NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
514314 | 2kw0 | 16802 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 19 H1 THR 19 10.483 -13.484 -6.523 2 HA THR 19 HA THR 19 11.577 -11.334 -4.809 3 HB THR 19 HB THR 19 13.249 -11.153 -6.698 4 HG1 THR 19 HG1 THR 19 12.606 -12.332 -8.369 5 HG21 THR 19 HG21 THR 19 14.645 -12.996 -5.899 6 HG22 THR 19 HG22 THR 19 13.238 -13.739 -5.136 7 HG23 THR 19 HG23 THR 19 13.836 -12.181 -4.560 8 H ILE 20 H ILE 20 10.756 -9.397 -5.235 9 HA ILE 20 HA ILE 20 8.878 -9.221 -7.444 10 HB ILE 20 HB ILE 20 7.856 -8.528 -5.478 11 HG12 ILE 20 HG12 ILE 20 7.211 -6.251 -5.811 12 HG13 ILE 20 HG13 ILE 20 8.732 -5.863 -6.595 13 HG21 ILE 20 HG21 ILE 20 10.247 -6.812 -4.862 14 HG22 ILE 20 HG22 ILE 20 9.804 -8.327 -4.074 15 HG23 ILE 20 HG23 ILE 20 8.775 -6.906 -3.896 16 HD11 ILE 20 HD11 ILE 20 6.738 -7.785 -7.750 17 HD12 ILE 20 HD12 ILE 20 8.135 -7.040 -8.537 18 HD13 ILE 20 HD13 ILE 20 6.734 -6.055 -8.092 19 H ASP 21 H ASP 21 10.829 -6.496 -6.198 20 HA ASP 21 HA ASP 21 11.921 -6.062 -8.845 21 HB2 ASP 21 HB2 ASP 21 9.476 -5.195 -8.734 22 HB3 ASP 21 HB3 ASP 21 10.128 -3.922 -7.713 23 H VAL 22 H VAL 22 12.197 -3.149 -8.275 24 HA VAL 22 HA VAL 22 14.451 -3.114 -6.538 25 HB VAL 22 HB VAL 22 14.006 -1.432 -8.354 26 HG11 VAL 22 HG11 VAL 22 11.592 -1.110 -7.793 27 HG12 VAL 22 HG12 VAL 22 12.501 0.385 -8.017 28 HG13 VAL 22 HG13 VAL 22 12.102 -0.171 -6.390 29 HG21 VAL 22 HG21 VAL 22 15.681 -1.015 -6.636 30 HG22 VAL 22 HG22 VAL 22 14.450 -0.286 -5.603 31 HG23 VAL 22 HG23 VAL 22 14.889 0.482 -7.129 32 H LEU 23 H LEU 23 11.127 -3.176 -6.062 33 HA LEU 23 HA LEU 23 10.879 -1.760 -3.618 34 HB2 LEU 23 HB2 LEU 23 9.081 -4.043 -4.316 35 HB3 LEU 23 HB3 LEU 23 8.680 -2.500 -3.588 36 HG LEU 23 HG LEU 23 9.326 -2.996 -6.493 37 HD11 LEU 23 HD11 LEU 23 6.757 -2.216 -5.135 38 HD12 LEU 23 HD12 LEU 23 7.133 -3.790 -5.832 39 HD13 LEU 23 HD13 LEU 23 7.006 -2.373 -6.872 40 HD21 LEU 23 HD21 LEU 23 10.167 -0.841 -6.007 41 HD22 LEU 23 HD22 LEU 23 8.765 -0.436 -5.017 42 HD23 LEU 23 HD23 LEU 23 8.591 -0.604 -6.761 43 H GLN 24 H GLN 24 12.712 -2.571 -2.456 44 HA GLN 24 HA GLN 24 12.442 -5.326 -1.477 45 HB2 GLN 24 HB2 GLN 24 14.847 -3.507 -1.587 46 HB3 GLN 24 HB3 GLN 24 14.842 -5.091 -0.827 47 HG2 GLN 24 HG2 GLN 24 14.275 -4.558 -3.732 48 HG3 GLN 24 HG3 GLN 24 15.816 -5.113 -3.074 49 HE21 GLN 24 HE22 GLN 24 12.539 -5.973 -3.815 50 HE22 GLN 24 HE21 GLN 24 12.723 -7.682 -3.604 51 H PHE 25 H PHE 25 12.425 -5.751 0.681 52 HA PHE 25 HA PHE 25 12.126 -3.449 2.485 53 HB2 PHE 25 HB2 PHE 25 11.478 -6.325 3.147 54 HB3 PHE 25 HB3 PHE 25 10.890 -4.860 3.946 55 HD1 PHE 25 HD1 PHE 25 9.494 -3.252 2.415 56 HD2 PHE 25 HD2 PHE 25 10.117 -7.390 1.636 57 HE1 PHE 25 HE1 PHE 25 7.497 -3.279 0.981 58 HE2 PHE 25 HE2 PHE 25 8.122 -7.424 0.198 59 HZ PHE 25 HZ PHE 25 6.813 -5.366 -0.134 60 H LYS 26 H LYS 26 13.580 -3.020 3.923 61 HA LYS 26 HA LYS 26 16.151 -3.993 3.826 62 HB2 LYS 26 HB2 LYS 26 16.047 -1.913 4.743 63 HB3 LYS 26 HB3 LYS 26 14.540 -2.239 5.571 64 HG2 LYS 26 HG2 LYS 26 16.620 -3.792 6.755 65 HG3 LYS 26 HG3 LYS 26 17.111 -2.093 6.664 66 HD2 LYS 26 HD2 LYS 26 14.413 -2.952 7.671 67 HD3 LYS 26 HD3 LYS 26 15.817 -2.806 8.743 68 HE2 LYS 26 HE2 LYS 26 14.424 -0.660 7.162 69 HE3 LYS 26 HE3 LYS 26 14.583 -0.789 8.906 70 HZ1 LYS 26 HZ1 LYS 26 16.089 0.860 8.085 71 HZ2 LYS 26 HZ2 LYS 26 16.779 -0.225 6.985 72 HZ3 LYS 26 HZ3 LYS 26 16.987 -0.456 8.652 73 H ASP 27 H ASP 27 13.454 -5.004 5.751 74 HA ASP 27 HA ASP 27 14.674 -7.503 6.369 75 HB2 ASP 27 HB2 ASP 27 14.371 -7.267 8.858 76 HB3 ASP 27 HB3 ASP 27 15.689 -6.312 8.194 77 H GLU 28 H GLU 28 12.884 -8.198 8.499 78 HA GLU 28 HA GLU 28 10.455 -8.477 6.989 79 HB2 GLU 28 HB2 GLU 28 9.587 -9.713 8.889 80 HB3 GLU 28 HB3 GLU 28 11.219 -10.256 8.531 81 HG2 GLU 28 HG2 GLU 28 10.636 -8.230 10.667 82 HG3 GLU 28 HG3 GLU 28 10.595 -9.964 10.970 83 H ALA 29 H ALA 29 11.686 -6.360 9.437 84 HA ALA 29 HA ALA 29 9.238 -5.305 10.370 85 HB1 ALA 29 HB1 ALA 29 10.523 -3.589 11.391 86 HB2 ALA 29 HB2 ALA 29 11.866 -3.840 10.269 87 HB3 ALA 29 HB3 ALA 29 11.479 -5.070 11.481 88 H GLN 30 H GLN 30 11.417 -4.297 7.735 89 HA GLN 30 HA GLN 30 9.937 -1.987 7.029 90 HB2 GLN 30 HB2 GLN 30 12.300 -2.883 6.131 91 HB3 GLN 30 HB3 GLN 30 11.279 -3.550 4.865 92 HG2 GLN 30 HG2 GLN 30 10.289 -1.209 4.714 93 HG3 GLN 30 HG3 GLN 30 11.705 -0.686 5.609 94 HE21 GLN 30 HE22 GLN 30 10.440 -1.747 2.609 95 HE22 GLN 30 HE21 GLN 30 11.886 -1.559 1.674 96 H GLU 31 H GLU 31 9.576 -5.352 6.398 97 HA GLU 31 HA GLU 31 7.544 -5.074 4.392 98 HB2 GLU 31 HB2 GLU 31 8.992 -7.006 4.380 99 HB3 GLU 31 HB3 GLU 31 8.519 -7.420 6.015 100 HG2 GLU 31 HG2 GLU 31 6.227 -7.837 5.214 101 HG3 GLU 31 HG3 GLU 31 6.770 -7.492 3.572 102 H GLN 32 H GLN 32 7.685 -5.331 7.871 103 HA GLN 32 HA GLN 32 4.894 -5.755 8.313 104 HB2 GLN 32 HB2 GLN 32 6.961 -4.411 10.075 105 HB3 GLN 32 HB3 GLN 32 5.370 -4.943 10.602 106 HG2 GLN 32 HG2 GLN 32 6.045 -7.271 10.007 107 HG3 GLN 32 HG3 GLN 32 7.666 -6.656 9.695 108 HE21 GLN 32 HE22 GLN 32 5.265 -7.306 12.130 109 HE22 GLN 32 HE21 GLN 32 6.339 -7.208 13.484 110 H GLN 33 H GLN 33 6.973 -2.905 7.964 111 HA GLN 33 HA GLN 33 4.994 -0.939 8.285 112 HB2 GLN 33 HB2 GLN 33 7.397 -0.413 8.098 113 HB3 GLN 33 HB3 GLN 33 7.369 -0.901 6.411 114 HG2 GLN 33 HG2 GLN 33 5.855 0.900 5.876 115 HG3 GLN 33 HG3 GLN 33 5.765 1.357 7.582 116 HE21 GLN 33 HE22 GLN 33 6.640 2.943 5.315 117 HE22 GLN 33 HE21 GLN 33 8.255 3.437 5.677 118 H PHE 34 H PHE 34 6.123 -2.666 5.420 119 HA PHE 34 HA PHE 34 4.317 -1.667 3.547 120 HB2 PHE 34 HB2 PHE 34 6.175 -2.984 2.818 121 HB3 PHE 34 HB3 PHE 34 5.694 -4.342 3.826 122 HD1 PHE 34 HD1 PHE 34 4.916 -2.458 0.758 123 HD2 PHE 34 HD2 PHE 34 4.126 -5.943 3.066 124 HE1 PHE 34 HE1 PHE 34 3.757 -3.462 -1.163 125 HE2 PHE 34 HE2 PHE 34 2.957 -6.953 1.149 126 HZ PHE 34 HZ PHE 34 2.775 -5.712 -0.968 127 H ARG 35 H ARG 35 4.074 -4.335 5.808 128 HA ARG 35 HA ARG 35 1.664 -5.497 5.211 129 HB2 ARG 35 HB2 ARG 35 3.507 -5.679 7.198 130 HB3 ARG 35 HB3 ARG 35 2.185 -4.933 8.072 131 HG2 ARG 35 HG2 ARG 35 2.163 -7.314 8.351 132 HG3 ARG 35 HG3 ARG 35 0.735 -6.797 7.449 133 HD2 ARG 35 HD2 ARG 35 3.104 -7.505 5.855 134 HD3 ARG 35 HD3 ARG 35 2.319 -8.838 6.705 135 HE ARG 35 HE ARG 35 0.304 -7.396 5.455 136 HH11 ARG 35 HH11 ARG 35 3.128 -9.254 4.473 137 HH12 ARG 35 HH12 ARG 35 2.401 -9.797 2.989 138 HH21 ARG 35 HH22 ARG 35 -0.640 -8.132 3.536 139 HH22 ARG 35 HH21 ARG 35 0.238 -9.191 2.466 140 H GLN 36 H GLN 36 2.210 -2.706 7.356 141 HA GLN 36 HA GLN 36 -0.569 -2.195 7.741 142 HB2 GLN 36 HB2 GLN 36 1.842 -0.431 8.210 143 HB3 GLN 36 HB3 GLN 36 0.207 -0.052 8.735 144 HG2 GLN 36 HG2 GLN 36 0.197 -1.943 10.222 145 HG3 GLN 36 HG3 GLN 36 1.774 -2.462 9.623 146 HE21 GLN 36 HE22 GLN 36 0.881 -1.705 12.327 147 HE22 GLN 36 HE21 GLN 36 1.949 -0.429 12.832 148 H LEU 37 H LEU 37 1.931 -0.763 5.697 149 HA LEU 37 HA LEU 37 0.409 1.446 4.879 150 HB2 LEU 37 HB2 LEU 37 2.773 0.109 3.562 151 HB3 LEU 37 HB3 LEU 37 2.105 1.654 3.065 152 HG LEU 37 HG LEU 37 3.450 0.998 5.677 153 HD11 LEU 37 HD11 LEU 37 5.032 1.328 3.939 154 HD12 LEU 37 HD12 LEU 37 5.002 2.795 4.919 155 HD13 LEU 37 HD13 LEU 37 4.182 2.760 3.359 156 HD21 LEU 37 HD21 LEU 37 3.164 3.474 6.105 157 HD22 LEU 37 HD22 LEU 37 1.722 2.475 6.283 158 HD23 LEU 37 HD23 LEU 37 1.943 3.453 4.833 159 H THR 38 H THR 38 0.390 -1.850 3.786 160 HA THR 38 HA THR 38 -1.202 -1.082 1.461 161 HB THR 38 HB THR 38 -1.164 -3.578 0.958 162 HG1 THR 38 HG1 THR 38 0.961 -3.503 2.867 163 HG21 THR 38 HG21 THR 38 1.250 -1.799 0.873 164 HG22 THR 38 HG22 THR 38 0.139 -2.225 -0.423 165 HG23 THR 38 HG23 THR 38 1.282 -3.419 0.186 166 H GLU 39 H GLU 39 -1.560 -2.539 4.647 167 HA GLU 39 HA GLU 39 -4.208 -3.540 3.888 168 HB2 GLU 39 HB2 GLU 39 -2.491 -4.076 6.303 169 HB3 GLU 39 HB3 GLU 39 -4.148 -4.651 6.155 170 HG2 GLU 39 HG2 GLU 39 -3.514 -5.855 4.100 171 HG3 GLU 39 HG3 GLU 39 -1.849 -5.329 4.332 172 H GLU 40 H GLU 40 -2.906 -0.792 5.316 173 HA GLU 40 HA GLU 40 -5.318 -0.206 6.835 174 HB2 GLU 40 HB2 GLU 40 -2.835 1.401 6.256 175 HB3 GLU 40 HB3 GLU 40 -4.239 2.093 7.054 176 HG2 GLU 40 HG2 GLU 40 -4.010 0.223 8.754 177 HG3 GLU 40 HG3 GLU 40 -2.428 -0.086 8.038 178 H LEU 41 H LEU 41 -4.514 -0.282 3.671 179 HA LEU 41 HA LEU 41 -6.010 2.091 2.887 180 HB2 LEU 41 HB2 LEU 41 -3.956 1.686 1.699 181 HB3 LEU 41 HB3 LEU 41 -4.448 0.055 1.299 182 HG LEU 41 HG LEU 41 -6.093 0.837 -0.244 183 HD11 LEU 41 HD11 LEU 41 -6.989 2.702 0.947 184 HD12 LEU 41 HD12 LEU 41 -6.412 3.277 -0.625 185 HD13 LEU 41 HD13 LEU 41 -5.457 3.577 0.828 186 HD21 LEU 41 HD21 LEU 41 -3.943 0.737 -1.217 187 HD22 LEU 41 HD22 LEU 41 -3.450 2.247 -0.450 188 HD23 LEU 41 HD23 LEU 41 -4.645 2.266 -1.749 189 H ARG 42 H ARG 42 -7.996 2.061 1.988 190 HA ARG 42 HA ARG 42 -9.487 -0.400 2.287 191 HB2 ARG 42 HB2 ARG 42 -10.073 2.289 2.707 192 HB3 ARG 42 HB3 ARG 42 -10.978 1.871 1.260 193 HG2 ARG 42 HG2 ARG 42 -11.850 -0.123 2.603 194 HG3 ARG 42 HG3 ARG 42 -11.221 0.729 4.017 195 HD2 ARG 42 HD2 ARG 42 -12.538 2.744 3.144 196 HD3 ARG 42 HD3 ARG 42 -13.370 1.591 2.108 197 HE ARG 42 HE ARG 42 -13.439 0.667 4.768 198 HH11 ARG 42 HH11 ARG 42 -14.752 3.214 2.761 199 HH12 ARG 42 HH12 ARG 42 -16.205 3.391 3.692 200 HH21 ARG 42 HH22 ARG 42 -15.354 0.902 6.019 201 HH22 ARG 42 HH21 ARG 42 -16.559 2.059 5.533 202 H CYS 43 H CYS 43 -9.891 -1.727 0.616 203 HA CYS 43 HA CYS 43 -10.089 -0.556 -2.070 204 HB2 CYS 43 HB2 CYS 43 -9.981 -2.917 -2.878 205 HB3 CYS 43 HB3 CYS 43 -8.535 -2.414 -2.009 206 HG CYS 43 HG CYS 43 -9.107 -5.087 -1.387 207 HA PRO 44 HA PRO 44 -14.446 -0.747 -1.542 208 HB2 PRO 44 HB3 PRO 44 -14.698 -0.515 -4.448 209 HB3 PRO 44 HB2 PRO 44 -15.097 0.658 -3.192 210 HG2 PRO 44 HG2 PRO 44 -13.013 1.022 -4.854 211 HG3 PRO 44 HG3 PRO 44 -12.962 1.552 -3.158 212 HD2 PRO 44 HD2 PRO 44 -11.816 -0.937 -4.395 213 HD3 PRO 44 HD3 PRO 44 -11.059 0.204 -3.258 214 H LYS 45 H LYS 45 -13.441 -3.352 -1.517 215 HA LYS 45 HA LYS 45 -15.766 -4.704 -2.578 216 HB2 LYS 45 HB2 LYS 45 -14.281 -4.963 -4.467 217 HB3 LYS 45 HB3 LYS 45 -12.983 -5.528 -3.423 218 HG2 LYS 45 HG2 LYS 45 -14.122 -7.549 -2.960 219 HG3 LYS 45 HG3 LYS 45 -15.606 -6.964 -3.708 220 HD2 LYS 45 HD2 LYS 45 -14.565 -6.994 -5.887 221 HD3 LYS 45 HD3 LYS 45 -13.010 -7.425 -5.170 222 HE2 LYS 45 HE2 LYS 45 -13.846 -9.554 -4.467 223 HE3 LYS 45 HE3 LYS 45 -15.490 -9.124 -4.932 224 HZ1 LYS 45 HZ1 LYS 45 -14.945 -9.242 -7.187 225 HZ2 LYS 45 HZ2 LYS 45 -14.210 -10.605 -6.499 226 HZ3 LYS 45 HZ3 LYS 45 -13.276 -9.242 -6.896 227 H CYS 46 H CYS 46 -16.510 -6.040 -1.117 228 HA CYS 46 HA CYS 46 -15.296 -6.332 1.392 229 HB2 CYS 46 HB2 CYS 46 -17.540 -7.989 0.241 230 HB3 CYS 46 HB3 CYS 46 -17.178 -7.745 1.946 231 HG CYS 46 HG CYS 46 -18.936 -5.884 2.136 232 H GLN 47 H GLN 47 -15.084 -8.261 -1.468 233 HA GLN 47 HA GLN 47 -13.678 -10.348 0.045 234 HB2 GLN 47 HB2 GLN 47 -15.052 -10.435 -2.640 235 HB3 GLN 47 HB3 GLN 47 -13.995 -11.720 -2.063 236 HG2 GLN 47 HG2 GLN 47 -16.462 -10.760 -0.631 237 HG3 GLN 47 HG3 GLN 47 -16.394 -12.171 -1.690 238 HE21 GLN 47 HE22 GLN 47 -15.426 -10.833 1.378 239 HE22 GLN 47 HE21 GLN 47 -14.946 -12.332 2.098 240 H ASN 48 H ASN 48 -12.050 -8.458 -0.009 241 HA ASN 48 HA ASN 48 -9.966 -9.280 -1.790 242 HB2 ASN 48 HB2 ASN 48 -11.330 -7.633 -3.171 243 HB3 ASN 48 HB3 ASN 48 -10.861 -6.396 -2.011 244 HD21 ASN 48 HD22 ASN 48 -9.768 -8.520 -4.539 245 HD22 ASN 48 HD21 ASN 48 -8.251 -7.741 -4.808 246 H ASN 49 H ASN 49 -7.986 -8.861 -0.864 247 HA ASN 49 HA ASN 49 -8.145 -7.777 1.842 248 HB2 ASN 49 HB2 ASN 49 -7.192 -10.047 1.486 249 HB3 ASN 49 HB3 ASN 49 -5.890 -9.327 0.547 250 HD21 ASN 49 HD22 ASN 49 -7.409 -9.341 3.722 251 HD22 ASN 49 HD21 ASN 49 -5.970 -8.955 4.611 252 H SER 50 H SER 50 -8.338 -5.623 0.814 253 HA SER 50 HA SER 50 -7.532 -3.584 0.250 254 HB2 SER 50 HB2 SER 50 -5.198 -4.636 1.863 255 HB3 SER 50 HB3 SER 50 -5.383 -2.950 1.376 256 HG SER 50 HG SER 50 -6.953 -2.684 2.789 257 H ILE 51 H ILE 51 -4.370 -3.414 0.021 258 HA ILE 51 HA ILE 51 -4.302 -4.434 -2.743 259 HB ILE 51 HB ILE 51 -2.705 -2.698 -3.300 260 HG12 ILE 51 HG12 ILE 51 -3.081 -1.557 -0.529 261 HG13 ILE 51 HG13 ILE 51 -1.740 -2.622 -0.932 262 HG21 ILE 51 HG21 ILE 51 -5.159 -2.227 -3.416 263 HG22 ILE 51 HG22 ILE 51 -4.158 -0.788 -3.226 264 HG23 ILE 51 HG23 ILE 51 -5.029 -1.443 -1.841 265 HD11 ILE 51 HD11 ILE 51 -2.310 -0.028 -2.336 266 HD12 ILE 51 HD12 ILE 51 -0.884 -1.052 -2.508 267 HD13 ILE 51 HD13 ILE 51 -1.188 -0.209 -0.987 268 H ALA 52 H ALA 52 -3.480 -5.457 0.079 269 HA ALA 52 HA ALA 52 -0.637 -5.482 0.118 270 HB1 ALA 52 HB1 ALA 52 -2.584 -7.174 1.675 271 HB2 ALA 52 HB2 ALA 52 -1.968 -5.593 2.159 272 HB3 ALA 52 HB3 ALA 52 -0.870 -6.966 2.031 273 H ASP 53 H ASP 53 -2.785 -8.323 0.048 274 HA ASP 53 HA ASP 53 -0.741 -9.659 -1.598 275 HB2 ASP 53 HB2 ASP 53 -2.397 -10.596 0.687 276 HB3 ASP 53 HB3 ASP 53 -2.061 -11.756 -0.597 277 H SER 54 H SER 54 -3.355 -8.095 -2.185 278 HA SER 54 HA SER 54 -5.087 -9.949 -3.443 279 HB2 SER 54 HB2 SER 54 -4.753 -6.999 -4.067 280 HB3 SER 54 HB3 SER 54 -6.156 -8.008 -4.433 281 HG SER 54 HG SER 54 -6.405 -6.725 -2.508 282 H ASN 55 H ASN 55 -2.179 -8.332 -4.379 283 HA ASN 55 HA ASN 55 -0.760 -8.537 -6.125 284 HB2 ASN 55 HB2 ASN 55 -2.373 -11.034 -6.569 285 HB3 ASN 55 HB3 ASN 55 -0.973 -10.620 -7.555 286 HD21 ASN 55 HD22 ASN 55 -1.302 -12.920 -5.872 287 HD22 ASN 55 HD21 ASN 55 -0.050 -12.849 -4.678 288 H SER 56 H SER 56 -3.715 -7.532 -6.459 289 HA SER 56 HA SER 56 -4.422 -7.633 -9.129 290 HB2 SER 56 HB2 SER 56 -5.937 -6.718 -7.496 291 HB3 SER 56 HB3 SER 56 -4.816 -5.415 -7.114 292 HG SER 56 HG SER 56 -6.734 -5.232 -8.766 293 H MET 57 H MET 57 -3.894 -6.492 -10.931 294 HA MET 57 HA MET 57 -1.364 -5.605 -11.425 295 HB2 MET 57 HB2 MET 57 -3.628 -4.161 -12.741 296 HB3 MET 57 HB3 MET 57 -2.134 -4.750 -13.446 297 HG2 MET 57 HG2 MET 57 -3.141 -6.582 -14.118 298 HG3 MET 57 HG3 MET 57 -3.638 -6.953 -12.467 299 HE1 MET 57 HE1 MET 57 -7.008 -4.965 -12.205 300 HE2 MET 57 HE2 MET 57 -5.371 -4.723 -11.580 301 HE3 MET 57 HE3 MET 57 -6.137 -6.313 -11.473 302 H ILE 58 H ILE 58 -4.137 -3.592 -10.657 303 HA ILE 58 HA ILE 58 -2.627 -1.177 -10.595 304 HB ILE 58 HB ILE 58 -4.619 -0.187 -10.775 305 HG12 ILE 58 HG12 ILE 58 -6.599 -0.929 -9.208 306 HG13 ILE 58 HG13 ILE 58 -5.305 -1.681 -8.284 307 HG21 ILE 58 HG21 ILE 58 -5.508 -3.054 -10.865 308 HG22 ILE 58 HG22 ILE 58 -5.160 -1.960 -12.208 309 HG23 ILE 58 HG23 ILE 58 -6.593 -1.704 -11.215 310 HD11 ILE 58 HD11 ILE 58 -5.671 1.223 -8.944 311 HD12 ILE 58 HD12 ILE 58 -4.174 0.562 -8.291 312 HD13 ILE 58 HD13 ILE 58 -5.668 0.461 -7.354 313 H ALA 59 H ALA 59 -3.684 -3.527 -8.217 314 HA ALA 59 HA ALA 59 -3.247 -2.022 -5.879 315 HB1 ALA 59 HB1 ALA 59 -2.853 -4.992 -6.266 316 HB2 ALA 59 HB2 ALA 59 -4.368 -4.203 -5.822 317 HB3 ALA 59 HB3 ALA 59 -2.992 -4.158 -4.719 318 H THR 60 H THR 60 -1.075 -3.970 -7.864 319 HA THR 60 HA THR 60 1.244 -3.618 -6.297 320 HB THR 60 HB THR 60 0.943 -4.181 -9.249 321 HG1 THR 60 HG1 THR 60 0.883 -6.253 -8.641 322 HG21 THR 60 HG21 THR 60 3.159 -3.224 -8.640 323 HG22 THR 60 HG22 THR 60 3.247 -4.884 -9.234 324 HG23 THR 60 HG23 THR 60 3.381 -4.556 -7.504 325 H ASP 61 H ASP 61 -0.109 -1.763 -8.988 326 HA ASP 61 HA ASP 61 1.854 0.141 -9.388 327 HB2 ASP 61 HB2 ASP 61 -0.482 -0.114 -10.523 328 HB3 ASP 61 HB3 ASP 61 -1.049 0.923 -9.224 329 H LEU 62 H LEU 62 -0.736 0.111 -7.002 330 HA LEU 62 HA LEU 62 -0.080 2.572 -5.759 331 HB2 LEU 62 HB2 LEU 62 -1.535 0.217 -4.561 332 HB3 LEU 62 HB3 LEU 62 -1.629 1.882 -4.029 333 HG LEU 62 HG LEU 62 -2.685 0.771 -6.628 334 HD11 LEU 62 HD11 LEU 62 -3.946 0.220 -4.560 335 HD12 LEU 62 HD12 LEU 62 -4.851 1.199 -5.713 336 HD13 LEU 62 HD13 LEU 62 -4.151 1.947 -4.277 337 HD21 LEU 62 HD21 LEU 62 -3.584 2.996 -7.028 338 HD22 LEU 62 HD22 LEU 62 -1.825 3.046 -6.909 339 HD23 LEU 62 HD23 LEU 62 -2.814 3.586 -5.554 340 H ARG 63 H ARG 63 0.834 -0.777 -5.130 341 HA ARG 63 HA ARG 63 2.057 -0.328 -2.632 342 HB2 ARG 63 HB2 ARG 63 2.456 -2.496 -4.683 343 HB3 ARG 63 HB3 ARG 63 3.262 -2.493 -3.121 344 HG2 ARG 63 HG2 ARG 63 0.997 -2.377 -2.056 345 HG3 ARG 63 HG3 ARG 63 0.312 -2.650 -3.659 346 HD2 ARG 63 HD2 ARG 63 2.314 -4.476 -2.363 347 HD3 ARG 63 HD3 ARG 63 0.572 -4.693 -2.224 348 HE ARG 63 HE ARG 63 1.113 -4.515 -4.930 349 HH11 ARG 63 HH11 ARG 63 1.952 -6.653 -2.295 350 HH12 ARG 63 HH12 ARG 63 2.250 -8.025 -3.317 351 HH21 ARG 63 HH22 ARG 63 1.502 -6.321 -6.302 352 HH22 ARG 63 HH21 ARG 63 2.024 -7.825 -5.596 353 H GLN 64 H GLN 64 3.220 0.044 -5.908 354 HA GLN 64 HA GLN 64 5.946 0.403 -5.354 355 HB2 GLN 64 HB2 GLN 64 4.252 1.780 -7.434 356 HB3 GLN 64 HB3 GLN 64 6.008 1.707 -7.436 357 HG2 GLN 64 HG2 GLN 64 5.947 -0.681 -7.735 358 HG3 GLN 64 HG3 GLN 64 4.190 -0.685 -7.598 359 HE21 GLN 64 HE22 GLN 64 3.927 1.788 -9.110 360 HE22 GLN 64 HE21 GLN 64 4.191 1.374 -10.766 361 H LYS 65 H LYS 65 3.213 2.640 -5.279 362 HA LYS 65 HA LYS 65 4.634 4.957 -4.588 363 HB2 LYS 65 HB2 LYS 65 2.291 4.958 -5.314 364 HB3 LYS 65 HB3 LYS 65 1.821 4.181 -3.813 365 HG2 LYS 65 HG2 LYS 65 1.310 6.365 -3.349 366 HG3 LYS 65 HG3 LYS 65 2.960 6.285 -2.739 367 HD2 LYS 65 HD2 LYS 65 2.516 7.057 -5.584 368 HD3 LYS 65 HD3 LYS 65 2.212 8.248 -4.316 369 HE2 LYS 65 HE2 LYS 65 4.412 8.335 -3.685 370 HE3 LYS 65 HE3 LYS 65 4.748 6.709 -4.261 371 HZ1 LYS 65 HZ1 LYS 65 5.700 8.676 -5.556 372 HZ2 LYS 65 HZ2 LYS 65 4.130 8.876 -6.159 373 HZ3 LYS 65 HZ3 LYS 65 4.967 7.428 -6.436 374 H VAL 66 H VAL 66 3.092 2.464 -2.627 375 HA VAL 66 HA VAL 66 3.689 3.403 -0.082 376 HB VAL 66 HB VAL 66 3.447 0.563 -1.091 377 HG11 VAL 66 HG11 VAL 66 4.853 0.867 1.022 378 HG12 VAL 66 HG12 VAL 66 3.490 -0.248 1.098 379 HG13 VAL 66 HG13 VAL 66 3.348 1.367 1.795 380 HG21 VAL 66 HG21 VAL 66 1.257 0.659 -0.073 381 HG22 VAL 66 HG22 VAL 66 1.443 1.998 -1.206 382 HG23 VAL 66 HG23 VAL 66 1.577 2.286 0.527 383 H TYR 67 H TYR 67 5.735 1.554 -2.319 384 HA TYR 67 HA TYR 67 7.901 1.271 -0.500 385 HB2 TYR 67 HB2 TYR 67 7.788 -0.191 -2.417 386 HB3 TYR 67 HB3 TYR 67 7.837 1.178 -3.523 387 HD1 TYR 67 HD1 TYR 67 9.839 -0.601 -0.937 388 HD2 TYR 67 HD2 TYR 67 9.893 1.984 -4.318 389 HE1 TYR 67 HE1 TYR 67 12.291 -0.758 -1.012 390 HE2 TYR 67 HE2 TYR 67 12.345 1.831 -4.402 391 HH TYR 67 HH TYR 67 14.103 -0.484 -2.737 392 H GLU 68 H GLU 68 7.311 3.569 -3.157 393 HA GLU 68 HA GLU 68 9.650 5.048 -2.950 394 HB2 GLU 68 HB2 GLU 68 6.906 6.126 -3.613 395 HB3 GLU 68 HB3 GLU 68 8.443 6.868 -4.030 396 HG2 GLU 68 HG2 GLU 68 8.957 4.853 -5.397 397 HG3 GLU 68 HG3 GLU 68 7.315 4.293 -5.084 398 H LEU 69 H LEU 69 6.559 5.551 -1.335 399 HA LEU 69 HA LEU 69 7.221 7.917 0.002 400 HB2 LEU 69 HB2 LEU 69 5.249 5.751 0.685 401 HB3 LEU 69 HB3 LEU 69 5.307 7.309 1.478 402 HG LEU 69 HG LEU 69 4.768 6.867 -1.459 403 HD11 LEU 69 HD11 LEU 69 3.020 6.218 0.337 404 HD12 LEU 69 HD12 LEU 69 2.527 7.191 -1.046 405 HD13 LEU 69 HD13 LEU 69 2.817 7.959 0.516 406 HD21 LEU 69 HD21 LEU 69 4.528 9.157 -1.704 407 HD22 LEU 69 HD22 LEU 69 5.930 9.039 -0.643 408 HD23 LEU 69 HD23 LEU 69 4.348 9.428 0.028 409 H MET 70 H MET 70 7.855 4.575 0.830 410 HA MET 70 HA MET 70 8.558 4.867 3.521 411 HB2 MET 70 HB2 MET 70 9.748 3.034 1.429 412 HB3 MET 70 HB3 MET 70 10.097 2.918 3.146 413 HG2 MET 70 HG2 MET 70 7.709 2.487 3.567 414 HG3 MET 70 HG3 MET 70 7.419 2.519 1.828 415 HE1 MET 70 HE1 MET 70 7.019 -1.247 2.438 416 HE2 MET 70 HE2 MET 70 6.314 0.255 1.843 417 HE3 MET 70 HE3 MET 70 6.527 0.008 3.577 418 H GLN 71 H GLN 71 10.597 5.107 0.622 419 HA GLN 71 HA GLN 71 12.903 5.867 2.158 420 HB2 GLN 71 HB2 GLN 71 13.827 6.298 -0.231 421 HB3 GLN 71 HB3 GLN 71 13.508 4.648 0.284 422 HG2 GLN 71 HG2 GLN 71 11.380 4.679 -0.902 423 HG3 GLN 71 HG3 GLN 71 11.673 6.343 -1.393 424 HE21 GLN 71 HE22 GLN 71 11.553 5.821 -3.558 425 HE22 GLN 71 HE21 GLN 71 12.791 4.931 -4.383 426 H GLU 72 H GLU 72 10.353 7.526 0.452 427 HA GLU 72 HA GLU 72 11.587 10.052 0.246 428 HB2 GLU 72 HB2 GLU 72 8.663 9.382 0.629 429 HB3 GLU 72 HB3 GLU 72 9.273 10.981 0.227 430 HG2 GLU 72 HG2 GLU 72 10.274 9.962 -1.836 431 HG3 GLU 72 HG3 GLU 72 9.389 8.492 -1.436 432 H GLY 73 H GLY 73 9.933 8.439 2.892 433 HA2 GLY 73 HA2 GLY 73 10.716 8.901 5.137 434 HA3 GLY 73 HA3 GLY 73 10.935 10.581 4.661 435 H LYS 74 H LYS 74 8.155 8.675 3.779 436 HA LYS 74 HA LYS 74 6.397 10.605 5.005 437 HB2 LYS 74 HB2 LYS 74 5.625 7.993 3.711 438 HB3 LYS 74 HB3 LYS 74 4.634 9.424 3.926 439 HG2 LYS 74 HG2 LYS 74 7.104 9.438 2.211 440 HG3 LYS 74 HG3 LYS 74 5.511 8.990 1.598 441 HD2 LYS 74 HD2 LYS 74 4.635 11.115 1.990 442 HD3 LYS 74 HD3 LYS 74 5.980 11.583 3.036 443 HE2 LYS 74 HE2 LYS 74 7.468 11.418 1.061 444 HE3 LYS 74 HE3 LYS 74 6.049 11.115 0.059 445 HZ1 LYS 74 HZ1 LYS 74 5.178 13.279 0.704 446 HZ2 LYS 74 HZ2 LYS 74 6.709 13.441 -0.013 447 HZ3 LYS 74 HZ3 LYS 74 6.539 13.565 1.669 448 H SER 75 H SER 75 4.682 9.958 6.455 449 HA SER 75 HA SER 75 5.502 7.928 8.392 450 HB2 SER 75 HB2 SER 75 3.378 10.081 8.493 451 HB3 SER 75 HB3 SER 75 3.708 8.945 9.805 452 HG SER 75 HG SER 75 5.410 10.958 8.741 453 H LYS 76 H LYS 76 3.571 6.595 9.323 454 HA LYS 76 HA LYS 76 2.692 4.901 7.310 455 HB2 LYS 76 HB2 LYS 76 1.955 5.282 10.149 456 HB3 LYS 76 HB3 LYS 76 0.818 4.383 9.155 457 HG2 LYS 76 HG2 LYS 76 2.238 2.799 10.162 458 HG3 LYS 76 HG3 LYS 76 2.731 2.905 8.478 459 HD2 LYS 76 HD2 LYS 76 4.108 4.606 10.498 460 HD3 LYS 76 HD3 LYS 76 4.503 2.891 10.418 461 HE2 LYS 76 HE2 LYS 76 5.070 3.141 8.054 462 HE3 LYS 76 HE3 LYS 76 4.663 4.857 8.130 463 HZ1 LYS 76 HZ1 LYS 76 6.420 5.151 9.778 464 HZ2 LYS 76 HZ2 LYS 76 7.048 4.527 8.332 465 HZ3 LYS 76 HZ3 LYS 76 6.824 3.510 9.673 466 H LYS 77 H LYS 77 0.690 7.270 9.060 467 HA LYS 77 HA LYS 77 -1.568 6.912 7.356 468 HB2 LYS 77 HB2 LYS 77 -1.045 9.381 8.996 469 HB3 LYS 77 HB3 LYS 77 -2.588 8.649 8.579 470 HG2 LYS 77 HG2 LYS 77 -0.538 7.530 10.468 471 HG3 LYS 77 HG3 LYS 77 -2.070 8.284 10.914 472 HD2 LYS 77 HD2 LYS 77 -3.276 6.495 9.738 473 HD3 LYS 77 HD3 LYS 77 -1.733 5.745 9.319 474 HE2 LYS 77 HE2 LYS 77 -1.232 5.371 11.649 475 HE3 LYS 77 HE3 LYS 77 -2.680 6.249 12.135 476 HZ1 LYS 77 HZ1 LYS 77 -4.046 4.552 11.167 477 HZ2 LYS 77 HZ2 LYS 77 -2.941 3.818 12.220 478 HZ3 LYS 77 HZ3 LYS 77 -2.698 3.738 10.541 479 H GLU 78 H GLU 78 1.248 8.901 7.284 480 HA GLU 78 HA GLU 78 0.402 10.762 5.323 481 HB2 GLU 78 HB2 GLU 78 2.315 11.273 6.664 482 HB3 GLU 78 HB3 GLU 78 3.136 9.803 6.161 483 HG2 GLU 78 HG2 GLU 78 4.182 11.528 4.996 484 HG3 GLU 78 HG3 GLU 78 3.119 10.751 3.830 485 H ILE 79 H ILE 79 2.096 7.631 5.092 486 HA ILE 79 HA ILE 79 2.456 7.591 2.315 487 HB ILE 79 HB ILE 79 2.239 5.417 4.363 488 HG12 ILE 79 HG12 ILE 79 4.402 4.970 2.679 489 HG13 ILE 79 HG13 ILE 79 4.307 6.723 2.774 490 HG21 ILE 79 HG21 ILE 79 1.011 4.884 2.098 491 HG22 ILE 79 HG22 ILE 79 2.036 3.680 2.882 492 HG23 ILE 79 HG23 ILE 79 2.658 4.623 1.524 493 HD11 ILE 79 HD11 ILE 79 4.385 4.926 5.188 494 HD12 ILE 79 HD12 ILE 79 4.610 6.673 5.139 495 HD13 ILE 79 HD13 ILE 79 5.823 5.610 4.431 496 H VAL 80 H VAL 80 -0.237 6.289 4.254 497 HA VAL 80 HA VAL 80 -1.727 5.493 1.985 498 HB VAL 80 HB VAL 80 -2.208 4.386 4.036 499 HG11 VAL 80 HG11 VAL 80 -3.022 7.058 5.147 500 HG12 VAL 80 HG12 VAL 80 -1.596 6.132 5.609 501 HG13 VAL 80 HG13 VAL 80 -3.207 5.509 5.967 502 HG21 VAL 80 HG21 VAL 80 -4.082 4.590 2.544 503 HG22 VAL 80 HG22 VAL 80 -4.482 6.161 3.239 504 HG23 VAL 80 HG23 VAL 80 -4.645 4.699 4.214 505 H ASP 81 H ASP 81 -1.653 8.466 3.876 506 HA ASP 81 HA ASP 81 -3.889 9.692 2.666 507 HB2 ASP 81 HB2 ASP 81 -2.901 10.613 4.687 508 HB3 ASP 81 HB3 ASP 81 -1.392 10.932 3.841 509 H TYR 82 H TYR 82 -0.497 9.525 1.792 510 HA TYR 82 HA TYR 82 -0.572 11.226 -0.444 511 HB2 TYR 82 HB2 TYR 82 1.422 9.963 0.793 512 HB3 TYR 82 HB3 TYR 82 1.150 8.792 -0.488 513 HD1 TYR 82 HD1 TYR 82 2.258 12.194 0.282 514 HD2 TYR 82 HD2 TYR 82 1.664 9.326 -2.805 515 HE1 TYR 82 HE1 TYR 82 3.625 13.555 -1.235 516 HE2 TYR 82 HE2 TYR 82 3.033 10.683 -4.334 517 HH TYR 82 HH TYR 82 4.927 13.340 -3.222 518 H MET 83 H MET 83 -1.176 7.799 0.008 519 HA MET 83 HA MET 83 -1.723 7.106 -2.655 520 HB2 MET 83 HB2 MET 83 -2.846 5.971 -0.082 521 HB3 MET 83 HB3 MET 83 -3.068 5.240 -1.664 522 HG2 MET 83 HG2 MET 83 -0.275 5.751 -1.047 523 HG3 MET 83 HG3 MET 83 -1.056 4.686 0.117 524 HE1 MET 83 HE1 MET 83 -0.961 3.834 -4.413 525 HE2 MET 83 HE2 MET 83 -0.174 5.232 -3.683 526 HE3 MET 83 HE3 MET 83 -1.933 5.110 -3.676 527 H VAL 84 H VAL 84 -3.921 8.171 -0.041 528 HA VAL 84 HA VAL 84 -6.205 7.920 -1.739 529 HB VAL 84 HB VAL 84 -7.499 8.927 0.082 530 HG11 VAL 84 HG11 VAL 84 -5.500 6.966 1.163 531 HG12 VAL 84 HG12 VAL 84 -6.829 6.535 0.086 532 HG13 VAL 84 HG13 VAL 84 -7.166 7.198 1.686 533 HG21 VAL 84 HG21 VAL 84 -6.485 9.648 2.149 534 HG22 VAL 84 HG22 VAL 84 -5.800 10.580 0.823 535 HG23 VAL 84 HG23 VAL 84 -4.875 9.265 1.537 536 H ALA 85 H ALA 85 -4.082 10.572 -0.911 537 HA ALA 85 HA ALA 85 -5.772 12.626 -1.924 538 HB1 ALA 85 HB1 ALA 85 -3.531 13.895 -2.010 539 HB2 ALA 85 HB2 ALA 85 -2.859 12.458 -1.232 540 HB3 ALA 85 HB3 ALA 85 -4.146 13.376 -0.442 541 H ARG 86 H ARG 86 -3.192 10.661 -3.337 542 HA ARG 86 HA ARG 86 -3.411 12.155 -5.842 543 HB2 ARG 86 HB2 ARG 86 -1.383 10.226 -4.764 544 HB3 ARG 86 HB3 ARG 86 -1.401 10.661 -6.465 545 HG2 ARG 86 HG2 ARG 86 0.190 12.063 -5.465 546 HG3 ARG 86 HG3 ARG 86 -1.239 13.073 -5.692 547 HD2 ARG 86 HD2 ARG 86 -1.866 12.653 -3.343 548 HD3 ARG 86 HD3 ARG 86 -0.384 11.726 -3.134 549 HE ARG 86 HE ARG 86 0.351 14.230 -4.102 550 HH11 ARG 86 HH11 ARG 86 -1.146 12.874 -1.237 551 HH12 ARG 86 HH12 ARG 86 -0.610 14.147 -0.186 552 HH21 ARG 86 HH22 ARG 86 1.105 15.889 -2.709 553 HH22 ARG 86 HH21 ARG 86 0.678 15.857 -1.023 554 H TYR 87 H TYR 87 -4.221 9.075 -4.481 555 HA TYR 87 HA TYR 87 -5.074 8.111 -7.132 556 HB2 TYR 87 HB2 TYR 87 -3.941 6.432 -4.888 557 HB3 TYR 87 HB3 TYR 87 -4.449 5.849 -6.468 558 HD1 TYR 87 HD2 TYR 87 -3.161 6.693 -8.519 559 HD2 TYR 87 HD1 TYR 87 -1.746 7.194 -4.536 560 HE1 TYR 87 HE2 TYR 87 -0.890 7.078 -9.377 561 HE2 TYR 87 HE1 TYR 87 0.539 7.575 -5.386 562 HH TYR 87 HH TYR 87 1.181 8.173 -8.669 563 H GLY 88 H GLY 88 -6.534 9.551 -5.032 564 HA2 GLY 88 HA2 GLY 88 -8.074 7.700 -3.502 565 HA3 GLY 88 HA3 GLY 88 -8.376 9.420 -3.662 566 H ASN 89 H ASN 89 -8.192 7.732 -6.625 567 HA ASN 89 HA ASN 89 -11.028 7.946 -7.068 568 HB2 ASN 89 HB2 ASN 89 -9.318 8.367 -8.856 569 HB3 ASN 89 HB3 ASN 89 -8.924 6.655 -8.811 570 HD21 ASN 89 HD22 ASN 89 -9.979 8.392 -10.939 571 HD22 ASN 89 HD21 ASN 89 -11.418 7.611 -11.502 572 H PHE 90 H PHE 90 -8.647 5.409 -6.844 573 HA PHE 90 HA PHE 90 -10.757 3.407 -6.503 574 HB2 PHE 90 HB2 PHE 90 -9.091 2.845 -8.188 575 HB3 PHE 90 HB3 PHE 90 -7.790 3.070 -7.023 576 HD1 PHE 90 HD2 PHE 90 -10.730 0.967 -7.819 577 HD2 PHE 90 HD1 PHE 90 -7.105 1.321 -5.625 578 HE1 PHE 90 HE2 PHE 90 -10.882 -1.407 -7.192 579 HE2 PHE 90 HE1 PHE 90 -7.250 -1.050 -4.990 580 HZ PHE 90 HZ PHE 90 -9.141 -2.418 -5.776 581 H VAL 91 H VAL 91 -8.072 4.938 -4.859 582 HA VAL 91 HA VAL 91 -8.236 3.011 -2.676 583 HB VAL 91 HB VAL 91 -6.120 3.574 -2.079 584 HG11 VAL 91 HG11 VAL 91 -5.821 4.978 -4.699 585 HG12 VAL 91 HG12 VAL 91 -6.240 3.256 -4.653 586 HG13 VAL 91 HG13 VAL 91 -4.739 3.818 -3.911 587 HG21 VAL 91 HG21 VAL 91 -6.597 5.768 -1.267 588 HG22 VAL 91 HG22 VAL 91 -6.704 6.403 -2.910 589 HG23 VAL 91 HG23 VAL 91 -5.152 5.851 -2.278 590 H THR 92 H THR 92 -8.490 3.703 -0.483 591 HA THR 92 HA THR 92 -9.338 6.414 0.056 592 HB THR 92 HB THR 92 -11.245 4.080 0.437 593 HG1 THR 92 HG1 THR 92 -10.886 5.743 -1.611 594 HG21 THR 92 HG21 THR 92 -11.363 5.656 2.311 595 HG22 THR 92 HG22 THR 92 -12.823 5.723 1.324 596 HG23 THR 92 HG23 THR 92 -11.603 6.989 1.180 597 H TYR 93 H TYR 93 -9.090 6.961 2.254 598 HA TYR 93 HA TYR 93 -7.736 4.900 3.841 599 HB2 TYR 93 HB2 TYR 93 -6.564 7.020 3.613 600 HB3 TYR 93 HB3 TYR 93 -7.969 7.900 4.197 601 HD1 TYR 93 HD1 TYR 93 -5.938 4.988 5.401 602 HD2 TYR 93 HD2 TYR 93 -7.701 8.751 6.313 603 HE1 TYR 93 HE1 TYR 93 -5.054 4.842 7.689 604 HE2 TYR 93 HE2 TYR 93 -6.821 8.614 8.606 605 HH TYR 93 HH TYR 93 -6.077 6.856 10.202 606 H ASP 94 H ASP 94 -9.203 3.679 4.777 607 HA ASP 94 HA ASP 94 -10.800 4.724 6.905 608 HB2 ASP 94 HB2 ASP 94 -12.043 4.144 4.307 609 HB3 ASP 94 HB3 ASP 94 -12.794 3.294 5.653 610 HA PRO 95 HA PRO 95 -10.258 0.550 8.470 611 HB2 PRO 95 HB3 PRO 95 -12.892 0.003 9.216 612 HB3 PRO 95 HB2 PRO 95 -11.678 0.770 10.242 613 HG2 PRO 95 HG2 PRO 95 -13.853 2.015 8.620 614 HG3 PRO 95 HG3 PRO 95 -13.232 2.477 10.217 615 HD2 PRO 95 HD2 PRO 95 -12.565 3.856 8.027 616 HD3 PRO 95 HD3 PRO 95 -11.381 3.566 9.321 617 HA PRO 96 HA PRO 96 -11.467 -1.416 4.694 618 HB2 PRO 96 HB3 PRO 96 -10.033 -3.781 5.395 619 HB3 PRO 96 HB2 PRO 96 -9.509 -2.462 4.355 620 HG2 PRO 96 HG2 PRO 96 -8.438 -3.104 6.840 621 HG3 PRO 96 HG3 PRO 96 -8.185 -1.597 5.948 622 HD2 PRO 96 HD2 PRO 96 -9.968 -2.162 8.250 623 HD3 PRO 96 HD3 PRO 96 -9.172 -0.651 7.764 624 H LEU 97 H LEU 97 -11.583 -4.291 4.580 625 HA LEU 97 HA LEU 97 -14.310 -4.563 5.470 626 HB2 LEU 97 HB2 LEU 97 -12.460 -6.406 3.978 627 HB3 LEU 97 HB3 LEU 97 -14.110 -6.832 4.385 628 HG LEU 97 HG LEU 97 -14.150 -6.116 2.134 629 HD11 LEU 97 HD11 LEU 97 -16.018 -5.303 3.404 630 HD12 LEU 97 HD12 LEU 97 -15.549 -4.083 2.218 631 HD13 LEU 97 HD13 LEU 97 -15.104 -3.882 3.913 632 HD21 LEU 97 HD21 LEU 97 -12.017 -4.976 2.022 633 HD22 LEU 97 HD22 LEU 97 -12.646 -3.657 3.009 634 HD23 LEU 97 HD23 LEU 97 -13.294 -3.936 1.391 635 H THR 98 H THR 98 -11.658 -4.707 7.153 636 HA THR 98 HA THR 98 -11.817 -7.171 8.520 637 HB THR 98 HB THR 98 -9.807 -5.695 8.545 638 HG1 THR 98 HG1 THR 98 -10.773 -6.173 11.183 639 HG21 THR 98 HG21 THR 98 -9.706 -3.822 10.126 640 HG22 THR 98 HG22 THR 98 -11.433 -3.998 10.440 641 HG23 THR 98 HG23 THR 98 -10.871 -3.528 8.835 642 HA PRO 99 HA PRO 99 -15.589 -6.222 10.735 643 HB2 PRO 99 HB3 PRO 99 -15.697 -8.542 12.141 644 HB3 PRO 99 HB2 PRO 99 -16.162 -8.422 10.441 645 HG2 PRO 99 HG2 PRO 99 -13.609 -9.405 11.644 646 HG3 PRO 99 HG3 PRO 99 -14.542 -10.073 10.292 647 HD2 PRO 99 HD2 PRO 99 -12.321 -8.551 9.941 648 HD3 PRO 99 HD3 PRO 99 -13.664 -8.578 8.783 Start of MODEL 2 1 H THR 19 H1 THR 19 13.462 -12.771 -9.168 2 HA THR 19 HA THR 19 11.478 -13.585 -8.142 3 HB THR 19 HB THR 19 12.612 -11.267 -6.576 4 HG1 THR 19 HG1 THR 19 13.927 -13.277 -5.818 5 HG21 THR 19 HG21 THR 19 12.118 -12.683 -4.624 6 HG22 THR 19 HG22 THR 19 11.386 -13.885 -5.689 7 HG23 THR 19 HG23 THR 19 10.656 -12.288 -5.525 8 H ILE 20 H ILE 20 11.436 -10.044 -7.809 9 HA ILE 20 HA ILE 20 8.652 -10.074 -8.653 10 HB ILE 20 HB ILE 20 8.227 -10.154 -6.363 11 HG12 ILE 20 HG12 ILE 20 7.155 -8.105 -5.820 12 HG13 ILE 20 HG13 ILE 20 8.298 -7.165 -6.762 13 HG21 ILE 20 HG21 ILE 20 10.434 -8.156 -5.921 14 HG22 ILE 20 HG22 ILE 20 10.455 -9.870 -5.506 15 HG23 ILE 20 HG23 ILE 20 9.358 -8.773 -4.668 16 HD11 ILE 20 HD11 ILE 20 6.383 -9.122 -7.985 17 HD12 ILE 20 HD12 ILE 20 7.355 -7.888 -8.791 18 HD13 ILE 20 HD13 ILE 20 6.009 -7.414 -7.745 19 H ASP 21 H ASP 21 10.579 -7.452 -7.176 20 HA ASP 21 HA ASP 21 10.776 -6.170 -9.760 21 HB2 ASP 21 HB2 ASP 21 8.454 -5.705 -8.612 22 HB3 ASP 21 HB3 ASP 21 9.389 -4.589 -7.628 23 H VAL 22 H VAL 22 11.270 -3.548 -8.770 24 HA VAL 22 HA VAL 22 13.894 -3.874 -7.611 25 HB VAL 22 HB VAL 22 13.420 -2.142 -9.314 26 HG11 VAL 22 HG11 VAL 22 11.783 -0.858 -7.187 27 HG12 VAL 22 HG12 VAL 22 11.185 -1.539 -8.692 28 HG13 VAL 22 HG13 VAL 22 12.222 -0.109 -8.713 29 HG21 VAL 22 HG21 VAL 22 15.311 -1.877 -7.748 30 HG22 VAL 22 HG22 VAL 22 14.260 -0.924 -6.697 31 HG23 VAL 22 HG23 VAL 22 14.661 -0.336 -8.313 32 H LEU 23 H LEU 23 10.843 -3.838 -6.394 33 HA LEU 23 HA LEU 23 11.120 -2.179 -4.095 34 HB2 LEU 23 HB2 LEU 23 9.148 -4.427 -4.404 35 HB3 LEU 23 HB3 LEU 23 8.963 -2.940 -3.497 36 HG LEU 23 HG LEU 23 8.970 -3.210 -6.503 37 HD11 LEU 23 HD11 LEU 23 6.775 -2.520 -4.567 38 HD12 LEU 23 HD12 LEU 23 6.923 -4.001 -5.507 39 HD13 LEU 23 HD13 LEU 23 6.643 -2.463 -6.323 40 HD21 LEU 23 HD21 LEU 23 9.984 -1.127 -6.041 41 HD22 LEU 23 HD22 LEU 23 8.841 -0.772 -4.747 42 HD23 LEU 23 HD23 LEU 23 8.298 -0.784 -6.423 43 H GLN 24 H GLN 24 13.147 -3.002 -3.290 44 HA GLN 24 HA GLN 24 13.077 -5.676 -2.127 45 HB2 GLN 24 HB2 GLN 24 15.324 -3.683 -2.388 46 HB3 GLN 24 HB3 GLN 24 15.484 -5.282 -1.678 47 HG2 GLN 24 HG2 GLN 24 14.672 -4.723 -4.521 48 HG3 GLN 24 HG3 GLN 24 16.288 -5.190 -3.991 49 HE21 GLN 24 HE22 GLN 24 14.421 -6.524 -5.815 50 HE22 GLN 24 HE21 GLN 24 14.181 -8.107 -5.168 51 H PHE 25 H PHE 25 12.736 -6.027 -0.043 52 HA PHE 25 HA PHE 25 12.503 -3.758 1.782 53 HB2 PHE 25 HB2 PHE 25 11.937 -6.679 2.343 54 HB3 PHE 25 HB3 PHE 25 11.418 -5.291 3.303 55 HD1 PHE 25 HD1 PHE 25 9.918 -3.569 2.075 56 HD2 PHE 25 HD2 PHE 25 10.486 -7.588 0.790 57 HE1 PHE 25 HE1 PHE 25 7.817 -3.454 0.801 58 HE2 PHE 25 HE2 PHE 25 8.385 -7.479 -0.486 59 HZ PHE 25 HZ PHE 25 7.049 -5.409 -0.484 60 H LYS 26 H LYS 26 13.949 -3.199 3.143 61 HA LYS 26 HA LYS 26 16.543 -4.053 3.234 62 HB2 LYS 26 HB2 LYS 26 16.388 -2.028 4.221 63 HB3 LYS 26 HB3 LYS 26 14.780 -2.338 4.826 64 HG2 LYS 26 HG2 LYS 26 16.799 -3.872 6.227 65 HG3 LYS 26 HG3 LYS 26 17.065 -2.125 6.324 66 HD2 LYS 26 HD2 LYS 26 14.401 -3.413 6.868 67 HD3 LYS 26 HD3 LYS 26 15.605 -3.144 8.130 68 HE2 LYS 26 HE2 LYS 26 15.515 -0.774 7.774 69 HE3 LYS 26 HE3 LYS 26 14.458 -0.973 6.378 70 HZ1 LYS 26 HZ1 LYS 26 12.704 -1.698 7.777 71 HZ2 LYS 26 HZ2 LYS 26 13.336 -0.304 8.500 72 HZ3 LYS 26 HZ3 LYS 26 13.720 -1.836 9.124 73 H ASP 27 H ASP 27 13.829 -5.134 5.122 74 HA ASP 27 HA ASP 27 15.021 -7.670 5.561 75 HB2 ASP 27 HB2 ASP 27 14.898 -7.670 8.019 76 HB3 ASP 27 HB3 ASP 27 16.065 -6.486 7.449 77 H GLU 28 H GLU 28 13.241 -8.569 7.570 78 HA GLU 28 HA GLU 28 10.805 -8.633 6.072 79 HB2 GLU 28 HB2 GLU 28 9.909 -10.029 7.842 80 HB3 GLU 28 HB3 GLU 28 11.530 -10.564 7.433 81 HG2 GLU 28 HG2 GLU 28 10.956 -8.757 9.761 82 HG3 GLU 28 HG3 GLU 28 10.936 -10.517 9.883 83 H ALA 29 H ALA 29 12.064 -6.669 8.617 84 HA ALA 29 HA ALA 29 9.623 -5.725 9.695 85 HB1 ALA 29 HB1 ALA 29 10.900 -4.078 10.808 86 HB2 ALA 29 HB2 ALA 29 12.194 -4.165 9.608 87 HB3 ALA 29 HB3 ALA 29 11.929 -5.509 10.727 88 H GLN 30 H GLN 30 11.730 -4.571 7.068 89 HA GLN 30 HA GLN 30 10.265 -2.227 6.496 90 HB2 GLN 30 HB2 GLN 30 12.565 -3.058 5.455 91 HB3 GLN 30 HB3 GLN 30 11.504 -3.791 4.259 92 HG2 GLN 30 HG2 GLN 30 10.572 -1.708 3.666 93 HG3 GLN 30 HG3 GLN 30 11.371 -0.896 5.009 94 HE21 GLN 30 HE22 GLN 30 11.697 -2.167 1.822 95 HE22 GLN 30 HE21 GLN 30 13.272 -1.530 1.498 96 H GLU 31 H GLU 31 9.862 -5.563 5.616 97 HA GLU 31 HA GLU 31 7.731 -5.151 3.772 98 HB2 GLU 31 HB2 GLU 31 9.061 -7.148 3.613 99 HB3 GLU 31 HB3 GLU 31 8.689 -7.591 5.266 100 HG2 GLU 31 HG2 GLU 31 6.330 -7.887 4.641 101 HG3 GLU 31 HG3 GLU 31 6.736 -7.473 2.977 102 H GLN 32 H GLN 32 7.953 -5.463 7.240 103 HA GLN 32 HA GLN 32 5.174 -5.976 7.702 104 HB2 GLN 32 HB2 GLN 32 7.230 -4.701 9.525 105 HB3 GLN 32 HB3 GLN 32 5.668 -5.331 10.027 106 HG2 GLN 32 HG2 GLN 32 6.394 -7.575 9.316 107 HG3 GLN 32 HG3 GLN 32 7.977 -6.904 8.922 108 HE21 GLN 32 HE22 GLN 32 7.213 -8.959 10.855 109 HE22 GLN 32 HE21 GLN 32 7.808 -8.402 12.387 110 H GLN 33 H GLN 33 7.212 -3.082 7.561 111 HA GLN 33 HA GLN 33 5.210 -1.174 8.049 112 HB2 GLN 33 HB2 GLN 33 7.477 -0.435 7.958 113 HB3 GLN 33 HB3 GLN 33 7.698 -1.085 6.341 114 HG2 GLN 33 HG2 GLN 33 6.203 0.597 5.433 115 HG3 GLN 33 HG3 GLN 33 5.880 1.201 7.059 116 HE21 GLN 33 HE22 GLN 33 6.597 3.248 6.388 117 HE22 GLN 33 HE21 GLN 33 8.281 3.611 6.272 118 H PHE 34 H PHE 34 6.318 -2.718 5.087 119 HA PHE 34 HA PHE 34 4.549 -1.577 3.268 120 HB2 PHE 34 HB2 PHE 34 6.479 -2.988 2.655 121 HB3 PHE 34 HB3 PHE 34 5.667 -4.394 3.327 122 HD1 PHE 34 HD1 PHE 34 5.508 -1.860 0.645 123 HD2 PHE 34 HD2 PHE 34 4.149 -5.637 2.053 124 HE1 PHE 34 HE1 PHE 34 4.511 -2.317 -1.556 125 HE2 PHE 34 HE2 PHE 34 3.146 -6.101 -0.144 126 HZ PHE 34 HZ PHE 34 3.328 -4.439 -1.954 127 H ARG 35 H ARG 35 4.193 -4.347 5.418 128 HA ARG 35 HA ARG 35 1.718 -5.332 4.633 129 HB2 ARG 35 HB2 ARG 35 3.469 -5.524 6.925 130 HB3 ARG 35 HB3 ARG 35 1.795 -5.474 7.444 131 HG2 ARG 35 HG2 ARG 35 2.638 -7.745 7.163 132 HG3 ARG 35 HG3 ARG 35 1.276 -7.400 6.094 133 HD2 ARG 35 HD2 ARG 35 3.546 -6.696 4.644 134 HD3 ARG 35 HD3 ARG 35 3.974 -8.197 5.460 135 HE ARG 35 HE ARG 35 1.399 -8.429 4.308 136 HH11 ARG 35 HH11 ARG 35 4.785 -8.341 3.399 137 HH12 ARG 35 HH12 ARG 35 4.563 -9.324 1.990 138 HH21 ARG 35 HH22 ARG 35 1.118 -9.759 2.471 139 HH22 ARG 35 HH21 ARG 35 2.488 -10.117 1.457 140 H GLN 36 H GLN 36 2.428 -2.832 7.073 141 HA GLN 36 HA GLN 36 -0.321 -2.403 7.702 142 HB2 GLN 36 HB2 GLN 36 2.074 -0.638 8.234 143 HB3 GLN 36 HB3 GLN 36 0.493 -0.469 8.981 144 HG2 GLN 36 HG2 GLN 36 0.740 -2.603 10.080 145 HG3 GLN 36 HG3 GLN 36 2.285 -2.865 9.268 146 HE21 GLN 36 HE22 GLN 36 0.595 -1.023 11.694 147 HE22 GLN 36 HE21 GLN 36 2.009 -0.431 12.510 148 H LEU 37 H LEU 37 2.018 -0.802 5.635 149 HA LEU 37 HA LEU 37 0.419 1.464 5.091 150 HB2 LEU 37 HB2 LEU 37 2.744 0.284 3.567 151 HB3 LEU 37 HB3 LEU 37 2.035 1.857 3.244 152 HG LEU 37 HG LEU 37 3.500 0.990 5.733 153 HD11 LEU 37 HD11 LEU 37 4.999 1.475 3.949 154 HD12 LEU 37 HD12 LEU 37 5.030 2.831 5.077 155 HD13 LEU 37 HD13 LEU 37 4.142 2.965 3.558 156 HD21 LEU 37 HD21 LEU 37 3.215 3.379 6.428 157 HD22 LEU 37 HD22 LEU 37 1.752 2.399 6.491 158 HD23 LEU 37 HD23 LEU 37 1.997 3.531 5.161 159 H THR 38 H THR 38 0.468 -1.747 3.788 160 HA THR 38 HA THR 38 -1.227 -0.929 1.562 161 HB THR 38 HB THR 38 -1.226 -3.427 1.038 162 HG1 THR 38 HG1 THR 38 1.039 -3.397 2.766 163 HG21 THR 38 HG21 THR 38 1.201 -1.678 0.867 164 HG22 THR 38 HG22 THR 38 0.014 -2.039 -0.377 165 HG23 THR 38 HG23 THR 38 1.158 -3.279 0.138 166 H GLU 39 H GLU 39 -1.497 -2.260 4.751 167 HA GLU 39 HA GLU 39 -4.078 -3.472 4.220 168 HB2 GLU 39 HB2 GLU 39 -2.307 -3.359 6.635 169 HB3 GLU 39 HB3 GLU 39 -3.979 -3.889 6.766 170 HG2 GLU 39 HG2 GLU 39 -3.535 -5.633 5.087 171 HG3 GLU 39 HG3 GLU 39 -1.850 -5.119 5.033 172 H GLU 40 H GLU 40 -2.840 -0.559 5.786 173 HA GLU 40 HA GLU 40 -5.413 0.170 6.833 174 HB2 GLU 40 HB2 GLU 40 -2.829 1.680 6.507 175 HB3 GLU 40 HB3 GLU 40 -4.300 2.485 7.032 176 HG2 GLU 40 HG2 GLU 40 -4.435 0.772 8.878 177 HG3 GLU 40 HG3 GLU 40 -2.806 0.284 8.421 178 H LEU 41 H LEU 41 -4.252 -0.010 3.765 179 HA LEU 41 HA LEU 41 -5.799 2.276 2.807 180 HB2 LEU 41 HB2 LEU 41 -3.586 2.193 1.911 181 HB3 LEU 41 HB3 LEU 41 -3.771 0.516 1.446 182 HG LEU 41 HG LEU 41 -5.311 1.090 -0.299 183 HD11 LEU 41 HD11 LEU 41 -6.574 2.827 0.734 184 HD12 LEU 41 HD12 LEU 41 -5.855 3.486 -0.742 185 HD13 LEU 41 HD13 LEU 41 -5.154 3.877 0.831 186 HD21 LEU 41 HD21 LEU 41 -3.055 1.250 -0.981 187 HD22 LEU 41 HD22 LEU 41 -2.856 2.811 -0.189 188 HD23 LEU 41 HD23 LEU 41 -3.866 2.677 -1.628 189 H ARG 42 H ARG 42 -7.725 2.029 1.962 190 HA ARG 42 HA ARG 42 -8.818 -0.615 1.545 191 HB2 ARG 42 HB2 ARG 42 -9.889 2.061 1.996 192 HB3 ARG 42 HB3 ARG 42 -10.732 1.204 0.719 193 HG2 ARG 42 HG2 ARG 42 -10.881 -0.718 2.450 194 HG3 ARG 42 HG3 ARG 42 -10.545 0.562 3.624 195 HD2 ARG 42 HD2 ARG 42 -12.426 1.867 2.600 196 HD3 ARG 42 HD3 ARG 42 -12.819 0.439 1.650 197 HE ARG 42 HE ARG 42 -12.722 0.062 4.526 198 HH11 ARG 42 HH11 ARG 42 -14.712 0.702 1.714 199 HH12 ARG 42 HH12 ARG 42 -16.196 0.257 2.505 200 HH21 ARG 42 HH22 ARG 42 -14.658 -0.494 5.571 201 HH22 ARG 42 HH21 ARG 42 -16.167 -0.421 4.705 202 H CYS 43 H CYS 43 -9.116 -1.550 -0.377 203 HA CYS 43 HA CYS 43 -8.954 0.118 -2.787 204 HB2 CYS 43 HB2 CYS 43 -8.928 -2.111 -3.981 205 HB3 CYS 43 HB3 CYS 43 -7.533 -1.810 -2.951 206 HG CYS 43 HG CYS 43 -10.096 -3.512 -1.551 207 HA PRO 44 HA PRO 44 -13.375 0.153 -3.036 208 HB2 PRO 44 HB3 PRO 44 -13.070 0.172 -5.976 209 HB3 PRO 44 HB2 PRO 44 -13.791 1.387 -4.911 210 HG2 PRO 44 HG2 PRO 44 -11.433 1.824 -6.080 211 HG3 PRO 44 HG3 PRO 44 -11.738 2.358 -4.415 212 HD2 PRO 44 HD2 PRO 44 -10.255 -0.070 -5.380 213 HD3 PRO 44 HD3 PRO 44 -9.807 1.087 -4.106 214 H LYS 45 H LYS 45 -13.176 -2.192 -2.350 215 HA LYS 45 HA LYS 45 -14.646 -3.850 -4.218 216 HB2 LYS 45 HB2 LYS 45 -12.178 -4.210 -4.682 217 HB3 LYS 45 HB3 LYS 45 -12.049 -4.858 -3.053 218 HG2 LYS 45 HG2 LYS 45 -12.264 -6.719 -4.430 219 HG3 LYS 45 HG3 LYS 45 -13.863 -6.498 -3.726 220 HD2 LYS 45 HD2 LYS 45 -14.513 -5.265 -5.803 221 HD3 LYS 45 HD3 LYS 45 -12.958 -5.729 -6.497 222 HE2 LYS 45 HE2 LYS 45 -13.620 -8.127 -5.958 223 HE3 LYS 45 HE3 LYS 45 -15.241 -7.497 -5.676 224 HZ1 LYS 45 HZ1 LYS 45 -13.707 -7.348 -8.218 225 HZ2 LYS 45 HZ2 LYS 45 -15.194 -6.571 -7.948 226 HZ3 LYS 45 HZ3 LYS 45 -15.105 -8.262 -7.917 227 H CYS 46 H CYS 46 -15.743 -5.554 -3.150 228 HA CYS 46 HA CYS 46 -15.857 -5.283 -0.233 229 HB2 CYS 46 HB2 CYS 46 -17.693 -6.746 -2.140 230 HB3 CYS 46 HB3 CYS 46 -17.956 -6.540 -0.410 231 HG CYS 46 HG CYS 46 -17.669 -3.556 -1.094 232 H GLN 47 H GLN 47 -14.761 -7.353 -2.712 233 HA GLN 47 HA GLN 47 -14.472 -9.609 -0.895 234 HB2 GLN 47 HB2 GLN 47 -14.125 -9.335 -3.867 235 HB3 GLN 47 HB3 GLN 47 -13.722 -10.804 -2.986 236 HG2 GLN 47 HG2 GLN 47 -16.437 -9.519 -2.913 237 HG3 GLN 47 HG3 GLN 47 -15.981 -10.765 -4.082 238 HE21 GLN 47 HE22 GLN 47 -17.488 -12.225 -3.319 239 HE22 GLN 47 HE21 GLN 47 -17.328 -13.024 -1.796 240 H ASN 48 H ASN 48 -12.798 -6.937 -1.742 241 HA ASN 48 HA ASN 48 -10.257 -8.108 -0.860 242 HB2 ASN 48 HB2 ASN 48 -10.789 -6.623 -3.377 243 HB3 ASN 48 HB3 ASN 48 -9.348 -6.145 -2.492 244 HD21 ASN 48 HD22 ASN 48 -10.504 -9.444 -2.406 245 HD22 ASN 48 HD21 ASN 48 -9.232 -10.107 -3.378 246 H ASN 49 H ASN 49 -9.668 -7.083 0.947 247 HA ASN 49 HA ASN 49 -11.024 -4.616 1.667 248 HB2 ASN 49 HB2 ASN 49 -9.107 -6.360 3.223 249 HB3 ASN 49 HB3 ASN 49 -9.936 -4.950 3.875 250 HD21 ASN 49 HD22 ASN 49 -10.246 -8.235 2.822 251 HD22 ASN 49 HD21 ASN 49 -11.825 -8.514 3.486 252 H SER 50 H SER 50 -7.689 -5.780 1.456 253 HA SER 50 HA SER 50 -6.782 -2.991 1.246 254 HB2 SER 50 HB2 SER 50 -5.290 -5.157 2.735 255 HB3 SER 50 HB3 SER 50 -4.990 -3.419 2.759 256 HG SER 50 HG SER 50 -6.623 -3.121 4.103 257 H ILE 51 H ILE 51 -4.723 -2.737 0.153 258 HA ILE 51 HA ILE 51 -4.557 -4.466 -2.147 259 HB ILE 51 HB ILE 51 -2.831 -2.935 -2.959 260 HG12 ILE 51 HG12 ILE 51 -3.201 -1.418 -0.367 261 HG13 ILE 51 HG13 ILE 51 -1.835 -2.477 -0.699 262 HG21 ILE 51 HG21 ILE 51 -5.100 -2.347 -3.428 263 HG22 ILE 51 HG22 ILE 51 -4.229 -0.869 -3.015 264 HG23 ILE 51 HG23 ILE 51 -5.299 -1.623 -1.831 265 HD11 ILE 51 HD11 ILE 51 -2.556 -0.037 -2.299 266 HD12 ILE 51 HD12 ILE 51 -1.147 -1.070 -2.532 267 HD13 ILE 51 HD13 ILE 51 -1.305 -0.115 -1.057 268 H ALA 52 H ALA 52 -3.464 -4.991 0.815 269 HA ALA 52 HA ALA 52 -0.709 -5.543 0.516 270 HB1 ALA 52 HB1 ALA 52 -2.684 -6.726 2.467 271 HB2 ALA 52 HB2 ALA 52 -1.760 -5.242 2.699 272 HB3 ALA 52 HB3 ALA 52 -0.926 -6.792 2.602 273 H ASP 53 H ASP 53 -3.473 -7.784 0.676 274 HA ASP 53 HA ASP 53 -1.906 -9.682 -0.948 275 HB2 ASP 53 HB2 ASP 53 -2.555 -10.194 1.582 276 HB3 ASP 53 HB3 ASP 53 -4.096 -10.633 0.856 277 H SER 54 H SER 54 -3.402 -7.691 -2.063 278 HA SER 54 HA SER 54 -6.104 -8.482 -2.570 279 HB2 SER 54 HB2 SER 54 -5.918 -6.551 -4.257 280 HB3 SER 54 HB3 SER 54 -5.689 -6.157 -2.552 281 HG SER 54 HG SER 54 -3.439 -6.885 -4.030 282 H ASN 55 H ASN 55 -6.967 -8.763 -4.745 283 HA ASN 55 HA ASN 55 -5.244 -10.515 -6.354 284 HB2 ASN 55 HB2 ASN 55 -8.247 -10.133 -6.352 285 HB3 ASN 55 HB3 ASN 55 -7.380 -11.238 -7.412 286 HD21 ASN 55 HD22 ASN 55 -6.508 -13.119 -6.577 287 HD22 ASN 55 HD21 ASN 55 -6.968 -13.731 -5.021 288 H SER 56 H SER 56 -5.855 -7.371 -6.268 289 HA SER 56 HA SER 56 -6.492 -6.982 -9.073 290 HB2 SER 56 HB2 SER 56 -7.563 -5.535 -7.418 291 HB3 SER 56 HB3 SER 56 -5.985 -4.953 -6.891 292 HG SER 56 HG SER 56 -7.496 -4.173 -9.007 293 H MET 57 H MET 57 -5.096 -6.543 -10.578 294 HA MET 57 HA MET 57 -2.317 -6.785 -10.239 295 HB2 MET 57 HB2 MET 57 -3.357 -5.337 -12.609 296 HB3 MET 57 HB3 MET 57 -2.204 -6.660 -12.521 297 HG2 MET 57 HG2 MET 57 -3.804 -8.022 -13.197 298 HG3 MET 57 HG3 MET 57 -4.650 -7.717 -11.679 299 HE1 MET 57 HE1 MET 57 -7.159 -4.908 -12.586 300 HE2 MET 57 HE2 MET 57 -5.716 -5.013 -11.575 301 HE3 MET 57 HE3 MET 57 -6.932 -6.292 -11.516 302 H ILE 58 H ILE 58 -4.496 -4.081 -10.431 303 HA ILE 58 HA ILE 58 -2.514 -2.085 -10.836 304 HB ILE 58 HB ILE 58 -4.216 -0.645 -11.109 305 HG12 ILE 58 HG12 ILE 58 -6.394 -0.908 -9.629 306 HG13 ILE 58 HG13 ILE 58 -5.287 -1.771 -8.564 307 HG21 ILE 58 HG21 ILE 58 -5.684 -3.270 -11.051 308 HG22 ILE 58 HG22 ILE 58 -4.970 -2.444 -12.442 309 HG23 ILE 58 HG23 ILE 58 -6.392 -1.765 -11.649 310 HD11 ILE 58 HD11 ILE 58 -5.248 1.097 -9.418 311 HD12 ILE 58 HD12 ILE 58 -3.788 0.296 -8.827 312 HD13 ILE 58 HD13 ILE 58 -5.215 0.415 -7.789 313 H ALA 59 H ALA 59 -3.857 -3.655 -8.045 314 HA ALA 59 HA ALA 59 -3.245 -1.839 -6.028 315 HB1 ALA 59 HB1 ALA 59 -3.070 -4.849 -5.946 316 HB2 ALA 59 HB2 ALA 59 -4.506 -3.884 -5.597 317 HB3 ALA 59 HB3 ALA 59 -3.098 -3.789 -4.538 318 H THR 60 H THR 60 -1.184 -3.996 -7.857 319 HA THR 60 HA THR 60 1.141 -3.823 -6.289 320 HB THR 60 HB THR 60 0.859 -4.227 -9.270 321 HG1 THR 60 HG1 THR 60 0.707 -6.362 -8.768 322 HG21 THR 60 HG21 THR 60 3.127 -3.539 -8.573 323 HG22 THR 60 HG22 THR 60 3.078 -5.190 -9.193 324 HG23 THR 60 HG23 THR 60 3.176 -4.903 -7.455 325 H ASP 61 H ASP 61 -0.009 -1.833 -8.994 326 HA ASP 61 HA ASP 61 2.164 -0.103 -9.240 327 HB2 ASP 61 HB2 ASP 61 0.081 -0.231 -10.726 328 HB3 ASP 61 HB3 ASP 61 -0.717 0.761 -9.516 329 H LEU 62 H LEU 62 -0.677 0.068 -7.164 330 HA LEU 62 HA LEU 62 -0.086 2.513 -5.883 331 HB2 LEU 62 HB2 LEU 62 -1.580 0.161 -4.723 332 HB3 LEU 62 HB3 LEU 62 -1.730 1.836 -4.245 333 HG LEU 62 HG LEU 62 -2.603 0.658 -6.879 334 HD11 LEU 62 HD11 LEU 62 -3.964 0.083 -4.872 335 HD12 LEU 62 HD12 LEU 62 -4.833 1.013 -6.092 336 HD13 LEU 62 HD13 LEU 62 -4.246 1.807 -4.631 337 HD21 LEU 62 HD21 LEU 62 -3.550 2.863 -7.329 338 HD22 LEU 62 HD22 LEU 62 -1.801 2.952 -7.128 339 HD23 LEU 62 HD23 LEU 62 -2.863 3.472 -5.821 340 H ARG 63 H ARG 63 0.699 -0.837 -5.123 341 HA ARG 63 HA ARG 63 1.866 -0.354 -2.610 342 HB2 ARG 63 HB2 ARG 63 2.158 -2.605 -4.583 343 HB3 ARG 63 HB3 ARG 63 2.990 -2.599 -3.031 344 HG2 ARG 63 HG2 ARG 63 0.810 -2.370 -1.900 345 HG3 ARG 63 HG3 ARG 63 0.014 -2.491 -3.467 346 HD2 ARG 63 HD2 ARG 63 1.862 -4.599 -2.390 347 HD3 ARG 63 HD3 ARG 63 0.124 -4.597 -2.090 348 HE ARG 63 HE ARG 63 0.761 -4.393 -4.879 349 HH11 ARG 63 HH11 ARG 63 0.349 -6.652 -2.243 350 HH12 ARG 63 HH12 ARG 63 0.087 -8.021 -3.283 351 HH21 ARG 63 HH22 ARG 63 0.385 -6.186 -6.262 352 HH22 ARG 63 HH21 ARG 63 0.084 -7.748 -5.564 353 H GLN 64 H GLN 64 3.138 -0.124 -5.858 354 HA GLN 64 HA GLN 64 5.868 0.141 -5.227 355 HB2 GLN 64 HB2 GLN 64 4.337 1.578 -7.393 356 HB3 GLN 64 HB3 GLN 64 6.076 1.348 -7.337 357 HG2 GLN 64 HG2 GLN 64 5.821 -1.021 -7.647 358 HG3 GLN 64 HG3 GLN 64 4.066 -0.881 -7.542 359 HE21 GLN 64 HE22 GLN 64 4.042 1.617 -9.047 360 HE22 GLN 64 HE21 GLN 64 4.312 1.194 -10.704 361 H LYS 65 H LYS 65 3.218 2.489 -5.308 362 HA LYS 65 HA LYS 65 4.695 4.780 -4.709 363 HB2 LYS 65 HB2 LYS 65 2.341 4.881 -5.359 364 HB3 LYS 65 HB3 LYS 65 1.878 4.113 -3.847 365 HG2 LYS 65 HG2 LYS 65 1.477 6.330 -3.346 366 HG3 LYS 65 HG3 LYS 65 3.132 6.140 -2.778 367 HD2 LYS 65 HD2 LYS 65 2.714 6.983 -5.602 368 HD3 LYS 65 HD3 LYS 65 2.462 8.171 -4.321 369 HE2 LYS 65 HE2 LYS 65 4.668 8.097 -3.640 370 HE3 LYS 65 HE3 LYS 65 4.929 6.507 -4.342 371 HZ1 LYS 65 HZ1 LYS 65 5.290 7.362 -6.406 372 HZ2 LYS 65 HZ2 LYS 65 5.893 8.638 -5.466 373 HZ3 LYS 65 HZ3 LYS 65 4.340 8.746 -6.142 374 H VAL 66 H VAL 66 3.061 2.481 -2.587 375 HA VAL 66 HA VAL 66 3.706 3.502 -0.105 376 HB VAL 66 HB VAL 66 3.445 0.625 -0.996 377 HG11 VAL 66 HG11 VAL 66 4.831 0.995 1.104 378 HG12 VAL 66 HG12 VAL 66 3.439 -0.080 1.239 379 HG13 VAL 66 HG13 VAL 66 3.341 1.573 1.846 380 HG21 VAL 66 HG21 VAL 66 1.246 0.769 -0.021 381 HG22 VAL 66 HG22 VAL 66 1.455 2.066 -1.197 382 HG23 VAL 66 HG23 VAL 66 1.564 2.415 0.528 383 H TYR 67 H TYR 67 5.712 1.492 -2.245 384 HA TYR 67 HA TYR 67 7.841 1.227 -0.372 385 HB2 TYR 67 HB2 TYR 67 7.527 -0.315 -2.294 386 HB3 TYR 67 HB3 TYR 67 7.974 0.994 -3.385 387 HD1 TYR 67 HD1 TYR 67 9.290 -0.860 -0.419 388 HD2 TYR 67 HD2 TYR 67 10.177 1.218 -4.024 389 HE1 TYR 67 HE1 TYR 67 11.657 -1.478 -0.187 390 HE2 TYR 67 HE2 TYR 67 12.544 0.608 -3.799 391 HH TYR 67 HH TYR 67 14.116 -0.106 -2.208 392 H GLU 68 H GLU 68 7.316 3.407 -3.155 393 HA GLU 68 HA GLU 68 9.676 4.893 -2.931 394 HB2 GLU 68 HB2 GLU 68 6.952 5.950 -3.710 395 HB3 GLU 68 HB3 GLU 68 8.500 6.686 -4.092 396 HG2 GLU 68 HG2 GLU 68 9.047 4.620 -5.396 397 HG3 GLU 68 HG3 GLU 68 7.378 4.110 -5.152 398 H LEU 69 H LEU 69 6.547 5.330 -1.390 399 HA LEU 69 HA LEU 69 7.018 7.734 -0.055 400 HB2 LEU 69 HB2 LEU 69 5.237 5.401 0.610 401 HB3 LEU 69 HB3 LEU 69 5.167 6.951 1.427 402 HG LEU 69 HG LEU 69 4.812 6.661 -1.546 403 HD11 LEU 69 HD11 LEU 69 2.751 6.576 0.626 404 HD12 LEU 69 HD12 LEU 69 3.045 5.391 -0.633 405 HD13 LEU 69 HD13 LEU 69 2.375 6.969 -1.044 406 HD21 LEU 69 HD21 LEU 69 3.914 8.870 -1.432 407 HD22 LEU 69 HD22 LEU 69 5.477 8.866 -0.611 408 HD23 LEU 69 HD23 LEU 69 3.984 8.862 0.330 409 H MET 70 H MET 70 7.909 4.456 0.785 410 HA MET 70 HA MET 70 8.604 4.857 3.471 411 HB2 MET 70 HB2 MET 70 9.849 3.006 1.423 412 HB3 MET 70 HB3 MET 70 10.193 2.949 3.145 413 HG2 MET 70 HG2 MET 70 7.894 2.382 3.615 414 HG3 MET 70 HG3 MET 70 7.485 2.521 1.905 415 HE1 MET 70 HE1 MET 70 7.161 -1.278 2.281 416 HE2 MET 70 HE2 MET 70 6.397 0.259 1.871 417 HE3 MET 70 HE3 MET 70 6.757 -0.126 3.555 418 H GLN 71 H GLN 71 10.558 5.180 0.514 419 HA GLN 71 HA GLN 71 12.822 6.148 2.025 420 HB2 GLN 71 HB2 GLN 71 13.798 6.520 -0.304 421 HB3 GLN 71 HB3 GLN 71 13.460 4.863 0.172 422 HG2 GLN 71 HG2 GLN 71 11.510 4.787 -1.168 423 HG3 GLN 71 HG3 GLN 71 11.580 6.520 -1.476 424 HE21 GLN 71 HE22 GLN 71 11.565 4.245 -3.335 425 HE22 GLN 71 HE21 GLN 71 12.982 4.431 -4.305 426 H GLU 72 H GLU 72 10.047 7.508 0.566 427 HA GLU 72 HA GLU 72 11.051 10.170 0.305 428 HB2 GLU 72 HB2 GLU 72 8.244 9.132 0.673 429 HB3 GLU 72 HB3 GLU 72 8.631 10.824 0.401 430 HG2 GLU 72 HG2 GLU 72 9.738 10.090 -1.745 431 HG3 GLU 72 HG3 GLU 72 8.986 8.517 -1.473 432 H GLY 73 H GLY 73 10.110 8.192 2.923 433 HA2 GLY 73 HA2 GLY 73 10.524 8.603 5.160 434 HA3 GLY 73 HA3 GLY 73 10.870 10.283 4.771 435 H LYS 74 H LYS 74 7.999 8.667 3.691 436 HA LYS 74 HA LYS 74 6.311 10.602 4.922 437 HB2 LYS 74 HB2 LYS 74 5.571 7.957 3.681 438 HB3 LYS 74 HB3 LYS 74 4.488 9.299 3.998 439 HG2 LYS 74 HG2 LYS 74 6.862 9.578 2.184 440 HG3 LYS 74 HG3 LYS 74 5.291 9.004 1.617 441 HD2 LYS 74 HD2 LYS 74 4.358 11.036 1.740 442 HD3 LYS 74 HD3 LYS 74 5.190 11.442 3.243 443 HE2 LYS 74 HE2 LYS 74 6.691 11.293 0.681 444 HE3 LYS 74 HE3 LYS 74 5.758 12.740 1.061 445 HZ1 LYS 74 HZ1 LYS 74 8.083 11.609 2.504 446 HZ2 LYS 74 HZ2 LYS 74 7.043 12.733 3.233 447 HZ3 LYS 74 HZ3 LYS 74 7.907 13.154 1.837 448 H SER 75 H SER 75 4.568 10.016 6.396 449 HA SER 75 HA SER 75 5.440 8.160 8.471 450 HB2 SER 75 HB2 SER 75 3.084 10.072 8.462 451 HB3 SER 75 HB3 SER 75 3.718 9.197 9.855 452 HG SER 75 HG SER 75 5.731 10.546 8.736 453 H LYS 76 H LYS 76 3.609 6.767 9.456 454 HA LYS 76 HA LYS 76 2.724 4.958 7.541 455 HB2 LYS 76 HB2 LYS 76 2.088 5.449 10.385 456 HB3 LYS 76 HB3 LYS 76 0.938 4.474 9.485 457 HG2 LYS 76 HG2 LYS 76 2.455 2.991 10.519 458 HG3 LYS 76 HG3 LYS 76 2.842 3.002 8.806 459 HD2 LYS 76 HD2 LYS 76 4.307 4.831 10.653 460 HD3 LYS 76 HD3 LYS 76 4.740 3.123 10.611 461 HE2 LYS 76 HE2 LYS 76 5.073 3.318 8.171 462 HE3 LYS 76 HE3 LYS 76 4.738 5.046 8.282 463 HZ1 LYS 76 HZ1 LYS 76 7.094 4.735 8.296 464 HZ2 LYS 76 HZ2 LYS 76 7.002 3.575 9.532 465 HZ3 LYS 76 HZ3 LYS 76 6.636 5.198 9.861 466 H LYS 77 H LYS 77 0.703 7.334 9.273 467 HA LYS 77 HA LYS 77 -1.579 6.942 7.616 468 HB2 LYS 77 HB2 LYS 77 -0.959 9.481 9.123 469 HB3 LYS 77 HB3 LYS 77 -2.533 8.791 8.751 470 HG2 LYS 77 HG2 LYS 77 -0.506 7.693 10.675 471 HG3 LYS 77 HG3 LYS 77 -2.017 8.504 11.092 472 HD2 LYS 77 HD2 LYS 77 -3.288 6.707 10.044 473 HD3 LYS 77 HD3 LYS 77 -1.787 5.918 9.555 474 HE2 LYS 77 HE2 LYS 77 -1.173 5.611 11.894 475 HE3 LYS 77 HE3 LYS 77 -2.648 6.435 12.397 476 HZ1 LYS 77 HZ1 LYS 77 -2.668 3.918 12.409 477 HZ2 LYS 77 HZ2 LYS 77 -2.718 3.994 10.718 478 HZ3 LYS 77 HZ3 LYS 77 -3.968 4.678 11.639 479 H GLU 78 H GLU 78 1.232 8.978 7.428 480 HA GLU 78 HA GLU 78 0.295 10.764 5.451 481 HB2 GLU 78 HB2 GLU 78 2.232 11.301 6.793 482 HB3 GLU 78 HB3 GLU 78 3.106 9.918 6.155 483 HG2 GLU 78 HG2 GLU 78 3.853 12.002 5.150 484 HG3 GLU 78 HG3 GLU 78 3.139 10.917 3.953 485 H ILE 79 H ILE 79 2.064 7.681 5.204 486 HA ILE 79 HA ILE 79 2.413 7.660 2.433 487 HB ILE 79 HB ILE 79 2.240 5.504 4.495 488 HG12 ILE 79 HG12 ILE 79 4.369 5.118 2.706 489 HG13 ILE 79 HG13 ILE 79 4.258 6.858 2.931 490 HG21 ILE 79 HG21 ILE 79 1.014 4.968 2.184 491 HG22 ILE 79 HG22 ILE 79 1.944 3.757 3.069 492 HG23 ILE 79 HG23 ILE 79 2.674 4.606 1.705 493 HD11 ILE 79 HD11 ILE 79 4.337 4.963 5.252 494 HD12 ILE 79 HD12 ILE 79 4.697 6.688 5.227 495 HD13 ILE 79 HD13 ILE 79 5.803 5.545 4.466 496 H VAL 80 H VAL 80 -0.286 6.345 4.355 497 HA VAL 80 HA VAL 80 -1.731 5.542 2.050 498 HB VAL 80 HB VAL 80 -2.213 4.352 4.032 499 HG11 VAL 80 HG11 VAL 80 -2.970 6.966 5.305 500 HG12 VAL 80 HG12 VAL 80 -1.553 5.989 5.688 501 HG13 VAL 80 HG13 VAL 80 -3.171 5.378 6.042 502 HG21 VAL 80 HG21 VAL 80 -4.115 4.728 2.553 503 HG22 VAL 80 HG22 VAL 80 -4.519 6.176 3.475 504 HG23 VAL 80 HG23 VAL 80 -4.626 4.589 4.239 505 H ASP 81 H ASP 81 -1.846 8.435 4.099 506 HA ASP 81 HA ASP 81 -4.041 9.677 2.860 507 HB2 ASP 81 HB2 ASP 81 -3.126 10.586 4.908 508 HB3 ASP 81 HB3 ASP 81 -1.578 10.880 4.125 509 H TYR 82 H TYR 82 -0.626 9.629 2.084 510 HA TYR 82 HA TYR 82 -0.589 11.412 -0.069 511 HB2 TYR 82 HB2 TYR 82 1.367 10.165 1.147 512 HB3 TYR 82 HB3 TYR 82 1.064 8.898 -0.030 513 HD1 TYR 82 HD2 TYR 82 1.245 9.469 -2.500 514 HD2 TYR 82 HD1 TYR 82 2.663 12.049 0.569 515 HE1 TYR 82 HE2 TYR 82 2.672 10.624 -4.136 516 HE2 TYR 82 HE1 TYR 82 4.095 13.209 -1.057 517 HH TYR 82 HH TYR 82 5.189 12.618 -3.301 518 H MET 83 H MET 83 -1.217 7.963 0.131 519 HA MET 83 HA MET 83 -1.518 7.492 -2.623 520 HB2 MET 83 HB2 MET 83 -2.610 6.008 -0.229 521 HB3 MET 83 HB3 MET 83 -2.761 5.431 -1.884 522 HG2 MET 83 HG2 MET 83 -0.046 6.031 -1.511 523 HG3 MET 83 HG3 MET 83 -0.571 5.178 -0.061 524 HE1 MET 83 HE1 MET 83 -1.102 3.497 -4.315 525 HE2 MET 83 HE2 MET 83 -0.380 5.069 -3.974 526 HE3 MET 83 HE3 MET 83 -2.090 4.794 -3.644 527 H VAL 84 H VAL 84 -4.011 8.078 -0.103 528 HA VAL 84 HA VAL 84 -6.136 7.926 -1.992 529 HB VAL 84 HB VAL 84 -7.626 8.645 -0.316 530 HG11 VAL 84 HG11 VAL 84 -5.409 7.112 1.011 531 HG12 VAL 84 HG12 VAL 84 -6.735 6.441 0.067 532 HG13 VAL 84 HG13 VAL 84 -7.061 7.240 1.605 533 HG21 VAL 84 HG21 VAL 84 -6.875 10.606 0.610 534 HG22 VAL 84 HG22 VAL 84 -5.262 9.972 0.925 535 HG23 VAL 84 HG23 VAL 84 -6.613 9.481 1.941 536 H ALA 85 H ALA 85 -4.077 10.509 -0.926 537 HA ALA 85 HA ALA 85 -5.667 12.648 -1.811 538 HB1 ALA 85 HB1 ALA 85 -3.433 13.877 -1.840 539 HB2 ALA 85 HB2 ALA 85 -2.725 12.357 -1.285 540 HB3 ALA 85 HB3 ALA 85 -3.951 13.172 -0.309 541 H ARG 86 H ARG 86 -3.165 10.721 -3.401 542 HA ARG 86 HA ARG 86 -3.489 12.297 -5.847 543 HB2 ARG 86 HB2 ARG 86 -1.374 10.359 -4.938 544 HB3 ARG 86 HB3 ARG 86 -1.473 10.901 -6.604 545 HG2 ARG 86 HG2 ARG 86 0.120 12.294 -5.587 546 HG3 ARG 86 HG3 ARG 86 -1.347 13.272 -5.681 547 HD2 ARG 86 HD2 ARG 86 -1.839 12.485 -3.321 548 HD3 ARG 86 HD3 ARG 86 -0.187 11.874 -3.289 549 HE ARG 86 HE ARG 86 -0.243 14.608 -4.073 550 HH11 ARG 86 HH11 ARG 86 -0.549 12.512 -1.301 551 HH12 ARG 86 HH12 ARG 86 -0.080 13.721 -0.146 552 HH21 ARG 86 HH22 ARG 86 0.370 16.231 -2.567 553 HH22 ARG 86 HH21 ARG 86 0.431 15.854 -0.869 554 H TYR 87 H TYR 87 -3.709 8.977 -4.689 555 HA TYR 87 HA TYR 87 -4.701 8.107 -7.316 556 HB2 TYR 87 HB2 TYR 87 -3.666 6.474 -4.991 557 HB3 TYR 87 HB3 TYR 87 -4.157 5.836 -6.555 558 HD1 TYR 87 HD2 TYR 87 -2.789 6.354 -8.572 559 HD2 TYR 87 HD1 TYR 87 -1.498 7.399 -4.655 560 HE1 TYR 87 HE2 TYR 87 -0.494 6.623 -9.405 561 HE2 TYR 87 HE1 TYR 87 0.814 7.665 -5.478 562 HH TYR 87 HH TYR 87 1.567 7.795 -8.799 563 H GLY 88 H GLY 88 -6.335 9.571 -5.400 564 HA2 GLY 88 HA2 GLY 88 -7.847 7.762 -3.801 565 HA3 GLY 88 HA3 GLY 88 -8.237 9.445 -4.111 566 H ASN 89 H ASN 89 -7.891 7.967 -7.059 567 HA ASN 89 HA ASN 89 -10.769 7.552 -7.310 568 HB2 ASN 89 HB2 ASN 89 -8.603 7.464 -9.428 569 HB3 ASN 89 HB3 ASN 89 -10.334 7.374 -9.729 570 HD21 ASN 89 HD22 ASN 89 -11.608 9.235 -9.415 571 HD22 ASN 89 HD21 ASN 89 -10.891 10.820 -9.401 572 H PHE 90 H PHE 90 -8.000 5.839 -6.632 573 HA PHE 90 HA PHE 90 -9.270 3.290 -7.385 574 HB2 PHE 90 HB2 PHE 90 -6.305 3.891 -7.505 575 HB3 PHE 90 HB3 PHE 90 -7.074 2.360 -7.912 576 HD1 PHE 90 HD2 PHE 90 -8.677 2.310 -9.886 577 HD2 PHE 90 HD1 PHE 90 -6.054 5.576 -9.102 578 HE1 PHE 90 HE2 PHE 90 -8.928 3.069 -12.215 579 HE2 PHE 90 HE1 PHE 90 -6.307 6.339 -11.430 580 HZ PHE 90 HZ PHE 90 -7.743 5.086 -12.986 581 H VAL 91 H VAL 91 -8.038 5.220 -4.953 582 HA VAL 91 HA VAL 91 -7.827 2.933 -3.130 583 HB VAL 91 HB VAL 91 -5.776 3.465 -2.302 584 HG11 VAL 91 HG11 VAL 91 -5.384 5.014 -4.847 585 HG12 VAL 91 HG12 VAL 91 -5.552 3.248 -4.815 586 HG13 VAL 91 HG13 VAL 91 -4.212 4.021 -3.964 587 HG21 VAL 91 HG21 VAL 91 -6.368 5.590 -1.379 588 HG22 VAL 91 HG22 VAL 91 -6.309 6.345 -2.972 589 HG23 VAL 91 HG23 VAL 91 -4.827 5.747 -2.225 590 H THR 92 H THR 92 -8.198 3.521 -0.866 591 HA THR 92 HA THR 92 -9.147 6.193 -0.264 592 HB THR 92 HB THR 92 -11.014 3.807 -0.029 593 HG1 THR 92 HG1 THR 92 -10.584 5.564 -2.030 594 HG21 THR 92 HG21 THR 92 -11.292 5.381 1.827 595 HG22 THR 92 HG22 THR 92 -12.681 5.435 0.738 596 HG23 THR 92 HG23 THR 92 -11.463 6.710 0.679 597 H TYR 93 H TYR 93 -9.053 6.639 1.981 598 HA TYR 93 HA TYR 93 -7.724 4.519 3.521 599 HB2 TYR 93 HB2 TYR 93 -6.602 6.716 3.374 600 HB3 TYR 93 HB3 TYR 93 -7.989 7.475 4.143 601 HD1 TYR 93 HD1 TYR 93 -6.812 4.175 5.204 602 HD2 TYR 93 HD2 TYR 93 -6.626 8.356 5.979 603 HE1 TYR 93 HE1 TYR 93 -5.780 3.717 7.382 604 HE2 TYR 93 HE2 TYR 93 -5.592 7.905 8.168 605 HH TYR 93 HH TYR 93 -4.391 4.798 9.013 606 H ASP 94 H ASP 94 -9.143 3.252 4.477 607 HA ASP 94 HA ASP 94 -10.998 4.286 6.420 608 HB2 ASP 94 HB2 ASP 94 -11.909 3.305 3.759 609 HB3 ASP 94 HB3 ASP 94 -12.814 2.749 5.159 610 HA PRO 95 HA PRO 95 -10.293 0.184 8.151 611 HB2 PRO 95 HB3 PRO 95 -12.744 -0.198 9.342 612 HB3 PRO 95 HB2 PRO 95 -11.444 0.762 10.057 613 HG2 PRO 95 HG2 PRO 95 -13.840 1.673 8.510 614 HG3 PRO 95 HG3 PRO 95 -13.126 2.366 9.979 615 HD2 PRO 95 HD2 PRO 95 -12.695 3.455 7.569 616 HD3 PRO 95 HD3 PRO 95 -11.420 3.415 8.806 617 HA PRO 96 HA PRO 96 -11.955 -2.219 4.868 618 HB2 PRO 96 HB3 PRO 96 -11.382 -4.684 6.268 619 HB3 PRO 96 HB2 PRO 96 -10.529 -3.947 4.919 620 HG2 PRO 96 HG2 PRO 96 -9.508 -4.164 7.444 621 HG3 PRO 96 HG3 PRO 96 -8.993 -2.966 6.247 622 HD2 PRO 96 HD2 PRO 96 -10.785 -2.651 8.597 623 HD3 PRO 96 HD3 PRO 96 -9.637 -1.509 7.876 624 H LEU 97 H LEU 97 -13.114 -4.695 4.900 625 HA LEU 97 HA LEU 97 -15.765 -4.070 5.809 626 HB2 LEU 97 HB2 LEU 97 -14.565 -6.479 4.472 627 HB3 LEU 97 HB3 LEU 97 -16.239 -6.446 4.985 628 HG LEU 97 HG LEU 97 -16.205 -5.964 2.653 629 HD11 LEU 97 HD11 LEU 97 -17.799 -4.643 3.877 630 HD12 LEU 97 HD12 LEU 97 -17.127 -3.678 2.561 631 HD13 LEU 97 HD13 LEU 97 -16.576 -3.419 4.216 632 HD21 LEU 97 HD21 LEU 97 -13.867 -5.329 2.420 633 HD22 LEU 97 HD22 LEU 97 -14.189 -3.803 3.243 634 HD23 LEU 97 HD23 LEU 97 -14.922 -4.129 1.672 635 H THR 98 H THR 98 -13.236 -4.943 7.507 636 HA THR 98 HA THR 98 -13.963 -7.132 9.066 637 HB THR 98 HB THR 98 -11.715 -6.051 9.071 638 HG1 THR 98 HG1 THR 98 -12.472 -5.927 11.758 639 HG21 THR 98 HG21 THR 98 -12.403 -3.712 9.146 640 HG22 THR 98 HG22 THR 98 -11.327 -4.086 10.493 641 HG23 THR 98 HG23 THR 98 -13.063 -3.945 10.764 642 HA PRO 99 HA PRO 99 -17.453 -5.677 11.420 643 HB2 PRO 99 HB3 PRO 99 -16.991 -7.126 13.722 644 HB3 PRO 99 HB2 PRO 99 -17.791 -7.759 12.279 645 HG2 PRO 99 HG2 PRO 99 -14.953 -8.060 13.160 646 HG3 PRO 99 HG3 PRO 99 -16.027 -9.257 12.416 647 HD2 PRO 99 HD2 PRO 99 -14.123 -7.997 11.000 648 HD3 PRO 99 HD3 PRO 99 -15.695 -8.411 10.284 Start of MODEL 3 1 H THR 19 H1 THR 19 9.816 -9.725 -0.405 2 HA THR 19 HA THR 19 11.196 -9.482 -2.998 3 HB THR 19 HB THR 19 11.743 -11.657 -2.078 4 HG1 THR 19 HG1 THR 19 9.667 -12.433 -3.766 5 HG21 THR 19 HG21 THR 19 9.990 -13.280 -1.469 6 HG22 THR 19 HG22 THR 19 8.775 -12.014 -1.657 7 HG23 THR 19 HG23 THR 19 10.005 -11.876 -0.401 8 H ILE 20 H ILE 20 9.865 -9.115 -4.681 9 HA ILE 20 HA ILE 20 7.215 -9.841 -4.986 10 HB ILE 20 HB ILE 20 6.755 -8.363 -3.049 11 HG12 ILE 20 HG12 ILE 20 5.153 -8.718 -5.051 12 HG13 ILE 20 HG13 ILE 20 4.779 -7.461 -3.883 13 HG21 ILE 20 HG21 ILE 20 7.634 -6.092 -4.815 14 HG22 ILE 20 HG22 ILE 20 8.524 -6.714 -3.426 15 HG23 ILE 20 HG23 ILE 20 6.946 -5.960 -3.197 16 HD11 ILE 20 HD11 ILE 20 4.382 -6.743 -6.181 17 HD12 ILE 20 HD12 ILE 20 6.081 -7.031 -6.563 18 HD13 ILE 20 HD13 ILE 20 5.636 -5.774 -5.405 19 H ASP 21 H ASP 21 9.557 -7.274 -5.541 20 HA ASP 21 HA ASP 21 9.352 -7.498 -8.391 21 HB2 ASP 21 HB2 ASP 21 7.380 -5.991 -7.609 22 HB3 ASP 21 HB3 ASP 21 8.616 -4.805 -7.217 23 H VAL 22 H VAL 22 10.461 -4.776 -8.776 24 HA VAL 22 HA VAL 22 13.170 -5.167 -7.971 25 HB VAL 22 HB VAL 22 12.399 -3.793 -9.956 26 HG11 VAL 22 HG11 VAL 22 10.631 -2.552 -8.674 27 HG12 VAL 22 HG12 VAL 22 11.680 -1.538 -9.666 28 HG13 VAL 22 HG13 VAL 22 11.927 -1.621 -7.922 29 HG21 VAL 22 HG21 VAL 22 14.704 -3.712 -9.085 30 HG22 VAL 22 HG22 VAL 22 14.239 -2.371 -8.037 31 HG23 VAL 22 HG23 VAL 22 14.196 -2.178 -9.792 32 H LEU 23 H LEU 23 10.437 -4.202 -6.355 33 HA LEU 23 HA LEU 23 11.504 -2.247 -4.570 34 HB2 LEU 23 HB2 LEU 23 9.090 -3.923 -3.988 35 HB3 LEU 23 HB3 LEU 23 9.391 -2.248 -3.568 36 HG LEU 23 HG LEU 23 8.741 -3.310 -6.318 37 HD11 LEU 23 HD11 LEU 23 7.153 -1.624 -4.400 38 HD12 LEU 23 HD12 LEU 23 6.816 -3.291 -4.865 39 HD13 LEU 23 HD13 LEU 23 6.684 -1.996 -6.057 40 HD21 LEU 23 HD21 LEU 23 10.176 -1.495 -6.703 41 HD22 LEU 23 HD22 LEU 23 9.490 -0.561 -5.377 42 HD23 LEU 23 HD23 LEU 23 8.551 -0.825 -6.842 43 H GLN 24 H GLN 24 13.405 -3.367 -3.872 44 HA GLN 24 HA GLN 24 13.113 -5.728 -2.249 45 HB2 GLN 24 HB2 GLN 24 15.448 -3.945 -2.895 46 HB3 GLN 24 HB3 GLN 24 15.573 -5.286 -1.768 47 HG2 GLN 24 HG2 GLN 24 14.773 -5.518 -4.658 48 HG3 GLN 24 HG3 GLN 24 16.382 -5.840 -4.017 49 HE21 GLN 24 HE22 GLN 24 14.647 -7.635 -5.441 50 HE22 GLN 24 HE21 GLN 24 14.334 -8.975 -4.383 51 H PHE 25 H PHE 25 12.485 -5.685 -0.201 52 HA PHE 25 HA PHE 25 12.342 -3.322 1.382 53 HB2 PHE 25 HB2 PHE 25 12.342 -6.210 2.317 54 HB3 PHE 25 HB3 PHE 25 11.760 -4.819 3.236 55 HD1 PHE 25 HD1 PHE 25 9.927 -3.392 1.893 56 HD2 PHE 25 HD2 PHE 25 10.773 -7.520 1.300 57 HE1 PHE 25 HE1 PHE 25 7.673 -3.718 0.966 58 HE2 PHE 25 HE2 PHE 25 8.519 -7.851 0.368 59 HZ PHE 25 HZ PHE 25 6.989 -5.917 0.141 60 H LYS 26 H LYS 26 13.785 -2.356 2.515 61 HA LYS 26 HA LYS 26 16.488 -2.810 2.393 62 HB2 LYS 26 HB2 LYS 26 16.089 -0.703 3.093 63 HB3 LYS 26 HB3 LYS 26 14.627 -1.155 3.945 64 HG2 LYS 26 HG2 LYS 26 16.780 -2.240 5.394 65 HG3 LYS 26 HG3 LYS 26 17.203 -0.571 4.989 66 HD2 LYS 26 HD2 LYS 26 14.559 -1.396 6.157 67 HD3 LYS 26 HD3 LYS 26 15.928 -0.848 7.138 68 HE2 LYS 26 HE2 LYS 26 14.406 0.701 5.052 69 HE3 LYS 26 HE3 LYS 26 14.451 1.003 6.785 70 HZ1 LYS 26 HZ1 LYS 26 15.873 2.545 5.600 71 HZ2 LYS 26 HZ2 LYS 26 16.759 1.267 4.927 72 HZ3 LYS 26 HZ3 LYS 26 16.803 1.539 6.601 73 H ASP 27 H ASP 27 14.133 -4.047 4.614 74 HA ASP 27 HA ASP 27 15.680 -6.282 5.316 75 HB2 ASP 27 HB2 ASP 27 16.243 -5.889 7.571 76 HB3 ASP 27 HB3 ASP 27 16.720 -4.402 6.760 77 H GLU 28 H GLU 28 14.365 -6.980 7.708 78 HA GLU 28 HA GLU 28 11.827 -7.695 6.754 79 HB2 GLU 28 HB2 GLU 28 12.696 -9.143 8.351 80 HB3 GLU 28 HB3 GLU 28 13.261 -7.833 9.380 81 HG2 GLU 28 HG2 GLU 28 10.948 -7.314 9.936 82 HG3 GLU 28 HG3 GLU 28 10.416 -8.705 8.995 83 H ALA 29 H ALA 29 13.003 -5.015 8.717 84 HA ALA 29 HA ALA 29 10.577 -4.112 9.792 85 HB1 ALA 29 HB1 ALA 29 11.668 -2.117 10.319 86 HB2 ALA 29 HB2 ALA 29 12.720 -2.214 8.898 87 HB3 ALA 29 HB3 ALA 29 12.976 -3.302 10.271 88 H GLN 30 H GLN 30 12.180 -3.278 6.734 89 HA GLN 30 HA GLN 30 10.286 -1.389 5.873 90 HB2 GLN 30 HB2 GLN 30 12.591 -1.947 4.810 91 HB3 GLN 30 HB3 GLN 30 11.728 -3.219 3.969 92 HG2 GLN 30 HG2 GLN 30 10.638 -1.799 2.623 93 HG3 GLN 30 HG3 GLN 30 10.496 -0.562 3.869 94 HE21 GLN 30 HE22 GLN 30 12.041 0.981 4.064 95 HE22 GLN 30 HE21 GLN 30 13.306 1.212 2.900 96 H GLU 31 H GLU 31 10.441 -4.863 5.677 97 HA GLU 31 HA GLU 31 8.162 -5.180 4.000 98 HB2 GLU 31 HB2 GLU 31 9.832 -6.926 4.147 99 HB3 GLU 31 HB3 GLU 31 9.569 -7.084 5.868 100 HG2 GLU 31 HG2 GLU 31 7.260 -7.840 5.415 101 HG3 GLU 31 HG3 GLU 31 7.604 -7.754 3.688 102 H GLN 32 H GLN 32 8.675 -5.110 7.506 103 HA GLN 32 HA GLN 32 6.073 -5.801 8.336 104 HB2 GLN 32 HB2 GLN 32 7.954 -3.815 9.627 105 HB3 GLN 32 HB3 GLN 32 6.660 -4.692 10.430 106 HG2 GLN 32 HG2 GLN 32 7.895 -6.784 10.039 107 HG3 GLN 32 HG3 GLN 32 9.186 -5.853 9.284 108 HE21 GLN 32 HE22 GLN 32 7.379 -4.737 12.061 109 HE22 GLN 32 HE21 GLN 32 8.684 -4.865 13.195 110 H GLN 33 H GLN 33 7.589 -2.662 7.674 111 HA GLN 33 HA GLN 33 5.376 -1.017 8.114 112 HB2 GLN 33 HB2 GLN 33 7.630 -0.141 7.815 113 HB3 GLN 33 HB3 GLN 33 7.653 -0.697 6.151 114 HG2 GLN 33 HG2 GLN 33 5.848 0.861 5.612 115 HG3 GLN 33 HG3 GLN 33 5.842 1.414 7.287 116 HE21 GLN 33 HE22 GLN 33 8.785 0.579 5.649 117 HE22 GLN 33 HE21 GLN 33 9.414 2.185 5.522 118 H PHE 34 H PHE 34 6.451 -2.730 5.231 119 HA PHE 34 HA PHE 34 4.558 -1.803 3.412 120 HB2 PHE 34 HB2 PHE 34 6.498 -3.095 2.717 121 HB3 PHE 34 HB3 PHE 34 5.924 -4.499 3.605 122 HD1 PHE 34 HD1 PHE 34 5.260 -2.325 0.698 123 HD2 PHE 34 HD2 PHE 34 4.389 -6.006 2.648 124 HE1 PHE 34 HE1 PHE 34 4.107 -3.122 -1.325 125 HE2 PHE 34 HE2 PHE 34 3.233 -6.808 0.631 126 HZ PHE 34 HZ PHE 34 3.094 -5.366 -1.358 127 H ARG 35 H ARG 35 4.447 -4.533 5.662 128 HA ARG 35 HA ARG 35 2.047 -5.722 5.031 129 HB2 ARG 35 HB2 ARG 35 3.638 -5.368 7.496 130 HB3 ARG 35 HB3 ARG 35 1.953 -5.771 7.750 131 HG2 ARG 35 HG2 ARG 35 3.575 -7.676 7.738 132 HG3 ARG 35 HG3 ARG 35 2.178 -7.847 6.672 133 HD2 ARG 35 HD2 ARG 35 4.450 -6.594 5.370 134 HD3 ARG 35 HD3 ARG 35 4.834 -8.195 6.000 135 HE ARG 35 HE ARG 35 2.509 -7.754 4.241 136 HH11 ARG 35 HH11 ARG 35 5.447 -9.467 5.069 137 HH12 ARG 35 HH12 ARG 35 5.279 -10.641 3.799 138 HH21 ARG 35 HH22 ARG 35 2.234 -9.333 2.605 139 HH22 ARG 35 HH21 ARG 35 3.431 -10.584 2.404 140 H GLN 36 H GLN 36 2.548 -2.983 7.238 141 HA GLN 36 HA GLN 36 -0.236 -2.707 7.811 142 HB2 GLN 36 HB2 GLN 36 1.990 -0.726 8.334 143 HB3 GLN 36 HB3 GLN 36 0.412 -0.765 9.113 144 HG2 GLN 36 HG2 GLN 36 0.948 -2.898 10.143 145 HG3 GLN 36 HG3 GLN 36 2.515 -2.911 9.338 146 HE21 GLN 36 HE22 GLN 36 2.853 -0.021 9.725 147 HE22 GLN 36 HE21 GLN 36 3.270 0.194 11.391 148 H LEU 37 H LEU 37 2.038 -1.001 5.728 149 HA LEU 37 HA LEU 37 0.324 1.170 5.158 150 HB2 LEU 37 HB2 LEU 37 2.662 0.077 3.601 151 HB3 LEU 37 HB3 LEU 37 1.859 1.596 3.253 152 HG LEU 37 HG LEU 37 3.446 0.906 5.724 153 HD11 LEU 37 HD11 LEU 37 4.843 1.400 3.847 154 HD12 LEU 37 HD12 LEU 37 4.855 2.788 4.939 155 HD13 LEU 37 HD13 LEU 37 3.895 2.835 3.458 156 HD21 LEU 37 HD21 LEU 37 3.043 3.321 6.306 157 HD22 LEU 37 HD22 LEU 37 1.657 2.247 6.488 158 HD23 LEU 37 HD23 LEU 37 1.764 3.317 5.089 159 H THR 38 H THR 38 0.534 -2.049 3.855 160 HA THR 38 HA THR 38 -1.193 -1.287 1.632 161 HB THR 38 HB THR 38 -1.024 -3.760 1.036 162 HG1 THR 38 HG1 THR 38 1.183 -3.608 2.843 163 HG21 THR 38 HG21 THR 38 1.272 -1.834 0.943 164 HG22 THR 38 HG22 THR 38 0.131 -2.254 -0.325 165 HG23 THR 38 HG23 THR 38 1.361 -3.415 0.172 166 H GLU 39 H GLU 39 -1.470 -2.496 4.819 167 HA GLU 39 HA GLU 39 -3.974 -3.871 4.298 168 HB2 GLU 39 HB2 GLU 39 -2.313 -3.426 6.745 169 HB3 GLU 39 HB3 GLU 39 -3.992 -3.921 6.905 170 HG2 GLU 39 HG2 GLU 39 -3.468 -5.869 5.424 171 HG3 GLU 39 HG3 GLU 39 -1.769 -5.407 5.529 172 H GLU 40 H GLU 40 -2.934 -0.906 5.982 173 HA GLU 40 HA GLU 40 -5.627 -0.212 6.676 174 HB2 GLU 40 HB2 GLU 40 -3.636 0.508 7.987 175 HB3 GLU 40 HB3 GLU 40 -3.195 1.577 6.661 176 HG2 GLU 40 HG2 GLU 40 -5.111 2.907 6.971 177 HG3 GLU 40 HG3 GLU 40 -5.851 1.724 8.044 178 H LEU 41 H LEU 41 -3.617 0.234 3.923 179 HA LEU 41 HA LEU 41 -5.238 2.289 2.750 180 HB2 LEU 41 HB2 LEU 41 -2.986 2.150 1.984 181 HB3 LEU 41 HB3 LEU 41 -3.139 0.446 1.616 182 HG LEU 41 HG LEU 41 -4.498 0.879 -0.289 183 HD11 LEU 41 HD11 LEU 41 -5.913 2.620 0.594 184 HD12 LEU 41 HD12 LEU 41 -5.175 3.159 -0.924 185 HD13 LEU 41 HD13 LEU 41 -4.553 3.752 0.618 186 HD21 LEU 41 HD21 LEU 41 -2.225 1.120 -0.814 187 HD22 LEU 41 HD22 LEU 41 -2.133 2.700 -0.038 188 HD23 LEU 41 HD23 LEU 41 -3.022 2.513 -1.550 189 H ARG 42 H ARG 42 -7.222 1.970 2.127 190 HA ARG 42 HA ARG 42 -8.200 -0.719 1.701 191 HB2 ARG 42 HB2 ARG 42 -9.413 1.163 3.042 192 HB3 ARG 42 HB3 ARG 42 -9.861 1.772 1.455 193 HG2 ARG 42 HG2 ARG 42 -10.691 -0.661 1.050 194 HG3 ARG 42 HG3 ARG 42 -10.692 -0.741 2.812 195 HD2 ARG 42 HD2 ARG 42 -12.211 1.114 2.953 196 HD3 ARG 42 HD3 ARG 42 -12.123 1.368 1.210 197 HE ARG 42 HE ARG 42 -13.002 -1.161 1.363 198 HH11 ARG 42 HH11 ARG 42 -14.086 1.746 2.996 199 HH12 ARG 42 HH12 ARG 42 -15.739 1.228 3.075 200 HH21 ARG 42 HH22 ARG 42 -15.201 -1.827 1.467 201 HH22 ARG 42 HH21 ARG 42 -16.373 -0.782 2.212 202 H CYS 43 H CYS 43 -8.933 -1.516 -0.208 203 HA CYS 43 HA CYS 43 -8.865 0.275 -2.536 204 HB2 CYS 43 HB2 CYS 43 -8.968 -1.786 -3.888 205 HB3 CYS 43 HB3 CYS 43 -7.591 -1.813 -2.793 206 HG CYS 43 HG CYS 43 -8.967 -4.351 -3.157 207 HA PRO 44 HA PRO 44 -13.285 0.442 -2.528 208 HB2 PRO 44 HB3 PRO 44 -13.319 0.360 -5.464 209 HB3 PRO 44 HB2 PRO 44 -13.751 1.683 -4.374 210 HG2 PRO 44 HG2 PRO 44 -11.533 1.760 -5.891 211 HG3 PRO 44 HG3 PRO 44 -11.595 2.485 -4.273 212 HD2 PRO 44 HD2 PRO 44 -10.425 -0.141 -5.128 213 HD3 PRO 44 HD3 PRO 44 -9.766 1.079 -4.016 214 H LYS 45 H LYS 45 -12.558 -2.109 -2.048 215 HA LYS 45 HA LYS 45 -14.693 -3.620 -3.264 216 HB2 LYS 45 HB2 LYS 45 -12.815 -3.927 -4.861 217 HB3 LYS 45 HB3 LYS 45 -11.845 -4.587 -3.552 218 HG2 LYS 45 HG2 LYS 45 -12.712 -6.398 -4.827 219 HG3 LYS 45 HG3 LYS 45 -13.541 -6.378 -3.274 220 HD2 LYS 45 HD2 LYS 45 -15.476 -5.319 -4.282 221 HD3 LYS 45 HD3 LYS 45 -14.636 -5.211 -5.832 222 HE2 LYS 45 HE2 LYS 45 -15.318 -7.775 -4.396 223 HE3 LYS 45 HE3 LYS 45 -16.224 -7.092 -5.747 224 HZ1 LYS 45 HZ1 LYS 45 -13.350 -7.815 -5.909 225 HZ2 LYS 45 HZ2 LYS 45 -14.387 -7.405 -7.186 226 HZ3 LYS 45 HZ3 LYS 45 -14.601 -8.867 -6.351 227 H CYS 46 H CYS 46 -15.637 -4.490 -1.560 228 HA CYS 46 HA CYS 46 -14.387 -4.849 0.968 229 HB2 CYS 46 HB2 CYS 46 -16.971 -5.979 -0.108 230 HB3 CYS 46 HB3 CYS 46 -16.498 -5.935 1.589 231 HG CYS 46 HG CYS 46 -18.046 -3.636 -0.168 232 H GLN 47 H GLN 47 -14.963 -6.898 -1.763 233 HA GLN 47 HA GLN 47 -14.166 -9.306 -0.364 234 HB2 GLN 47 HB2 GLN 47 -14.845 -8.830 -3.267 235 HB3 GLN 47 HB3 GLN 47 -14.612 -10.408 -2.516 236 HG2 GLN 47 HG2 GLN 47 -16.728 -8.417 -1.728 237 HG3 GLN 47 HG3 GLN 47 -16.987 -9.791 -2.810 238 HE21 GLN 47 HE22 GLN 47 -16.996 -11.880 -1.951 239 HE22 GLN 47 HE21 GLN 47 -17.180 -12.164 -0.254 240 H ASN 48 H ASN 48 -12.183 -7.517 -0.206 241 HA ASN 48 HA ASN 48 -9.972 -8.885 -1.348 242 HB2 ASN 48 HB2 ASN 48 -10.685 -7.471 -3.308 243 HB3 ASN 48 HB3 ASN 48 -10.378 -6.042 -2.324 244 HD21 ASN 48 HD22 ASN 48 -8.243 -5.507 -1.790 245 HD22 ASN 48 HD21 ASN 48 -6.894 -6.179 -2.643 246 H ASN 49 H ASN 49 -11.213 -5.926 0.069 247 HA ASN 49 HA ASN 49 -10.814 -4.919 2.056 248 HB2 ASN 49 HB2 ASN 49 -8.883 -7.195 2.544 249 HB3 ASN 49 HB3 ASN 49 -9.278 -5.957 3.729 250 HD21 ASN 49 HD22 ASN 49 -10.328 -8.809 2.103 251 HD22 ASN 49 HD21 ASN 49 -11.744 -9.087 3.055 252 H SER 50 H SER 50 -7.588 -6.207 1.326 253 HA SER 50 HA SER 50 -6.603 -3.437 1.201 254 HB2 SER 50 HB2 SER 50 -5.276 -5.726 2.676 255 HB3 SER 50 HB3 SER 50 -4.733 -4.048 2.624 256 HG SER 50 HG SER 50 -6.375 -3.449 3.909 257 H ILE 51 H ILE 51 -4.622 -3.164 0.045 258 HA ILE 51 HA ILE 51 -4.462 -4.880 -2.271 259 HB ILE 51 HB ILE 51 -2.818 -3.290 -3.114 260 HG12 ILE 51 HG12 ILE 51 -3.100 -1.876 -0.452 261 HG13 ILE 51 HG13 ILE 51 -1.720 -2.864 -0.911 262 HG21 ILE 51 HG21 ILE 51 -5.151 -2.752 -3.427 263 HG22 ILE 51 HG22 ILE 51 -4.242 -1.271 -3.124 264 HG23 ILE 51 HG23 ILE 51 -5.220 -1.984 -1.842 265 HD11 ILE 51 HD11 ILE 51 -2.616 -0.399 -2.375 266 HD12 ILE 51 HD12 ILE 51 -1.159 -1.347 -2.681 267 HD13 ILE 51 HD13 ILE 51 -1.328 -0.451 -1.170 268 H ALA 52 H ALA 52 -3.211 -5.209 0.717 269 HA ALA 52 HA ALA 52 -0.497 -5.597 0.547 270 HB1 ALA 52 HB1 ALA 52 -2.462 -7.222 2.152 271 HB2 ALA 52 HB2 ALA 52 -1.756 -5.679 2.624 272 HB3 ALA 52 HB3 ALA 52 -0.727 -7.100 2.451 273 H ASP 53 H ASP 53 -2.963 -8.141 0.140 274 HA ASP 53 HA ASP 53 -1.205 -9.364 -1.858 275 HB2 ASP 53 HB2 ASP 53 -0.972 -10.640 0.274 276 HB3 ASP 53 HB3 ASP 53 -2.704 -10.962 0.233 277 H SER 54 H SER 54 -2.568 -8.324 -3.345 278 HA SER 54 HA SER 54 -5.255 -9.505 -3.574 279 HB2 SER 54 HB2 SER 54 -4.274 -6.942 -4.849 280 HB3 SER 54 HB3 SER 54 -5.936 -7.532 -4.772 281 HG SER 54 HG SER 54 -5.239 -7.469 -2.308 282 H ASN 55 H ASN 55 -2.158 -9.325 -4.956 283 HA ASN 55 HA ASN 55 -1.190 -10.114 -6.838 284 HB2 ASN 55 HB2 ASN 55 -3.713 -11.696 -6.789 285 HB3 ASN 55 HB3 ASN 55 -2.753 -11.718 -8.264 286 HD21 ASN 55 HD22 ASN 55 -2.883 -12.624 -4.905 287 HD22 ASN 55 HD21 ASN 55 -1.502 -13.674 -4.941 288 H SER 56 H SER 56 -3.745 -8.055 -6.910 289 HA SER 56 HA SER 56 -4.238 -7.852 -9.695 290 HB2 SER 56 HB2 SER 56 -5.855 -7.071 -8.040 291 HB3 SER 56 HB3 SER 56 -4.716 -5.853 -7.473 292 HG SER 56 HG SER 56 -6.377 -5.838 -9.654 293 H MET 57 H MET 57 -3.306 -6.660 -11.199 294 HA MET 57 HA MET 57 -0.664 -5.842 -11.092 295 HB2 MET 57 HB2 MET 57 -2.499 -4.417 -12.954 296 HB3 MET 57 HB3 MET 57 -0.931 -5.136 -13.270 297 HG2 MET 57 HG2 MET 57 -1.932 -6.883 -14.157 298 HG3 MET 57 HG3 MET 57 -2.682 -7.228 -12.598 299 HE1 MET 57 HE1 MET 57 -6.068 -5.342 -12.826 300 HE2 MET 57 HE2 MET 57 -4.561 -5.052 -11.952 301 HE3 MET 57 HE3 MET 57 -5.250 -6.677 -12.017 302 H ILE 58 H ILE 58 -3.613 -3.981 -10.711 303 HA ILE 58 HA ILE 58 -2.237 -1.482 -10.548 304 HB ILE 58 HB ILE 58 -4.240 -0.534 -10.848 305 HG12 ILE 58 HG12 ILE 58 -6.347 -1.476 -9.580 306 HG13 ILE 58 HG13 ILE 58 -5.131 -2.228 -8.554 307 HG21 ILE 58 HG21 ILE 58 -4.943 -3.426 -11.237 308 HG22 ILE 58 HG22 ILE 58 -4.500 -2.221 -12.451 309 HG23 ILE 58 HG23 ILE 58 -6.059 -2.113 -11.630 310 HD11 ILE 58 HD11 ILE 58 -5.678 0.681 -9.017 311 HD12 ILE 58 HD12 ILE 58 -4.126 0.120 -8.383 312 HD13 ILE 58 HD13 ILE 58 -5.619 -0.212 -7.495 313 H ALA 59 H ALA 59 -3.448 -3.859 -8.255 314 HA ALA 59 HA ALA 59 -3.115 -2.370 -5.890 315 HB1 ALA 59 HB1 ALA 59 -2.800 -5.326 -6.421 316 HB2 ALA 59 HB2 ALA 59 -4.198 -4.494 -5.736 317 HB3 ALA 59 HB3 ALA 59 -2.700 -4.611 -4.812 318 H THR 60 H THR 60 -0.871 -4.227 -7.865 319 HA THR 60 HA THR 60 1.443 -3.832 -6.308 320 HB THR 60 HB THR 60 1.157 -4.243 -9.290 321 HG1 THR 60 HG1 THR 60 0.933 -6.302 -8.785 322 HG21 THR 60 HG21 THR 60 3.343 -3.300 -8.620 323 HG22 THR 60 HG22 THR 60 3.473 -4.937 -9.271 324 HG23 THR 60 HG23 THR 60 3.573 -4.666 -7.529 325 H ASP 61 H ASP 61 0.008 -1.963 -8.944 326 HA ASP 61 HA ASP 61 1.875 0.024 -9.342 327 HB2 ASP 61 HB2 ASP 61 -0.319 -0.240 -10.563 328 HB3 ASP 61 HB3 ASP 61 -1.115 0.460 -9.167 329 H LEU 62 H LEU 62 -0.739 -0.024 -6.962 330 HA LEU 62 HA LEU 62 -0.091 2.459 -5.747 331 HB2 LEU 62 HB2 LEU 62 -1.558 0.152 -4.464 332 HB3 LEU 62 HB3 LEU 62 -1.707 1.853 -4.078 333 HG LEU 62 HG LEU 62 -2.673 0.492 -6.589 334 HD11 LEU 62 HD11 LEU 62 -3.994 0.124 -4.525 335 HD12 LEU 62 HD12 LEU 62 -4.870 0.999 -5.781 336 HD13 LEU 62 HD13 LEU 62 -4.210 1.870 -4.397 337 HD21 LEU 62 HD21 LEU 62 -3.588 2.663 -7.217 338 HD22 LEU 62 HD22 LEU 62 -1.831 2.729 -7.084 339 HD23 LEU 62 HD23 LEU 62 -2.838 3.398 -5.800 340 H ARG 63 H ARG 63 0.781 -0.885 -5.046 341 HA ARG 63 HA ARG 63 1.988 -0.388 -2.546 342 HB2 ARG 63 HB2 ARG 63 2.304 -2.628 -4.526 343 HB3 ARG 63 HB3 ARG 63 3.172 -2.594 -2.996 344 HG2 ARG 63 HG2 ARG 63 1.008 -2.439 -1.817 345 HG3 ARG 63 HG3 ARG 63 0.188 -2.597 -3.368 346 HD2 ARG 63 HD2 ARG 63 2.099 -4.622 -2.232 347 HD3 ARG 63 HD3 ARG 63 0.344 -4.711 -2.076 348 HE ARG 63 HE ARG 63 0.987 -4.431 -4.792 349 HH11 ARG 63 HH11 ARG 63 1.230 -6.815 -2.234 350 HH12 ARG 63 HH12 ARG 63 1.339 -8.155 -3.327 351 HH21 ARG 63 HH22 ARG 63 1.117 -6.222 -6.237 352 HH22 ARG 63 HH21 ARG 63 1.266 -7.831 -5.582 353 H GLN 64 H GLN 64 3.176 -0.108 -5.825 354 HA GLN 64 HA GLN 64 5.900 0.242 -5.210 355 HB2 GLN 64 HB2 GLN 64 4.274 1.514 -7.409 356 HB3 GLN 64 HB3 GLN 64 6.029 1.484 -7.339 357 HG2 GLN 64 HG2 GLN 64 5.989 -0.955 -7.454 358 HG3 GLN 64 HG3 GLN 64 4.229 -0.922 -7.536 359 HE21 GLN 64 HE22 GLN 64 4.183 -1.934 -9.524 360 HE22 GLN 64 HE21 GLN 64 4.641 -1.132 -10.983 361 H LYS 65 H LYS 65 3.198 2.534 -5.347 362 HA LYS 65 HA LYS 65 4.646 4.836 -4.653 363 HB2 LYS 65 HB2 LYS 65 2.365 4.951 -5.485 364 HB3 LYS 65 HB3 LYS 65 1.775 4.164 -4.033 365 HG2 LYS 65 HG2 LYS 65 1.326 6.440 -3.684 366 HG3 LYS 65 HG3 LYS 65 2.794 6.116 -2.767 367 HD2 LYS 65 HD2 LYS 65 3.121 7.051 -5.567 368 HD3 LYS 65 HD3 LYS 65 2.599 8.230 -4.357 369 HE2 LYS 65 HE2 LYS 65 4.507 7.799 -3.011 370 HE3 LYS 65 HE3 LYS 65 4.955 6.424 -4.005 371 HZ1 LYS 65 HZ1 LYS 65 5.711 7.775 -5.693 372 HZ2 LYS 65 HZ2 LYS 65 6.220 8.606 -4.301 373 HZ3 LYS 65 HZ3 LYS 65 4.846 9.138 -5.158 374 H VAL 66 H VAL 66 2.923 2.479 -2.681 375 HA VAL 66 HA VAL 66 3.443 3.475 -0.149 376 HB VAL 66 HB VAL 66 3.203 0.614 -1.091 377 HG11 VAL 66 HG11 VAL 66 4.502 0.943 1.072 378 HG12 VAL 66 HG12 VAL 66 3.097 -0.122 1.130 379 HG13 VAL 66 HG13 VAL 66 2.988 1.523 1.758 380 HG21 VAL 66 HG21 VAL 66 0.969 0.767 -0.212 381 HG22 VAL 66 HG22 VAL 66 1.241 2.091 -1.344 382 HG23 VAL 66 HG23 VAL 66 1.280 2.395 0.392 383 H TYR 67 H TYR 67 5.533 1.482 -2.223 384 HA TYR 67 HA TYR 67 7.600 1.235 -0.283 385 HB2 TYR 67 HB2 TYR 67 7.396 -0.334 -2.160 386 HB3 TYR 67 HB3 TYR 67 7.760 0.966 -3.292 387 HD1 TYR 67 HD1 TYR 67 9.210 -0.805 -0.341 388 HD2 TYR 67 HD2 TYR 67 9.954 1.324 -3.948 389 HE1 TYR 67 HE1 TYR 67 11.609 -1.309 -0.136 390 HE2 TYR 67 HE2 TYR 67 12.353 0.830 -3.755 391 HH TYR 67 HH TYR 67 13.987 0.199 -2.167 392 H GLU 68 H GLU 68 7.132 3.434 -3.052 393 HA GLU 68 HA GLU 68 9.546 4.824 -2.857 394 HB2 GLU 68 HB2 GLU 68 6.874 6.009 -3.631 395 HB3 GLU 68 HB3 GLU 68 8.459 6.635 -4.057 396 HG2 GLU 68 HG2 GLU 68 8.860 4.533 -5.329 397 HG3 GLU 68 HG3 GLU 68 7.183 4.092 -5.022 398 H LEU 69 H LEU 69 6.410 5.530 -1.369 399 HA LEU 69 HA LEU 69 7.123 7.900 -0.067 400 HB2 LEU 69 HB2 LEU 69 5.036 5.827 0.545 401 HB3 LEU 69 HB3 LEU 69 5.154 7.343 1.409 402 HG LEU 69 HG LEU 69 4.661 7.066 -1.559 403 HD11 LEU 69 HD11 LEU 69 2.840 6.399 0.127 404 HD12 LEU 69 HD12 LEU 69 2.427 7.521 -1.164 405 HD13 LEU 69 HD13 LEU 69 2.735 8.122 0.465 406 HD21 LEU 69 HD21 LEU 69 4.474 9.383 -1.675 407 HD22 LEU 69 HD22 LEU 69 5.889 9.148 -0.653 408 HD23 LEU 69 HD23 LEU 69 4.337 9.557 0.073 409 H MET 70 H MET 70 7.647 4.563 0.857 410 HA MET 70 HA MET 70 8.262 4.884 3.566 411 HB2 MET 70 HB2 MET 70 9.536 3.017 1.555 412 HB3 MET 70 HB3 MET 70 9.742 2.900 3.294 413 HG2 MET 70 HG2 MET 70 7.350 2.482 3.545 414 HG3 MET 70 HG3 MET 70 7.156 2.580 1.793 415 HE1 MET 70 HE1 MET 70 6.682 -1.196 2.148 416 HE2 MET 70 HE2 MET 70 6.062 0.340 1.542 417 HE3 MET 70 HE3 MET 70 6.086 0.021 3.277 418 H GLN 71 H GLN 71 10.351 5.155 0.701 419 HA GLN 71 HA GLN 71 12.600 5.935 2.360 420 HB2 GLN 71 HB2 GLN 71 13.778 6.029 0.107 421 HB3 GLN 71 HB3 GLN 71 13.195 4.453 0.629 422 HG2 GLN 71 HG2 GLN 71 11.295 4.619 -0.825 423 HG3 GLN 71 HG3 GLN 71 11.729 6.264 -1.268 424 HE21 GLN 71 HE22 GLN 71 14.025 3.658 -0.869 425 HE22 GLN 71 HE21 GLN 71 14.465 3.526 -2.539 426 H GLU 72 H GLU 72 10.115 7.440 0.524 427 HA GLU 72 HA GLU 72 11.375 9.941 0.080 428 HB2 GLU 72 HB2 GLU 72 8.454 9.286 0.495 429 HB3 GLU 72 HB3 GLU 72 9.055 10.852 -0.032 430 HG2 GLU 72 HG2 GLU 72 10.035 9.742 -2.027 431 HG3 GLU 72 HG3 GLU 72 9.267 8.246 -1.503 432 H GLY 73 H GLY 73 9.922 8.422 2.843 433 HA2 GLY 73 HA2 GLY 73 10.726 9.041 5.014 434 HA3 GLY 73 HA3 GLY 73 10.852 10.703 4.459 435 H LYS 74 H LYS 74 8.099 8.731 3.717 436 HA LYS 74 HA LYS 74 6.383 10.682 4.972 437 HB2 LYS 74 HB2 LYS 74 5.510 8.131 3.641 438 HB3 LYS 74 HB3 LYS 74 4.597 9.614 3.844 439 HG2 LYS 74 HG2 LYS 74 7.068 9.431 2.136 440 HG3 LYS 74 HG3 LYS 74 5.432 9.166 1.531 441 HD2 LYS 74 HD2 LYS 74 4.800 11.363 1.918 442 HD3 LYS 74 HD3 LYS 74 6.154 11.673 3.009 443 HE2 LYS 74 HE2 LYS 74 7.668 11.356 1.059 444 HE3 LYS 74 HE3 LYS 74 6.243 11.269 0.026 445 HZ1 LYS 74 HZ1 LYS 74 7.177 13.491 0.031 446 HZ2 LYS 74 HZ2 LYS 74 7.018 13.586 1.718 447 HZ3 LYS 74 HZ3 LYS 74 5.638 13.502 0.741 448 H SER 75 H SER 75 4.658 10.056 6.409 449 HA SER 75 HA SER 75 5.463 8.035 8.352 450 HB2 SER 75 HB2 SER 75 3.288 10.140 8.433 451 HB3 SER 75 HB3 SER 75 3.701 9.057 9.766 452 HG SER 75 HG SER 75 4.741 11.370 9.354 453 H LYS 76 H LYS 76 3.547 6.729 9.316 454 HA LYS 76 HA LYS 76 2.721 4.978 7.310 455 HB2 LYS 76 HB2 LYS 76 2.017 5.349 10.168 456 HB3 LYS 76 HB3 LYS 76 0.969 4.326 9.197 457 HG2 LYS 76 HG2 LYS 76 2.631 2.991 10.321 458 HG3 LYS 76 HG3 LYS 76 2.893 2.934 8.586 459 HD2 LYS 76 HD2 LYS 76 4.383 4.935 10.219 460 HD3 LYS 76 HD3 LYS 76 4.900 3.252 10.253 461 HE2 LYS 76 HE2 LYS 76 5.103 3.289 7.807 462 HE3 LYS 76 HE3 LYS 76 4.617 4.983 7.795 463 HZ1 LYS 76 HZ1 LYS 76 6.572 5.570 9.019 464 HZ2 LYS 76 HZ2 LYS 76 7.046 4.656 7.669 465 HZ3 LYS 76 HZ3 LYS 76 7.012 3.943 9.208 466 H LYS 77 H LYS 77 0.654 7.272 9.103 467 HA LYS 77 HA LYS 77 -1.610 6.986 7.441 468 HB2 LYS 77 HB2 LYS 77 -0.770 9.471 8.953 469 HB3 LYS 77 HB3 LYS 77 -2.400 9.037 8.451 470 HG2 LYS 77 HG2 LYS 77 -0.709 7.632 10.487 471 HG3 LYS 77 HG3 LYS 77 -2.143 8.620 10.800 472 HD2 LYS 77 HD2 LYS 77 -3.457 7.018 9.405 473 HD3 LYS 77 HD3 LYS 77 -2.012 6.007 9.307 474 HE2 LYS 77 HE2 LYS 77 -2.038 5.603 11.651 475 HE3 LYS 77 HE3 LYS 77 -3.280 6.831 11.911 476 HZ1 LYS 77 HZ1 LYS 77 -4.128 4.515 11.940 477 HZ2 LYS 77 HZ2 LYS 77 -3.693 4.359 10.307 478 HZ3 LYS 77 HZ3 LYS 77 -4.871 5.485 10.769 479 H GLU 78 H GLU 78 1.187 9.067 7.316 480 HA GLU 78 HA GLU 78 0.321 10.786 5.281 481 HB2 GLU 78 HB2 GLU 78 2.228 11.301 6.682 482 HB3 GLU 78 HB3 GLU 78 3.123 9.938 6.030 483 HG2 GLU 78 HG2 GLU 78 3.927 11.969 5.046 484 HG3 GLU 78 HG3 GLU 78 3.087 11.016 3.819 485 H ILE 79 H ILE 79 1.938 7.614 5.077 486 HA ILE 79 HA ILE 79 2.384 7.676 2.292 487 HB ILE 79 HB ILE 79 2.180 5.445 4.279 488 HG12 ILE 79 HG12 ILE 79 4.312 4.928 2.675 489 HG13 ILE 79 HG13 ILE 79 4.223 6.679 2.545 490 HG21 ILE 79 HG21 ILE 79 0.932 5.000 1.971 491 HG22 ILE 79 HG22 ILE 79 1.867 3.752 2.798 492 HG23 ILE 79 HG23 ILE 79 2.580 4.643 1.453 493 HD11 ILE 79 HD11 ILE 79 4.372 5.161 5.139 494 HD12 ILE 79 HD12 ILE 79 4.487 6.906 4.921 495 HD13 ILE 79 HD13 ILE 79 5.759 5.856 4.299 496 H VAL 80 H VAL 80 -0.323 6.305 4.162 497 HA VAL 80 HA VAL 80 -1.752 5.547 1.829 498 HB VAL 80 HB VAL 80 -2.271 4.302 3.759 499 HG11 VAL 80 HG11 VAL 80 -2.953 6.884 5.140 500 HG12 VAL 80 HG12 VAL 80 -1.553 5.864 5.465 501 HG13 VAL 80 HG13 VAL 80 -3.178 5.274 5.819 502 HG21 VAL 80 HG21 VAL 80 -4.185 4.799 2.315 503 HG22 VAL 80 HG22 VAL 80 -4.556 6.190 3.332 504 HG23 VAL 80 HG23 VAL 80 -4.666 4.560 3.996 505 H ASP 81 H ASP 81 -1.815 8.373 3.922 506 HA ASP 81 HA ASP 81 -4.049 9.623 2.731 507 HB2 ASP 81 HB2 ASP 81 -3.145 10.362 4.889 508 HB3 ASP 81 HB3 ASP 81 -1.663 10.877 4.102 509 H TYR 82 H TYR 82 -0.635 9.578 1.959 510 HA TYR 82 HA TYR 82 -0.623 11.539 -0.054 511 HB2 TYR 82 HB2 TYR 82 1.369 10.198 1.017 512 HB3 TYR 82 HB3 TYR 82 1.018 9.029 -0.245 513 HD1 TYR 82 HD2 TYR 82 1.418 9.530 -2.582 514 HD2 TYR 82 HD1 TYR 82 2.304 12.377 0.453 515 HE1 TYR 82 HE2 TYR 82 2.750 10.819 -4.191 516 HE2 TYR 82 HE1 TYR 82 3.639 13.676 -1.151 517 HH TYR 82 HH TYR 82 4.812 13.389 -3.217 518 H MET 83 H MET 83 -1.154 8.073 -0.083 519 HA MET 83 HA MET 83 -1.553 7.785 -2.845 520 HB2 MET 83 HB2 MET 83 -2.536 6.089 -0.547 521 HB3 MET 83 HB3 MET 83 -2.635 5.621 -2.240 522 HG2 MET 83 HG2 MET 83 0.018 6.301 -1.908 523 HG3 MET 83 HG3 MET 83 -0.401 5.493 -0.399 524 HE1 MET 83 HE1 MET 83 -0.345 5.181 -4.317 525 HE2 MET 83 HE2 MET 83 -2.031 4.889 -3.884 526 HE3 MET 83 HE3 MET 83 -1.047 3.577 -4.533 527 H VAL 84 H VAL 84 -3.856 8.356 -0.181 528 HA VAL 84 HA VAL 84 -6.103 8.141 -1.938 529 HB VAL 84 HB VAL 84 -7.466 9.006 -0.073 530 HG11 VAL 84 HG11 VAL 84 -5.484 6.978 0.917 531 HG12 VAL 84 HG12 VAL 84 -6.754 6.615 -0.252 532 HG13 VAL 84 HG13 VAL 84 -7.179 7.144 1.377 533 HG21 VAL 84 HG21 VAL 84 -6.476 9.477 2.094 534 HG22 VAL 84 HG22 VAL 84 -5.842 10.586 0.886 535 HG23 VAL 84 HG23 VAL 84 -4.861 9.235 1.430 536 H ALA 85 H ALA 85 -4.054 10.756 -0.888 537 HA ALA 85 HA ALA 85 -5.692 12.902 -1.701 538 HB1 ALA 85 HB1 ALA 85 -3.350 14.044 -1.888 539 HB2 ALA 85 HB2 ALA 85 -2.784 12.547 -1.147 540 HB3 ALA 85 HB3 ALA 85 -3.975 13.550 -0.315 541 H ARG 86 H ARG 86 -3.091 11.155 -3.401 542 HA ARG 86 HA ARG 86 -3.678 12.658 -5.840 543 HB2 ARG 86 HB2 ARG 86 -1.467 10.788 -5.052 544 HB3 ARG 86 HB3 ARG 86 -1.732 11.202 -6.739 545 HG2 ARG 86 HG2 ARG 86 -0.073 12.675 -6.007 546 HG3 ARG 86 HG3 ARG 86 -1.558 13.628 -6.002 547 HD2 ARG 86 HD2 ARG 86 -1.785 13.204 -3.584 548 HD3 ARG 86 HD3 ARG 86 -0.253 12.334 -3.610 549 HE ARG 86 HE ARG 86 0.283 14.805 -4.701 550 HH11 ARG 86 HH11 ARG 86 -0.904 13.576 -1.649 551 HH12 ARG 86 HH12 ARG 86 -0.325 14.924 -0.725 552 HH21 ARG 86 HH22 ARG 86 1.078 16.568 -3.486 553 HH22 ARG 86 HH21 ARG 86 0.828 16.613 -1.768 554 H TYR 87 H TYR 87 -3.450 9.273 -4.812 555 HA TYR 87 HA TYR 87 -4.636 8.383 -7.330 556 HB2 TYR 87 HB2 TYR 87 -3.436 6.809 -5.048 557 HB3 TYR 87 HB3 TYR 87 -3.960 6.140 -6.585 558 HD1 TYR 87 HD2 TYR 87 -2.783 7.243 -8.703 559 HD2 TYR 87 HD1 TYR 87 -1.193 7.296 -4.755 560 HE1 TYR 87 HE2 TYR 87 -0.531 7.608 -9.620 561 HE2 TYR 87 HE1 TYR 87 1.073 7.660 -5.658 562 HH TYR 87 HH TYR 87 2.287 7.220 -7.831 563 H GLY 88 H GLY 88 -6.195 9.737 -5.182 564 HA2 GLY 88 HA2 GLY 88 -7.597 7.786 -3.656 565 HA3 GLY 88 HA3 GLY 88 -8.034 9.475 -3.827 566 H ASN 89 H ASN 89 -7.803 8.149 -6.872 567 HA ASN 89 HA ASN 89 -10.688 7.695 -6.986 568 HB2 ASN 89 HB2 ASN 89 -9.573 9.223 -8.645 569 HB3 ASN 89 HB3 ASN 89 -8.714 7.824 -9.275 570 HD21 ASN 89 HD22 ASN 89 -9.623 8.035 -11.297 571 HD22 ASN 89 HD21 ASN 89 -11.284 7.634 -11.618 572 H PHE 90 H PHE 90 -7.862 6.027 -6.574 573 HA PHE 90 HA PHE 90 -9.104 3.510 -7.464 574 HB2 PHE 90 HB2 PHE 90 -6.149 4.157 -7.517 575 HB3 PHE 90 HB3 PHE 90 -6.881 2.628 -7.989 576 HD1 PHE 90 HD2 PHE 90 -8.429 2.599 -9.977 577 HD2 PHE 90 HD1 PHE 90 -5.937 5.914 -9.030 578 HE1 PHE 90 HE2 PHE 90 -8.651 3.417 -12.288 579 HE2 PHE 90 HE1 PHE 90 -6.154 6.741 -11.337 580 HZ PHE 90 HZ PHE 90 -7.508 5.493 -12.969 581 H VAL 91 H VAL 91 -7.586 5.308 -4.985 582 HA VAL 91 HA VAL 91 -7.378 2.902 -3.298 583 HB VAL 91 HB VAL 91 -5.435 3.629 -2.336 584 HG11 VAL 91 HG11 VAL 91 -5.095 5.274 -4.825 585 HG12 VAL 91 HG12 VAL 91 -5.174 3.504 -4.876 586 HG13 VAL 91 HG13 VAL 91 -3.896 4.300 -3.957 587 HG21 VAL 91 HG21 VAL 91 -6.253 5.671 -1.400 588 HG22 VAL 91 HG22 VAL 91 -6.254 6.449 -2.983 589 HG23 VAL 91 HG23 VAL 91 -4.727 6.007 -2.219 590 H THR 92 H THR 92 -7.641 3.415 -0.913 591 HA THR 92 HA THR 92 -9.120 5.832 -0.290 592 HB THR 92 HB THR 92 -10.367 3.087 -0.020 593 HG1 THR 92 HG1 THR 92 -10.494 4.944 -1.929 594 HG21 THR 92 HG21 THR 92 -10.825 4.415 1.968 595 HG22 THR 92 HG22 THR 92 -12.286 4.231 0.990 596 HG23 THR 92 HG23 THR 92 -11.388 5.749 0.960 597 H TYR 93 H TYR 93 -8.945 6.411 1.875 598 HA TYR 93 HA TYR 93 -7.448 4.583 3.609 599 HB2 TYR 93 HB2 TYR 93 -6.562 6.853 3.548 600 HB3 TYR 93 HB3 TYR 93 -8.144 7.524 3.929 601 HD1 TYR 93 HD1 TYR 93 -5.357 5.494 5.291 602 HD2 TYR 93 HD2 TYR 93 -8.880 7.704 6.187 603 HE1 TYR 93 HE1 TYR 93 -4.841 5.331 7.688 604 HE2 TYR 93 HE2 TYR 93 -8.370 7.551 8.588 605 HH TYR 93 HH TYR 93 -7.017 5.834 10.069 606 H ASP 94 H ASP 94 -8.730 3.188 4.664 607 HA ASP 94 HA ASP 94 -11.099 4.160 6.045 608 HB2 ASP 94 HB2 ASP 94 -11.269 2.746 3.516 609 HB3 ASP 94 HB3 ASP 94 -11.990 1.803 4.818 610 HA PRO 95 HA PRO 95 -10.256 0.613 8.720 611 HB2 PRO 95 HB3 PRO 95 -12.800 0.142 9.554 612 HB3 PRO 95 HB2 PRO 95 -11.836 1.482 10.188 613 HG2 PRO 95 HG2 PRO 95 -13.907 1.508 8.013 614 HG3 PRO 95 HG3 PRO 95 -13.721 2.622 9.387 615 HD2 PRO 95 HD2 PRO 95 -12.841 3.256 6.933 616 HD3 PRO 95 HD3 PRO 95 -11.940 3.730 8.393 617 HA PRO 96 HA PRO 96 -11.332 -2.594 5.879 618 HB2 PRO 96 HB3 PRO 96 -10.646 -4.710 7.627 619 HB3 PRO 96 HB2 PRO 96 -9.598 -3.915 6.457 620 HG2 PRO 96 HG2 PRO 96 -9.367 -3.813 9.250 621 HG3 PRO 96 HG3 PRO 96 -8.494 -2.818 8.076 622 HD2 PRO 96 HD2 PRO 96 -10.848 -2.161 9.742 623 HD3 PRO 96 HD3 PRO 96 -9.586 -1.098 9.086 624 H LEU 97 H LEU 97 -12.340 -5.001 6.156 625 HA LEU 97 HA LEU 97 -15.061 -4.515 7.044 626 HB2 LEU 97 HB2 LEU 97 -13.706 -6.760 5.591 627 HB3 LEU 97 HB3 LEU 97 -15.376 -6.868 6.103 628 HG LEU 97 HG LEU 97 -15.378 -6.277 3.791 629 HD11 LEU 97 HD11 LEU 97 -16.551 -4.140 3.803 630 HD12 LEU 97 HD12 LEU 97 -15.939 -3.807 5.423 631 HD13 LEU 97 HD13 LEU 97 -17.049 -5.152 5.159 632 HD21 LEU 97 HD21 LEU 97 -13.088 -5.424 3.618 633 HD22 LEU 97 HD22 LEU 97 -13.568 -3.963 4.483 634 HD23 LEU 97 HD23 LEU 97 -14.250 -4.311 2.895 635 H THR 98 H THR 98 -12.596 -5.038 8.737 636 HA THR 98 HA THR 98 -12.672 -7.363 10.161 637 HB THR 98 HB THR 98 -10.948 -5.653 10.475 638 HG1 THR 98 HG1 THR 98 -11.799 -5.623 13.064 639 HG21 THR 98 HG21 THR 98 -11.350 -3.648 11.798 640 HG22 THR 98 HG22 THR 98 -13.058 -4.065 11.934 641 HG23 THR 98 HG23 THR 98 -12.372 -3.664 10.359 642 HA PRO 99 HA PRO 99 -16.646 -7.298 12.205 643 HB2 PRO 99 HB3 PRO 99 -16.123 -9.298 13.990 644 HB3 PRO 99 HB2 PRO 99 -16.556 -9.580 12.301 645 HG2 PRO 99 HG2 PRO 99 -13.871 -9.626 13.605 646 HG3 PRO 99 HG3 PRO 99 -14.526 -10.677 12.337 647 HD2 PRO 99 HD2 PRO 99 -12.799 -8.632 11.840 648 HD3 PRO 99 HD3 PRO 99 -14.008 -9.189 10.668 Start of MODEL 4 1 H THR 19 H1 THR 19 13.869 -10.891 -3.964 2 HA THR 19 HA THR 19 12.029 -10.778 -2.460 3 HB THR 19 HB THR 19 11.923 -7.848 -3.184 4 HG1 THR 19 HG1 THR 19 12.562 -9.199 -0.740 5 HG21 THR 19 HG21 THR 19 10.063 -7.735 -1.586 6 HG22 THR 19 HG22 THR 19 10.155 -9.481 -1.357 7 HG23 THR 19 HG23 THR 19 9.691 -8.823 -2.926 8 H ILE 20 H ILE 20 11.996 -8.611 -5.286 9 HA ILE 20 HA ILE 20 10.603 -10.428 -6.935 10 HB ILE 20 HB ILE 20 8.740 -9.986 -5.410 11 HG12 ILE 20 HG12 ILE 20 8.462 -10.259 -7.973 12 HG13 ILE 20 HG13 ILE 20 7.076 -9.745 -7.024 13 HG21 ILE 20 HG21 ILE 20 8.957 -7.105 -6.252 14 HG22 ILE 20 HG22 ILE 20 9.377 -7.754 -4.667 15 HG23 ILE 20 HG23 ILE 20 7.702 -7.797 -5.222 16 HD11 ILE 20 HD11 ILE 20 7.241 -8.508 -9.099 17 HD12 ILE 20 HD12 ILE 20 8.869 -7.980 -8.671 18 HD13 ILE 20 HD13 ILE 20 7.485 -7.434 -7.720 19 H ASP 21 H ASP 21 11.275 -7.041 -6.219 20 HA ASP 21 HA ASP 21 11.953 -6.587 -9.026 21 HB2 ASP 21 HB2 ASP 21 9.470 -6.000 -8.469 22 HB3 ASP 21 HB3 ASP 21 10.149 -4.647 -7.572 23 H VAL 22 H VAL 22 12.090 -3.664 -8.523 24 HA VAL 22 HA VAL 22 14.531 -3.453 -7.056 25 HB VAL 22 HB VAL 22 13.885 -1.830 -8.813 26 HG11 VAL 22 HG11 VAL 22 11.858 -0.886 -6.849 27 HG12 VAL 22 HG12 VAL 22 11.520 -1.675 -8.381 28 HG13 VAL 22 HG13 VAL 22 12.267 -0.076 -8.351 29 HG21 VAL 22 HG21 VAL 22 15.558 -1.199 -7.156 30 HG22 VAL 22 HG22 VAL 22 14.281 -0.564 -6.117 31 HG23 VAL 22 HG23 VAL 22 14.610 0.195 -7.675 32 H LEU 23 H LEU 23 11.311 -3.747 -6.219 33 HA LEU 23 HA LEU 23 11.291 -2.375 -3.718 34 HB2 LEU 23 HB2 LEU 23 9.477 -4.640 -4.510 35 HB3 LEU 23 HB3 LEU 23 9.133 -3.294 -3.440 36 HG LEU 23 HG LEU 23 9.468 -3.120 -6.438 37 HD11 LEU 23 HD11 LEU 23 7.025 -2.971 -4.687 38 HD12 LEU 23 HD12 LEU 23 7.403 -4.206 -5.885 39 HD13 LEU 23 HD13 LEU 23 7.058 -2.555 -6.399 40 HD21 LEU 23 HD21 LEU 23 10.229 -1.078 -5.457 41 HD22 LEU 23 HD22 LEU 23 8.838 -1.015 -4.376 42 HD23 LEU 23 HD23 LEU 23 8.616 -0.799 -6.111 43 H GLN 24 H GLN 24 13.289 -3.237 -2.879 44 HA GLN 24 HA GLN 24 13.296 -6.041 -2.100 45 HB2 GLN 24 HB2 GLN 24 15.363 -3.869 -1.768 46 HB3 GLN 24 HB3 GLN 24 15.583 -5.531 -1.255 47 HG2 GLN 24 HG2 GLN 24 15.044 -4.738 -4.100 48 HG3 GLN 24 HG3 GLN 24 16.663 -4.896 -3.424 49 HE21 GLN 24 HE22 GLN 24 17.284 -6.573 -4.708 50 HE22 GLN 24 HE21 GLN 24 16.609 -8.168 -4.597 51 H PHE 25 H PHE 25 12.735 -6.712 -0.103 52 HA PHE 25 HA PHE 25 12.571 -4.679 2.029 53 HB2 PHE 25 HB2 PHE 25 11.330 -7.438 1.964 54 HB3 PHE 25 HB3 PHE 25 11.147 -6.249 3.261 55 HD1 PHE 25 HD1 PHE 25 10.212 -3.924 2.494 56 HD2 PHE 25 HD2 PHE 25 9.705 -7.554 0.333 57 HE1 PHE 25 HE1 PHE 25 8.246 -2.970 1.363 58 HE2 PHE 25 HE2 PHE 25 7.739 -6.607 -0.806 59 HZ PHE 25 HZ PHE 25 7.031 -4.306 -0.318 60 H LYS 26 H LYS 26 13.985 -4.624 3.486 61 HA LYS 26 HA LYS 26 16.306 -6.107 3.579 62 HB2 LYS 26 HB2 LYS 26 16.517 -4.105 4.644 63 HB3 LYS 26 HB3 LYS 26 14.895 -4.160 5.292 64 HG2 LYS 26 HG2 LYS 26 16.651 -6.140 6.492 65 HG3 LYS 26 HG3 LYS 26 17.201 -4.472 6.725 66 HD2 LYS 26 HD2 LYS 26 14.562 -4.192 7.222 67 HD3 LYS 26 HD3 LYS 26 14.807 -5.856 7.759 68 HE2 LYS 26 HE2 LYS 26 16.496 -3.535 8.667 69 HE3 LYS 26 HE3 LYS 26 15.093 -4.130 9.547 70 HZ1 LYS 26 HZ1 LYS 26 17.207 -5.017 10.388 71 HZ2 LYS 26 HZ2 LYS 26 17.487 -5.773 8.892 72 HZ3 LYS 26 HZ3 LYS 26 16.161 -6.235 9.849 73 H ASP 27 H ASP 27 13.271 -6.615 5.172 74 HA ASP 27 HA ASP 27 13.849 -9.285 5.904 75 HB2 ASP 27 HB2 ASP 27 15.127 -8.354 7.713 76 HB3 ASP 27 HB3 ASP 27 13.887 -7.157 8.055 77 H GLU 28 H GLU 28 11.875 -10.091 7.330 78 HA GLU 28 HA GLU 28 9.482 -9.418 6.068 79 HB2 GLU 28 HB2 GLU 28 8.406 -10.803 7.609 80 HB3 GLU 28 HB3 GLU 28 10.044 -11.436 7.601 81 HG2 GLU 28 HG2 GLU 28 10.184 -9.584 9.595 82 HG3 GLU 28 HG3 GLU 28 8.524 -10.159 9.744 83 H ALA 29 H ALA 29 11.151 -7.939 8.742 84 HA ALA 29 HA ALA 29 9.091 -6.413 9.849 85 HB1 ALA 29 HB1 ALA 29 10.775 -5.094 10.864 86 HB2 ALA 29 HB2 ALA 29 11.944 -5.477 9.595 87 HB3 ALA 29 HB3 ALA 29 11.438 -6.724 10.740 88 H GLN 30 H GLN 30 11.334 -5.633 7.187 89 HA GLN 30 HA GLN 30 10.378 -3.023 6.709 90 HB2 GLN 30 HB2 GLN 30 12.490 -4.257 5.686 91 HB3 GLN 30 HB3 GLN 30 11.343 -4.762 4.461 92 HG2 GLN 30 HG2 GLN 30 11.015 -2.644 3.670 93 HG3 GLN 30 HG3 GLN 30 11.507 -1.889 5.188 94 HE21 GLN 30 HE22 GLN 30 13.649 -1.522 5.585 95 HE22 GLN 30 HE21 GLN 30 14.874 -1.686 4.368 96 H GLU 31 H GLU 31 9.378 -6.178 5.727 97 HA GLU 31 HA GLU 31 7.414 -5.314 3.834 98 HB2 GLU 31 HB2 GLU 31 8.560 -7.428 3.568 99 HB3 GLU 31 HB3 GLU 31 7.991 -7.980 5.128 100 HG2 GLU 31 HG2 GLU 31 5.667 -7.869 4.235 101 HG3 GLU 31 HG3 GLU 31 6.355 -7.501 2.653 102 H GLN 32 H GLN 32 7.509 -5.688 7.261 103 HA GLN 32 HA GLN 32 4.684 -6.041 7.661 104 HB2 GLN 32 HB2 GLN 32 6.835 -4.987 9.521 105 HB3 GLN 32 HB3 GLN 32 5.173 -5.279 10.002 106 HG2 GLN 32 HG2 GLN 32 5.545 -7.683 9.322 107 HG3 GLN 32 HG3 GLN 32 7.256 -7.281 9.201 108 HE21 GLN 32 HE22 GLN 32 8.415 -6.836 11.059 109 HE22 GLN 32 HE21 GLN 32 7.817 -7.182 12.646 110 H GLN 33 H GLN 33 6.908 -3.259 7.613 111 HA GLN 33 HA GLN 33 4.964 -1.281 8.086 112 HB2 GLN 33 HB2 GLN 33 7.336 -0.721 8.063 113 HB3 GLN 33 HB3 GLN 33 7.447 -1.130 6.360 114 HG2 GLN 33 HG2 GLN 33 6.066 0.720 5.754 115 HG3 GLN 33 HG3 GLN 33 5.683 1.043 7.448 116 HE21 GLN 33 HE22 GLN 33 8.175 1.203 5.006 117 HE22 GLN 33 HE21 GLN 33 9.192 2.326 5.851 118 H PHE 34 H PHE 34 6.110 -2.819 5.143 119 HA PHE 34 HA PHE 34 4.414 -1.594 3.302 120 HB2 PHE 34 HB2 PHE 34 6.297 -3.029 2.658 121 HB3 PHE 34 HB3 PHE 34 5.491 -4.426 3.357 122 HD1 PHE 34 HD1 PHE 34 5.263 -1.902 0.666 123 HD2 PHE 34 HD2 PHE 34 3.973 -5.690 2.109 124 HE1 PHE 34 HE1 PHE 34 4.222 -2.373 -1.513 125 HE2 PHE 34 HE2 PHE 34 2.928 -6.168 -0.066 126 HZ PHE 34 HZ PHE 34 3.052 -4.508 -1.879 127 H ARG 35 H ARG 35 3.939 -4.335 5.464 128 HA ARG 35 HA ARG 35 1.440 -5.226 4.621 129 HB2 ARG 35 HB2 ARG 35 3.182 -5.610 6.852 130 HB3 ARG 35 HB3 ARG 35 1.561 -5.346 7.469 131 HG2 ARG 35 HG2 ARG 35 2.007 -7.689 7.191 132 HG3 ARG 35 HG3 ARG 35 0.738 -7.176 6.073 133 HD2 ARG 35 HD2 ARG 35 3.033 -6.811 4.624 134 HD3 ARG 35 HD3 ARG 35 3.393 -8.264 5.552 135 HE ARG 35 HE ARG 35 0.794 -8.371 4.350 136 HH11 ARG 35 HH11 ARG 35 4.198 -8.866 3.743 137 HH12 ARG 35 HH12 ARG 35 3.943 -9.989 2.440 138 HH21 ARG 35 HH22 ARG 35 0.435 -9.846 2.631 139 HH22 ARG 35 HH21 ARG 35 1.801 -10.545 1.816 140 H GLN 36 H GLN 36 2.214 -2.802 7.125 141 HA GLN 36 HA GLN 36 -0.519 -2.245 7.683 142 HB2 GLN 36 HB2 GLN 36 1.938 -0.582 8.275 143 HB3 GLN 36 HB3 GLN 36 0.342 -0.333 8.972 144 HG2 GLN 36 HG2 GLN 36 1.976 -2.830 9.318 145 HG3 GLN 36 HG3 GLN 36 1.909 -1.505 10.478 146 HE21 GLN 36 HE22 GLN 36 -0.933 -1.013 9.999 147 HE22 GLN 36 HE21 GLN 36 -1.777 -2.300 10.783 148 H LEU 37 H LEU 37 1.939 -0.698 5.715 149 HA LEU 37 HA LEU 37 0.438 1.591 5.070 150 HB2 LEU 37 HB2 LEU 37 2.747 0.287 3.627 151 HB3 LEU 37 HB3 LEU 37 2.097 1.868 3.229 152 HG LEU 37 HG LEU 37 3.504 1.040 5.763 153 HD11 LEU 37 HD11 LEU 37 5.050 1.461 4.021 154 HD12 LEU 37 HD12 LEU 37 5.045 2.884 5.064 155 HD13 LEU 37 HD13 LEU 37 4.190 2.918 3.521 156 HD21 LEU 37 HD21 LEU 37 3.260 3.487 6.355 157 HD22 LEU 37 HD22 LEU 37 1.813 2.490 6.510 158 HD23 LEU 37 HD23 LEU 37 2.003 3.560 5.120 159 H THR 38 H THR 38 0.324 -1.648 3.839 160 HA THR 38 HA THR 38 -1.267 -0.778 1.549 161 HB THR 38 HB THR 38 -1.283 -3.227 0.943 162 HG1 THR 38 HG1 THR 38 0.835 -3.416 2.830 163 HG21 THR 38 HG21 THR 38 1.183 -1.544 1.053 164 HG22 THR 38 HG22 THR 38 0.172 -1.956 -0.331 165 HG23 THR 38 HG23 THR 38 1.250 -3.165 0.368 166 H GLU 39 H GLU 39 -1.631 -2.379 4.666 167 HA GLU 39 HA GLU 39 -4.290 -3.333 3.945 168 HB2 GLU 39 HB2 GLU 39 -2.702 -3.679 6.483 169 HB3 GLU 39 HB3 GLU 39 -4.292 -4.371 6.199 170 HG2 GLU 39 HG2 GLU 39 -3.294 -5.535 4.195 171 HG3 GLU 39 HG3 GLU 39 -1.722 -5.007 4.790 172 H GLU 40 H GLU 40 -2.956 -0.566 5.412 173 HA GLU 40 HA GLU 40 -5.373 0.028 6.912 174 HB2 GLU 40 HB2 GLU 40 -2.961 0.735 7.554 175 HB3 GLU 40 HB3 GLU 40 -3.165 1.997 6.347 176 HG2 GLU 40 HG2 GLU 40 -4.968 2.968 7.545 177 HG3 GLU 40 HG3 GLU 40 -5.061 1.593 8.643 178 H LEU 41 H LEU 41 -4.567 -0.021 3.785 179 HA LEU 41 HA LEU 41 -6.067 2.368 3.008 180 HB2 LEU 41 HB2 LEU 41 -3.959 2.161 1.898 181 HB3 LEU 41 HB3 LEU 41 -4.270 0.493 1.475 182 HG LEU 41 HG LEU 41 -5.928 1.137 -0.137 183 HD11 LEU 41 HD11 LEU 41 -6.984 2.960 0.974 184 HD12 LEU 41 HD12 LEU 41 -6.369 3.543 -0.580 185 HD13 LEU 41 HD13 LEU 41 -5.503 3.925 0.910 186 HD21 LEU 41 HD21 LEU 41 -3.739 1.141 -1.024 187 HD22 LEU 41 HD22 LEU 41 -3.364 2.692 -0.274 188 HD23 LEU 41 HD23 LEU 41 -4.506 2.616 -1.614 189 H ARG 42 H ARG 42 -8.056 2.245 2.094 190 HA ARG 42 HA ARG 42 -9.299 -0.380 2.072 191 HB2 ARG 42 HB2 ARG 42 -10.258 1.958 3.043 192 HB3 ARG 42 HB3 ARG 42 -10.910 2.010 1.412 193 HG2 ARG 42 HG2 ARG 42 -11.731 -0.388 1.894 194 HG3 ARG 42 HG3 ARG 42 -11.461 0.038 3.584 195 HD2 ARG 42 HD2 ARG 42 -12.959 1.944 3.353 196 HD3 ARG 42 HD3 ARG 42 -13.216 1.542 1.656 197 HE ARG 42 HE ARG 42 -13.863 -0.576 3.517 198 HH11 ARG 42 HH11 ARG 42 -15.060 2.241 1.825 199 HH12 ARG 42 HH12 ARG 42 -16.719 1.732 1.864 200 HH21 ARG 42 HH22 ARG 42 -16.031 -1.242 3.607 201 HH22 ARG 42 HH21 ARG 42 -17.274 -0.268 2.873 202 H CYS 43 H CYS 43 -10.279 -1.283 0.334 203 HA CYS 43 HA CYS 43 -10.304 0.186 -2.201 204 HB2 CYS 43 HB2 CYS 43 -9.799 -2.100 -3.278 205 HB3 CYS 43 HB3 CYS 43 -8.454 -1.246 -2.524 206 HG CYS 43 HG CYS 43 -10.201 -3.663 -0.847 207 HA PRO 44 HA PRO 44 -14.541 -0.936 -1.963 208 HB2 PRO 44 HB3 PRO 44 -14.787 -0.520 -4.842 209 HB3 PRO 44 HB2 PRO 44 -15.417 0.459 -3.511 210 HG2 PRO 44 HG2 PRO 44 -13.406 1.300 -5.116 211 HG3 PRO 44 HG3 PRO 44 -13.532 1.769 -3.409 212 HD2 PRO 44 HD2 PRO 44 -11.804 -0.329 -4.677 213 HD3 PRO 44 HD3 PRO 44 -11.399 0.854 -3.413 214 H LYS 45 H LYS 45 -13.605 -3.276 -1.720 215 HA LYS 45 HA LYS 45 -15.310 -4.911 -3.342 216 HB2 LYS 45 HB2 LYS 45 -13.313 -4.752 -4.805 217 HB3 LYS 45 HB3 LYS 45 -12.322 -5.389 -3.502 218 HG2 LYS 45 HG2 LYS 45 -13.534 -7.491 -3.584 219 HG3 LYS 45 HG3 LYS 45 -14.592 -6.849 -4.841 220 HD2 LYS 45 HD2 LYS 45 -12.699 -6.623 -6.350 221 HD3 LYS 45 HD3 LYS 45 -11.599 -7.184 -5.089 222 HE2 LYS 45 HE2 LYS 45 -12.720 -9.346 -5.053 223 HE3 LYS 45 HE3 LYS 45 -13.866 -8.786 -6.269 224 HZ1 LYS 45 HZ1 LYS 45 -10.940 -9.131 -6.648 225 HZ2 LYS 45 HZ2 LYS 45 -12.007 -8.516 -7.815 226 HZ3 LYS 45 HZ3 LYS 45 -12.162 -10.119 -7.288 227 H CYS 46 H CYS 46 -16.163 -6.338 -2.005 228 HA CYS 46 HA CYS 46 -15.348 -6.637 0.669 229 HB2 CYS 46 HB2 CYS 46 -17.139 -8.443 -0.953 230 HB3 CYS 46 HB3 CYS 46 -17.055 -8.370 0.805 231 HG CYS 46 HG CYS 46 -19.022 -6.744 0.969 232 H GLN 47 H GLN 47 -14.632 -8.438 -2.210 233 HA GLN 47 HA GLN 47 -13.250 -10.481 -0.626 234 HB2 GLN 47 HB2 GLN 47 -13.777 -10.486 -3.596 235 HB3 GLN 47 HB3 GLN 47 -13.321 -11.857 -2.586 236 HG2 GLN 47 HG2 GLN 47 -15.517 -11.337 -1.323 237 HG3 GLN 47 HG3 GLN 47 -15.934 -10.421 -2.765 238 HE21 GLN 47 HE22 GLN 47 -14.482 -12.261 -4.525 239 HE22 GLN 47 HE21 GLN 47 -15.484 -13.664 -4.661 240 H ASN 48 H ASN 48 -12.254 -7.849 -0.843 241 HA ASN 48 HA ASN 48 -9.569 -8.434 -1.808 242 HB2 ASN 48 HB2 ASN 48 -11.056 -7.179 -3.591 243 HB3 ASN 48 HB3 ASN 48 -10.803 -5.788 -2.546 244 HD21 ASN 48 HD22 ASN 48 -8.700 -4.952 -2.318 245 HD22 ASN 48 HD21 ASN 48 -7.466 -5.311 -3.469 246 H ASN 49 H ASN 49 -8.956 -8.420 0.385 247 HA ASN 49 HA ASN 49 -10.155 -6.738 2.295 248 HB2 ASN 49 HB2 ASN 49 -7.581 -8.303 2.431 249 HB3 ASN 49 HB3 ASN 49 -8.276 -7.451 3.804 250 HD21 ASN 49 HD22 ASN 49 -11.027 -8.119 2.842 251 HD22 ASN 49 HD21 ASN 49 -11.262 -9.772 3.290 252 H SER 50 H SER 50 -7.326 -6.277 0.317 253 HA SER 50 HA SER 50 -7.285 -3.489 0.844 254 HB2 SER 50 HB2 SER 50 -4.992 -3.410 1.841 255 HB3 SER 50 HB3 SER 50 -6.185 -4.143 2.916 256 HG SER 50 HG SER 50 -4.785 -5.717 2.986 257 H ILE 51 H ILE 51 -4.826 -2.746 -0.083 258 HA ILE 51 HA ILE 51 -4.784 -3.860 -2.723 259 HB ILE 51 HB ILE 51 -2.784 -2.458 -3.118 260 HG12 ILE 51 HG12 ILE 51 -3.246 -1.412 -0.319 261 HG13 ILE 51 HG13 ILE 51 -1.964 -2.544 -0.738 262 HG21 ILE 51 HG21 ILE 51 -4.946 -1.551 -3.611 263 HG22 ILE 51 HG22 ILE 51 -3.972 -0.282 -2.862 264 HG23 ILE 51 HG23 ILE 51 -5.201 -1.122 -1.917 265 HD11 ILE 51 HD11 ILE 51 -2.290 0.218 -1.884 266 HD12 ILE 51 HD12 ILE 51 -0.977 -0.910 -2.224 267 HD13 ILE 51 HD13 ILE 51 -1.166 -0.239 -0.604 268 H ALA 52 H ALA 52 -3.396 -4.686 0.259 269 HA ALA 52 HA ALA 52 -1.171 -6.192 -0.769 270 HB1 ALA 52 HB1 ALA 52 -2.551 -6.505 1.901 271 HB2 ALA 52 HB2 ALA 52 -1.290 -5.315 1.572 272 HB3 ALA 52 HB3 ALA 52 -0.926 -7.036 1.468 273 H ASP 53 H ASP 53 -4.340 -7.066 0.614 274 HA ASP 53 HA ASP 53 -4.242 -9.653 -0.744 275 HB2 ASP 53 HB2 ASP 53 -5.093 -9.589 1.571 276 HB3 ASP 53 HB3 ASP 53 -6.354 -8.464 1.079 277 H SER 54 H SER 54 -4.292 -8.814 -2.886 278 HA SER 54 HA SER 54 -6.867 -7.648 -3.656 279 HB2 SER 54 HB2 SER 54 -5.584 -6.153 -5.231 280 HB3 SER 54 HB3 SER 54 -5.390 -5.780 -3.518 281 HG SER 54 HG SER 54 -3.345 -6.194 -3.689 282 H ASN 55 H ASN 55 -7.502 -7.933 -5.799 283 HA ASN 55 HA ASN 55 -6.092 -10.070 -7.267 284 HB2 ASN 55 HB2 ASN 55 -8.967 -9.161 -7.548 285 HB3 ASN 55 HB3 ASN 55 -8.225 -10.518 -8.384 286 HD21 ASN 55 HD22 ASN 55 -6.740 -11.349 -5.992 287 HD22 ASN 55 HD21 ASN 55 -7.908 -12.106 -4.962 288 H SER 56 H SER 56 -6.126 -6.896 -7.138 289 HA SER 56 HA SER 56 -6.751 -6.332 -9.926 290 HB2 SER 56 HB2 SER 56 -7.755 -4.917 -8.192 291 HB3 SER 56 HB3 SER 56 -6.146 -4.418 -7.674 292 HG SER 56 HG SER 56 -7.625 -3.690 -9.903 293 H MET 57 H MET 57 -5.320 -5.843 -11.392 294 HA MET 57 HA MET 57 -2.551 -6.240 -11.059 295 HB2 MET 57 HB2 MET 57 -3.592 -4.587 -13.314 296 HB3 MET 57 HB3 MET 57 -2.392 -5.867 -13.335 297 HG2 MET 57 HG2 MET 57 -3.922 -7.260 -14.080 298 HG3 MET 57 HG3 MET 57 -4.823 -7.042 -12.580 299 HE1 MET 57 HE1 MET 57 -7.295 -4.174 -13.444 300 HE2 MET 57 HE2 MET 57 -5.892 -4.366 -12.389 301 HE3 MET 57 HE3 MET 57 -7.146 -5.610 -12.432 302 H ILE 58 H ILE 58 -4.625 -3.490 -10.898 303 HA ILE 58 HA ILE 58 -2.607 -1.506 -11.222 304 HB ILE 58 HB ILE 58 -4.275 0.038 -11.192 305 HG12 ILE 58 HG12 ILE 58 -6.520 -0.515 -9.912 306 HG13 ILE 58 HG13 ILE 58 -5.473 -1.592 -8.994 307 HG21 ILE 58 HG21 ILE 58 -5.649 -2.580 -11.748 308 HG22 ILE 58 HG22 ILE 58 -4.937 -1.444 -12.902 309 HG23 ILE 58 HG23 ILE 58 -6.414 -1.013 -12.039 310 HD11 ILE 58 HD11 ILE 58 -5.429 1.382 -9.191 311 HD12 ILE 58 HD12 ILE 58 -3.962 0.488 -8.776 312 HD13 ILE 58 HD13 ILE 58 -5.404 0.349 -7.758 313 H ALA 59 H ALA 59 -3.902 -3.289 -8.551 314 HA ALA 59 HA ALA 59 -3.197 -1.668 -6.395 315 HB1 ALA 59 HB1 ALA 59 -3.152 -4.676 -6.596 316 HB2 ALA 59 HB2 ALA 59 -4.516 -3.673 -6.103 317 HB3 ALA 59 HB3 ALA 59 -3.074 -3.756 -5.093 318 H THR 60 H THR 60 -1.237 -3.745 -8.444 319 HA THR 60 HA THR 60 1.144 -3.804 -6.970 320 HB THR 60 HB THR 60 0.785 -3.769 -9.974 321 HG1 THR 60 HG1 THR 60 0.524 -5.934 -9.805 322 HG21 THR 60 HG21 THR 60 3.084 -3.289 -9.243 323 HG22 THR 60 HG22 THR 60 2.961 -4.842 -10.073 324 HG23 THR 60 HG23 THR 60 3.094 -4.787 -8.314 325 H ASP 61 H ASP 61 -0.037 -1.462 -9.346 326 HA ASP 61 HA ASP 61 2.053 0.347 -9.466 327 HB2 ASP 61 HB2 ASP 61 -0.095 0.487 -10.747 328 HB3 ASP 61 HB3 ASP 61 -0.903 0.995 -9.275 329 H LEU 62 H LEU 62 -0.558 0.107 -7.127 330 HA LEU 62 HA LEU 62 0.193 2.329 -5.547 331 HB2 LEU 62 HB2 LEU 62 -1.462 -0.068 -4.768 332 HB3 LEU 62 HB3 LEU 62 -1.460 1.493 -3.974 333 HG LEU 62 HG LEU 62 -2.444 0.924 -6.771 334 HD11 LEU 62 HD11 LEU 62 -3.854 0.114 -4.887 335 HD12 LEU 62 HD12 LEU 62 -4.626 1.326 -5.909 336 HD13 LEU 62 HD13 LEU 62 -3.980 1.783 -4.331 337 HD21 LEU 62 HD21 LEU 62 -3.164 3.246 -6.793 338 HD22 LEU 62 HD22 LEU 62 -1.415 3.137 -6.585 339 HD23 LEU 62 HD23 LEU 62 -2.448 3.500 -5.202 340 H ARG 63 H ARG 63 0.956 -1.108 -5.423 341 HA ARG 63 HA ARG 63 2.161 -1.273 -2.908 342 HB2 ARG 63 HB2 ARG 63 3.183 -2.645 -5.404 343 HB3 ARG 63 HB3 ARG 63 3.400 -3.173 -3.752 344 HG2 ARG 63 HG2 ARG 63 0.676 -2.961 -4.944 345 HG3 ARG 63 HG3 ARG 63 1.696 -4.369 -5.233 346 HD2 ARG 63 HD2 ARG 63 1.927 -4.511 -2.708 347 HD3 ARG 63 HD3 ARG 63 0.589 -3.364 -2.628 348 HE ARG 63 HE ARG 63 -0.712 -5.027 -3.921 349 HH11 ARG 63 HH11 ARG 63 2.026 -6.090 -2.010 350 HH12 ARG 63 HH12 ARG 63 1.476 -7.737 -1.919 351 HH21 ARG 63 HH22 ARG 63 -1.402 -7.205 -3.826 352 HH22 ARG 63 HH21 ARG 63 -0.460 -8.358 -2.935 353 H GLN 64 H GLN 64 3.409 -0.190 -6.012 354 HA GLN 64 HA GLN 64 6.100 0.123 -5.220 355 HB2 GLN 64 HB2 GLN 64 4.608 1.524 -7.436 356 HB3 GLN 64 HB3 GLN 64 6.354 1.410 -7.284 357 HG2 GLN 64 HG2 GLN 64 6.243 -0.998 -7.569 358 HG3 GLN 64 HG3 GLN 64 4.485 -0.921 -7.660 359 HE21 GLN 64 HE22 GLN 64 7.474 -0.278 -9.303 360 HE22 GLN 64 HE21 GLN 64 6.792 -0.014 -10.867 361 H LYS 65 H LYS 65 3.348 2.351 -5.310 362 HA LYS 65 HA LYS 65 4.768 4.666 -4.590 363 HB2 LYS 65 HB2 LYS 65 2.505 4.781 -5.455 364 HB3 LYS 65 HB3 LYS 65 1.883 3.975 -4.021 365 HG2 LYS 65 HG2 LYS 65 1.432 6.208 -3.579 366 HG3 LYS 65 HG3 LYS 65 2.966 5.953 -2.759 367 HD2 LYS 65 HD2 LYS 65 3.071 6.861 -5.582 368 HD3 LYS 65 HD3 LYS 65 2.578 8.034 -4.358 369 HE2 LYS 65 HE2 LYS 65 4.584 7.729 -3.145 370 HE3 LYS 65 HE3 LYS 65 5.034 6.337 -4.117 371 HZ1 LYS 65 HZ1 LYS 65 6.142 8.594 -4.562 372 HZ2 LYS 65 HZ2 LYS 65 4.709 8.975 -5.380 373 HZ3 LYS 65 HZ3 LYS 65 5.647 7.653 -5.885 374 H VAL 66 H VAL 66 3.085 2.245 -2.655 375 HA VAL 66 HA VAL 66 3.531 3.245 -0.106 376 HB VAL 66 HB VAL 66 3.417 0.395 -1.086 377 HG11 VAL 66 HG11 VAL 66 4.690 0.745 1.094 378 HG12 VAL 66 HG12 VAL 66 3.332 -0.381 1.129 379 HG13 VAL 66 HG13 VAL 66 3.146 1.248 1.779 380 HG21 VAL 66 HG21 VAL 66 1.173 0.451 -0.120 381 HG22 VAL 66 HG22 VAL 66 1.368 1.694 -1.356 382 HG23 VAL 66 HG23 VAL 66 1.419 2.133 0.350 383 H TYR 67 H TYR 67 5.727 1.389 -2.198 384 HA TYR 67 HA TYR 67 7.729 1.192 -0.154 385 HB2 TYR 67 HB2 TYR 67 7.493 -0.445 -2.041 386 HB3 TYR 67 HB3 TYR 67 8.111 0.797 -3.127 387 HD1 TYR 67 HD1 TYR 67 9.012 -1.057 -0.011 388 HD2 TYR 67 HD2 TYR 67 10.389 0.984 -3.478 389 HE1 TYR 67 HE1 TYR 67 11.319 -1.744 0.508 390 HE2 TYR 67 HE2 TYR 67 12.696 0.306 -2.972 391 HH TYR 67 HH TYR 67 14.049 -0.434 -1.210 392 H GLU 68 H GLU 68 7.246 3.295 -2.986 393 HA GLU 68 HA GLU 68 9.646 4.724 -2.822 394 HB2 GLU 68 HB2 GLU 68 6.938 5.794 -3.637 395 HB3 GLU 68 HB3 GLU 68 8.492 6.525 -4.011 396 HG2 GLU 68 HG2 GLU 68 9.037 4.362 -5.220 397 HG3 GLU 68 HG3 GLU 68 7.320 3.987 -5.076 398 H LEU 69 H LEU 69 6.502 5.388 -1.342 399 HA LEU 69 HA LEU 69 7.141 7.826 -0.141 400 HB2 LEU 69 HB2 LEU 69 5.137 5.708 0.596 401 HB3 LEU 69 HB3 LEU 69 5.221 7.259 1.402 402 HG LEU 69 HG LEU 69 4.618 6.806 -1.525 403 HD11 LEU 69 HD11 LEU 69 2.868 6.291 0.284 404 HD12 LEU 69 HD12 LEU 69 2.407 7.333 -1.054 405 HD13 LEU 69 HD13 LEU 69 2.804 8.035 0.513 406 HD21 LEU 69 HD21 LEU 69 4.588 9.065 -1.875 407 HD22 LEU 69 HD22 LEU 69 5.896 8.964 -0.700 408 HD23 LEU 69 HD23 LEU 69 4.281 9.437 -0.179 409 H MET 70 H MET 70 7.804 4.557 0.900 410 HA MET 70 HA MET 70 8.408 5.007 3.591 411 HB2 MET 70 HB2 MET 70 9.757 3.087 1.682 412 HB3 MET 70 HB3 MET 70 9.900 3.039 3.431 413 HG2 MET 70 HG2 MET 70 7.465 2.659 3.575 414 HG3 MET 70 HG3 MET 70 7.409 2.581 1.813 415 HE1 MET 70 HE1 MET 70 6.918 -1.146 2.515 416 HE2 MET 70 HE2 MET 70 6.315 0.329 1.758 417 HE3 MET 70 HE3 MET 70 6.257 0.150 3.513 418 H GLN 71 H GLN 71 10.518 5.215 0.728 419 HA GLN 71 HA GLN 71 12.715 6.140 2.377 420 HB2 GLN 71 HB2 GLN 71 13.942 6.227 0.175 421 HB3 GLN 71 HB3 GLN 71 13.360 4.639 0.658 422 HG2 GLN 71 HG2 GLN 71 11.600 4.702 -0.900 423 HG3 GLN 71 HG3 GLN 71 11.836 6.418 -1.211 424 HE21 GLN 71 HE22 GLN 71 11.800 4.188 -3.067 425 HE22 GLN 71 HE21 GLN 71 13.318 4.227 -3.894 426 H GLU 72 H GLU 72 10.197 7.495 0.458 427 HA GLU 72 HA GLU 72 11.358 10.011 -0.089 428 HB2 GLU 72 HB2 GLU 72 8.463 9.281 0.379 429 HB3 GLU 72 HB3 GLU 72 9.007 10.842 -0.216 430 HG2 GLU 72 HG2 GLU 72 10.040 9.644 -2.155 431 HG3 GLU 72 HG3 GLU 72 9.252 8.180 -1.573 432 H GLY 73 H GLY 73 9.861 8.645 2.756 433 HA2 GLY 73 HA2 GLY 73 10.672 9.433 4.900 434 HA3 GLY 73 HA3 GLY 73 10.703 11.060 4.231 435 H LYS 74 H LYS 74 8.106 8.832 3.652 436 HA LYS 74 HA LYS 74 6.229 10.694 4.861 437 HB2 LYS 74 HB2 LYS 74 5.525 8.081 3.573 438 HB3 LYS 74 HB3 LYS 74 4.552 9.511 3.697 439 HG2 LYS 74 HG2 LYS 74 7.053 9.381 2.043 440 HG3 LYS 74 HG3 LYS 74 5.433 9.057 1.422 441 HD2 LYS 74 HD2 LYS 74 4.725 11.242 1.792 442 HD3 LYS 74 HD3 LYS 74 6.084 11.610 2.859 443 HE2 LYS 74 HE2 LYS 74 7.576 11.301 0.897 444 HE3 LYS 74 HE3 LYS 74 6.141 11.156 -0.117 445 HZ1 LYS 74 HZ1 LYS 74 7.243 13.517 1.229 446 HZ2 LYS 74 HZ2 LYS 74 5.559 13.427 1.021 447 HZ3 LYS 74 HZ3 LYS 74 6.586 13.366 -0.327 448 H SER 75 H SER 75 4.716 10.058 6.411 449 HA SER 75 HA SER 75 5.674 8.056 8.307 450 HB2 SER 75 HB2 SER 75 3.500 10.154 8.532 451 HB3 SER 75 HB3 SER 75 3.983 9.062 9.832 452 HG SER 75 HG SER 75 5.523 11.103 8.591 453 H LYS 76 H LYS 76 3.807 6.737 9.398 454 HA LYS 76 HA LYS 76 2.812 5.003 7.475 455 HB2 LYS 76 HB2 LYS 76 2.260 5.420 10.352 456 HB3 LYS 76 HB3 LYS 76 1.091 4.472 9.446 457 HG2 LYS 76 HG2 LYS 76 2.659 2.977 10.424 458 HG3 LYS 76 HG3 LYS 76 2.947 3.005 8.689 459 HD2 LYS 76 HD2 LYS 76 4.511 4.819 10.467 460 HD3 LYS 76 HD3 LYS 76 4.946 3.116 10.380 461 HE2 LYS 76 HE2 LYS 76 5.265 3.303 7.981 462 HE3 LYS 76 HE3 LYS 76 4.728 4.984 8.019 463 HZ1 LYS 76 HZ1 LYS 76 7.133 3.931 9.411 464 HZ2 LYS 76 HZ2 LYS 76 6.617 5.543 9.391 465 HZ3 LYS 76 HZ3 LYS 76 7.152 4.806 7.958 466 H LYS 77 H LYS 77 0.917 7.394 9.307 467 HA LYS 77 HA LYS 77 -1.431 7.109 7.747 468 HB2 LYS 77 HB2 LYS 77 -0.615 9.599 9.256 469 HB3 LYS 77 HB3 LYS 77 -2.243 9.031 8.908 470 HG2 LYS 77 HG2 LYS 77 -0.261 7.754 10.775 471 HG3 LYS 77 HG3 LYS 77 -1.713 8.653 11.232 472 HD2 LYS 77 HD2 LYS 77 -3.108 6.979 10.148 473 HD3 LYS 77 HD3 LYS 77 -1.667 6.102 9.627 474 HE2 LYS 77 HE2 LYS 77 -1.069 5.675 11.947 475 HE3 LYS 77 HE3 LYS 77 -2.471 6.596 12.491 476 HZ1 LYS 77 HZ1 LYS 77 -3.932 4.971 11.733 477 HZ2 LYS 77 HZ2 LYS 77 -2.663 4.068 12.404 478 HZ3 LYS 77 HZ3 LYS 77 -2.782 4.249 10.717 479 H GLU 78 H GLU 78 1.379 9.180 7.551 480 HA GLU 78 HA GLU 78 0.456 10.889 5.532 481 HB2 GLU 78 HB2 GLU 78 2.290 11.775 6.552 482 HB3 GLU 78 HB3 GLU 78 3.085 10.223 6.738 483 HG2 GLU 78 HG2 GLU 78 4.265 10.472 4.929 484 HG3 GLU 78 HG3 GLU 78 2.926 11.068 3.965 485 H ILE 79 H ILE 79 2.001 7.693 5.305 486 HA ILE 79 HA ILE 79 2.293 7.721 2.481 487 HB ILE 79 HB ILE 79 2.259 5.528 4.515 488 HG12 ILE 79 HG12 ILE 79 4.274 5.084 2.679 489 HG13 ILE 79 HG13 ILE 79 4.170 6.837 2.728 490 HG21 ILE 79 HG21 ILE 79 0.828 4.946 2.426 491 HG22 ILE 79 HG22 ILE 79 2.026 3.789 3.009 492 HG23 ILE 79 HG23 ILE 79 2.388 4.810 1.616 493 HD11 ILE 79 HD11 ILE 79 4.508 5.083 5.151 494 HD12 ILE 79 HD12 ILE 79 4.625 6.843 5.086 495 HD13 ILE 79 HD13 ILE 79 5.834 5.849 4.279 496 H VAL 80 H VAL 80 -0.268 6.372 4.576 497 HA VAL 80 HA VAL 80 -1.810 5.473 2.382 498 HB VAL 80 HB VAL 80 -2.170 4.384 4.470 499 HG11 VAL 80 HG11 VAL 80 -3.038 7.041 5.579 500 HG12 VAL 80 HG12 VAL 80 -1.557 6.179 5.989 501 HG13 VAL 80 HG13 VAL 80 -3.124 5.497 6.426 502 HG21 VAL 80 HG21 VAL 80 -4.108 4.585 2.998 503 HG22 VAL 80 HG22 VAL 80 -4.565 6.066 3.838 504 HG23 VAL 80 HG23 VAL 80 -4.583 4.526 4.698 505 H ASP 81 H ASP 81 -1.844 8.439 4.280 506 HA ASP 81 HA ASP 81 -4.100 9.629 3.092 507 HB2 ASP 81 HB2 ASP 81 -3.021 10.548 5.107 508 HB3 ASP 81 HB3 ASP 81 -1.590 10.930 4.161 509 H TYR 82 H TYR 82 -0.727 9.452 2.162 510 HA TYR 82 HA TYR 82 -0.790 11.275 0.006 511 HB2 TYR 82 HB2 TYR 82 1.210 10.002 1.232 512 HB3 TYR 82 HB3 TYR 82 0.986 8.881 -0.099 513 HD1 TYR 82 HD2 TYR 82 1.247 9.712 -2.459 514 HD2 TYR 82 HD1 TYR 82 2.316 12.060 0.925 515 HE1 TYR 82 HE2 TYR 82 2.625 11.149 -3.901 516 HE2 TYR 82 HE1 TYR 82 3.698 13.504 -0.505 517 HH TYR 82 HH TYR 82 4.861 13.408 -2.654 518 H MET 83 H MET 83 -1.273 7.811 0.287 519 HA MET 83 HA MET 83 -1.574 7.132 -2.394 520 HB2 MET 83 HB2 MET 83 -2.999 5.938 -0.007 521 HB3 MET 83 HB3 MET 83 -2.844 5.184 -1.586 522 HG2 MET 83 HG2 MET 83 -0.566 5.865 0.254 523 HG3 MET 83 HG3 MET 83 -1.281 4.270 0.052 524 HE1 MET 83 HE1 MET 83 -0.364 3.415 -3.641 525 HE2 MET 83 HE2 MET 83 -1.840 4.206 -3.087 526 HE3 MET 83 HE3 MET 83 -1.158 2.862 -2.169 527 H VAL 84 H VAL 84 -4.127 7.898 -0.022 528 HA VAL 84 HA VAL 84 -6.196 7.812 -1.967 529 HB VAL 84 HB VAL 84 -7.703 8.581 -0.329 530 HG11 VAL 84 HG11 VAL 84 -5.555 7.124 1.180 531 HG12 VAL 84 HG12 VAL 84 -6.710 6.370 0.086 532 HG13 VAL 84 HG13 VAL 84 -7.274 7.164 1.557 533 HG21 VAL 84 HG21 VAL 84 -6.876 10.567 0.531 534 HG22 VAL 84 HG22 VAL 84 -5.323 9.854 0.965 535 HG23 VAL 84 HG23 VAL 84 -6.761 9.474 1.910 536 H ALA 85 H ALA 85 -4.073 10.341 -0.889 537 HA ALA 85 HA ALA 85 -5.596 12.539 -1.751 538 HB1 ALA 85 HB1 ALA 85 -3.354 13.725 -1.711 539 HB2 ALA 85 HB2 ALA 85 -2.659 12.175 -1.232 540 HB3 ALA 85 HB3 ALA 85 -3.866 12.957 -0.208 541 H ARG 86 H ARG 86 -3.044 10.654 -3.349 542 HA ARG 86 HA ARG 86 -3.411 12.220 -5.796 543 HB2 ARG 86 HB2 ARG 86 -1.253 10.558 -4.682 544 HB3 ARG 86 HB3 ARG 86 -1.486 10.394 -6.414 545 HG2 ARG 86 HG2 ARG 86 0.192 12.052 -5.991 546 HG3 ARG 86 HG3 ARG 86 -1.241 12.834 -6.653 547 HD2 ARG 86 HD2 ARG 86 -0.785 12.681 -3.694 548 HD3 ARG 86 HD3 ARG 86 -0.021 13.936 -4.666 549 HE ARG 86 HE ARG 86 -2.765 13.909 -5.241 550 HH11 ARG 86 HH11 ARG 86 -0.547 14.772 -2.679 551 HH12 ARG 86 HH12 ARG 86 -1.651 15.886 -1.921 552 HH21 ARG 86 HH22 ARG 86 -4.203 15.423 -4.294 553 HH22 ARG 86 HH21 ARG 86 -3.739 16.242 -2.828 554 H TYR 87 H TYR 87 -3.744 8.930 -4.590 555 HA TYR 87 HA TYR 87 -4.727 8.038 -7.217 556 HB2 TYR 87 HB2 TYR 87 -3.755 6.413 -4.863 557 HB3 TYR 87 HB3 TYR 87 -4.246 5.765 -6.423 558 HD1 TYR 87 HD2 TYR 87 -2.927 6.894 -8.480 559 HD2 TYR 87 HD1 TYR 87 -1.484 6.645 -4.481 560 HE1 TYR 87 HE2 TYR 87 -0.619 7.109 -9.303 561 HE2 TYR 87 HE1 TYR 87 0.840 6.864 -5.293 562 HH TYR 87 HH TYR 87 2.019 6.299 -7.597 563 H GLY 88 H GLY 88 -6.414 9.593 -5.564 564 HA2 GLY 88 HA2 GLY 88 -8.033 7.822 -3.969 565 HA3 GLY 88 HA3 GLY 88 -8.304 9.537 -4.222 566 H ASN 89 H ASN 89 -7.986 7.211 -6.845 567 HA ASN 89 HA ASN 89 -10.813 7.625 -7.485 568 HB2 ASN 89 HB2 ASN 89 -8.544 6.535 -9.150 569 HB3 ASN 89 HB3 ASN 89 -10.219 6.527 -9.680 570 HD21 ASN 89 HD22 ASN 89 -9.845 7.832 -11.424 571 HD22 ASN 89 HD21 ASN 89 -9.475 9.515 -11.274 572 H PHE 90 H PHE 90 -8.403 5.197 -6.972 573 HA PHE 90 HA PHE 90 -10.484 3.129 -6.775 574 HB2 PHE 90 HB2 PHE 90 -8.709 2.692 -8.430 575 HB3 PHE 90 HB3 PHE 90 -7.491 2.837 -7.170 576 HD1 PHE 90 HD2 PHE 90 -10.315 0.786 -8.377 577 HD2 PHE 90 HD1 PHE 90 -6.966 1.016 -5.765 578 HE1 PHE 90 HE2 PHE 90 -10.506 -1.626 -7.926 579 HE2 PHE 90 HE1 PHE 90 -7.148 -1.394 -5.311 580 HZ PHE 90 HZ PHE 90 -8.921 -2.720 -6.393 581 H VAL 91 H VAL 91 -8.069 4.877 -5.007 582 HA VAL 91 HA VAL 91 -8.190 2.925 -2.823 583 HB VAL 91 HB VAL 91 -6.067 3.429 -2.250 584 HG11 VAL 91 HG11 VAL 91 -5.781 4.879 -4.859 585 HG12 VAL 91 HG12 VAL 91 -6.142 3.143 -4.804 586 HG13 VAL 91 HG13 VAL 91 -4.661 3.756 -4.067 587 HG21 VAL 91 HG21 VAL 91 -6.500 5.598 -1.375 588 HG22 VAL 91 HG22 VAL 91 -6.620 6.286 -2.993 589 HG23 VAL 91 HG23 VAL 91 -5.066 5.701 -2.398 590 H THR 92 H THR 92 -8.494 3.645 -0.664 591 HA THR 92 HA THR 92 -9.326 6.362 -0.133 592 HB THR 92 HB THR 92 -11.285 4.057 -0.028 593 HG1 THR 92 HG1 THR 92 -10.802 5.901 -1.848 594 HG21 THR 92 HG21 THR 92 -11.436 5.360 2.033 595 HG22 THR 92 HG22 THR 92 -12.874 5.577 1.027 596 HG23 THR 92 HG23 THR 92 -11.642 6.840 1.090 597 H TYR 93 H TYR 93 -9.164 6.865 2.086 598 HA TYR 93 HA TYR 93 -7.882 4.770 3.665 599 HB2 TYR 93 HB2 TYR 93 -6.823 6.999 3.512 600 HB3 TYR 93 HB3 TYR 93 -8.241 7.723 4.249 601 HD1 TYR 93 HD1 TYR 93 -6.957 4.492 5.415 602 HD2 TYR 93 HD2 TYR 93 -6.934 8.698 6.053 603 HE1 TYR 93 HE1 TYR 93 -5.921 4.147 7.613 604 HE2 TYR 93 HE2 TYR 93 -5.900 8.361 8.260 605 HH TYR 93 HH TYR 93 -4.570 5.346 9.210 606 H ASP 94 H ASP 94 -9.264 3.469 4.596 607 HA ASP 94 HA ASP 94 -11.231 4.390 6.483 608 HB2 ASP 94 HB2 ASP 94 -12.000 3.555 3.763 609 HB3 ASP 94 HB3 ASP 94 -12.833 2.682 5.042 610 HA PRO 95 HA PRO 95 -10.487 0.227 8.125 611 HB2 PRO 95 HB3 PRO 95 -13.091 -0.424 8.819 612 HB3 PRO 95 HB2 PRO 95 -11.966 0.464 9.851 613 HG2 PRO 95 HG2 PRO 95 -14.151 1.495 8.096 614 HG3 PRO 95 HG3 PRO 95 -13.648 2.047 9.705 615 HD2 PRO 95 HD2 PRO 95 -12.974 3.394 7.485 616 HD3 PRO 95 HD3 PRO 95 -11.861 3.264 8.863 617 HA PRO 96 HA PRO 96 -11.006 -1.441 4.164 618 HB2 PRO 96 HB3 PRO 96 -10.272 -4.097 5.140 619 HB3 PRO 96 HB2 PRO 96 -9.413 -3.013 4.057 620 HG2 PRO 96 HG2 PRO 96 -8.640 -3.530 6.616 621 HG3 PRO 96 HG3 PRO 96 -8.226 -2.059 5.726 622 HD2 PRO 96 HD2 PRO 96 -10.199 -2.468 7.894 623 HD3 PRO 96 HD3 PRO 96 -9.290 -1.017 7.429 624 H LEU 97 H LEU 97 -11.785 -4.387 5.963 625 HA LEU 97 HA LEU 97 -14.552 -4.210 4.965 626 HB2 LEU 97 HB2 LEU 97 -12.669 -6.553 4.893 627 HB3 LEU 97 HB3 LEU 97 -14.404 -6.774 4.834 628 HG LEU 97 HG LEU 97 -13.670 -6.901 2.606 629 HD11 LEU 97 HD11 LEU 97 -14.728 -5.013 1.513 630 HD12 LEU 97 HD12 LEU 97 -14.665 -4.088 3.013 631 HD13 LEU 97 HD13 LEU 97 -15.671 -5.534 2.908 632 HD21 LEU 97 HD21 LEU 97 -11.445 -6.009 2.829 633 HD22 LEU 97 HD22 LEU 97 -12.086 -4.386 3.102 634 HD23 LEU 97 HD23 LEU 97 -12.287 -5.164 1.530 635 H THR 98 H THR 98 -12.772 -4.026 7.554 636 HA THR 98 HA THR 98 -13.931 -5.967 9.295 637 HB THR 98 HB THR 98 -11.708 -5.082 9.764 638 HG1 THR 98 HG1 THR 98 -13.720 -5.205 11.530 639 HG21 THR 98 HG21 THR 98 -11.972 -2.817 8.908 640 HG22 THR 98 HG22 THR 98 -11.392 -2.786 10.574 641 HG23 THR 98 HG23 THR 98 -13.083 -2.434 10.221 642 HA PRO 99 HA PRO 99 -17.746 -3.802 10.148 643 HB2 PRO 99 HB3 PRO 99 -18.361 -5.209 12.426 644 HB3 PRO 99 HB2 PRO 99 -18.692 -5.784 10.789 645 HG2 PRO 99 HG2 PRO 99 -16.437 -6.475 12.624 646 HG3 PRO 99 HG3 PRO 99 -17.358 -7.526 11.532 647 HD2 PRO 99 HD2 PRO 99 -14.895 -6.624 10.916 648 HD3 PRO 99 HD3 PRO 99 -16.143 -6.884 9.681 Start of MODEL 5 1 H THR 19 H1 THR 19 6.369 -12.652 -11.104 2 HA THR 19 HA THR 19 9.229 -12.912 -10.392 3 HB THR 19 HB THR 19 7.876 -10.913 -12.223 4 HG1 THR 19 HG1 THR 19 8.326 -12.259 -13.808 5 HG21 THR 19 HG21 THR 19 10.787 -11.387 -11.565 6 HG22 THR 19 HG22 THR 19 9.820 -9.993 -11.081 7 HG23 THR 19 HG23 THR 19 10.186 -10.264 -12.785 8 H ILE 20 H ILE 20 9.777 -11.801 -8.605 9 HA ILE 20 HA ILE 20 7.792 -10.179 -7.269 10 HB ILE 20 HB ILE 20 9.546 -11.743 -6.154 11 HG12 ILE 20 HG12 ILE 20 7.954 -9.939 -5.105 12 HG13 ILE 20 HG13 ILE 20 9.226 -10.658 -4.128 13 HG21 ILE 20 HG21 ILE 20 11.198 -9.254 -6.504 14 HG22 ILE 20 HG22 ILE 20 11.525 -10.839 -7.209 15 HG23 ILE 20 HG23 ILE 20 11.615 -10.616 -5.462 16 HD11 ILE 20 HD11 ILE 20 9.015 -8.234 -3.806 17 HD12 ILE 20 HD12 ILE 20 9.398 -7.986 -5.511 18 HD13 ILE 20 HD13 ILE 20 10.601 -8.692 -4.427 19 H ASP 21 H ASP 21 8.029 -7.979 -6.773 20 HA ASP 21 HA ASP 21 8.875 -6.433 -8.975 21 HB2 ASP 21 HB2 ASP 21 7.077 -6.088 -6.989 22 HB3 ASP 21 HB3 ASP 21 8.379 -5.050 -6.419 23 H VAL 22 H VAL 22 10.066 -4.279 -8.450 24 HA VAL 22 HA VAL 22 12.766 -4.997 -7.700 25 HB VAL 22 HB VAL 22 12.287 -3.515 -9.623 26 HG11 VAL 22 HG11 VAL 22 11.359 -1.582 -7.562 27 HG12 VAL 22 HG12 VAL 22 10.379 -2.334 -8.810 28 HG13 VAL 22 HG13 VAL 22 11.646 -1.187 -9.249 29 HG21 VAL 22 HG21 VAL 22 14.478 -3.411 -8.542 30 HG22 VAL 22 HG22 VAL 22 13.875 -2.151 -7.465 31 HG23 VAL 22 HG23 VAL 22 14.002 -1.843 -9.199 32 H LEU 23 H LEU 23 10.115 -4.247 -5.996 33 HA LEU 23 HA LEU 23 11.167 -2.340 -4.119 34 HB2 LEU 23 HB2 LEU 23 8.766 -4.082 -3.656 35 HB3 LEU 23 HB3 LEU 23 9.069 -2.462 -3.060 36 HG LEU 23 HG LEU 23 8.397 -3.227 -5.901 37 HD11 LEU 23 HD11 LEU 23 6.831 -1.719 -3.820 38 HD12 LEU 23 HD12 LEU 23 6.496 -3.346 -4.409 39 HD13 LEU 23 HD13 LEU 23 6.346 -1.967 -5.498 40 HD21 LEU 23 HD21 LEU 23 9.879 -1.380 -6.038 41 HD22 LEU 23 HD22 LEU 23 9.093 -0.557 -4.693 42 HD23 LEU 23 HD23 LEU 23 8.248 -0.739 -6.230 43 H GLN 24 H GLN 24 13.073 -3.394 -3.407 44 HA GLN 24 HA GLN 24 12.773 -5.966 -2.081 45 HB2 GLN 24 HB2 GLN 24 15.235 -4.306 -2.610 46 HB3 GLN 24 HB3 GLN 24 15.231 -5.924 -1.924 47 HG2 GLN 24 HG2 GLN 24 14.217 -5.202 -4.662 48 HG3 GLN 24 HG3 GLN 24 15.804 -5.887 -4.311 49 HE21 GLN 24 HE22 GLN 24 12.400 -6.503 -4.536 50 HE22 GLN 24 HE21 GLN 24 12.499 -8.223 -4.423 51 H PHE 25 H PHE 25 12.100 -5.928 -0.063 52 HA PHE 25 HA PHE 25 12.377 -3.718 1.711 53 HB2 PHE 25 HB2 PHE 25 11.794 -6.593 2.464 54 HB3 PHE 25 HB3 PHE 25 11.354 -5.141 3.371 55 HD1 PHE 25 HD1 PHE 25 9.801 -3.470 2.140 56 HD2 PHE 25 HD2 PHE 25 10.250 -7.556 1.048 57 HE1 PHE 25 HE1 PHE 25 7.617 -3.402 1.011 58 HE2 PHE 25 HE2 PHE 25 8.068 -7.496 -0.087 59 HZ PHE 25 HZ PHE 25 6.791 -5.406 -0.188 60 H LYS 26 H LYS 26 13.902 -3.183 3.005 61 HA LYS 26 HA LYS 26 16.486 -4.116 2.952 62 HB2 LYS 26 HB2 LYS 26 16.419 -2.039 3.856 63 HB3 LYS 26 HB3 LYS 26 14.838 -2.295 4.554 64 HG2 LYS 26 HG2 LYS 26 16.750 -3.848 5.989 65 HG3 LYS 26 HG3 LYS 26 17.306 -2.175 5.867 66 HD2 LYS 26 HD2 LYS 26 14.519 -2.946 6.719 67 HD3 LYS 26 HD3 LYS 26 15.845 -2.683 7.862 68 HE2 LYS 26 HE2 LYS 26 14.600 -0.700 5.967 69 HE3 LYS 26 HE3 LYS 26 14.569 -0.668 7.728 70 HZ1 LYS 26 HZ1 LYS 26 16.900 -0.186 5.952 71 HZ2 LYS 26 HZ2 LYS 26 17.050 -0.432 7.623 72 HZ3 LYS 26 HZ3 LYS 26 16.179 0.893 7.035 73 H ASP 27 H ASP 27 13.799 -5.208 4.768 74 HA ASP 27 HA ASP 27 14.988 -7.562 5.744 75 HB2 ASP 27 HB2 ASP 27 16.134 -6.018 7.285 76 HB3 ASP 27 HB3 ASP 27 14.595 -5.294 7.729 77 H GLU 28 H GLU 28 13.228 -8.608 7.358 78 HA GLU 28 HA GLU 28 10.720 -8.293 6.103 79 HB2 GLU 28 HB2 GLU 28 9.866 -9.915 7.519 80 HB3 GLU 28 HB3 GLU 28 11.575 -10.309 7.516 81 HG2 GLU 28 HG2 GLU 28 10.557 -8.513 9.646 82 HG3 GLU 28 HG3 GLU 28 10.154 -10.225 9.734 83 H ALA 29 H ALA 29 12.288 -6.629 8.657 84 HA ALA 29 HA ALA 29 10.168 -5.372 9.955 85 HB1 ALA 29 HB1 ALA 29 11.736 -3.777 10.708 86 HB2 ALA 29 HB2 ALA 29 12.758 -3.994 9.284 87 HB3 ALA 29 HB3 ALA 29 12.656 -5.269 10.504 88 H GLN 30 H GLN 30 11.898 -4.400 6.980 89 HA GLN 30 HA GLN 30 10.439 -2.011 6.600 90 HB2 GLN 30 HB2 GLN 30 12.585 -2.747 5.306 91 HB3 GLN 30 HB3 GLN 30 11.470 -3.640 4.285 92 HG2 GLN 30 HG2 GLN 30 10.252 -1.637 3.785 93 HG3 GLN 30 HG3 GLN 30 11.293 -0.700 4.850 94 HE21 GLN 30 HE22 GLN 30 10.707 -0.361 2.028 95 HE22 GLN 30 HE21 GLN 30 12.228 -0.441 1.207 96 H GLU 31 H GLU 31 9.904 -5.340 5.769 97 HA GLU 31 HA GLU 31 7.625 -4.860 4.114 98 HB2 GLU 31 HB2 GLU 31 8.922 -6.872 3.814 99 HB3 GLU 31 HB3 GLU 31 8.619 -7.366 5.470 100 HG2 GLU 31 HG2 GLU 31 6.125 -7.278 4.767 101 HG3 GLU 31 HG3 GLU 31 6.764 -7.336 3.128 102 H GLN 32 H GLN 32 8.130 -5.264 7.555 103 HA GLN 32 HA GLN 32 5.444 -5.753 8.294 104 HB2 GLN 32 HB2 GLN 32 7.610 -4.303 9.822 105 HB3 GLN 32 HB3 GLN 32 6.103 -4.889 10.514 106 HG2 GLN 32 HG2 GLN 32 6.837 -7.193 9.747 107 HG3 GLN 32 HG3 GLN 32 8.416 -6.477 9.460 108 HE21 GLN 32 HE22 GLN 32 8.079 -4.636 11.744 109 HE22 GLN 32 HE21 GLN 32 8.335 -5.603 13.154 110 H GLN 33 H GLN 33 7.300 -2.790 7.768 111 HA GLN 33 HA GLN 33 5.232 -0.950 8.270 112 HB2 GLN 33 HB2 GLN 33 7.438 -0.093 7.993 113 HB3 GLN 33 HB3 GLN 33 7.619 -0.865 6.426 114 HG2 GLN 33 HG2 GLN 33 5.953 0.636 5.483 115 HG3 GLN 33 HG3 GLN 33 5.737 1.395 7.060 116 HE21 GLN 33 HE22 GLN 33 8.860 0.367 5.916 117 HE22 GLN 33 HE21 GLN 33 9.506 1.948 5.659 118 H PHE 34 H PHE 34 6.264 -2.582 5.316 119 HA PHE 34 HA PHE 34 4.363 -1.559 3.548 120 HB2 PHE 34 HB2 PHE 34 6.351 -2.821 2.852 121 HB3 PHE 34 HB3 PHE 34 5.702 -4.277 3.591 122 HD1 PHE 34 HD1 PHE 34 5.238 -1.856 0.845 123 HD2 PHE 34 HD2 PHE 34 4.189 -5.660 2.438 124 HE1 PHE 34 HE1 PHE 34 4.183 -2.455 -1.293 125 HE2 PHE 34 HE2 PHE 34 3.127 -6.264 0.303 126 HZ PHE 34 HZ PHE 34 3.124 -4.662 -1.566 127 H ARG 35 H ARG 35 4.214 -4.198 5.838 128 HA ARG 35 HA ARG 35 1.894 -5.503 5.077 129 HB2 ARG 35 HB2 ARG 35 3.612 -5.363 7.359 130 HB3 ARG 35 HB3 ARG 35 1.957 -5.316 7.918 131 HG2 ARG 35 HG2 ARG 35 2.963 -7.576 7.858 132 HG3 ARG 35 HG3 ARG 35 1.477 -7.423 6.922 133 HD2 ARG 35 HD2 ARG 35 4.086 -7.003 5.575 134 HD3 ARG 35 HD3 ARG 35 3.579 -8.653 5.941 135 HE ARG 35 HE ARG 35 1.524 -7.137 4.652 136 HH11 ARG 35 HH11 ARG 35 4.437 -9.010 4.048 137 HH12 ARG 35 HH12 ARG 35 3.962 -9.435 2.434 138 HH21 ARG 35 HH22 ARG 35 0.917 -7.678 2.570 139 HH22 ARG 35 HH21 ARG 35 1.954 -8.650 1.569 140 H GLN 36 H GLN 36 2.213 -2.802 7.380 141 HA GLN 36 HA GLN 36 -0.616 -2.560 7.696 142 HB2 GLN 36 HB2 GLN 36 1.577 -0.646 8.505 143 HB3 GLN 36 HB3 GLN 36 -0.100 -0.574 9.040 144 HG2 GLN 36 HG2 GLN 36 0.189 -2.851 10.009 145 HG3 GLN 36 HG3 GLN 36 1.903 -2.738 9.622 146 HE21 GLN 36 HE22 GLN 36 1.969 0.136 10.246 147 HE22 GLN 36 HE21 GLN 36 1.957 0.226 11.971 148 H LEU 37 H LEU 37 1.807 -0.978 5.719 149 HA LEU 37 HA LEU 37 0.201 1.244 5.002 150 HB2 LEU 37 HB2 LEU 37 2.599 0.044 3.615 151 HB3 LEU 37 HB3 LEU 37 1.856 1.570 3.173 152 HG LEU 37 HG LEU 37 3.320 0.903 5.717 153 HD11 LEU 37 HD11 LEU 37 4.790 1.425 3.917 154 HD12 LEU 37 HD12 LEU 37 4.723 2.821 4.993 155 HD13 LEU 37 HD13 LEU 37 3.830 2.837 3.472 156 HD21 LEU 37 HD21 LEU 37 2.890 3.337 6.269 157 HD22 LEU 37 HD22 LEU 37 1.535 2.228 6.472 158 HD23 LEU 37 HD23 LEU 37 1.608 3.282 5.059 159 H THR 38 H THR 38 0.338 -2.027 3.852 160 HA THR 38 HA THR 38 -1.267 -1.314 1.516 161 HB THR 38 HB THR 38 -1.112 -3.813 1.025 162 HG1 THR 38 HG1 THR 38 1.057 -3.644 2.869 163 HG21 THR 38 HG21 THR 38 1.182 -1.887 0.907 164 HG22 THR 38 HG22 THR 38 0.132 -2.460 -0.385 165 HG23 THR 38 HG23 THR 38 1.356 -3.531 0.296 166 H GLU 39 H GLU 39 -1.730 -2.334 4.725 167 HA GLU 39 HA GLU 39 -4.238 -3.694 4.077 168 HB2 GLU 39 HB2 GLU 39 -2.569 -3.553 6.560 169 HB3 GLU 39 HB3 GLU 39 -4.248 -4.072 6.640 170 HG2 GLU 39 HG2 GLU 39 -3.768 -5.854 5.034 171 HG3 GLU 39 HG3 GLU 39 -2.083 -5.341 4.977 172 H GLU 40 H GLU 40 -3.059 -0.806 5.742 173 HA GLU 40 HA GLU 40 -5.687 -0.078 6.643 174 HB2 GLU 40 HB2 GLU 40 -3.075 1.407 6.575 175 HB3 GLU 40 HB3 GLU 40 -4.572 2.165 7.103 176 HG2 GLU 40 HG2 GLU 40 -4.666 -0.002 8.634 177 HG3 GLU 40 HG3 GLU 40 -2.920 0.103 8.419 178 H LEU 41 H LEU 41 -4.207 -0.035 3.684 179 HA LEU 41 HA LEU 41 -5.767 2.235 2.723 180 HB2 LEU 41 HB2 LEU 41 -3.513 2.236 1.939 181 HB3 LEU 41 HB3 LEU 41 -3.616 0.561 1.435 182 HG LEU 41 HG LEU 41 -5.045 1.110 -0.394 183 HD11 LEU 41 HD11 LEU 41 -6.480 2.726 0.615 184 HD12 LEU 41 HD12 LEU 41 -5.725 3.471 -0.802 185 HD13 LEU 41 HD13 LEU 41 -5.141 3.864 0.816 186 HD21 LEU 41 HD21 LEU 41 -2.784 1.433 -0.960 187 HD22 LEU 41 HD22 LEU 41 -2.700 2.949 -0.064 188 HD23 LEU 41 HD23 LEU 41 -3.624 2.863 -1.563 189 H ARG 42 H ARG 42 -7.762 1.852 2.100 190 HA ARG 42 HA ARG 42 -8.578 -0.827 1.391 191 HB2 ARG 42 HB2 ARG 42 -9.979 1.688 2.089 192 HB3 ARG 42 HB3 ARG 42 -10.818 0.599 0.999 193 HG2 ARG 42 HG2 ARG 42 -10.371 -1.198 2.774 194 HG3 ARG 42 HG3 ARG 42 -10.017 0.162 3.846 195 HD2 ARG 42 HD2 ARG 42 -12.222 1.124 3.312 196 HD3 ARG 42 HD3 ARG 42 -12.573 -0.275 2.303 197 HE ARG 42 HE ARG 42 -11.903 -0.839 5.073 198 HH11 ARG 42 HH11 ARG 42 -14.445 -0.341 2.710 199 HH12 ARG 42 HH12 ARG 42 -15.681 -1.043 3.703 200 HH21 ARG 42 HH22 ARG 42 -13.524 -1.771 6.376 201 HH22 ARG 42 HH21 ARG 42 -15.165 -1.849 5.796 202 H CYS 43 H CYS 43 -8.988 -1.553 -0.586 203 HA CYS 43 HA CYS 43 -9.197 0.341 -2.806 204 HB2 CYS 43 HB2 CYS 43 -9.269 -1.719 -4.210 205 HB3 CYS 43 HB3 CYS 43 -7.810 -1.628 -3.228 206 HG CYS 43 HG CYS 43 -8.067 -4.026 -2.395 207 HA PRO 44 HA PRO 44 -13.599 0.262 -2.534 208 HB2 PRO 44 HB3 PRO 44 -13.783 0.400 -5.462 209 HB3 PRO 44 HB2 PRO 44 -14.242 1.603 -4.251 210 HG2 PRO 44 HG2 PRO 44 -12.109 1.964 -5.837 211 HG3 PRO 44 HG3 PRO 44 -12.109 2.503 -4.145 212 HD2 PRO 44 HD2 PRO 44 -10.906 0.022 -5.340 213 HD3 PRO 44 HD3 PRO 44 -10.196 1.163 -4.175 214 H LYS 45 H LYS 45 -12.351 -2.360 -2.711 215 HA LYS 45 HA LYS 45 -14.376 -3.847 -4.241 216 HB2 LYS 45 HB2 LYS 45 -12.102 -4.461 -4.826 217 HB3 LYS 45 HB3 LYS 45 -11.719 -4.757 -3.135 218 HG2 LYS 45 HG2 LYS 45 -12.071 -6.870 -4.080 219 HG3 LYS 45 HG3 LYS 45 -13.536 -6.523 -3.173 220 HD2 LYS 45 HD2 LYS 45 -14.577 -5.748 -5.303 221 HD3 LYS 45 HD3 LYS 45 -13.134 -6.305 -6.152 222 HE2 LYS 45 HE2 LYS 45 -15.037 -7.988 -4.530 223 HE3 LYS 45 HE3 LYS 45 -14.860 -7.993 -6.282 224 HZ1 LYS 45 HZ1 LYS 45 -12.765 -8.808 -4.339 225 HZ2 LYS 45 HZ2 LYS 45 -12.610 -8.839 -6.026 226 HZ3 LYS 45 HZ3 LYS 45 -13.719 -9.866 -5.253 227 H CYS 46 H CYS 46 -12.734 -3.702 -1.104 228 HA CYS 46 HA CYS 46 -13.332 -4.320 0.998 229 HB2 CYS 46 HB2 CYS 46 -16.107 -4.701 -0.138 230 HB3 CYS 46 HB3 CYS 46 -15.687 -4.634 1.571 231 HG CYS 46 HG CYS 46 -16.945 -2.230 0.715 232 H GLN 47 H GLN 47 -14.725 -6.398 -1.482 233 HA GLN 47 HA GLN 47 -14.315 -8.787 0.095 234 HB2 GLN 47 HB2 GLN 47 -15.075 -8.444 -2.811 235 HB3 GLN 47 HB3 GLN 47 -15.197 -9.935 -1.879 236 HG2 GLN 47 HG2 GLN 47 -16.684 -7.397 -1.248 237 HG3 GLN 47 HG3 GLN 47 -17.357 -8.747 -2.167 238 HE21 GLN 47 HE22 GLN 47 -16.423 -7.577 0.949 239 HE22 GLN 47 HE21 GLN 47 -17.099 -8.869 1.880 240 H ASN 48 H ASN 48 -12.008 -7.848 0.230 241 HA ASN 48 HA ASN 48 -10.165 -9.508 -1.018 242 HB2 ASN 48 HB2 ASN 48 -10.701 -8.224 -3.082 243 HB3 ASN 48 HB3 ASN 48 -10.271 -6.733 -2.254 244 HD21 ASN 48 HD22 ASN 48 -8.134 -6.222 -1.955 245 HD22 ASN 48 HD21 ASN 48 -6.842 -7.083 -2.716 246 H ASN 49 H ASN 49 -8.087 -9.158 -0.109 247 HA ASN 49 HA ASN 49 -8.176 -7.654 2.337 248 HB2 ASN 49 HB2 ASN 49 -6.099 -9.428 1.075 249 HB3 ASN 49 HB3 ASN 49 -5.757 -8.505 2.533 250 HD21 ASN 49 HD22 ASN 49 -6.784 -9.037 4.444 251 HD22 ASN 49 HD21 ASN 49 -7.607 -10.542 4.668 252 H SER 50 H SER 50 -8.507 -5.619 1.106 253 HA SER 50 HA SER 50 -7.831 -3.574 0.427 254 HB2 SER 50 HB2 SER 50 -5.362 -4.305 2.013 255 HB3 SER 50 HB3 SER 50 -5.873 -2.672 1.588 256 HG SER 50 HG SER 50 -6.707 -2.934 3.571 257 H ILE 51 H ILE 51 -4.470 -3.819 0.371 258 HA ILE 51 HA ILE 51 -4.456 -4.732 -2.437 259 HB ILE 51 HB ILE 51 -2.655 -3.126 -2.938 260 HG12 ILE 51 HG12 ILE 51 -3.314 -1.934 -0.237 261 HG13 ILE 51 HG13 ILE 51 -1.845 -2.820 -0.623 262 HG21 ILE 51 HG21 ILE 51 -4.948 -2.581 -3.525 263 HG22 ILE 51 HG22 ILE 51 -4.050 -1.129 -3.087 264 HG23 ILE 51 HG23 ILE 51 -5.191 -1.838 -1.944 265 HD11 ILE 51 HD11 ILE 51 -2.703 -0.229 -1.887 266 HD12 ILE 51 HD12 ILE 51 -1.217 -1.113 -2.227 267 HD13 ILE 51 HD13 ILE 51 -1.480 -0.415 -0.630 268 H ALA 52 H ALA 52 -3.663 -5.613 0.487 269 HA ALA 52 HA ALA 52 -0.847 -6.174 0.212 270 HB1 ALA 52 HB1 ALA 52 -2.823 -7.173 2.260 271 HB2 ALA 52 HB2 ALA 52 -1.842 -5.714 2.410 272 HB3 ALA 52 HB3 ALA 52 -1.066 -7.298 2.358 273 H ASP 53 H ASP 53 -3.518 -8.406 0.940 274 HA ASP 53 HA ASP 53 -2.259 -10.514 -0.576 275 HB2 ASP 53 HB2 ASP 53 -4.882 -10.343 0.914 276 HB3 ASP 53 HB3 ASP 53 -4.417 -11.760 -0.016 277 H SER 54 H SER 54 -2.268 -9.113 -2.520 278 HA SER 54 HA SER 54 -4.639 -9.697 -4.107 279 HB2 SER 54 HB2 SER 54 -3.417 -6.926 -4.058 280 HB3 SER 54 HB3 SER 54 -4.848 -7.449 -4.950 281 HG SER 54 HG SER 54 -5.229 -8.086 -2.418 282 H ASN 55 H ASN 55 -4.206 -10.132 -6.193 283 HA ASN 55 HA ASN 55 -1.361 -10.212 -6.948 284 HB2 ASN 55 HB2 ASN 55 -3.747 -11.743 -8.018 285 HB3 ASN 55 HB3 ASN 55 -2.102 -11.902 -8.624 286 HD21 ASN 55 HD22 ASN 55 -4.021 -13.769 -7.237 287 HD22 ASN 55 HD21 ASN 55 -3.109 -14.430 -5.920 288 H SER 56 H SER 56 -3.766 -8.183 -7.207 289 HA SER 56 HA SER 56 -4.089 -7.716 -9.974 290 HB2 SER 56 HB2 SER 56 -5.736 -6.937 -8.383 291 HB3 SER 56 HB3 SER 56 -4.543 -5.909 -7.590 292 HG SER 56 HG SER 56 -6.112 -5.342 -9.669 293 H MET 57 H MET 57 -2.911 -6.651 -11.369 294 HA MET 57 HA MET 57 -0.313 -5.736 -10.964 295 HB2 MET 57 HB2 MET 57 -1.968 -4.430 -13.073 296 HB3 MET 57 HB3 MET 57 -0.341 -5.081 -13.177 297 HG2 MET 57 HG2 MET 57 -1.144 -6.889 -14.135 298 HG3 MET 57 HG3 MET 57 -2.077 -7.238 -12.680 299 HE1 MET 57 HE1 MET 57 -5.464 -5.443 -13.410 300 HE2 MET 57 HE2 MET 57 -4.105 -5.170 -12.314 301 HE3 MET 57 HE3 MET 57 -4.786 -6.791 -12.497 302 H ILE 58 H ILE 58 -3.389 -4.132 -10.702 303 HA ILE 58 HA ILE 58 -2.267 -1.493 -10.589 304 HB ILE 58 HB ILE 58 -4.370 -0.718 -10.826 305 HG12 ILE 58 HG12 ILE 58 -6.390 -2.031 -9.767 306 HG13 ILE 58 HG13 ILE 58 -5.135 -2.733 -8.750 307 HG21 ILE 58 HG21 ILE 58 -4.682 -3.637 -11.487 308 HG22 ILE 58 HG22 ILE 58 -4.301 -2.297 -12.575 309 HG23 ILE 58 HG23 ILE 58 -5.912 -2.424 -11.868 310 HD11 ILE 58 HD11 ILE 58 -6.048 0.107 -8.945 311 HD12 ILE 58 HD12 ILE 58 -4.440 -0.297 -8.332 312 HD13 ILE 58 HD13 ILE 58 -5.882 -0.918 -7.518 313 H ALA 59 H ALA 59 -3.276 -3.952 -8.299 314 HA ALA 59 HA ALA 59 -3.090 -2.401 -5.954 315 HB1 ALA 59 HB1 ALA 59 -2.471 -5.333 -6.359 316 HB2 ALA 59 HB2 ALA 59 -4.028 -4.650 -5.892 317 HB3 ALA 59 HB3 ALA 59 -2.653 -4.541 -4.795 318 H THR 60 H THR 60 -0.724 -4.206 -7.840 319 HA THR 60 HA THR 60 1.562 -3.658 -6.316 320 HB THR 60 HB THR 60 1.289 -4.079 -9.295 321 HG1 THR 60 HG1 THR 60 1.860 -6.235 -8.732 322 HG21 THR 60 HG21 THR 60 3.408 -2.995 -8.633 323 HG22 THR 60 HG22 THR 60 3.642 -4.614 -9.297 324 HG23 THR 60 HG23 THR 60 3.739 -4.350 -7.554 325 H ASP 61 H ASP 61 0.013 -1.877 -8.938 326 HA ASP 61 HA ASP 61 1.790 0.159 -9.452 327 HB2 ASP 61 HB2 ASP 61 -0.594 -0.313 -10.409 328 HB3 ASP 61 HB3 ASP 61 -1.152 0.707 -9.094 329 H LEU 62 H LEU 62 -0.739 0.083 -7.001 330 HA LEU 62 HA LEU 62 -0.071 2.566 -5.783 331 HB2 LEU 62 HB2 LEU 62 -1.585 0.244 -4.580 332 HB3 LEU 62 HB3 LEU 62 -1.692 1.926 -4.106 333 HG LEU 62 HG LEU 62 -2.634 0.766 -6.725 334 HD11 LEU 62 HD11 LEU 62 -3.960 0.200 -4.691 335 HD12 LEU 62 HD12 LEU 62 -4.840 1.118 -5.913 336 HD13 LEU 62 HD13 LEU 62 -4.240 1.926 -4.463 337 HD21 LEU 62 HD21 LEU 62 -3.545 2.972 -7.169 338 HD22 LEU 62 HD22 LEU 62 -1.798 3.061 -6.953 339 HD23 LEU 62 HD23 LEU 62 -2.873 3.576 -5.654 340 H ARG 63 H ARG 63 0.796 -0.789 -5.141 341 HA ARG 63 HA ARG 63 1.946 -0.314 -2.596 342 HB2 ARG 63 HB2 ARG 63 2.260 -2.582 -4.552 343 HB3 ARG 63 HB3 ARG 63 3.050 -2.561 -2.980 344 HG2 ARG 63 HG2 ARG 63 0.843 -2.351 -1.908 345 HG3 ARG 63 HG3 ARG 63 0.086 -2.469 -3.497 346 HD2 ARG 63 HD2 ARG 63 1.867 -4.567 -2.269 347 HD3 ARG 63 HD3 ARG 63 0.107 -4.598 -2.240 348 HE ARG 63 HE ARG 63 1.230 -4.371 -4.886 349 HH11 ARG 63 HH11 ARG 63 0.139 -6.585 -2.408 350 HH12 ARG 63 HH12 ARG 63 0.034 -7.937 -3.488 351 HH21 ARG 63 HH22 ARG 63 1.062 -6.151 -6.323 352 HH22 ARG 63 HH21 ARG 63 0.572 -7.701 -5.703 353 H GLN 64 H GLN 64 3.218 -0.144 -5.858 354 HA GLN 64 HA GLN 64 5.928 0.149 -5.163 355 HB2 GLN 64 HB2 GLN 64 4.387 1.272 -7.496 356 HB3 GLN 64 HB3 GLN 64 6.139 1.290 -7.363 357 HG2 GLN 64 HG2 GLN 64 6.134 -1.163 -7.257 358 HG3 GLN 64 HG3 GLN 64 4.386 -1.154 -7.452 359 HE21 GLN 64 HE22 GLN 64 6.467 -2.346 -9.135 360 HE22 GLN 64 HE21 GLN 64 6.241 -1.658 -10.711 361 H LYS 65 H LYS 65 3.253 2.451 -5.310 362 HA LYS 65 HA LYS 65 4.771 4.752 -4.687 363 HB2 LYS 65 HB2 LYS 65 2.503 4.950 -5.529 364 HB3 LYS 65 HB3 LYS 65 1.876 4.133 -4.106 365 HG2 LYS 65 HG2 LYS 65 1.465 6.375 -3.643 366 HG3 LYS 65 HG3 LYS 65 2.967 6.039 -2.790 367 HD2 LYS 65 HD2 LYS 65 3.188 7.060 -5.564 368 HD3 LYS 65 HD3 LYS 65 2.689 8.194 -4.304 369 HE2 LYS 65 HE2 LYS 65 4.632 7.599 -2.986 370 HE3 LYS 65 HE3 LYS 65 5.115 6.440 -4.209 371 HZ1 LYS 65 HZ1 LYS 65 6.383 8.481 -4.384 372 HZ2 LYS 65 HZ2 LYS 65 4.964 9.386 -4.567 373 HZ3 LYS 65 HZ3 LYS 65 5.417 8.277 -5.767 374 H VAL 66 H VAL 66 3.039 2.397 -2.698 375 HA VAL 66 HA VAL 66 3.552 3.419 -0.168 376 HB VAL 66 HB VAL 66 3.333 0.533 -1.053 377 HG11 VAL 66 HG11 VAL 66 4.620 0.927 1.104 378 HG12 VAL 66 HG12 VAL 66 3.225 -0.150 1.182 379 HG13 VAL 66 HG13 VAL 66 3.097 1.509 1.772 380 HG21 VAL 66 HG21 VAL 66 1.094 0.694 -0.123 381 HG22 VAL 66 HG22 VAL 66 1.336 1.915 -1.369 382 HG23 VAL 66 HG23 VAL 66 1.386 2.372 0.332 383 H TYR 67 H TYR 67 5.651 1.449 -2.232 384 HA TYR 67 HA TYR 67 7.743 1.213 -0.323 385 HB2 TYR 67 HB2 TYR 67 7.606 -0.333 -2.197 386 HB3 TYR 67 HB3 TYR 67 7.825 0.990 -3.338 387 HD1 TYR 67 HD1 TYR 67 9.502 -1.108 -0.812 388 HD2 TYR 67 HD2 TYR 67 10.001 1.911 -3.768 389 HE1 TYR 67 HE1 TYR 67 11.940 -1.425 -0.721 390 HE2 TYR 67 HE2 TYR 67 12.438 1.601 -3.684 391 HH TYR 67 HH TYR 67 13.927 -1.011 -2.388 392 H GLU 68 H GLU 68 7.234 3.433 -3.069 393 HA GLU 68 HA GLU 68 9.656 4.815 -2.836 394 HB2 GLU 68 HB2 GLU 68 7.008 5.909 -3.799 395 HB3 GLU 68 HB3 GLU 68 8.590 6.609 -4.114 396 HG2 GLU 68 HG2 GLU 68 9.169 4.403 -5.227 397 HG3 GLU 68 HG3 GLU 68 7.446 4.046 -5.155 398 H LEU 69 H LEU 69 6.487 5.573 -1.441 399 HA LEU 69 HA LEU 69 7.133 7.962 -0.159 400 HB2 LEU 69 HB2 LEU 69 5.152 5.803 0.529 401 HB3 LEU 69 HB3 LEU 69 5.230 7.328 1.384 402 HG LEU 69 HG LEU 69 4.642 6.988 -1.561 403 HD11 LEU 69 HD11 LEU 69 2.895 6.315 0.178 404 HD12 LEU 69 HD12 LEU 69 2.410 7.447 -1.075 405 HD13 LEU 69 HD13 LEU 69 2.787 8.031 0.546 406 HD21 LEU 69 HD21 LEU 69 4.451 9.285 -1.757 407 HD22 LEU 69 HD22 LEU 69 5.859 9.122 -0.710 408 HD23 LEU 69 HD23 LEU 69 4.290 9.523 -0.018 409 H MET 70 H MET 70 7.819 4.656 0.799 410 HA MET 70 HA MET 70 8.527 5.055 3.477 411 HB2 MET 70 HB2 MET 70 9.742 3.163 1.456 412 HB3 MET 70 HB3 MET 70 10.048 3.098 3.183 413 HG2 MET 70 HG2 MET 70 7.710 2.616 3.601 414 HG3 MET 70 HG3 MET 70 7.360 2.732 1.877 415 HE1 MET 70 HE1 MET 70 6.932 -1.054 2.337 416 HE2 MET 70 HE2 MET 70 6.205 0.490 1.893 417 HE3 MET 70 HE3 MET 70 6.535 0.125 3.588 418 H GLN 71 H GLN 71 10.610 5.168 0.573 419 HA GLN 71 HA GLN 71 12.856 6.069 2.129 420 HB2 GLN 71 HB2 GLN 71 13.908 6.360 -0.187 421 HB3 GLN 71 HB3 GLN 71 13.482 4.731 0.313 422 HG2 GLN 71 HG2 GLN 71 11.557 4.722 -1.072 423 HG3 GLN 71 HG3 GLN 71 11.718 6.443 -1.409 424 HE21 GLN 71 HE22 GLN 71 13.261 7.139 -2.883 425 HE22 GLN 71 HE21 GLN 71 14.053 6.046 -3.968 426 H GLU 72 H GLU 72 10.249 7.572 0.459 427 HA GLU 72 HA GLU 72 11.440 10.123 0.092 428 HB2 GLU 72 HB2 GLU 72 8.531 9.404 0.510 429 HB3 GLU 72 HB3 GLU 72 9.117 10.973 -0.026 430 HG2 GLU 72 HG2 GLU 72 10.116 9.852 -2.009 431 HG3 GLU 72 HG3 GLU 72 9.353 8.357 -1.473 432 H GLY 73 H GLY 73 9.924 8.505 2.795 433 HA2 GLY 73 HA2 GLY 73 10.741 9.037 5.002 434 HA3 GLY 73 HA3 GLY 73 10.874 10.716 4.500 435 H LYS 74 H LYS 74 8.133 8.774 3.658 436 HA LYS 74 HA LYS 74 6.381 10.647 4.963 437 HB2 LYS 74 HB2 LYS 74 5.587 8.064 3.628 438 HB3 LYS 74 HB3 LYS 74 4.608 9.497 3.877 439 HG2 LYS 74 HG2 LYS 74 7.055 9.518 2.126 440 HG3 LYS 74 HG3 LYS 74 5.448 9.097 1.531 441 HD2 LYS 74 HD2 LYS 74 4.602 11.215 1.947 442 HD3 LYS 74 HD3 LYS 74 5.935 11.655 3.021 443 HE2 LYS 74 HE2 LYS 74 7.426 11.463 1.000 444 HE3 LYS 74 HE3 LYS 74 5.960 11.345 0.029 445 HZ1 LYS 74 HZ1 LYS 74 5.264 13.505 1.030 446 HZ2 LYS 74 HZ2 LYS 74 6.639 13.612 0.038 447 HZ3 LYS 74 HZ3 LYS 74 6.805 13.627 1.727 448 H SER 75 H SER 75 4.688 9.957 6.421 449 HA SER 75 HA SER 75 5.589 7.927 8.327 450 HB2 SER 75 HB2 SER 75 3.368 9.979 8.545 451 HB3 SER 75 HB3 SER 75 3.920 8.914 9.841 452 HG SER 75 HG SER 75 6.023 10.207 8.806 453 H LYS 76 H LYS 76 3.640 6.630 9.340 454 HA LYS 76 HA LYS 76 2.825 4.893 7.311 455 HB2 LYS 76 HB2 LYS 76 2.207 5.203 10.179 456 HB3 LYS 76 HB3 LYS 76 1.069 4.255 9.233 457 HG2 LYS 76 HG2 LYS 76 2.698 2.803 10.226 458 HG3 LYS 76 HG3 LYS 76 2.914 2.813 8.485 459 HD2 LYS 76 HD2 LYS 76 4.542 4.642 10.204 460 HD3 LYS 76 HD3 LYS 76 4.985 2.942 10.068 461 HE2 LYS 76 HE2 LYS 76 5.080 3.199 7.618 462 HE3 LYS 76 HE3 LYS 76 4.707 4.911 7.798 463 HZ1 LYS 76 HZ1 LYS 76 6.738 5.222 9.032 464 HZ2 LYS 76 HZ2 LYS 76 7.091 4.510 7.532 465 HZ3 LYS 76 HZ3 LYS 76 7.096 3.566 8.942 466 H LYS 77 H LYS 77 0.769 7.165 9.139 467 HA LYS 77 HA LYS 77 -1.486 6.814 7.441 468 HB2 LYS 77 HB2 LYS 77 -0.863 9.250 9.111 469 HB3 LYS 77 HB3 LYS 77 -2.445 8.679 8.590 470 HG2 LYS 77 HG2 LYS 77 -0.592 7.335 10.524 471 HG3 LYS 77 HG3 LYS 77 -2.106 8.162 10.920 472 HD2 LYS 77 HD2 LYS 77 -3.274 6.512 9.419 473 HD3 LYS 77 HD3 LYS 77 -1.741 5.640 9.314 474 HE2 LYS 77 HE2 LYS 77 -1.761 5.168 11.644 475 HE3 LYS 77 HE3 LYS 77 -3.113 6.266 11.919 476 HZ1 LYS 77 HZ1 LYS 77 -4.471 4.776 10.493 477 HZ2 LYS 77 HZ2 LYS 77 -3.932 4.045 11.924 478 HZ3 LYS 77 HZ3 LYS 77 -3.177 3.678 10.455 479 H GLU 78 H GLU 78 1.308 8.863 7.380 480 HA GLU 78 HA GLU 78 0.423 10.706 5.435 481 HB2 GLU 78 HB2 GLU 78 2.370 11.177 6.767 482 HB3 GLU 78 HB3 GLU 78 3.201 9.765 6.133 483 HG2 GLU 78 HG2 GLU 78 4.056 11.782 5.127 484 HG3 GLU 78 HG3 GLU 78 3.250 10.783 3.923 485 H ILE 79 H ILE 79 2.123 7.573 5.093 486 HA ILE 79 HA ILE 79 2.406 7.616 2.306 487 HB ILE 79 HB ILE 79 2.209 5.372 4.282 488 HG12 ILE 79 HG12 ILE 79 4.327 4.862 2.647 489 HG13 ILE 79 HG13 ILE 79 4.254 6.618 2.559 490 HG21 ILE 79 HG21 ILE 79 0.901 4.932 2.053 491 HG22 ILE 79 HG22 ILE 79 1.952 3.692 2.741 492 HG23 ILE 79 HG23 ILE 79 2.521 4.690 1.401 493 HD11 ILE 79 HD11 ILE 79 4.387 5.055 5.122 494 HD12 ILE 79 HD12 ILE 79 4.544 6.799 4.925 495 HD13 ILE 79 HD13 ILE 79 5.789 5.726 4.289 496 H VAL 80 H VAL 80 -0.260 6.306 4.281 497 HA VAL 80 HA VAL 80 -1.778 5.571 1.996 498 HB VAL 80 HB VAL 80 -2.179 4.336 3.987 499 HG11 VAL 80 HG11 VAL 80 -3.006 6.918 5.285 500 HG12 VAL 80 HG12 VAL 80 -1.560 5.982 5.655 501 HG13 VAL 80 HG13 VAL 80 -3.155 5.316 6.007 502 HG21 VAL 80 HG21 VAL 80 -4.095 4.615 2.546 503 HG22 VAL 80 HG22 VAL 80 -4.516 6.104 3.390 504 HG23 VAL 80 HG23 VAL 80 -4.608 4.559 4.236 505 H ASP 81 H ASP 81 -1.749 8.426 4.068 506 HA ASP 81 HA ASP 81 -3.995 9.713 2.962 507 HB2 ASP 81 HB2 ASP 81 -2.984 10.585 4.976 508 HB3 ASP 81 HB3 ASP 81 -1.465 10.868 4.135 509 H TYR 82 H TYR 82 -0.622 9.588 2.006 510 HA TYR 82 HA TYR 82 -0.715 11.426 -0.122 511 HB2 TYR 82 HB2 TYR 82 1.296 10.075 1.002 512 HB3 TYR 82 HB3 TYR 82 0.984 8.986 -0.339 513 HD1 TYR 82 HD2 TYR 82 1.073 9.907 -2.700 514 HD2 TYR 82 HD1 TYR 82 2.513 12.059 0.676 515 HE1 TYR 82 HE2 TYR 82 2.403 11.340 -4.190 516 HE2 TYR 82 HE1 TYR 82 3.847 13.498 -0.803 517 HH TYR 82 HH TYR 82 3.394 13.662 -4.113 518 H MET 83 H MET 83 -1.262 7.981 0.108 519 HA MET 83 HA MET 83 -1.691 7.353 -2.567 520 HB2 MET 83 HB2 MET 83 -3.030 6.170 -0.128 521 HB3 MET 83 HB3 MET 83 -2.988 5.437 -1.724 522 HG2 MET 83 HG2 MET 83 -0.601 6.005 0.010 523 HG3 MET 83 HG3 MET 83 -1.371 4.438 -0.208 524 HE1 MET 83 HE1 MET 83 -1.500 3.211 -2.610 525 HE2 MET 83 HE2 MET 83 -0.734 3.855 -4.062 526 HE3 MET 83 HE3 MET 83 -2.110 4.694 -3.346 527 H VAL 84 H VAL 84 -4.121 8.128 -0.072 528 HA VAL 84 HA VAL 84 -6.270 8.103 -1.929 529 HB VAL 84 HB VAL 84 -7.689 8.915 -0.228 530 HG11 VAL 84 HG11 VAL 84 -5.523 7.287 1.077 531 HG12 VAL 84 HG12 VAL 84 -6.896 6.671 0.164 532 HG13 VAL 84 HG13 VAL 84 -7.160 7.501 1.698 533 HG21 VAL 84 HG21 VAL 84 -6.779 10.851 0.631 534 HG22 VAL 84 HG22 VAL 84 -5.224 10.097 0.974 535 HG23 VAL 84 HG23 VAL 84 -6.619 9.736 1.988 536 H ALA 85 H ALA 85 -4.061 10.583 -0.894 537 HA ALA 85 HA ALA 85 -5.532 12.824 -1.707 538 HB1 ALA 85 HB1 ALA 85 -3.232 13.913 -1.821 539 HB2 ALA 85 HB2 ALA 85 -2.591 12.345 -1.330 540 HB3 ALA 85 HB3 ALA 85 -3.710 13.210 -0.276 541 H ARG 86 H ARG 86 -3.112 10.866 -3.418 542 HA ARG 86 HA ARG 86 -3.636 12.376 -5.877 543 HB2 ARG 86 HB2 ARG 86 -1.404 10.702 -4.881 544 HB3 ARG 86 HB3 ARG 86 -1.713 10.637 -6.607 545 HG2 ARG 86 HG2 ARG 86 -0.031 12.279 -6.210 546 HG3 ARG 86 HG3 ARG 86 -1.508 13.118 -6.679 547 HD2 ARG 86 HD2 ARG 86 -0.782 12.717 -3.793 548 HD3 ARG 86 HD3 ARG 86 -0.123 14.059 -4.725 549 HE ARG 86 HE ARG 86 -3.028 13.736 -4.657 550 HH11 ARG 86 HH11 ARG 86 -0.173 15.466 -3.600 551 HH12 ARG 86 HH12 ARG 86 -1.064 16.843 -3.010 552 HH21 ARG 86 HH22 ARG 86 -4.213 15.536 -3.864 553 HH22 ARG 86 HH21 ARG 86 -3.361 16.880 -3.169 554 H TYR 87 H TYR 87 -3.477 9.019 -4.759 555 HA TYR 87 HA TYR 87 -4.634 8.051 -7.252 556 HB2 TYR 87 HB2 TYR 87 -3.612 6.545 -4.840 557 HB3 TYR 87 HB3 TYR 87 -4.090 5.825 -6.370 558 HD1 TYR 87 HD2 TYR 87 -2.774 6.685 -8.473 559 HD2 TYR 87 HD1 TYR 87 -1.382 7.059 -4.470 560 HE1 TYR 87 HE2 TYR 87 -0.478 6.946 -9.305 561 HE2 TYR 87 HE1 TYR 87 0.936 7.317 -5.286 562 HH TYR 87 HH TYR 87 1.646 7.881 -8.590 563 H GLY 88 H GLY 88 -6.279 9.602 -5.375 564 HA2 GLY 88 HA2 GLY 88 -7.774 7.935 -3.668 565 HA3 GLY 88 HA3 GLY 88 -8.247 9.538 -4.204 566 H ASN 89 H ASN 89 -7.932 8.199 -7.053 567 HA ASN 89 HA ASN 89 -10.730 7.513 -7.246 568 HB2 ASN 89 HB2 ASN 89 -8.548 7.668 -9.329 569 HB3 ASN 89 HB3 ASN 89 -10.208 7.211 -9.696 570 HD21 ASN 89 HD22 ASN 89 -8.053 9.794 -8.955 571 HD22 ASN 89 HD21 ASN 89 -9.186 11.081 -9.164 572 H PHE 90 H PHE 90 -7.985 5.854 -6.463 573 HA PHE 90 HA PHE 90 -9.188 3.295 -7.291 574 HB2 PHE 90 HB2 PHE 90 -6.226 3.914 -7.179 575 HB3 PHE 90 HB3 PHE 90 -6.948 2.375 -7.634 576 HD1 PHE 90 HD2 PHE 90 -8.212 2.196 -9.756 577 HD2 PHE 90 HD1 PHE 90 -6.008 5.684 -8.729 578 HE1 PHE 90 HE2 PHE 90 -8.263 2.914 -12.107 579 HE2 PHE 90 HE1 PHE 90 -6.050 6.407 -11.080 580 HZ PHE 90 HZ PHE 90 -7.182 5.022 -12.773 581 H VAL 91 H VAL 91 -8.128 5.242 -4.760 582 HA VAL 91 HA VAL 91 -7.834 2.932 -2.967 583 HB VAL 91 HB VAL 91 -5.843 3.607 -2.066 584 HG11 VAL 91 HG11 VAL 91 -5.421 5.076 -4.645 585 HG12 VAL 91 HG12 VAL 91 -5.622 3.313 -4.602 586 HG13 VAL 91 HG13 VAL 91 -4.285 4.070 -3.732 587 HG21 VAL 91 HG21 VAL 91 -6.557 5.754 -1.274 588 HG22 VAL 91 HG22 VAL 91 -6.488 6.420 -2.904 589 HG23 VAL 91 HG23 VAL 91 -5.001 5.931 -2.087 590 H THR 92 H THR 92 -8.190 3.457 -0.680 591 HA THR 92 HA THR 92 -9.176 6.089 0.005 592 HB THR 92 HB THR 92 -10.977 3.656 0.249 593 HG1 THR 92 HG1 THR 92 -10.683 5.380 -1.727 594 HG21 THR 92 HG21 THR 92 -11.157 5.095 2.219 595 HG22 THR 92 HG22 THR 92 -12.618 5.193 1.231 596 HG23 THR 92 HG23 THR 92 -11.428 6.495 1.181 597 H TYR 93 H TYR 93 -8.785 6.554 2.155 598 HA TYR 93 HA TYR 93 -7.397 4.512 3.686 599 HB2 TYR 93 HB2 TYR 93 -6.335 6.659 3.698 600 HB3 TYR 93 HB3 TYR 93 -7.823 7.470 4.169 601 HD1 TYR 93 HD1 TYR 93 -5.819 4.580 5.464 602 HD2 TYR 93 HD2 TYR 93 -7.769 8.254 6.350 603 HE1 TYR 93 HE1 TYR 93 -5.164 4.347 7.820 604 HE2 TYR 93 HE2 TYR 93 -7.119 8.033 8.712 605 HH TYR 93 HH TYR 93 -6.496 6.244 10.298 606 H ASP 94 H ASP 94 -8.568 3.147 4.797 607 HA ASP 94 HA ASP 94 -10.605 4.047 6.638 608 HB2 ASP 94 HB2 ASP 94 -11.271 2.835 4.047 609 HB3 ASP 94 HB3 ASP 94 -11.972 1.980 5.410 610 HA PRO 95 HA PRO 95 -9.243 0.375 8.853 611 HB2 PRO 95 HB3 PRO 95 -11.668 -0.553 9.799 612 HB3 PRO 95 HB2 PRO 95 -10.721 0.724 10.568 613 HG2 PRO 95 HG2 PRO 95 -13.070 0.949 8.732 614 HG3 PRO 95 HG3 PRO 95 -12.690 1.888 10.189 615 HD2 PRO 95 HD2 PRO 95 -12.272 2.878 7.732 616 HD3 PRO 95 HD3 PRO 95 -11.162 3.231 9.073 617 HA PRO 96 HA PRO 96 -9.971 -2.945 6.062 618 HB2 PRO 96 HB3 PRO 96 -9.774 -5.074 7.977 619 HB3 PRO 96 HB2 PRO 96 -8.528 -4.457 6.898 620 HG2 PRO 96 HG2 PRO 96 -8.506 -4.220 9.647 621 HG3 PRO 96 HG3 PRO 96 -7.554 -3.240 8.523 622 HD2 PRO 96 HD2 PRO 96 -10.063 -2.580 9.967 623 HD3 PRO 96 HD3 PRO 96 -8.713 -1.532 9.487 624 H LEU 97 H LEU 97 -11.107 -5.349 6.185 625 HA LEU 97 HA LEU 97 -13.933 -4.759 6.653 626 HB2 LEU 97 HB2 LEU 97 -12.454 -6.950 5.244 627 HB3 LEU 97 HB3 LEU 97 -14.171 -7.075 5.568 628 HG LEU 97 HG LEU 97 -13.875 -6.344 3.301 629 HD11 LEU 97 HD11 LEU 97 -15.747 -5.383 4.521 630 HD12 LEU 97 HD12 LEU 97 -15.118 -4.247 3.327 631 HD13 LEU 97 HD13 LEU 97 -14.734 -4.034 5.036 632 HD21 LEU 97 HD21 LEU 97 -11.628 -5.422 3.464 633 HD22 LEU 97 HD22 LEU 97 -12.240 -4.062 4.407 634 HD23 LEU 97 HD23 LEU 97 -12.731 -4.262 2.725 635 H THR 98 H THR 98 -11.769 -5.365 8.601 636 HA THR 98 HA THR 98 -11.941 -7.766 9.866 637 HB THR 98 HB THR 98 -10.311 -6.108 10.533 638 HG1 THR 98 HG1 THR 98 -11.842 -6.229 12.883 639 HG21 THR 98 HG21 THR 98 -11.621 -4.085 10.204 640 HG22 THR 98 HG22 THR 98 -10.920 -4.111 11.822 641 HG23 THR 98 HG23 THR 98 -12.627 -4.490 11.596 642 HA PRO 99 HA PRO 99 -16.179 -7.823 11.412 643 HB2 PRO 99 HB3 PRO 99 -15.926 -10.216 12.683 644 HB3 PRO 99 HB2 PRO 99 -16.214 -10.071 10.944 645 HG2 PRO 99 HG2 PRO 99 -13.654 -10.571 12.410 646 HG3 PRO 99 HG3 PRO 99 -14.251 -11.312 10.913 647 HD2 PRO 99 HD2 PRO 99 -12.402 -9.334 10.935 648 HD3 PRO 99 HD3 PRO 99 -13.572 -9.537 9.617 Start of MODEL 6 1 H THR 19 H1 THR 19 12.779 -13.354 -4.457 2 HA THR 19 HA THR 19 12.373 -11.065 -4.862 3 HB THR 19 HB THR 19 13.138 -12.403 -7.466 4 HG1 THR 19 HG1 THR 19 15.276 -12.375 -6.529 5 HG21 THR 19 HG21 THR 19 13.990 -9.773 -6.239 6 HG22 THR 19 HG22 THR 19 12.882 -9.960 -7.599 7 HG23 THR 19 HG23 THR 19 14.572 -10.439 -7.765 8 H ILE 20 H ILE 20 10.353 -10.260 -4.816 9 HA ILE 20 HA ILE 20 8.300 -10.820 -6.646 10 HB ILE 20 HB ILE 20 7.519 -9.955 -4.651 11 HG12 ILE 20 HG12 ILE 20 6.360 -7.888 -5.090 12 HG13 ILE 20 HG13 ILE 20 7.527 -7.435 -6.322 13 HG21 ILE 20 HG21 ILE 20 9.531 -7.723 -4.847 14 HG22 ILE 20 HG22 ILE 20 9.612 -9.124 -3.781 15 HG23 ILE 20 HG23 ILE 20 8.345 -7.918 -3.557 16 HD11 ILE 20 HD11 ILE 20 5.810 -9.873 -6.588 17 HD12 ILE 20 HD12 ILE 20 6.699 -8.988 -7.833 18 HD13 ILE 20 HD13 ILE 20 5.262 -8.272 -7.093 19 H ASP 21 H ASP 21 10.190 -7.772 -6.426 20 HA ASP 21 HA ASP 21 9.949 -7.477 -9.303 21 HB2 ASP 21 HB2 ASP 21 7.826 -6.591 -8.091 22 HB3 ASP 21 HB3 ASP 21 8.861 -5.281 -7.553 23 H VAL 22 H VAL 22 10.542 -4.629 -9.233 24 HA VAL 22 HA VAL 22 13.309 -4.644 -8.382 25 HB VAL 22 HB VAL 22 12.444 -3.399 -10.422 26 HG11 VAL 22 HG11 VAL 22 10.440 -2.459 -9.208 27 HG12 VAL 22 HG12 VAL 22 11.344 -1.311 -10.196 28 HG13 VAL 22 HG13 VAL 22 11.545 -1.318 -8.444 29 HG21 VAL 22 HG21 VAL 22 14.652 -2.970 -9.398 30 HG22 VAL 22 HG22 VAL 22 13.916 -1.706 -8.411 31 HG23 VAL 22 HG23 VAL 22 13.962 -1.541 -10.169 32 H LEU 23 H LEU 23 10.372 -4.215 -6.951 33 HA LEU 23 HA LEU 23 11.027 -2.122 -5.092 34 HB2 LEU 23 HB2 LEU 23 8.745 -4.030 -4.769 35 HB3 LEU 23 HB3 LEU 23 8.844 -2.340 -4.319 36 HG LEU 23 HG LEU 23 8.632 -3.386 -7.143 37 HD11 LEU 23 HD11 LEU 23 6.602 -2.069 -5.362 38 HD12 LEU 23 HD12 LEU 23 6.575 -3.729 -5.951 39 HD13 LEU 23 HD13 LEU 23 6.386 -2.387 -7.081 40 HD21 LEU 23 HD21 LEU 23 9.823 -1.353 -7.252 41 HD22 LEU 23 HD22 LEU 23 8.805 -0.600 -6.032 42 HD23 LEU 23 HD23 LEU 23 8.148 -0.950 -7.626 43 H GLN 24 H GLN 24 13.010 -3.320 -4.472 44 HA GLN 24 HA GLN 24 12.659 -5.711 -2.922 45 HB2 GLN 24 HB2 GLN 24 15.079 -4.057 -3.596 46 HB3 GLN 24 HB3 GLN 24 15.152 -5.483 -2.572 47 HG2 GLN 24 HG2 GLN 24 14.207 -5.423 -5.429 48 HG3 GLN 24 HG3 GLN 24 15.790 -5.970 -4.879 49 HE21 GLN 24 HE22 GLN 24 15.942 -7.891 -3.709 50 HE22 GLN 24 HE21 GLN 24 14.691 -9.081 -3.743 51 H PHE 25 H PHE 25 12.328 -5.832 -0.840 52 HA PHE 25 HA PHE 25 12.591 -3.501 0.867 53 HB2 PHE 25 HB2 PHE 25 11.760 -6.333 1.555 54 HB3 PHE 25 HB3 PHE 25 11.591 -4.912 2.595 55 HD1 PHE 25 HD1 PHE 25 10.059 -3.065 1.888 56 HD2 PHE 25 HD2 PHE 25 10.141 -6.842 -0.077 57 HE1 PHE 25 HE1 PHE 25 7.861 -2.592 0.891 58 HE2 PHE 25 HE2 PHE 25 7.942 -6.371 -1.073 59 HZ PHE 25 HZ PHE 25 6.799 -4.245 -0.592 60 H LYS 26 H LYS 26 14.223 -3.036 2.005 61 HA LYS 26 HA LYS 26 16.739 -4.022 1.624 62 HB2 LYS 26 HB2 LYS 26 16.828 -1.942 2.492 63 HB3 LYS 26 HB3 LYS 26 15.361 -2.159 3.411 64 HG2 LYS 26 HG2 LYS 26 17.455 -3.696 4.593 65 HG3 LYS 26 HG3 LYS 26 17.981 -2.022 4.367 66 HD2 LYS 26 HD2 LYS 26 15.402 -2.890 5.665 67 HD3 LYS 26 HD3 LYS 26 16.849 -2.359 6.538 68 HE2 LYS 26 HE2 LYS 26 15.091 -0.756 4.693 69 HE3 LYS 26 HE3 LYS 26 15.302 -0.538 6.423 70 HZ1 LYS 26 HZ1 LYS 26 17.465 -0.159 4.420 71 HZ2 LYS 26 HZ2 LYS 26 17.545 0.178 6.082 72 HZ3 LYS 26 HZ3 LYS 26 16.533 1.094 5.070 73 H ASP 27 H ASP 27 14.398 -4.895 4.045 74 HA ASP 27 HA ASP 27 15.615 -7.444 4.445 75 HB2 ASP 27 HB2 ASP 27 15.836 -7.213 6.916 76 HB3 ASP 27 HB3 ASP 27 16.971 -6.193 6.038 77 H GLU 28 H GLU 28 14.187 -8.176 6.762 78 HA GLU 28 HA GLU 28 11.531 -8.276 5.703 79 HB2 GLU 28 HB2 GLU 28 10.931 -9.482 7.749 80 HB3 GLU 28 HB3 GLU 28 12.385 -10.150 7.028 81 HG2 GLU 28 HG2 GLU 28 12.516 -8.148 9.256 82 HG3 GLU 28 HG3 GLU 28 12.305 -9.874 9.565 83 H ALA 29 H ALA 29 13.252 -6.224 7.886 84 HA ALA 29 HA ALA 29 11.086 -5.136 9.311 85 HB1 ALA 29 HB1 ALA 29 12.562 -3.381 9.973 86 HB2 ALA 29 HB2 ALA 29 13.631 -3.685 8.598 87 HB3 ALA 29 HB3 ALA 29 13.504 -4.871 9.904 88 H GLN 30 H GLN 30 12.713 -4.086 6.312 89 HA GLN 30 HA GLN 30 11.142 -1.804 5.848 90 HB2 GLN 30 HB2 GLN 30 13.241 -2.754 4.481 91 HB3 GLN 30 HB3 GLN 30 11.970 -3.479 3.509 92 HG2 GLN 30 HG2 GLN 30 10.978 -1.310 3.144 93 HG3 GLN 30 HG3 GLN 30 12.225 -0.550 4.126 94 HE21 GLN 30 HE22 GLN 30 11.421 -1.928 1.076 95 HE22 GLN 30 HE21 GLN 30 12.890 -1.516 0.260 96 H GLU 31 H GLU 31 10.569 -5.181 5.304 97 HA GLU 31 HA GLU 31 8.238 -4.764 3.671 98 HB2 GLU 31 HB2 GLU 31 9.768 -6.685 3.357 99 HB3 GLU 31 HB3 GLU 31 9.303 -7.295 4.931 100 HG2 GLU 31 HG2 GLU 31 7.058 -7.679 4.193 101 HG3 GLU 31 HG3 GLU 31 7.379 -6.869 2.660 102 H GLN 32 H GLN 32 8.921 -5.224 7.067 103 HA GLN 32 HA GLN 32 6.368 -5.980 7.981 104 HB2 GLN 32 HB2 GLN 32 8.431 -4.218 9.326 105 HB3 GLN 32 HB3 GLN 32 7.047 -4.938 10.134 106 HG2 GLN 32 HG2 GLN 32 7.959 -7.171 9.584 107 HG3 GLN 32 HG3 GLN 32 9.383 -6.378 8.911 108 HE21 GLN 32 HE22 GLN 32 7.631 -5.273 11.736 109 HE22 GLN 32 HE21 GLN 32 8.896 -5.594 12.874 110 H GLN 33 H GLN 33 7.790 -2.814 7.323 111 HA GLN 33 HA GLN 33 5.584 -1.255 8.143 112 HB2 GLN 33 HB2 GLN 33 7.818 -0.305 7.784 113 HB3 GLN 33 HB3 GLN 33 7.707 -0.664 6.071 114 HG2 GLN 33 HG2 GLN 33 5.910 0.907 5.804 115 HG3 GLN 33 HG3 GLN 33 5.868 1.197 7.545 116 HE21 GLN 33 HE22 GLN 33 6.321 3.059 5.348 117 HE22 GLN 33 HE21 GLN 33 7.843 3.810 5.674 118 H PHE 34 H PHE 34 6.480 -2.779 5.128 119 HA PHE 34 HA PHE 34 4.554 -1.686 3.434 120 HB2 PHE 34 HB2 PHE 34 6.502 -3.060 2.726 121 HB3 PHE 34 HB3 PHE 34 5.704 -4.483 3.379 122 HD1 PHE 34 HD1 PHE 34 5.261 -1.765 0.888 123 HD2 PHE 34 HD2 PHE 34 4.315 -5.748 2.039 124 HE1 PHE 34 HE1 PHE 34 4.112 -2.107 -1.258 125 HE2 PHE 34 HE2 PHE 34 3.167 -6.100 -0.108 126 HZ PHE 34 HZ PHE 34 3.153 -4.312 -1.798 127 H ARG 35 H ARG 35 4.390 -4.326 5.740 128 HA ARG 35 HA ARG 35 1.964 -5.499 5.059 129 HB2 ARG 35 HB2 ARG 35 3.547 -5.214 7.553 130 HB3 ARG 35 HB3 ARG 35 1.871 -5.672 7.742 131 HG2 ARG 35 HG2 ARG 35 3.622 -7.512 7.648 132 HG3 ARG 35 HG3 ARG 35 2.170 -7.708 6.664 133 HD2 ARG 35 HD2 ARG 35 4.595 -6.442 5.512 134 HD3 ARG 35 HD3 ARG 35 4.522 -8.196 5.662 135 HE ARG 35 HE ARG 35 2.263 -6.918 4.338 136 HH11 ARG 35 HH11 ARG 35 5.278 -8.677 4.045 137 HH12 ARG 35 HH12 ARG 35 5.033 -9.059 2.365 138 HH21 ARG 35 HH22 ARG 35 1.925 -7.471 2.140 139 HH22 ARG 35 HH21 ARG 35 3.133 -8.393 1.292 140 H GLN 36 H GLN 36 2.531 -2.794 7.310 141 HA GLN 36 HA GLN 36 -0.253 -2.456 7.857 142 HB2 GLN 36 HB2 GLN 36 2.068 -0.585 8.391 143 HB3 GLN 36 HB3 GLN 36 0.453 -0.419 9.061 144 HG2 GLN 36 HG2 GLN 36 0.700 -2.473 10.295 145 HG3 GLN 36 HG3 GLN 36 2.272 -2.763 9.553 146 HE21 GLN 36 HE22 GLN 36 1.516 -2.462 12.375 147 HE22 GLN 36 HE21 GLN 36 2.491 -1.163 12.989 148 H LEU 37 H LEU 37 2.041 -0.959 5.691 149 HA LEU 37 HA LEU 37 0.423 1.289 5.089 150 HB2 LEU 37 HB2 LEU 37 2.777 0.091 3.629 151 HB3 LEU 37 HB3 LEU 37 2.027 1.623 3.214 152 HG LEU 37 HG LEU 37 3.516 0.933 5.739 153 HD11 LEU 37 HD11 LEU 37 4.990 1.436 3.941 154 HD12 LEU 37 HD12 LEU 37 4.930 2.848 4.996 155 HD13 LEU 37 HD13 LEU 37 4.036 2.844 3.476 156 HD21 LEU 37 HD21 LEU 37 3.084 3.268 6.422 157 HD22 LEU 37 HD22 LEU 37 1.625 2.276 6.378 158 HD23 LEU 37 HD23 LEU 37 1.953 3.425 5.078 159 H THR 38 H THR 38 0.478 -1.964 3.892 160 HA THR 38 HA THR 38 -1.159 -1.189 1.604 161 HB THR 38 HB THR 38 -1.134 -3.709 1.142 162 HG1 THR 38 HG1 THR 38 1.125 -3.606 2.878 163 HG21 THR 38 HG21 THR 38 1.237 -1.886 0.915 164 HG22 THR 38 HG22 THR 38 0.095 -2.392 -0.326 165 HG23 THR 38 HG23 THR 38 1.292 -3.532 0.289 166 H GLU 39 H GLU 39 -1.536 -2.464 4.820 167 HA GLU 39 HA GLU 39 -4.114 -3.648 4.098 168 HB2 GLU 39 HB2 GLU 39 -2.405 -3.897 6.557 169 HB3 GLU 39 HB3 GLU 39 -4.034 -4.554 6.456 170 HG2 GLU 39 HG2 GLU 39 -3.372 -5.936 4.566 171 HG3 GLU 39 HG3 GLU 39 -1.746 -5.262 4.637 172 H GLU 40 H GLU 40 -2.933 -0.771 5.494 173 HA GLU 40 HA GLU 40 -5.490 -0.270 6.834 174 HB2 GLU 40 HB2 GLU 40 -3.219 0.382 7.841 175 HB3 GLU 40 HB3 GLU 40 -3.193 1.671 6.646 176 HG2 GLU 40 HG2 GLU 40 -5.152 2.669 7.565 177 HG3 GLU 40 HG3 GLU 40 -5.424 1.288 8.625 178 H LEU 41 H LEU 41 -4.262 -0.110 3.829 179 HA LEU 41 HA LEU 41 -5.645 2.339 3.051 180 HB2 LEU 41 HB2 LEU 41 -3.448 2.136 2.132 181 HB3 LEU 41 HB3 LEU 41 -3.755 0.501 1.586 182 HG LEU 41 HG LEU 41 -5.243 1.285 -0.137 183 HD11 LEU 41 HD11 LEU 41 -6.358 3.081 0.941 184 HD12 LEU 41 HD12 LEU 41 -5.544 3.743 -0.485 185 HD13 LEU 41 HD13 LEU 41 -4.852 3.992 1.121 186 HD21 LEU 41 HD21 LEU 41 -2.979 1.264 -0.805 187 HD22 LEU 41 HD22 LEU 41 -2.638 2.765 0.053 188 HD23 LEU 41 HD23 LEU 41 -3.650 2.786 -1.391 189 H ARG 42 H ARG 42 -7.556 2.328 2.034 190 HA ARG 42 HA ARG 42 -8.830 -0.246 1.655 191 HB2 ARG 42 HB2 ARG 42 -9.824 2.108 2.638 192 HB3 ARG 42 HB3 ARG 42 -10.371 2.163 0.969 193 HG2 ARG 42 HG2 ARG 42 -11.161 -0.282 1.451 194 HG3 ARG 42 HG3 ARG 42 -11.083 0.256 3.130 195 HD2 ARG 42 HD2 ARG 42 -13.313 0.521 2.165 196 HD3 ARG 42 HD3 ARG 42 -12.612 2.043 2.689 197 HE ARG 42 HE ARG 42 -11.977 1.979 0.076 198 HH11 ARG 42 HH11 ARG 42 -14.973 1.429 1.791 199 HH12 ARG 42 HH12 ARG 42 -15.973 2.063 0.515 200 HH21 ARG 42 HH22 ARG 42 -13.289 2.793 -1.624 201 HH22 ARG 42 HH21 ARG 42 -15.017 2.810 -1.440 202 H CYS 43 H CYS 43 -9.466 -1.056 -0.253 203 HA CYS 43 HA CYS 43 -9.014 0.563 -2.664 204 HB2 CYS 43 HB2 CYS 43 -8.532 -1.681 -3.780 205 HB3 CYS 43 HB3 CYS 43 -7.294 -1.084 -2.675 206 HG CYS 43 HG CYS 43 -9.661 -3.228 -1.513 207 HA PRO 44 HA PRO 44 -13.351 -0.076 -3.333 208 HB2 PRO 44 HB3 PRO 44 -12.689 0.214 -6.206 209 HB3 PRO 44 HB2 PRO 44 -13.790 1.164 -5.200 210 HG2 PRO 44 HG2 PRO 44 -11.443 2.157 -5.992 211 HG3 PRO 44 HG3 PRO 44 -12.088 2.504 -4.375 212 HD2 PRO 44 HD2 PRO 44 -9.961 0.561 -5.195 213 HD3 PRO 44 HD3 PRO 44 -10.017 1.638 -3.784 214 H LYS 45 H LYS 45 -13.288 -2.297 -2.758 215 HA LYS 45 HA LYS 45 -14.318 -3.989 -4.755 216 HB2 LYS 45 HB2 LYS 45 -11.879 -4.152 -5.344 217 HB3 LYS 45 HB3 LYS 45 -11.584 -4.814 -3.743 218 HG2 LYS 45 HG2 LYS 45 -12.950 -6.728 -4.230 219 HG3 LYS 45 HG3 LYS 45 -13.411 -6.048 -5.790 220 HD2 LYS 45 HD2 LYS 45 -11.034 -6.125 -6.478 221 HD3 LYS 45 HD3 LYS 45 -10.643 -6.898 -4.940 222 HE2 LYS 45 HE2 LYS 45 -12.077 -8.779 -5.499 223 HE3 LYS 45 HE3 LYS 45 -12.546 -7.996 -7.008 224 HZ1 LYS 45 HZ1 LYS 45 -10.884 -9.572 -7.526 225 HZ2 LYS 45 HZ2 LYS 45 -9.867 -9.044 -6.271 226 HZ3 LYS 45 HZ3 LYS 45 -10.138 -8.054 -7.622 227 H CYS 46 H CYS 46 -15.817 -5.030 -3.634 228 HA CYS 46 HA CYS 46 -15.809 -5.100 -0.787 229 HB2 CYS 46 HB2 CYS 46 -17.611 -6.622 -2.678 230 HB3 CYS 46 HB3 CYS 46 -17.944 -6.217 -0.997 231 HG CYS 46 HG CYS 46 -18.585 -3.662 -1.344 232 H GLN 47 H GLN 47 -14.973 -7.406 -3.273 233 HA GLN 47 HA GLN 47 -14.602 -9.489 -1.250 234 HB2 GLN 47 HB2 GLN 47 -14.413 -9.643 -4.264 235 HB3 GLN 47 HB3 GLN 47 -14.273 -11.006 -3.159 236 HG2 GLN 47 HG2 GLN 47 -16.703 -9.258 -3.480 237 HG3 GLN 47 HG3 GLN 47 -16.493 -10.863 -4.185 238 HE21 GLN 47 HE22 GLN 47 -15.117 -11.887 -1.809 239 HE22 GLN 47 HE21 GLN 47 -16.337 -12.105 -0.598 240 H ASN 48 H ASN 48 -12.896 -7.513 -0.820 241 HA ASN 48 HA ASN 48 -10.346 -8.770 -1.198 242 HB2 ASN 48 HB2 ASN 48 -10.603 -7.518 -3.334 243 HB3 ASN 48 HB3 ASN 48 -10.792 -6.032 -2.410 244 HD21 ASN 48 HD22 ASN 48 -9.008 -5.158 -3.470 245 HD22 ASN 48 HD21 ASN 48 -7.391 -5.609 -3.049 246 H ASN 49 H ASN 49 -9.205 -8.430 0.566 247 HA ASN 49 HA ASN 49 -10.270 -6.817 2.668 248 HB2 ASN 49 HB2 ASN 49 -9.298 -8.883 3.312 249 HB3 ASN 49 HB3 ASN 49 -7.814 -8.550 2.422 250 HD21 ASN 49 HD22 ASN 49 -9.684 -7.772 5.271 251 HD22 ASN 49 HD21 ASN 49 -8.383 -7.056 6.161 252 H SER 50 H SER 50 -7.339 -6.683 0.689 253 HA SER 50 HA SER 50 -7.116 -3.865 0.868 254 HB2 SER 50 HB2 SER 50 -4.953 -3.831 2.145 255 HB3 SER 50 HB3 SER 50 -6.344 -4.288 3.130 256 HG SER 50 HG SER 50 -5.638 -6.320 3.237 257 H ILE 51 H ILE 51 -4.898 -3.180 -0.059 258 HA ILE 51 HA ILE 51 -4.566 -4.579 -2.519 259 HB ILE 51 HB ILE 51 -2.786 -2.965 -3.026 260 HG12 ILE 51 HG12 ILE 51 -3.286 -1.873 -0.249 261 HG13 ILE 51 HG13 ILE 51 -1.875 -2.815 -0.712 262 HG21 ILE 51 HG21 ILE 51 -5.094 -2.358 -3.457 263 HG22 ILE 51 HG22 ILE 51 -4.168 -0.941 -2.964 264 HG23 ILE 51 HG23 ILE 51 -5.255 -1.726 -1.818 265 HD11 ILE 51 HD11 ILE 51 -2.643 -0.168 -1.919 266 HD12 ILE 51 HD12 ILE 51 -1.178 -1.095 -2.242 267 HD13 ILE 51 HD13 ILE 51 -1.444 -0.399 -0.644 268 H ALA 52 H ALA 52 -3.392 -5.253 0.492 269 HA ALA 52 HA ALA 52 -0.719 -5.992 0.011 270 HB1 ALA 52 HB1 ALA 52 -2.678 -7.102 2.014 271 HB2 ALA 52 HB2 ALA 52 -1.604 -5.725 2.258 272 HB3 ALA 52 HB3 ALA 52 -0.932 -7.342 2.048 273 H ASP 53 H ASP 53 -3.756 -7.806 -0.217 274 HA ASP 53 HA ASP 53 -2.335 -9.836 -1.801 275 HB2 ASP 53 HB2 ASP 53 -2.819 -10.557 0.622 276 HB3 ASP 53 HB3 ASP 53 -4.516 -10.566 0.154 277 H SER 54 H SER 54 -3.512 -7.923 -3.135 278 HA SER 54 HA SER 54 -6.268 -8.670 -3.723 279 HB2 SER 54 HB2 SER 54 -4.571 -6.523 -5.015 280 HB3 SER 54 HB3 SER 54 -6.319 -6.708 -5.148 281 HG SER 54 HG SER 54 -5.751 -6.622 -2.571 282 H ASN 55 H ASN 55 -3.078 -9.084 -4.948 283 HA ASN 55 HA ASN 55 -2.172 -10.229 -6.675 284 HB2 ASN 55 HB2 ASN 55 -4.950 -11.385 -6.938 285 HB3 ASN 55 HB3 ASN 55 -3.538 -11.976 -7.808 286 HD21 ASN 55 HD22 ASN 55 -5.248 -11.926 -4.834 287 HD22 ASN 55 HD21 ASN 55 -4.224 -13.020 -3.972 288 H SER 56 H SER 56 -4.176 -7.784 -7.015 289 HA SER 56 HA SER 56 -4.557 -7.849 -9.880 290 HB2 SER 56 HB2 SER 56 -6.331 -6.883 -8.564 291 HB3 SER 56 HB3 SER 56 -5.214 -5.756 -7.799 292 HG SER 56 HG SER 56 -6.585 -5.447 -10.064 293 H MET 57 H MET 57 -3.495 -6.694 -11.342 294 HA MET 57 HA MET 57 -0.824 -5.977 -10.992 295 HB2 MET 57 HB2 MET 57 -2.423 -4.664 -13.140 296 HB3 MET 57 HB3 MET 57 -0.835 -5.406 -13.228 297 HG2 MET 57 HG2 MET 57 -1.736 -7.235 -14.054 298 HG3 MET 57 HG3 MET 57 -2.702 -7.423 -12.591 299 HE1 MET 57 HE1 MET 57 -5.936 -5.417 -13.482 300 HE2 MET 57 HE2 MET 57 -4.550 -5.140 -12.422 301 HE3 MET 57 HE3 MET 57 -5.352 -6.713 -12.438 302 H ILE 58 H ILE 58 -3.763 -4.130 -10.718 303 HA ILE 58 HA ILE 58 -2.444 -1.574 -10.756 304 HB ILE 58 HB ILE 58 -4.502 -0.634 -10.884 305 HG12 ILE 58 HG12 ILE 58 -6.583 -1.896 -9.865 306 HG13 ILE 58 HG13 ILE 58 -5.354 -2.674 -8.872 307 HG21 ILE 58 HG21 ILE 58 -4.948 -3.500 -11.676 308 HG22 ILE 58 HG22 ILE 58 -4.534 -2.121 -12.702 309 HG23 ILE 58 HG23 ILE 58 -6.137 -2.228 -11.975 310 HD11 ILE 58 HD11 ILE 58 -6.139 0.209 -8.993 311 HD12 ILE 58 HD12 ILE 58 -4.547 -0.288 -8.403 312 HD13 ILE 58 HD13 ILE 58 -6.012 -0.860 -7.593 313 H ALA 59 H ALA 59 -3.540 -3.865 -8.363 314 HA ALA 59 HA ALA 59 -3.276 -2.211 -6.088 315 HB1 ALA 59 HB1 ALA 59 -2.918 -5.197 -6.343 316 HB2 ALA 59 HB2 ALA 59 -4.415 -4.352 -5.949 317 HB3 ALA 59 HB3 ALA 59 -3.059 -4.314 -4.823 318 H THR 60 H THR 60 -1.032 -4.261 -7.871 319 HA THR 60 HA THR 60 1.264 -3.844 -6.323 320 HB THR 60 HB THR 60 1.019 -4.269 -9.302 321 HG1 THR 60 HG1 THR 60 1.034 -6.404 -8.820 322 HG21 THR 60 HG21 THR 60 3.218 -3.397 -8.601 323 HG22 THR 60 HG22 THR 60 3.309 -5.045 -9.225 324 HG23 THR 60 HG23 THR 60 3.379 -4.755 -7.485 325 H ASP 61 H ASP 61 -0.116 -2.031 -8.996 326 HA ASP 61 HA ASP 61 1.802 -0.129 -9.511 327 HB2 ASP 61 HB2 ASP 61 -0.693 -0.549 -10.423 328 HB3 ASP 61 HB3 ASP 61 -1.026 0.791 -9.337 329 H LEU 62 H LEU 62 -0.818 0.046 -7.139 330 HA LEU 62 HA LEU 62 -0.058 2.555 -6.022 331 HB2 LEU 62 HB2 LEU 62 -1.685 0.358 -4.734 332 HB3 LEU 62 HB3 LEU 62 -1.730 2.063 -4.341 333 HG LEU 62 HG LEU 62 -2.663 0.836 -6.932 334 HD11 LEU 62 HD11 LEU 62 -4.033 0.356 -4.901 335 HD12 LEU 62 HD12 LEU 62 -4.873 1.247 -6.168 336 HD13 LEU 62 HD13 LEU 62 -4.286 2.093 -4.736 337 HD21 LEU 62 HD21 LEU 62 -3.540 3.060 -7.415 338 HD22 LEU 62 HD22 LEU 62 -1.786 3.089 -7.234 339 HD23 LEU 62 HD23 LEU 62 -2.816 3.674 -5.929 340 H ARG 63 H ARG 63 0.712 -0.785 -5.271 341 HA ARG 63 HA ARG 63 1.870 -0.298 -2.739 342 HB2 ARG 63 HB2 ARG 63 2.171 -2.568 -4.692 343 HB3 ARG 63 HB3 ARG 63 3.029 -2.529 -3.155 344 HG2 ARG 63 HG2 ARG 63 0.866 -2.333 -1.988 345 HG3 ARG 63 HG3 ARG 63 0.044 -2.484 -3.541 346 HD2 ARG 63 HD2 ARG 63 1.935 -4.538 -2.421 347 HD3 ARG 63 HD3 ARG 63 0.188 -4.588 -2.205 348 HE ARG 63 HE ARG 63 0.943 -4.376 -4.956 349 HH11 ARG 63 HH11 ARG 63 0.525 -6.642 -2.326 350 HH12 ARG 63 HH12 ARG 63 0.341 -8.015 -3.363 351 HH21 ARG 63 HH22 ARG 63 0.708 -6.199 -6.343 352 HH22 ARG 63 HH21 ARG 63 0.421 -7.766 -5.639 353 H GLN 64 H GLN 64 3.086 -0.020 -5.990 354 HA GLN 64 HA GLN 64 5.827 0.204 -5.381 355 HB2 GLN 64 HB2 GLN 64 4.310 1.637 -7.559 356 HB3 GLN 64 HB3 GLN 64 6.049 1.386 -7.502 357 HG2 GLN 64 HG2 GLN 64 5.623 -1.065 -7.582 358 HG3 GLN 64 HG3 GLN 64 3.915 -0.711 -7.822 359 HE21 GLN 64 HE22 GLN 64 6.535 1.175 -9.172 360 HE22 GLN 64 HE21 GLN 64 6.259 0.735 -10.823 361 H LYS 65 H LYS 65 3.174 2.526 -5.311 362 HA LYS 65 HA LYS 65 4.717 4.795 -4.665 363 HB2 LYS 65 HB2 LYS 65 2.414 5.004 -5.406 364 HB3 LYS 65 HB3 LYS 65 1.851 4.165 -3.968 365 HG2 LYS 65 HG2 LYS 65 1.477 6.399 -3.440 366 HG3 LYS 65 HG3 LYS 65 3.022 6.042 -2.676 367 HD2 LYS 65 HD2 LYS 65 3.100 7.113 -5.436 368 HD3 LYS 65 HD3 LYS 65 2.672 8.224 -4.129 369 HE2 LYS 65 HE2 LYS 65 4.687 7.550 -2.924 370 HE3 LYS 65 HE3 LYS 65 5.113 6.486 -4.256 371 HZ1 LYS 65 HZ1 LYS 65 5.419 8.359 -5.682 372 HZ2 LYS 65 HZ2 LYS 65 6.284 8.665 -4.250 373 HZ3 LYS 65 HZ3 LYS 65 4.795 9.424 -4.525 374 H VAL 66 H VAL 66 3.056 2.397 -2.669 375 HA VAL 66 HA VAL 66 3.727 3.388 -0.151 376 HB VAL 66 HB VAL 66 3.320 0.534 -1.069 377 HG11 VAL 66 HG11 VAL 66 4.755 0.824 1.017 378 HG12 VAL 66 HG12 VAL 66 3.328 -0.200 1.154 379 HG13 VAL 66 HG13 VAL 66 3.300 1.447 1.789 380 HG21 VAL 66 HG21 VAL 66 1.153 0.765 -0.031 381 HG22 VAL 66 HG22 VAL 66 1.384 2.052 -1.214 382 HG23 VAL 66 HG23 VAL 66 1.552 2.397 0.507 383 H TYR 67 H TYR 67 5.596 1.394 -2.382 384 HA TYR 67 HA TYR 67 7.834 0.985 -0.713 385 HB2 TYR 67 HB2 TYR 67 7.629 -0.399 -2.631 386 HB3 TYR 67 HB3 TYR 67 7.468 0.982 -3.708 387 HD1 TYR 67 HD1 TYR 67 9.882 -0.738 -1.473 388 HD2 TYR 67 HD2 TYR 67 9.354 1.853 -4.808 389 HE1 TYR 67 HE1 TYR 67 12.296 -0.830 -1.914 390 HE2 TYR 67 HE2 TYR 67 11.772 1.766 -5.261 391 HH TYR 67 HH TYR 67 13.863 1.301 -4.042 392 H GLU 68 H GLU 68 7.214 3.448 -3.230 393 HA GLU 68 HA GLU 68 9.641 4.823 -2.968 394 HB2 GLU 68 HB2 GLU 68 6.972 6.042 -3.685 395 HB3 GLU 68 HB3 GLU 68 8.561 6.664 -4.107 396 HG2 GLU 68 HG2 GLU 68 8.944 4.667 -5.485 397 HG3 GLU 68 HG3 GLU 68 7.321 4.111 -5.092 398 H LEU 69 H LEU 69 6.509 5.442 -1.411 399 HA LEU 69 HA LEU 69 7.164 7.826 -0.122 400 HB2 LEU 69 HB2 LEU 69 5.173 5.682 0.570 401 HB3 LEU 69 HB3 LEU 69 5.290 7.190 1.453 402 HG LEU 69 HG LEU 69 4.608 6.885 -1.474 403 HD11 LEU 69 HD11 LEU 69 2.895 6.347 0.381 404 HD12 LEU 69 HD12 LEU 69 2.427 7.438 -0.915 405 HD13 LEU 69 HD13 LEU 69 2.886 8.085 0.658 406 HD21 LEU 69 HD21 LEU 69 4.481 9.213 -1.641 407 HD22 LEU 69 HD22 LEU 69 5.989 8.927 -0.774 408 HD23 LEU 69 HD23 LEU 69 4.549 9.433 0.108 409 H MET 70 H MET 70 7.881 4.537 0.819 410 HA MET 70 HA MET 70 8.500 4.939 3.514 411 HB2 MET 70 HB2 MET 70 9.829 3.092 1.514 412 HB3 MET 70 HB3 MET 70 10.093 3.026 3.249 413 HG2 MET 70 HG2 MET 70 7.730 2.504 3.583 414 HG3 MET 70 HG3 MET 70 7.478 2.554 1.839 415 HE1 MET 70 HE1 MET 70 7.148 -1.221 2.398 416 HE2 MET 70 HE2 MET 70 6.398 0.289 1.878 417 HE3 MET 70 HE3 MET 70 6.653 -0.025 3.597 418 H GLN 71 H GLN 71 10.612 5.181 0.642 419 HA GLN 71 HA GLN 71 12.764 6.224 2.277 420 HB2 GLN 71 HB2 GLN 71 13.974 6.326 0.050 421 HB3 GLN 71 HB3 GLN 71 13.508 4.729 0.619 422 HG2 GLN 71 HG2 GLN 71 11.682 4.640 -0.902 423 HG3 GLN 71 HG3 GLN 71 11.909 6.325 -1.359 424 HE21 GLN 71 HE22 GLN 71 11.899 3.923 -3.003 425 HE22 GLN 71 HE21 GLN 71 13.422 3.885 -3.822 426 H GLU 72 H GLU 72 10.091 7.516 0.755 427 HA GLU 72 HA GLU 72 11.241 10.110 0.231 428 HB2 GLU 72 HB2 GLU 72 8.349 9.298 0.590 429 HB3 GLU 72 HB3 GLU 72 8.897 10.882 0.056 430 HG2 GLU 72 HG2 GLU 72 9.975 9.764 -1.899 431 HG3 GLU 72 HG3 GLU 72 9.196 8.270 -1.384 432 H GLY 73 H GLY 73 10.040 8.341 2.907 433 HA2 GLY 73 HA2 GLY 73 10.620 8.873 5.110 434 HA3 GLY 73 HA3 GLY 73 10.850 10.549 4.633 435 H LYS 74 H LYS 74 8.042 8.694 3.753 436 HA LYS 74 HA LYS 74 6.328 10.615 5.067 437 HB2 LYS 74 HB2 LYS 74 5.494 8.071 3.677 438 HB3 LYS 74 HB3 LYS 74 4.524 9.502 3.966 439 HG2 LYS 74 HG2 LYS 74 6.962 9.542 2.208 440 HG3 LYS 74 HG3 LYS 74 5.347 9.154 1.612 441 HD2 LYS 74 HD2 LYS 74 4.800 11.303 1.510 442 HD3 LYS 74 HD3 LYS 74 5.277 11.560 3.191 443 HE2 LYS 74 HE2 LYS 74 7.350 11.344 1.059 444 HE3 LYS 74 HE3 LYS 74 6.479 12.865 1.276 445 HZ1 LYS 74 HZ1 LYS 74 7.188 12.797 3.645 446 HZ2 LYS 74 HZ2 LYS 74 8.481 12.936 2.556 447 HZ3 LYS 74 HZ3 LYS 74 8.146 11.451 3.286 448 H SER 75 H SER 75 4.603 9.897 6.509 449 HA SER 75 HA SER 75 5.482 7.786 8.340 450 HB2 SER 75 HB2 SER 75 3.439 9.992 8.666 451 HB3 SER 75 HB3 SER 75 3.866 8.816 9.917 452 HG SER 75 HG SER 75 4.975 10.983 9.869 453 H LYS 76 H LYS 76 3.408 6.647 9.419 454 HA LYS 76 HA LYS 76 2.491 4.966 7.372 455 HB2 LYS 76 HB2 LYS 76 1.865 5.287 10.253 456 HB3 LYS 76 HB3 LYS 76 0.734 4.362 9.278 457 HG2 LYS 76 HG2 LYS 76 2.254 2.830 10.242 458 HG3 LYS 76 HG3 LYS 76 2.652 2.943 8.537 459 HD2 LYS 76 HD2 LYS 76 4.104 4.688 10.465 460 HD3 LYS 76 HD3 LYS 76 4.522 2.979 10.396 461 HE2 LYS 76 HE2 LYS 76 4.917 3.210 7.972 462 HE3 LYS 76 HE3 LYS 76 4.571 4.936 8.095 463 HZ1 LYS 76 HZ1 LYS 76 6.787 3.487 9.456 464 HZ2 LYS 76 HZ2 LYS 76 6.445 5.141 9.638 465 HZ3 LYS 76 HZ3 LYS 76 6.943 4.544 8.132 466 H LYS 77 H LYS 77 0.640 7.371 9.239 467 HA LYS 77 HA LYS 77 -1.719 7.157 7.677 468 HB2 LYS 77 HB2 LYS 77 -0.857 9.623 9.188 469 HB3 LYS 77 HB3 LYS 77 -2.493 9.079 8.848 470 HG2 LYS 77 HG2 LYS 77 -0.534 7.749 10.694 471 HG3 LYS 77 HG3 LYS 77 -1.916 8.738 11.180 472 HD2 LYS 77 HD2 LYS 77 -3.410 7.120 10.049 473 HD3 LYS 77 HD3 LYS 77 -1.995 6.122 9.691 474 HE2 LYS 77 HE2 LYS 77 -1.611 5.671 11.978 475 HE3 LYS 77 HE3 LYS 77 -2.728 6.936 12.493 476 HZ1 LYS 77 HZ1 LYS 77 -4.562 5.667 11.677 477 HZ2 LYS 77 HZ2 LYS 77 -3.643 4.674 12.700 478 HZ3 LYS 77 HZ3 LYS 77 -3.538 4.491 11.013 479 H GLU 78 H GLU 78 1.185 9.035 7.449 480 HA GLU 78 HA GLU 78 0.302 10.892 5.507 481 HB2 GLU 78 HB2 GLU 78 2.225 11.326 6.892 482 HB3 GLU 78 HB3 GLU 78 3.071 9.931 6.241 483 HG2 GLU 78 HG2 GLU 78 3.960 11.919 5.269 484 HG3 GLU 78 HG3 GLU 78 3.082 11.015 4.038 485 H ILE 79 H ILE 79 1.962 7.744 5.237 486 HA ILE 79 HA ILE 79 2.257 7.756 2.447 487 HB ILE 79 HB ILE 79 2.149 5.572 4.485 488 HG12 ILE 79 HG12 ILE 79 4.197 5.162 2.621 489 HG13 ILE 79 HG13 ILE 79 4.112 6.905 2.818 490 HG21 ILE 79 HG21 ILE 79 0.800 5.057 2.246 491 HG22 ILE 79 HG22 ILE 79 1.791 3.838 3.052 492 HG23 ILE 79 HG23 ILE 79 2.429 4.714 1.659 493 HD11 ILE 79 HD11 ILE 79 4.314 5.017 5.143 494 HD12 ILE 79 HD12 ILE 79 4.611 6.754 5.124 495 HD13 ILE 79 HD13 ILE 79 5.725 5.661 4.305 496 H VAL 80 H VAL 80 -0.390 6.440 4.462 497 HA VAL 80 HA VAL 80 -1.913 5.611 2.220 498 HB VAL 80 HB VAL 80 -2.361 4.496 4.271 499 HG11 VAL 80 HG11 VAL 80 -3.127 7.169 5.420 500 HG12 VAL 80 HG12 VAL 80 -1.702 6.222 5.844 501 HG13 VAL 80 HG13 VAL 80 -3.314 5.617 6.235 502 HG21 VAL 80 HG21 VAL 80 -4.270 4.749 2.812 503 HG22 VAL 80 HG22 VAL 80 -4.651 6.291 3.576 504 HG23 VAL 80 HG23 VAL 80 -4.786 4.794 4.501 505 H ASP 81 H ASP 81 -1.851 8.577 4.113 506 HA ASP 81 HA ASP 81 -4.096 9.801 2.904 507 HB2 ASP 81 HB2 ASP 81 -3.109 10.720 4.940 508 HB3 ASP 81 HB3 ASP 81 -1.607 11.062 4.088 509 H TYR 82 H TYR 82 -0.691 9.652 2.086 510 HA TYR 82 HA TYR 82 -0.644 11.410 -0.099 511 HB2 TYR 82 HB2 TYR 82 1.324 10.165 1.069 512 HB3 TYR 82 HB3 TYR 82 0.923 8.838 -0.004 513 HD1 TYR 82 HD2 TYR 82 1.133 9.118 -2.468 514 HD2 TYR 82 HD1 TYR 82 2.529 12.065 0.264 515 HE1 TYR 82 HE2 TYR 82 2.524 10.091 -4.241 516 HE2 TYR 82 HE1 TYR 82 3.927 13.048 -1.506 517 HH TYR 82 HH TYR 82 4.959 12.381 -3.622 518 H MET 83 H MET 83 -1.363 8.004 0.196 519 HA MET 83 HA MET 83 -1.678 7.343 -2.489 520 HB2 MET 83 HB2 MET 83 -3.114 6.199 -0.087 521 HB3 MET 83 HB3 MET 83 -3.021 5.445 -1.672 522 HG2 MET 83 HG2 MET 83 -0.668 6.052 0.096 523 HG3 MET 83 HG3 MET 83 -1.450 4.485 -0.051 524 HE1 MET 83 HE1 MET 83 -2.147 4.525 -3.190 525 HE2 MET 83 HE2 MET 83 -1.520 3.097 -2.365 526 HE3 MET 83 HE3 MET 83 -0.755 3.667 -3.848 527 H VAL 84 H VAL 84 -4.215 8.209 -0.112 528 HA VAL 84 HA VAL 84 -6.265 8.201 -2.085 529 HB VAL 84 HB VAL 84 -7.768 9.053 -0.485 530 HG11 VAL 84 HG11 VAL 84 -5.710 7.409 0.956 531 HG12 VAL 84 HG12 VAL 84 -7.050 6.810 -0.016 532 HG13 VAL 84 HG13 VAL 84 -7.366 7.666 1.492 533 HG21 VAL 84 HG21 VAL 84 -6.865 10.995 0.389 534 HG22 VAL 84 HG22 VAL 84 -5.365 10.208 0.872 535 HG23 VAL 84 HG23 VAL 84 -6.848 9.907 1.775 536 H ALA 85 H ALA 85 -4.075 10.655 -0.955 537 HA ALA 85 HA ALA 85 -5.472 12.898 -1.898 538 HB1 ALA 85 HB1 ALA 85 -3.154 13.967 -1.868 539 HB2 ALA 85 HB2 ALA 85 -2.573 12.407 -1.285 540 HB3 ALA 85 HB3 ALA 85 -3.763 13.312 -0.347 541 H ARG 86 H ARG 86 -2.966 10.871 -3.383 542 HA ARG 86 HA ARG 86 -3.231 12.345 -5.894 543 HB2 ARG 86 HB2 ARG 86 -1.237 10.406 -4.803 544 HB3 ARG 86 HB3 ARG 86 -1.376 10.587 -6.541 545 HG2 ARG 86 HG2 ARG 86 0.407 11.971 -5.737 546 HG3 ARG 86 HG3 ARG 86 -0.907 13.001 -6.301 547 HD2 ARG 86 HD2 ARG 86 -1.021 12.314 -3.449 548 HD3 ARG 86 HD3 ARG 86 0.385 13.269 -3.920 549 HE ARG 86 HE ARG 86 -2.072 14.321 -4.966 550 HH11 ARG 86 HH11 ARG 86 0.001 14.229 -2.131 551 HH12 ARG 86 HH12 ARG 86 -0.583 15.735 -1.496 552 HH21 ARG 86 HH22 ARG 86 -2.838 16.317 -4.119 553 HH22 ARG 86 HH21 ARG 86 -2.172 16.924 -2.633 554 H TYR 87 H TYR 87 -3.370 8.983 -4.761 555 HA TYR 87 HA TYR 87 -4.476 8.125 -7.328 556 HB2 TYR 87 HB2 TYR 87 -3.530 6.485 -4.981 557 HB3 TYR 87 HB3 TYR 87 -3.964 5.869 -6.567 558 HD1 TYR 87 HD2 TYR 87 -2.517 6.617 -8.566 559 HD2 TYR 87 HD1 TYR 87 -1.353 7.157 -4.506 560 HE1 TYR 87 HE2 TYR 87 -0.173 6.873 -9.273 561 HE2 TYR 87 HE1 TYR 87 0.991 7.415 -5.202 562 HH TYR 87 HH TYR 87 1.913 7.942 -8.391 563 H GLY 88 H GLY 88 -6.151 9.626 -5.490 564 HA2 GLY 88 HA2 GLY 88 -7.647 7.942 -3.801 565 HA3 GLY 88 HA3 GLY 88 -8.139 9.536 -4.346 566 H ASN 89 H ASN 89 -7.751 8.091 -7.178 567 HA ASN 89 HA ASN 89 -10.535 7.324 -7.366 568 HB2 ASN 89 HB2 ASN 89 -8.345 7.452 -9.448 569 HB3 ASN 89 HB3 ASN 89 -10.007 6.984 -9.797 570 HD21 ASN 89 HD22 ASN 89 -10.284 8.693 -11.209 571 HD22 ASN 89 HD21 ASN 89 -10.445 10.326 -10.664 572 H PHE 90 H PHE 90 -7.516 5.862 -6.936 573 HA PHE 90 HA PHE 90 -8.533 3.203 -7.682 574 HB2 PHE 90 HB2 PHE 90 -5.672 4.038 -7.141 575 HB3 PHE 90 HB3 PHE 90 -6.209 2.486 -7.770 576 HD1 PHE 90 HD2 PHE 90 -6.934 2.264 -10.075 577 HD2 PHE 90 HD1 PHE 90 -5.561 5.987 -8.542 578 HE1 PHE 90 HE2 PHE 90 -6.672 3.108 -12.370 579 HE2 PHE 90 HE1 PHE 90 -5.295 6.837 -10.834 580 HZ PHE 90 HZ PHE 90 -5.849 5.397 -12.752 581 H VAL 91 H VAL 91 -7.678 5.222 -5.072 582 HA VAL 91 HA VAL 91 -7.606 2.934 -3.224 583 HB VAL 91 HB VAL 91 -5.763 3.710 -2.096 584 HG11 VAL 91 HG11 VAL 91 -5.133 5.149 -4.655 585 HG12 VAL 91 HG12 VAL 91 -5.216 3.378 -4.569 586 HG13 VAL 91 HG13 VAL 91 -4.041 4.253 -3.584 587 HG21 VAL 91 HG21 VAL 91 -6.718 5.853 -1.483 588 HG22 VAL 91 HG22 VAL 91 -6.359 6.481 -3.092 589 HG23 VAL 91 HG23 VAL 91 -5.042 6.043 -2.002 590 H THR 92 H THR 92 -8.034 3.664 -0.916 591 HA THR 92 HA THR 92 -9.337 6.214 -0.532 592 HB THR 92 HB THR 92 -10.895 3.642 -0.045 593 HG1 THR 92 HG1 THR 92 -10.723 5.203 -2.235 594 HG21 THR 92 HG21 THR 92 -11.363 5.306 1.647 595 HG22 THR 92 HG22 THR 92 -12.745 5.141 0.559 596 HG23 THR 92 HG23 THR 92 -11.661 6.523 0.404 597 H TYR 93 H TYR 93 -9.315 6.821 1.684 598 HA TYR 93 HA TYR 93 -8.060 4.833 3.449 599 HB2 TYR 93 HB2 TYR 93 -6.942 7.069 3.204 600 HB3 TYR 93 HB3 TYR 93 -8.353 7.812 3.943 601 HD1 TYR 93 HD1 TYR 93 -7.368 4.539 5.161 602 HD2 TYR 93 HD2 TYR 93 -6.803 8.722 5.687 603 HE1 TYR 93 HE1 TYR 93 -6.363 4.119 7.363 604 HE2 TYR 93 HE2 TYR 93 -5.800 8.310 7.893 605 HH TYR 93 HH TYR 93 -4.891 5.161 8.947 606 H ASP 94 H ASP 94 -9.514 3.665 4.394 607 HA ASP 94 HA ASP 94 -11.722 4.750 5.888 608 HB2 ASP 94 HB2 ASP 94 -12.073 3.734 3.153 609 HB3 ASP 94 HB3 ASP 94 -13.088 2.909 4.330 610 HA PRO 95 HA PRO 95 -11.247 0.690 7.866 611 HB2 PRO 95 HB3 PRO 95 -13.888 0.150 8.415 612 HB3 PRO 95 HB2 PRO 95 -12.848 1.144 9.440 613 HG2 PRO 95 HG2 PRO 95 -14.862 1.993 7.397 614 HG3 PRO 95 HG3 PRO 95 -14.519 2.690 8.991 615 HD2 PRO 95 HD2 PRO 95 -13.612 3.824 6.730 616 HD3 PRO 95 HD3 PRO 95 -12.657 3.840 8.228 617 HA PRO 96 HA PRO 96 -12.180 -1.375 4.032 618 HB2 PRO 96 HB3 PRO 96 -10.254 -3.237 4.195 619 HB3 PRO 96 HB2 PRO 96 -9.885 -1.536 3.895 620 HG2 PRO 96 HG2 PRO 96 -9.553 -3.138 6.371 621 HG3 PRO 96 HG3 PRO 96 -8.606 -1.763 5.782 622 HD2 PRO 96 HD2 PRO 96 -10.647 -1.710 7.740 623 HD3 PRO 96 HD3 PRO 96 -9.863 -0.310 6.979 624 H LEU 97 H LEU 97 -11.828 -4.017 3.595 625 HA LEU 97 HA LEU 97 -14.162 -5.151 4.868 626 HB2 LEU 97 HB2 LEU 97 -12.313 -6.107 2.717 627 HB3 LEU 97 HB3 LEU 97 -13.670 -7.054 3.285 628 HG LEU 97 HG LEU 97 -14.349 -6.023 1.256 629 HD11 LEU 97 HD11 LEU 97 -16.228 -4.646 1.948 630 HD12 LEU 97 HD12 LEU 97 -15.503 -4.448 3.545 631 HD13 LEU 97 HD13 LEU 97 -16.032 -6.042 3.008 632 HD21 LEU 97 HD21 LEU 97 -12.672 -4.285 1.094 633 HD22 LEU 97 HD22 LEU 97 -13.431 -3.400 2.419 634 HD23 LEU 97 HD23 LEU 97 -14.285 -3.602 0.889 635 H THR 98 H THR 98 -11.535 -4.760 6.229 636 HA THR 98 HA THR 98 -10.253 -7.126 6.823 637 HB THR 98 HB THR 98 -9.383 -5.007 7.624 638 HG1 THR 98 HG1 THR 98 -9.979 -6.227 10.076 639 HG21 THR 98 HG21 THR 98 -11.484 -3.863 8.098 640 HG22 THR 98 HG22 THR 98 -10.404 -3.799 9.491 641 HG23 THR 98 HG23 THR 98 -11.762 -4.924 9.478 642 HA PRO 99 HA PRO 99 -13.521 -9.514 8.657 643 HB2 PRO 99 HB3 PRO 99 -11.941 -11.506 9.667 644 HB3 PRO 99 HB2 PRO 99 -12.429 -11.402 7.973 645 HG2 PRO 99 HG2 PRO 99 -9.857 -10.597 9.257 646 HG3 PRO 99 HG3 PRO 99 -10.132 -11.405 7.704 647 HD2 PRO 99 HD2 PRO 99 -9.577 -8.765 7.888 648 HD3 PRO 99 HD3 PRO 99 -10.626 -9.431 6.619 Start of MODEL 7 1 H THR 19 H1 THR 19 13.085 -10.379 -1.207 2 HA THR 19 HA THR 19 12.600 -9.054 -3.115 3 HB THR 19 HB THR 19 13.327 -11.864 -3.960 4 HG1 THR 19 HG1 THR 19 15.376 -11.416 -3.260 5 HG21 THR 19 HG21 THR 19 14.703 -10.721 -5.654 6 HG22 THR 19 HG22 THR 19 14.085 -9.165 -5.097 7 HG23 THR 19 HG23 THR 19 12.992 -10.337 -5.837 8 H ILE 20 H ILE 20 10.353 -8.621 -3.294 9 HA ILE 20 HA ILE 20 8.761 -10.499 -4.853 10 HB ILE 20 HB ILE 20 7.723 -9.413 -2.905 11 HG12 ILE 20 HG12 ILE 20 6.449 -10.014 -5.085 12 HG13 ILE 20 HG13 ILE 20 5.631 -9.057 -3.858 13 HG21 ILE 20 HG21 ILE 20 8.038 -6.836 -4.421 14 HG22 ILE 20 HG22 ILE 20 8.942 -7.305 -2.982 15 HG23 ILE 20 HG23 ILE 20 7.199 -7.049 -2.885 16 HD11 ILE 20 HD11 ILE 20 5.173 -8.219 -6.087 17 HD12 ILE 20 HD12 ILE 20 6.902 -8.018 -6.381 18 HD13 ILE 20 HD13 ILE 20 6.094 -7.033 -5.157 19 H ASP 21 H ASP 21 10.378 -7.420 -5.125 20 HA ASP 21 HA ASP 21 10.260 -7.465 -7.993 21 HB2 ASP 21 HB2 ASP 21 8.009 -6.475 -7.171 22 HB3 ASP 21 HB3 ASP 21 8.960 -5.090 -6.647 23 H VAL 22 H VAL 22 10.734 -4.520 -8.106 24 HA VAL 22 HA VAL 22 13.463 -4.375 -7.274 25 HB VAL 22 HB VAL 22 12.556 -3.030 -9.150 26 HG11 VAL 22 HG11 VAL 22 11.150 -1.482 -7.032 27 HG12 VAL 22 HG12 VAL 22 10.386 -2.494 -8.246 28 HG13 VAL 22 HG13 VAL 22 11.248 -1.029 -8.726 29 HG21 VAL 22 HG21 VAL 22 14.624 -2.333 -8.061 30 HG22 VAL 22 HG22 VAL 22 13.687 -1.355 -6.926 31 HG23 VAL 22 HG23 VAL 22 13.703 -0.947 -8.642 32 H LEU 23 H LEU 23 10.504 -4.054 -5.740 33 HA LEU 23 HA LEU 23 11.194 -2.285 -3.615 34 HB2 LEU 23 HB2 LEU 23 9.091 -4.423 -3.464 35 HB3 LEU 23 HB3 LEU 23 9.097 -2.838 -2.715 36 HG LEU 23 HG LEU 23 8.760 -3.365 -5.669 37 HD11 LEU 23 HD11 LEU 23 6.762 -2.644 -3.538 38 HD12 LEU 23 HD12 LEU 23 6.818 -4.124 -4.492 39 HD13 LEU 23 HD13 LEU 23 6.439 -2.586 -5.270 40 HD21 LEU 23 HD21 LEU 23 9.774 -1.240 -5.415 41 HD22 LEU 23 HD22 LEU 23 8.745 -0.834 -4.044 42 HD23 LEU 23 HD23 LEU 23 8.053 -0.942 -5.661 43 H GLN 24 H GLN 24 13.246 -3.166 -2.968 44 HA GLN 24 HA GLN 24 13.212 -5.819 -1.789 45 HB2 GLN 24 HB2 GLN 24 15.443 -3.868 -2.317 46 HB3 GLN 24 HB3 GLN 24 15.675 -5.380 -1.446 47 HG2 GLN 24 HG2 GLN 24 14.646 -5.116 -4.262 48 HG3 GLN 24 HG3 GLN 24 16.284 -5.582 -3.801 49 HE21 GLN 24 HE22 GLN 24 16.659 -7.617 -2.983 50 HE22 GLN 24 HE21 GLN 24 15.490 -8.890 -3.061 51 H PHE 25 H PHE 25 12.608 -6.061 0.184 52 HA PHE 25 HA PHE 25 12.584 -3.895 2.102 53 HB2 PHE 25 HB2 PHE 25 11.848 -6.809 2.482 54 HB3 PHE 25 HB3 PHE 25 11.355 -5.449 3.494 55 HD1 PHE 25 HD1 PHE 25 10.015 -3.572 2.304 56 HD2 PHE 25 HD2 PHE 25 10.453 -7.526 0.793 57 HE1 PHE 25 HE1 PHE 25 7.987 -3.272 0.942 58 HE2 PHE 25 HE2 PHE 25 8.431 -7.232 -0.575 59 HZ PHE 25 HZ PHE 25 7.252 -5.062 -0.572 60 H LYS 26 H LYS 26 13.958 -3.516 3.583 61 HA LYS 26 HA LYS 26 16.507 -4.510 3.740 62 HB2 LYS 26 HB2 LYS 26 16.371 -2.527 4.828 63 HB3 LYS 26 HB3 LYS 26 14.725 -2.813 5.341 64 HG2 LYS 26 HG2 LYS 26 16.540 -4.526 6.766 65 HG3 LYS 26 HG3 LYS 26 17.004 -2.825 6.922 66 HD2 LYS 26 HD2 LYS 26 14.215 -3.877 7.363 67 HD3 LYS 26 HD3 LYS 26 15.387 -3.612 8.664 68 HE2 LYS 26 HE2 LYS 26 14.210 -1.550 6.805 69 HE3 LYS 26 HE3 LYS 26 13.870 -1.741 8.522 70 HZ1 LYS 26 HZ1 LYS 26 15.446 0.072 8.003 71 HZ2 LYS 26 HZ2 LYS 26 16.552 -1.074 7.428 72 HZ3 LYS 26 HZ3 LYS 26 16.085 -1.088 9.061 73 H ASP 27 H ASP 27 13.632 -5.484 5.464 74 HA ASP 27 HA ASP 27 14.616 -8.144 5.758 75 HB2 ASP 27 HB2 ASP 27 14.324 -8.292 8.198 76 HB3 ASP 27 HB3 ASP 27 15.603 -7.159 7.783 77 H GLU 28 H GLU 28 12.670 -9.196 7.422 78 HA GLU 28 HA GLU 28 10.353 -8.914 5.810 79 HB2 GLU 28 HB2 GLU 28 9.271 -10.461 7.270 80 HB3 GLU 28 HB3 GLU 28 10.935 -10.985 7.093 81 HG2 GLU 28 HG2 GLU 28 9.994 -9.369 9.441 82 HG3 GLU 28 HG3 GLU 28 9.910 -11.125 9.402 83 H ALA 29 H ALA 29 11.498 -7.270 8.623 84 HA ALA 29 HA ALA 29 9.058 -6.236 9.602 85 HB1 ALA 29 HB1 ALA 29 10.325 -4.802 10.930 86 HB2 ALA 29 HB2 ALA 29 11.635 -4.728 9.746 87 HB3 ALA 29 HB3 ALA 29 11.386 -6.197 10.701 88 H GLN 30 H GLN 30 11.409 -4.996 7.241 89 HA GLN 30 HA GLN 30 10.108 -2.560 6.726 90 HB2 GLN 30 HB2 GLN 30 12.428 -3.348 5.827 91 HB3 GLN 30 HB3 GLN 30 11.493 -4.117 4.555 92 HG2 GLN 30 HG2 GLN 30 10.773 -2.140 3.676 93 HG3 GLN 30 HG3 GLN 30 11.013 -1.261 5.183 94 HE21 GLN 30 HE22 GLN 30 12.939 -0.324 5.598 95 HE22 GLN 30 HE21 GLN 30 14.246 -0.274 4.459 96 H GLU 31 H GLU 31 9.631 -5.797 5.505 97 HA GLU 31 HA GLU 31 7.628 -5.069 3.599 98 HB2 GLU 31 HB2 GLU 31 9.040 -7.076 3.370 99 HB3 GLU 31 HB3 GLU 31 8.289 -7.761 4.798 100 HG2 GLU 31 HG2 GLU 31 6.127 -7.763 3.648 101 HG3 GLU 31 HG3 GLU 31 6.901 -7.096 2.213 102 H GLN 32 H GLN 32 7.641 -5.669 6.993 103 HA GLN 32 HA GLN 32 4.833 -6.232 7.268 104 HB2 GLN 32 HB2 GLN 32 6.835 -5.159 9.286 105 HB3 GLN 32 HB3 GLN 32 5.220 -5.739 9.675 106 HG2 GLN 32 HG2 GLN 32 5.832 -7.974 8.936 107 HG3 GLN 32 HG3 GLN 32 7.439 -7.391 8.495 108 HE21 GLN 32 HE22 GLN 32 5.791 -6.242 11.344 109 HE22 GLN 32 HE21 GLN 32 6.828 -7.034 12.486 110 H GLN 33 H GLN 33 6.886 -3.338 7.423 111 HA GLN 33 HA GLN 33 4.845 -1.467 7.966 112 HB2 GLN 33 HB2 GLN 33 7.259 -0.890 7.917 113 HB3 GLN 33 HB3 GLN 33 7.258 -1.097 6.176 114 HG2 GLN 33 HG2 GLN 33 5.632 0.729 5.975 115 HG3 GLN 33 HG3 GLN 33 5.687 0.944 7.729 116 HE21 GLN 33 HE22 GLN 33 8.565 0.325 7.801 117 HE22 GLN 33 HE21 GLN 33 9.368 1.740 7.204 118 H PHE 34 H PHE 34 6.133 -2.786 4.997 119 HA PHE 34 HA PHE 34 4.465 -1.577 3.127 120 HB2 PHE 34 HB2 PHE 34 6.517 -2.933 2.684 121 HB3 PHE 34 HB3 PHE 34 5.612 -4.380 3.093 122 HD1 PHE 34 HD1 PHE 34 5.291 -1.435 0.828 123 HD2 PHE 34 HD2 PHE 34 4.851 -5.630 1.359 124 HE1 PHE 34 HE1 PHE 34 4.656 -1.664 -1.536 125 HE2 PHE 34 HE2 PHE 34 4.208 -5.866 -1.000 126 HZ PHE 34 HZ PHE 34 4.113 -3.882 -2.452 127 H ARG 35 H ARG 35 4.009 -4.374 5.195 128 HA ARG 35 HA ARG 35 1.576 -5.352 4.190 129 HB2 ARG 35 HB2 ARG 35 3.284 -5.769 6.450 130 HB3 ARG 35 HB3 ARG 35 1.633 -5.620 7.020 131 HG2 ARG 35 HG2 ARG 35 2.213 -7.918 6.644 132 HG3 ARG 35 HG3 ARG 35 0.950 -7.412 5.517 133 HD2 ARG 35 HD2 ARG 35 3.259 -6.865 4.149 134 HD3 ARG 35 HD3 ARG 35 3.667 -8.342 5.019 135 HE ARG 35 HE ARG 35 1.108 -8.466 3.701 136 HH11 ARG 35 HH11 ARG 35 4.557 -8.958 3.309 137 HH12 ARG 35 HH12 ARG 35 4.374 -10.096 2.011 138 HH21 ARG 35 HH22 ARG 35 0.867 -9.948 1.994 139 HH22 ARG 35 HH21 ARG 35 2.279 -10.642 1.242 140 H GLN 36 H GLN 36 2.235 -3.089 6.850 141 HA GLN 36 HA GLN 36 -0.499 -2.703 7.524 142 HB2 GLN 36 HB2 GLN 36 1.925 -1.021 8.204 143 HB3 GLN 36 HB3 GLN 36 0.345 -0.892 8.967 144 HG2 GLN 36 HG2 GLN 36 0.544 -3.008 9.980 145 HG3 GLN 36 HG3 GLN 36 1.945 -3.429 8.993 146 HE21 GLN 36 HE22 GLN 36 3.939 -2.602 9.501 147 HE22 GLN 36 HE21 GLN 36 4.281 -1.836 11.017 148 H LEU 37 H LEU 37 1.822 -0.880 5.636 149 HA LEU 37 HA LEU 37 0.235 1.415 5.293 150 HB2 LEU 37 HB2 LEU 37 2.511 0.340 3.624 151 HB3 LEU 37 HB3 LEU 37 1.812 1.941 3.437 152 HG LEU 37 HG LEU 37 3.327 0.871 5.815 153 HD11 LEU 37 HD11 LEU 37 4.810 1.487 4.071 154 HD12 LEU 37 HD12 LEU 37 4.838 2.784 5.269 155 HD13 LEU 37 HD13 LEU 37 3.932 2.988 3.768 156 HD21 LEU 37 HD21 LEU 37 3.079 3.249 6.657 157 HD22 LEU 37 HD22 LEU 37 1.660 2.208 6.775 158 HD23 LEU 37 HD23 LEU 37 1.766 3.416 5.491 159 H THR 38 H THR 38 0.139 -1.683 3.739 160 HA THR 38 HA THR 38 -1.578 -0.587 1.626 161 HB THR 38 HB THR 38 -1.430 -2.904 0.643 162 HG1 THR 38 HG1 THR 38 0.724 -3.163 2.500 163 HG21 THR 38 HG21 THR 38 0.924 -1.082 0.953 164 HG22 THR 38 HG22 THR 38 -0.165 -1.259 -0.419 165 HG23 THR 38 HG23 THR 38 1.015 -2.520 -0.059 166 H GLU 39 H GLU 39 -1.756 -2.388 4.582 167 HA GLU 39 HA GLU 39 -4.333 -3.522 3.817 168 HB2 GLU 39 HB2 GLU 39 -2.548 -4.017 6.190 169 HB3 GLU 39 HB3 GLU 39 -4.173 -4.680 6.061 170 HG2 GLU 39 HG2 GLU 39 -3.516 -5.760 3.932 171 HG3 GLU 39 HG3 GLU 39 -1.868 -5.186 4.189 172 H GLU 40 H GLU 40 -3.224 -0.730 5.333 173 HA GLU 40 HA GLU 40 -5.785 -0.387 6.718 174 HB2 GLU 40 HB2 GLU 40 -3.619 0.323 7.827 175 HB3 GLU 40 HB3 GLU 40 -3.492 1.586 6.609 176 HG2 GLU 40 HG2 GLU 40 -5.474 2.642 7.381 177 HG3 GLU 40 HG3 GLU 40 -5.862 1.283 8.431 178 H LEU 41 H LEU 41 -5.013 -0.460 3.753 179 HA LEU 41 HA LEU 41 -6.154 2.101 2.918 180 HB2 LEU 41 HB2 LEU 41 -4.078 1.613 1.840 181 HB3 LEU 41 HB3 LEU 41 -4.589 -0.010 1.438 182 HG LEU 41 HG LEU 41 -6.137 0.812 -0.206 183 HD11 LEU 41 HD11 LEU 41 -6.971 2.771 0.851 184 HD12 LEU 41 HD12 LEU 41 -6.251 3.255 -0.693 185 HD13 LEU 41 HD13 LEU 41 -5.378 3.538 0.816 186 HD21 LEU 41 HD21 LEU 41 -3.961 0.529 -1.072 187 HD22 LEU 41 HD22 LEU 41 -3.397 2.030 -0.338 188 HD23 LEU 41 HD23 LEU 41 -4.531 2.081 -1.686 189 H ARG 42 H ARG 42 -8.108 2.221 1.998 190 HA ARG 42 HA ARG 42 -9.744 -0.172 1.972 191 HB2 ARG 42 HB2 ARG 42 -10.357 2.284 2.781 192 HB3 ARG 42 HB3 ARG 42 -10.734 2.505 1.084 193 HG2 ARG 42 HG2 ARG 42 -12.175 0.356 1.401 194 HG3 ARG 42 HG3 ARG 42 -12.082 0.792 3.111 195 HD2 ARG 42 HD2 ARG 42 -12.839 3.105 2.421 196 HD3 ARG 42 HD3 ARG 42 -13.204 2.416 0.842 197 HE ARG 42 HE ARG 42 -14.422 1.180 3.195 198 HH11 ARG 42 HH11 ARG 42 -14.754 3.153 0.329 199 HH12 ARG 42 HH12 ARG 42 -16.490 3.136 0.347 200 HH21 ARG 42 HH22 ARG 42 -16.714 1.192 3.265 201 HH22 ARG 42 HH21 ARG 42 -17.603 2.046 2.040 202 H CYS 43 H CYS 43 -9.486 -1.404 0.168 203 HA CYS 43 HA CYS 43 -9.604 -0.007 -2.416 204 HB2 CYS 43 HB2 CYS 43 -7.615 -1.419 -2.144 205 HB3 CYS 43 HB3 CYS 43 -8.625 -2.816 -1.809 206 HG CYS 43 HG CYS 43 -8.674 -1.131 -4.786 207 HA PRO 44 HA PRO 44 -13.794 -1.373 -2.555 208 HB2 PRO 44 HB3 PRO 44 -13.811 -0.601 -5.369 209 HB3 PRO 44 HB2 PRO 44 -14.632 0.155 -3.999 210 HG2 PRO 44 HG2 PRO 44 -12.558 1.332 -5.280 211 HG3 PRO 44 HG3 PRO 44 -12.864 1.562 -3.549 212 HD2 PRO 44 HD2 PRO 44 -10.887 -0.241 -4.900 213 HD3 PRO 44 HD3 PRO 44 -10.676 0.796 -3.471 214 H LYS 45 H LYS 45 -12.144 -3.556 -2.776 215 HA LYS 45 HA LYS 45 -13.117 -4.983 -5.151 216 HB2 LYS 45 HB2 LYS 45 -10.724 -5.153 -4.744 217 HB3 LYS 45 HB3 LYS 45 -11.022 -5.750 -3.119 218 HG2 LYS 45 HG2 LYS 45 -10.425 -7.559 -4.611 219 HG3 LYS 45 HG3 LYS 45 -12.077 -7.749 -4.035 220 HD2 LYS 45 HD2 LYS 45 -12.854 -6.703 -6.162 221 HD3 LYS 45 HD3 LYS 45 -11.184 -6.743 -6.732 222 HE2 LYS 45 HE2 LYS 45 -12.816 -9.136 -5.886 223 HE3 LYS 45 HE3 LYS 45 -12.483 -8.661 -7.554 224 HZ1 LYS 45 HZ1 LYS 45 -10.984 -10.389 -6.893 225 HZ2 LYS 45 HZ2 LYS 45 -10.484 -9.515 -5.527 226 HZ3 LYS 45 HZ3 LYS 45 -10.103 -8.955 -7.083 227 H CYS 46 H CYS 46 -13.471 -4.750 -1.725 228 HA CYS 46 HA CYS 46 -14.911 -5.682 -0.238 229 HB2 CYS 46 HB2 CYS 46 -16.175 -6.941 -2.668 230 HB3 CYS 46 HB3 CYS 46 -16.837 -7.011 -1.038 231 HG CYS 46 HG CYS 46 -16.348 -4.087 -2.762 232 H GLN 47 H GLN 47 -14.209 -8.129 -2.707 233 HA GLN 47 HA GLN 47 -14.068 -10.298 -0.892 234 HB2 GLN 47 HB2 GLN 47 -12.744 -10.093 -3.592 235 HB3 GLN 47 HB3 GLN 47 -13.259 -11.559 -2.762 236 HG2 GLN 47 HG2 GLN 47 -15.161 -9.409 -3.650 237 HG3 GLN 47 HG3 GLN 47 -14.712 -10.781 -4.663 238 HE21 GLN 47 HE22 GLN 47 -15.185 -10.976 -1.175 239 HE22 GLN 47 HE21 GLN 47 -16.626 -11.933 -1.243 240 H ASN 48 H ASN 48 -11.711 -8.100 -2.265 241 HA ASN 48 HA ASN 48 -9.732 -9.076 -0.324 242 HB2 ASN 48 HB2 ASN 48 -9.191 -7.487 -2.836 243 HB3 ASN 48 HB3 ASN 48 -7.986 -8.158 -1.747 244 HD21 ASN 48 HD22 ASN 48 -7.576 -10.383 -1.775 245 HD22 ASN 48 HD21 ASN 48 -8.111 -11.386 -3.086 246 H ASN 49 H ASN 49 -9.476 -7.762 1.352 247 HA ASN 49 HA ASN 49 -10.898 -5.279 1.445 248 HB2 ASN 49 HB2 ASN 49 -8.950 -6.387 3.476 249 HB3 ASN 49 HB3 ASN 49 -10.178 -5.158 3.752 250 HD21 ASN 49 HD22 ASN 49 -12.338 -5.782 3.916 251 HD22 ASN 49 HD21 ASN 49 -12.796 -7.428 4.196 252 H SER 50 H SER 50 -7.601 -6.258 0.964 253 HA SER 50 HA SER 50 -6.810 -3.431 0.805 254 HB2 SER 50 HB2 SER 50 -4.606 -4.162 1.826 255 HB3 SER 50 HB3 SER 50 -5.988 -4.165 2.922 256 HG SER 50 HG SER 50 -6.042 -6.531 1.936 257 H ILE 51 H ILE 51 -4.781 -3.115 -0.399 258 HA ILE 51 HA ILE 51 -4.877 -4.564 -2.892 259 HB ILE 51 HB ILE 51 -3.169 -2.983 -3.646 260 HG12 ILE 51 HG12 ILE 51 -3.261 -1.836 -0.839 261 HG13 ILE 51 HG13 ILE 51 -1.955 -2.838 -1.463 262 HG21 ILE 51 HG21 ILE 51 -5.500 -2.329 -3.775 263 HG22 ILE 51 HG22 ILE 51 -4.494 -0.925 -3.413 264 HG23 ILE 51 HG23 ILE 51 -5.432 -1.692 -2.132 265 HD11 ILE 51 HD11 ILE 51 -2.784 -0.171 -2.577 266 HD12 ILE 51 HD12 ILE 51 -1.437 -1.165 -3.129 267 HD13 ILE 51 HD13 ILE 51 -1.408 -0.464 -1.512 268 H ALA 52 H ALA 52 -3.790 -5.782 -0.284 269 HA ALA 52 HA ALA 52 -0.986 -6.205 -0.875 270 HB1 ALA 52 HB1 ALA 52 -2.681 -7.365 1.332 271 HB2 ALA 52 HB2 ALA 52 -1.740 -5.877 1.438 272 HB3 ALA 52 HB3 ALA 52 -0.924 -7.424 1.220 273 H ASP 53 H ASP 53 -3.997 -8.004 -1.012 274 HA ASP 53 HA ASP 53 -2.538 -10.234 -2.263 275 HB2 ASP 53 HB2 ASP 53 -4.362 -11.722 -1.352 276 HB3 ASP 53 HB3 ASP 53 -3.284 -11.034 -0.140 277 H SER 54 H SER 54 -4.056 -7.790 -3.242 278 HA SER 54 HA SER 54 -6.192 -8.985 -4.787 279 HB2 SER 54 HB2 SER 54 -6.290 -6.612 -5.754 280 HB3 SER 54 HB3 SER 54 -6.661 -6.787 -4.038 281 HG SER 54 HG SER 54 -4.035 -6.245 -4.909 282 H ASN 55 H ASN 55 -6.137 -9.428 -6.941 283 HA ASN 55 HA ASN 55 -3.518 -9.880 -8.069 284 HB2 ASN 55 HB2 ASN 55 -6.289 -10.514 -9.077 285 HB3 ASN 55 HB3 ASN 55 -4.806 -11.005 -9.892 286 HD21 ASN 55 HD22 ASN 55 -3.572 -12.648 -9.031 287 HD22 ASN 55 HD21 ASN 55 -4.135 -13.661 -7.743 288 H SER 56 H SER 56 -5.169 -7.172 -7.951 289 HA SER 56 HA SER 56 -5.317 -6.369 -10.676 290 HB2 SER 56 HB2 SER 56 -6.711 -5.275 -9.032 291 HB3 SER 56 HB3 SER 56 -5.295 -4.733 -8.136 292 HG SER 56 HG SER 56 -6.469 -3.688 -10.398 293 H MET 57 H MET 57 -3.862 -5.487 -11.940 294 HA MET 57 HA MET 57 -1.110 -5.398 -11.353 295 HB2 MET 57 HB2 MET 57 -2.238 -3.641 -13.482 296 HB3 MET 57 HB3 MET 57 -0.827 -4.685 -13.532 297 HG2 MET 57 HG2 MET 57 -2.007 -6.188 -14.618 298 HG3 MET 57 HG3 MET 57 -3.076 -6.341 -13.223 299 HE1 MET 57 HE1 MET 57 -5.896 -3.783 -14.012 300 HE2 MET 57 HE2 MET 57 -4.569 -3.856 -12.847 301 HE3 MET 57 HE3 MET 57 -5.578 -5.278 -13.136 302 H ILE 58 H ILE 58 -3.703 -3.091 -11.193 303 HA ILE 58 HA ILE 58 -1.986 -0.820 -10.837 304 HB ILE 58 HB ILE 58 -3.807 0.445 -11.219 305 HG12 ILE 58 HG12 ILE 58 -6.152 -0.286 -10.295 306 HG13 ILE 58 HG13 ILE 58 -5.197 -1.316 -9.234 307 HG21 ILE 58 HG21 ILE 58 -4.856 -2.285 -11.935 308 HG22 ILE 58 HG22 ILE 58 -4.038 -1.118 -12.982 309 HG23 ILE 58 HG23 ILE 58 -5.665 -0.780 -12.390 310 HD11 ILE 58 HD11 ILE 58 -5.291 1.670 -9.398 311 HD12 ILE 58 HD12 ILE 58 -3.901 0.834 -8.698 312 HD13 ILE 58 HD13 ILE 58 -5.509 0.621 -7.994 313 H ALA 59 H ALA 59 -3.792 -3.041 -8.785 314 HA ALA 59 HA ALA 59 -3.380 -1.825 -6.289 315 HB1 ALA 59 HB1 ALA 59 -3.431 -4.725 -7.108 316 HB2 ALA 59 HB2 ALA 59 -4.705 -3.795 -6.320 317 HB3 ALA 59 HB3 ALA 59 -3.242 -4.215 -5.432 318 H THR 60 H THR 60 -1.287 -3.826 -8.306 319 HA THR 60 HA THR 60 0.956 -3.902 -6.592 320 HB THR 60 HB THR 60 0.829 -4.102 -9.607 321 HG1 THR 60 HG1 THR 60 -0.412 -5.697 -8.473 322 HG21 THR 60 HG21 THR 60 3.076 -3.613 -8.761 323 HG22 THR 60 HG22 THR 60 2.973 -5.238 -9.443 324 HG23 THR 60 HG23 THR 60 2.978 -5.013 -7.692 325 H ASP 61 H ASP 61 0.015 -1.737 -9.218 326 HA ASP 61 HA ASP 61 2.123 0.021 -9.356 327 HB2 ASP 61 HB2 ASP 61 -0.047 0.084 -10.687 328 HB3 ASP 61 HB3 ASP 61 -0.784 0.856 -9.298 329 H LEU 62 H LEU 62 -0.634 0.112 -7.153 330 HA LEU 62 HA LEU 62 0.134 2.387 -5.681 331 HB2 LEU 62 HB2 LEU 62 -1.563 0.057 -4.789 332 HB3 LEU 62 HB3 LEU 62 -1.548 1.654 -4.074 333 HG LEU 62 HG LEU 62 -2.500 0.987 -6.857 334 HD11 LEU 62 HD11 LEU 62 -3.920 0.205 -4.951 335 HD12 LEU 62 HD12 LEU 62 -4.700 1.355 -6.036 336 HD13 LEU 62 HD13 LEU 62 -4.092 1.894 -4.470 337 HD21 LEU 62 HD21 LEU 62 -3.241 3.297 -6.949 338 HD22 LEU 62 HD22 LEU 62 -1.499 3.221 -6.688 339 HD23 LEU 62 HD23 LEU 62 -2.576 3.594 -5.342 340 H ARG 63 H ARG 63 0.795 -1.044 -5.288 341 HA ARG 63 HA ARG 63 1.874 -1.048 -2.714 342 HB2 ARG 63 HB2 ARG 63 2.586 -2.759 -5.100 343 HB3 ARG 63 HB3 ARG 63 3.117 -3.087 -3.461 344 HG2 ARG 63 HG2 ARG 63 0.206 -2.792 -4.005 345 HG3 ARG 63 HG3 ARG 63 1.026 -4.285 -4.465 346 HD2 ARG 63 HD2 ARG 63 1.619 -3.299 -1.765 347 HD3 ARG 63 HD3 ARG 63 -0.045 -3.816 -2.019 348 HE ARG 63 HE ARG 63 1.647 -5.776 -3.067 349 HH11 ARG 63 HH11 ARG 63 0.822 -4.425 0.058 350 HH12 ARG 63 HH12 ARG 63 1.140 -5.892 0.919 351 HH21 ARG 63 HH22 ARG 63 2.036 -7.723 -1.940 352 HH22 ARG 63 HH21 ARG 63 1.829 -7.777 -0.222 353 H GLN 64 H GLN 64 3.385 -0.339 -5.830 354 HA GLN 64 HA GLN 64 6.029 -0.153 -4.814 355 HB2 GLN 64 HB2 GLN 64 4.849 1.043 -7.316 356 HB3 GLN 64 HB3 GLN 64 6.566 0.928 -6.958 357 HG2 GLN 64 HG2 GLN 64 6.325 -1.537 -6.863 358 HG3 GLN 64 HG3 GLN 64 4.652 -1.356 -7.381 359 HE21 GLN 64 HE22 GLN 64 7.272 0.647 -8.545 360 HE22 GLN 64 HE21 GLN 64 7.277 0.027 -10.160 361 H LYS 65 H LYS 65 3.445 2.206 -5.281 362 HA LYS 65 HA LYS 65 4.887 4.533 -4.721 363 HB2 LYS 65 HB2 LYS 65 2.612 4.687 -5.489 364 HB3 LYS 65 HB3 LYS 65 2.023 3.834 -4.067 365 HG2 LYS 65 HG2 LYS 65 1.545 6.023 -3.502 366 HG3 LYS 65 HG3 LYS 65 3.134 5.795 -2.784 367 HD2 LYS 65 HD2 LYS 65 3.055 6.818 -5.561 368 HD3 LYS 65 HD3 LYS 65 2.584 7.918 -4.258 369 HE2 LYS 65 HE2 LYS 65 4.667 7.434 -3.102 370 HE3 LYS 65 HE3 LYS 65 5.131 6.341 -4.398 371 HZ1 LYS 65 HZ1 LYS 65 5.535 8.078 -5.831 372 HZ2 LYS 65 HZ2 LYS 65 6.016 8.761 -4.354 373 HZ3 LYS 65 HZ3 LYS 65 4.501 9.145 -5.022 374 H VAL 66 H VAL 66 3.195 2.331 -2.543 375 HA VAL 66 HA VAL 66 3.687 3.518 -0.096 376 HB VAL 66 HB VAL 66 3.521 0.602 -0.845 377 HG11 VAL 66 HG11 VAL 66 4.757 1.111 1.325 378 HG12 VAL 66 HG12 VAL 66 3.387 0.003 1.413 379 HG13 VAL 66 HG13 VAL 66 3.205 1.678 1.937 380 HG21 VAL 66 HG21 VAL 66 1.257 0.775 0.014 381 HG22 VAL 66 HG22 VAL 66 1.521 1.969 -1.255 382 HG23 VAL 66 HG23 VAL 66 1.526 2.464 0.437 383 H TYR 67 H TYR 67 5.835 1.353 -1.939 384 HA TYR 67 HA TYR 67 7.842 1.300 0.085 385 HB2 TYR 67 HB2 TYR 67 7.658 -0.457 -1.639 386 HB3 TYR 67 HB3 TYR 67 8.118 0.715 -2.868 387 HD1 TYR 67 HD1 TYR 67 9.356 -0.832 0.294 388 HD2 TYR 67 HD2 TYR 67 10.367 0.985 -3.420 389 HE1 TYR 67 HE1 TYR 67 11.723 -1.368 0.680 390 HE2 TYR 67 HE2 TYR 67 12.738 0.452 -3.042 391 HH TYR 67 HH TYR 67 14.257 -0.074 -1.268 392 H GLU 68 H GLU 68 7.380 3.232 -2.861 393 HA GLU 68 HA GLU 68 9.773 4.704 -2.698 394 HB2 GLU 68 HB2 GLU 68 7.109 5.678 -3.750 395 HB3 GLU 68 HB3 GLU 68 8.693 6.331 -4.149 396 HG2 GLU 68 HG2 GLU 68 9.262 4.099 -5.123 397 HG3 GLU 68 HG3 GLU 68 7.580 3.640 -4.889 398 H LEU 69 H LEU 69 6.588 5.256 -1.298 399 HA LEU 69 HA LEU 69 7.005 7.788 -0.183 400 HB2 LEU 69 HB2 LEU 69 5.260 5.495 0.695 401 HB3 LEU 69 HB3 LEU 69 5.156 7.115 1.358 402 HG LEU 69 HG LEU 69 4.852 6.608 -1.585 403 HD11 LEU 69 HD11 LEU 69 2.656 6.613 0.463 404 HD12 LEU 69 HD12 LEU 69 3.208 5.216 -0.440 405 HD13 LEU 69 HD13 LEU 69 2.445 6.566 -1.278 406 HD21 LEU 69 HD21 LEU 69 3.736 8.731 -1.561 407 HD22 LEU 69 HD22 LEU 69 5.304 8.894 -0.765 408 HD23 LEU 69 HD23 LEU 69 3.827 8.800 0.201 409 H MET 70 H MET 70 7.872 4.597 1.031 410 HA MET 70 HA MET 70 8.535 5.274 3.666 411 HB2 MET 70 HB2 MET 70 9.856 3.243 1.848 412 HB3 MET 70 HB3 MET 70 10.066 3.328 3.591 413 HG2 MET 70 HG2 MET 70 7.752 2.791 3.943 414 HG3 MET 70 HG3 MET 70 7.437 2.838 2.209 415 HE1 MET 70 HE1 MET 70 7.036 -0.932 2.782 416 HE2 MET 70 HE2 MET 70 6.308 0.591 2.267 417 HE3 MET 70 HE3 MET 70 6.589 0.282 3.981 418 H GLN 71 H GLN 71 10.514 5.284 0.723 419 HA GLN 71 HA GLN 71 12.779 6.406 2.113 420 HB2 GLN 71 HB2 GLN 71 13.673 6.534 -0.328 421 HB3 GLN 71 HB3 GLN 71 13.497 4.969 0.455 422 HG2 GLN 71 HG2 GLN 71 11.376 4.628 -0.690 423 HG3 GLN 71 HG3 GLN 71 11.536 6.201 -1.465 424 HE21 GLN 71 HE22 GLN 71 11.344 3.493 -2.590 425 HE22 GLN 71 HE21 GLN 71 12.737 3.313 -3.605 426 H GLU 72 H GLU 72 10.030 7.622 0.437 427 HA GLU 72 HA GLU 72 11.034 10.226 -0.121 428 HB2 GLU 72 HB2 GLU 72 8.220 9.296 0.476 429 HB3 GLU 72 HB3 GLU 72 8.625 10.929 -0.028 430 HG2 GLU 72 HG2 GLU 72 9.551 10.002 -2.127 431 HG3 GLU 72 HG3 GLU 72 9.001 8.409 -1.612 432 H GLY 73 H GLY 73 9.952 8.594 2.725 433 HA2 GLY 73 HA2 GLY 73 10.648 9.266 4.883 434 HA3 GLY 73 HA3 GLY 73 10.768 10.924 4.307 435 H LYS 74 H LYS 74 7.988 9.082 3.435 436 HA LYS 74 HA LYS 74 6.252 10.924 4.764 437 HB2 LYS 74 HB2 LYS 74 5.480 8.254 3.596 438 HB3 LYS 74 HB3 LYS 74 4.452 9.650 3.844 439 HG2 LYS 74 HG2 LYS 74 6.786 9.669 1.950 440 HG3 LYS 74 HG3 LYS 74 5.152 9.201 1.475 441 HD2 LYS 74 HD2 LYS 74 4.522 11.325 1.301 442 HD3 LYS 74 HD3 LYS 74 5.111 11.690 2.924 443 HE2 LYS 74 HE2 LYS 74 7.002 11.414 0.631 444 HE3 LYS 74 HE3 LYS 74 6.146 12.936 0.904 445 HZ1 LYS 74 HZ1 LYS 74 8.244 13.054 1.996 446 HZ2 LYS 74 HZ2 LYS 74 8.014 11.560 2.755 447 HZ3 LYS 74 HZ3 LYS 74 7.069 12.888 3.205 448 H SER 75 H SER 75 4.626 10.257 6.322 449 HA SER 75 HA SER 75 5.686 8.413 8.316 450 HB2 SER 75 HB2 SER 75 3.287 10.257 8.468 451 HB3 SER 75 HB3 SER 75 4.030 9.391 9.813 452 HG SER 75 HG SER 75 6.009 10.687 8.812 453 H LYS 76 H LYS 76 3.994 6.970 9.400 454 HA LYS 76 HA LYS 76 3.089 5.104 7.575 455 HB2 LYS 76 HB2 LYS 76 2.618 5.625 10.431 456 HB3 LYS 76 HB3 LYS 76 1.432 4.602 9.635 457 HG2 LYS 76 HG2 LYS 76 3.172 3.274 10.662 458 HG3 LYS 76 HG3 LYS 76 3.201 3.086 8.918 459 HD2 LYS 76 HD2 LYS 76 4.976 5.125 10.172 460 HD3 LYS 76 HD3 LYS 76 5.419 3.423 10.304 461 HE2 LYS 76 HE2 LYS 76 5.193 3.271 7.817 462 HE3 LYS 76 HE3 LYS 76 4.982 5.019 7.788 463 HZ1 LYS 76 HZ1 LYS 76 7.354 3.728 9.006 464 HZ2 LYS 76 HZ2 LYS 76 7.154 5.360 8.580 465 HZ3 LYS 76 HZ3 LYS 76 7.301 4.175 7.372 466 H LYS 77 H LYS 77 0.983 7.412 9.319 467 HA LYS 77 HA LYS 77 -1.301 6.795 7.709 468 HB2 LYS 77 HB2 LYS 77 -0.837 9.337 9.274 469 HB3 LYS 77 HB3 LYS 77 -2.381 8.618 8.825 470 HG2 LYS 77 HG2 LYS 77 -0.375 7.564 10.790 471 HG3 LYS 77 HG3 LYS 77 -1.992 8.188 11.139 472 HD2 LYS 77 HD2 LYS 77 -2.956 6.329 9.826 473 HD3 LYS 77 HD3 LYS 77 -1.327 5.702 9.561 474 HE2 LYS 77 HE2 LYS 77 -1.066 5.484 12.018 475 HE3 LYS 77 HE3 LYS 77 -2.743 5.997 12.209 476 HZ1 LYS 77 HZ1 LYS 77 -2.781 3.670 12.276 477 HZ2 LYS 77 HZ2 LYS 77 -1.728 3.514 10.959 478 HZ3 LYS 77 HZ3 LYS 77 -3.309 4.054 10.711 479 H GLU 78 H GLU 78 1.279 9.101 7.531 480 HA GLU 78 HA GLU 78 0.278 10.789 5.529 481 HB2 GLU 78 HB2 GLU 78 2.258 11.352 6.810 482 HB3 GLU 78 HB3 GLU 78 3.129 9.981 6.145 483 HG2 GLU 78 HG2 GLU 78 3.924 11.886 5.028 484 HG3 GLU 78 HG3 GLU 78 2.867 11.052 3.888 485 H ILE 79 H ILE 79 2.044 7.703 5.276 486 HA ILE 79 HA ILE 79 2.357 7.683 2.495 487 HB ILE 79 HB ILE 79 2.306 5.560 4.578 488 HG12 ILE 79 HG12 ILE 79 4.319 5.007 2.789 489 HG13 ILE 79 HG13 ILE 79 4.192 6.757 2.679 490 HG21 ILE 79 HG21 ILE 79 1.388 5.111 1.836 491 HG22 ILE 79 HG22 ILE 79 1.189 4.114 3.281 492 HG23 ILE 79 HG23 ILE 79 2.688 4.033 2.355 493 HD11 ILE 79 HD11 ILE 79 4.547 5.248 5.255 494 HD12 ILE 79 HD12 ILE 79 4.639 6.993 5.014 495 HD13 ILE 79 HD13 ILE 79 5.866 5.943 4.311 496 H VAL 80 H VAL 80 -0.280 6.294 4.455 497 HA VAL 80 HA VAL 80 -1.760 5.449 2.192 498 HB VAL 80 HB VAL 80 -2.266 4.267 4.146 499 HG11 VAL 80 HG11 VAL 80 -2.798 6.888 5.513 500 HG12 VAL 80 HG12 VAL 80 -1.432 5.812 5.802 501 HG13 VAL 80 HG13 VAL 80 -3.065 5.297 6.227 502 HG21 VAL 80 HG21 VAL 80 -4.242 4.748 2.813 503 HG22 VAL 80 HG22 VAL 80 -4.507 6.214 3.756 504 HG23 VAL 80 HG23 VAL 80 -4.644 4.633 4.528 505 H ASP 81 H ASP 81 -1.717 8.394 4.076 506 HA ASP 81 HA ASP 81 -4.037 9.551 2.900 507 HB2 ASP 81 HB2 ASP 81 -3.163 10.403 4.998 508 HB3 ASP 81 HB3 ASP 81 -1.647 10.847 4.226 509 H TYR 82 H TYR 82 -0.624 9.575 2.106 510 HA TYR 82 HA TYR 82 -0.699 11.396 -0.042 511 HB2 TYR 82 HB2 TYR 82 1.353 10.321 1.130 512 HB3 TYR 82 HB3 TYR 82 1.086 8.964 0.047 513 HD1 TYR 82 HD2 TYR 82 1.220 9.355 -2.451 514 HD2 TYR 82 HD1 TYR 82 2.490 12.248 0.402 515 HE1 TYR 82 HE2 TYR 82 2.566 10.464 -4.182 516 HE2 TYR 82 HE1 TYR 82 3.842 13.365 -1.322 517 HH TYR 82 HH TYR 82 4.947 12.746 -3.474 518 H MET 83 H MET 83 -1.206 7.945 0.242 519 HA MET 83 HA MET 83 -1.603 7.279 -2.439 520 HB2 MET 83 HB2 MET 83 -2.890 6.111 0.037 521 HB3 MET 83 HB3 MET 83 -2.913 5.365 -1.554 522 HG2 MET 83 HG2 MET 83 -0.404 5.992 -0.028 523 HG3 MET 83 HG3 MET 83 -1.225 4.435 0.014 524 HE1 MET 83 HE1 MET 83 -0.940 3.283 -3.709 525 HE2 MET 83 HE2 MET 83 -2.248 4.243 -3.018 526 HE3 MET 83 HE3 MET 83 -1.562 2.903 -2.102 527 H VAL 84 H VAL 84 -4.016 8.110 0.052 528 HA VAL 84 HA VAL 84 -6.182 7.997 -1.776 529 HB VAL 84 HB VAL 84 -7.548 9.046 -0.009 530 HG11 VAL 84 HG11 VAL 84 -5.732 6.984 1.187 531 HG12 VAL 84 HG12 VAL 84 -6.916 6.607 -0.063 532 HG13 VAL 84 HG13 VAL 84 -7.448 7.236 1.497 533 HG21 VAL 84 HG21 VAL 84 -6.632 9.615 2.142 534 HG22 VAL 84 HG22 VAL 84 -5.809 10.568 0.914 535 HG23 VAL 84 HG23 VAL 84 -5.011 9.168 1.617 536 H ALA 85 H ALA 85 -4.044 10.575 -0.809 537 HA ALA 85 HA ALA 85 -5.598 12.718 -1.829 538 HB1 ALA 85 HB1 ALA 85 -3.338 13.910 -1.800 539 HB2 ALA 85 HB2 ALA 85 -2.695 12.409 -1.129 540 HB3 ALA 85 HB3 ALA 85 -3.953 13.296 -0.267 541 H ARG 86 H ARG 86 -3.074 10.669 -3.249 542 HA ARG 86 HA ARG 86 -3.244 12.190 -5.748 543 HB2 ARG 86 HB2 ARG 86 -1.258 10.302 -4.577 544 HB3 ARG 86 HB3 ARG 86 -1.340 10.443 -6.327 545 HG2 ARG 86 HG2 ARG 86 0.349 11.920 -5.544 546 HG3 ARG 86 HG3 ARG 86 -1.020 12.898 -6.078 547 HD2 ARG 86 HD2 ARG 86 -1.751 12.918 -3.644 548 HD3 ARG 86 HD3 ARG 86 -0.155 12.269 -3.267 549 HE ARG 86 HE ARG 86 -0.050 14.624 -4.907 550 HH11 ARG 86 HH11 ARG 86 -0.294 13.494 -1.592 551 HH12 ARG 86 HH12 ARG 86 0.346 14.960 -0.911 552 HH21 ARG 86 HH22 ARG 86 0.755 16.539 -4.026 553 HH22 ARG 86 HH21 ARG 86 0.951 16.704 -2.305 554 H TYR 87 H TYR 87 -3.750 8.927 -4.517 555 HA TYR 87 HA TYR 87 -4.627 8.065 -7.188 556 HB2 TYR 87 HB2 TYR 87 -3.753 6.424 -4.809 557 HB3 TYR 87 HB3 TYR 87 -4.204 5.782 -6.381 558 HD1 TYR 87 HD2 TYR 87 -2.794 6.741 -8.408 559 HD2 TYR 87 HD1 TYR 87 -1.515 6.797 -4.347 560 HE1 TYR 87 HE2 TYR 87 -0.461 6.947 -9.151 561 HE2 TYR 87 HE1 TYR 87 0.835 7.005 -5.082 562 HH TYR 87 HH TYR 87 1.712 7.894 -8.140 563 H GLY 88 H GLY 88 -6.317 9.615 -5.431 564 HA2 GLY 88 HA2 GLY 88 -7.969 7.948 -3.846 565 HA3 GLY 88 HA3 GLY 88 -8.325 9.602 -4.318 566 H ASN 89 H ASN 89 -7.848 8.133 -7.177 567 HA ASN 89 HA ASN 89 -10.662 7.804 -7.670 568 HB2 ASN 89 HB2 ASN 89 -8.283 7.293 -9.465 569 HB3 ASN 89 HB3 ASN 89 -9.963 7.231 -9.984 570 HD21 ASN 89 HD22 ASN 89 -11.168 9.162 -10.047 571 HD22 ASN 89 HD21 ASN 89 -10.376 10.700 -10.152 572 H PHE 90 H PHE 90 -8.161 5.837 -6.605 573 HA PHE 90 HA PHE 90 -9.739 3.418 -7.187 574 HB2 PHE 90 HB2 PHE 90 -6.716 3.584 -7.162 575 HB3 PHE 90 HB3 PHE 90 -7.676 2.145 -7.481 576 HD1 PHE 90 HD2 PHE 90 -9.154 2.123 -9.543 577 HD2 PHE 90 HD1 PHE 90 -6.121 5.038 -8.885 578 HE1 PHE 90 HE2 PHE 90 -9.146 2.655 -11.946 579 HE2 PHE 90 HE1 PHE 90 -6.108 5.572 -11.286 580 HZ PHE 90 HZ PHE 90 -7.620 4.379 -12.820 581 H VAL 91 H VAL 91 -7.770 5.222 -4.960 582 HA VAL 91 HA VAL 91 -8.076 3.078 -2.973 583 HB VAL 91 HB VAL 91 -5.975 3.392 -2.230 584 HG11 VAL 91 HG11 VAL 91 -5.531 5.088 -4.672 585 HG12 VAL 91 HG12 VAL 91 -5.782 3.333 -4.744 586 HG13 VAL 91 HG13 VAL 91 -4.393 3.989 -3.875 587 HG21 VAL 91 HG21 VAL 91 -6.438 5.496 -1.158 588 HG22 VAL 91 HG22 VAL 91 -6.289 6.346 -2.697 589 HG23 VAL 91 HG23 VAL 91 -4.874 5.582 -1.972 590 H THR 92 H THR 92 -8.697 3.615 -0.868 591 HA THR 92 HA THR 92 -9.450 6.389 -0.316 592 HB THR 92 HB THR 92 -11.306 4.015 0.065 593 HG1 THR 92 HG1 THR 92 -11.353 6.217 -1.747 594 HG21 THR 92 HG21 THR 92 -11.566 5.634 1.855 595 HG22 THR 92 HG22 THR 92 -12.965 5.678 0.779 596 HG23 THR 92 HG23 THR 92 -11.734 6.940 0.679 597 H TYR 93 H TYR 93 -9.442 6.896 1.952 598 HA TYR 93 HA TYR 93 -8.157 4.808 3.567 599 HB2 TYR 93 HB2 TYR 93 -6.914 6.939 3.365 600 HB3 TYR 93 HB3 TYR 93 -8.267 7.796 4.096 601 HD1 TYR 93 HD1 TYR 93 -7.081 4.461 5.147 602 HD2 TYR 93 HD2 TYR 93 -7.101 8.625 6.024 603 HE1 TYR 93 HE1 TYR 93 -6.125 3.990 7.357 604 HE2 TYR 93 HE2 TYR 93 -6.144 8.166 8.245 605 HH TYR 93 HH TYR 93 -4.874 5.067 9.084 606 H ASP 94 H ASP 94 -9.600 3.654 4.565 607 HA ASP 94 HA ASP 94 -11.405 4.793 6.487 608 HB2 ASP 94 HB2 ASP 94 -12.410 4.281 3.858 609 HB3 ASP 94 HB3 ASP 94 -13.037 3.034 4.927 610 HA PRO 95 HA PRO 95 -10.949 0.604 8.196 611 HB2 PRO 95 HB3 PRO 95 -13.580 0.181 8.961 612 HB3 PRO 95 HB2 PRO 95 -12.377 1.013 9.952 613 HG2 PRO 95 HG2 PRO 95 -14.495 2.158 8.184 614 HG3 PRO 95 HG3 PRO 95 -13.955 2.705 9.784 615 HD2 PRO 95 HD2 PRO 95 -13.184 3.950 7.534 616 HD3 PRO 95 HD3 PRO 95 -12.077 3.765 8.915 617 HA PRO 96 HA PRO 96 -11.591 -0.920 4.174 618 HB2 PRO 96 HB3 PRO 96 -11.287 -3.656 5.256 619 HB3 PRO 96 HB2 PRO 96 -10.347 -2.803 4.041 620 HG2 PRO 96 HG2 PRO 96 -9.440 -3.244 6.540 621 HG3 PRO 96 HG3 PRO 96 -8.961 -1.850 5.559 622 HD2 PRO 96 HD2 PRO 96 -10.783 -1.986 7.886 623 HD3 PRO 96 HD3 PRO 96 -9.792 -0.649 7.287 624 H LEU 97 H LEU 97 -12.879 -3.699 5.956 625 HA LEU 97 HA LEU 97 -15.572 -3.060 4.983 626 HB2 LEU 97 HB2 LEU 97 -14.052 -5.612 4.542 627 HB3 LEU 97 HB3 LEU 97 -15.801 -5.604 4.575 628 HG LEU 97 HG LEU 97 -15.207 -5.569 2.301 629 HD11 LEU 97 HD11 LEU 97 -15.803 -2.721 3.076 630 HD12 LEU 97 HD12 LEU 97 -16.987 -4.010 2.858 631 HD13 LEU 97 HD13 LEU 97 -16.043 -3.438 1.482 632 HD21 LEU 97 HD21 LEU 97 -12.881 -5.018 2.446 633 HD22 LEU 97 HD22 LEU 97 -13.255 -3.378 2.980 634 HD23 LEU 97 HD23 LEU 97 -13.659 -3.887 1.339 635 H THR 98 H THR 98 -13.760 -3.419 7.508 636 HA THR 98 HA THR 98 -14.630 -5.496 9.083 637 HB THR 98 HB THR 98 -12.760 -4.167 9.781 638 HG1 THR 98 HG1 THR 98 -14.636 -3.548 11.794 639 HG21 THR 98 HG21 THR 98 -13.347 -1.985 8.976 640 HG22 THR 98 HG22 THR 98 -13.087 -1.877 10.717 641 HG23 THR 98 HG23 THR 98 -14.728 -1.900 10.073 642 HA PRO 99 HA PRO 99 -18.926 -4.484 9.758 643 HB2 PRO 99 HB3 PRO 99 -19.419 -6.570 11.435 644 HB3 PRO 99 HB2 PRO 99 -19.345 -6.737 9.678 645 HG2 PRO 99 HG2 PRO 99 -17.264 -7.358 11.731 646 HG3 PRO 99 HG3 PRO 99 -17.719 -8.274 10.284 647 HD2 PRO 99 HD2 PRO 99 -15.529 -6.680 10.382 648 HD3 PRO 99 HD3 PRO 99 -16.457 -6.945 8.892 Start of MODEL 8 1 H THR 19 H1 THR 19 11.116 -16.121 -7.478 2 HA THR 19 HA THR 19 11.690 -13.879 -8.090 3 HB THR 19 HB THR 19 8.883 -14.427 -9.061 4 HG1 THR 19 HG1 THR 19 9.604 -16.102 -10.202 5 HG21 THR 19 HG21 THR 19 9.943 -12.373 -9.868 6 HG22 THR 19 HG22 THR 19 9.752 -13.544 -11.174 7 HG23 THR 19 HG23 THR 19 11.332 -13.306 -10.427 8 H ILE 20 H ILE 20 11.689 -11.936 -7.173 9 HA ILE 20 HA ILE 20 9.140 -10.888 -6.124 10 HB ILE 20 HB ILE 20 10.907 -11.620 -4.397 11 HG12 ILE 20 HG12 ILE 20 8.924 -9.880 -4.164 12 HG13 ILE 20 HG13 ILE 20 10.079 -10.122 -2.864 13 HG21 ILE 20 HG21 ILE 20 12.213 -9.100 -5.394 14 HG22 ILE 20 HG22 ILE 20 12.869 -10.738 -5.469 15 HG23 ILE 20 HG23 ILE 20 12.652 -9.943 -3.907 16 HD11 ILE 20 HD11 ILE 20 9.587 -7.764 -3.233 17 HD12 ILE 20 HD12 ILE 20 10.178 -7.898 -4.891 18 HD13 ILE 20 HD13 ILE 20 11.286 -8.131 -3.537 19 H ASP 21 H ASP 21 8.989 -8.524 -6.175 20 HA ASP 21 HA ASP 21 9.897 -7.438 -8.638 21 HB2 ASP 21 HB2 ASP 21 7.807 -6.910 -7.036 22 HB3 ASP 21 HB3 ASP 21 8.889 -5.627 -6.510 23 H VAL 22 H VAL 22 10.510 -4.805 -8.082 24 HA VAL 22 HA VAL 22 13.265 -4.964 -7.257 25 HB VAL 22 HB VAL 22 12.393 -3.442 -9.076 26 HG11 VAL 22 HG11 VAL 22 10.391 -2.683 -7.797 27 HG12 VAL 22 HG12 VAL 22 11.334 -1.373 -8.509 28 HG13 VAL 22 HG13 VAL 22 11.468 -1.719 -6.785 29 HG21 VAL 22 HG21 VAL 22 14.610 -3.136 -8.071 30 HG22 VAL 22 HG22 VAL 22 13.902 -2.081 -6.849 31 HG23 VAL 22 HG23 VAL 22 13.888 -1.598 -8.546 32 H LEU 23 H LEU 23 10.434 -4.836 -5.603 33 HA LEU 23 HA LEU 23 11.034 -2.847 -3.623 34 HB2 LEU 23 HB2 LEU 23 8.970 -5.002 -3.317 35 HB3 LEU 23 HB3 LEU 23 8.950 -3.365 -2.692 36 HG LEU 23 HG LEU 23 8.532 -4.200 -5.562 37 HD11 LEU 23 HD11 LEU 23 6.652 -2.875 -3.622 38 HD12 LEU 23 HD12 LEU 23 6.634 -4.586 -4.042 39 HD13 LEU 23 HD13 LEU 23 6.292 -3.370 -5.274 40 HD21 LEU 23 HD21 LEU 23 9.704 -2.153 -5.676 41 HD22 LEU 23 HD22 LEU 23 8.790 -1.468 -4.335 42 HD23 LEU 23 HD23 LEU 23 7.999 -1.752 -5.883 43 H GLN 24 H GLN 24 13.143 -3.755 -3.122 44 HA GLN 24 HA GLN 24 13.317 -6.257 -1.764 45 HB2 GLN 24 HB2 GLN 24 15.254 -4.017 -2.238 46 HB3 GLN 24 HB3 GLN 24 15.668 -5.383 -1.214 47 HG2 GLN 24 HG2 GLN 24 14.777 -5.641 -4.072 48 HG3 GLN 24 HG3 GLN 24 16.464 -5.544 -3.568 49 HE21 GLN 24 HE22 GLN 24 17.357 -7.250 -2.365 50 HE22 GLN 24 HE21 GLN 24 16.644 -8.829 -2.371 51 H PHE 25 H PHE 25 12.705 -6.612 0.235 52 HA PHE 25 HA PHE 25 12.935 -4.452 2.225 53 HB2 PHE 25 HB2 PHE 25 11.370 -7.039 2.412 54 HB3 PHE 25 HB3 PHE 25 11.378 -5.737 3.608 55 HD1 PHE 25 HD1 PHE 25 10.603 -3.421 2.787 56 HD2 PHE 25 HD2 PHE 25 9.774 -7.058 0.738 57 HE1 PHE 25 HE1 PHE 25 8.710 -2.343 1.644 58 HE2 PHE 25 HE2 PHE 25 7.883 -5.986 -0.411 59 HZ PHE 25 HZ PHE 25 7.402 -3.598 -0.021 60 H LYS 26 H LYS 26 14.435 -4.502 3.573 61 HA LYS 26 HA LYS 26 16.629 -6.116 3.601 62 HB2 LYS 26 HB2 LYS 26 16.947 -4.133 4.683 63 HB3 LYS 26 HB3 LYS 26 15.368 -4.166 5.432 64 HG2 LYS 26 HG2 LYS 26 17.036 -6.247 6.500 65 HG3 LYS 26 HG3 LYS 26 17.813 -4.665 6.641 66 HD2 LYS 26 HD2 LYS 26 15.065 -4.349 7.292 67 HD3 LYS 26 HD3 LYS 26 15.681 -5.746 8.192 68 HE2 LYS 26 HE2 LYS 26 17.564 -4.357 8.988 69 HE3 LYS 26 HE3 LYS 26 16.861 -2.969 8.162 70 HZ1 LYS 26 HZ1 LYS 26 14.902 -3.175 9.566 71 HZ2 LYS 26 HZ2 LYS 26 16.302 -2.989 10.512 72 HZ3 LYS 26 HZ3 LYS 26 15.581 -4.515 10.350 73 H ASP 27 H ASP 27 13.668 -6.498 5.405 74 HA ASP 27 HA ASP 27 14.170 -9.249 5.955 75 HB2 ASP 27 HB2 ASP 27 15.506 -7.991 7.750 76 HB3 ASP 27 HB3 ASP 27 13.960 -7.422 8.365 77 H GLU 28 H GLU 28 12.229 -9.899 7.647 78 HA GLU 28 HA GLU 28 9.807 -9.161 6.451 79 HB2 GLU 28 HB2 GLU 28 9.619 -11.162 7.575 80 HB3 GLU 28 HB3 GLU 28 10.650 -10.637 8.901 81 HG2 GLU 28 HG2 GLU 28 8.863 -9.299 9.791 82 HG3 GLU 28 HG3 GLU 28 7.814 -9.750 8.447 83 H ALA 29 H ALA 29 11.716 -7.821 9.023 84 HA ALA 29 HA ALA 29 9.855 -6.167 10.274 85 HB1 ALA 29 HB1 ALA 29 11.709 -4.952 11.139 86 HB2 ALA 29 HB2 ALA 29 12.746 -5.459 9.805 87 HB3 ALA 29 HB3 ALA 29 12.216 -6.637 11.011 88 H GLN 30 H GLN 30 11.911 -5.470 7.417 89 HA GLN 30 HA GLN 30 10.931 -2.818 7.135 90 HB2 GLN 30 HB2 GLN 30 13.020 -3.897 5.926 91 HB3 GLN 30 HB3 GLN 30 11.823 -4.394 4.744 92 HG2 GLN 30 HG2 GLN 30 11.169 -2.179 4.311 93 HG3 GLN 30 HG3 GLN 30 12.092 -1.566 5.674 94 HE21 GLN 30 HE22 GLN 30 13.097 -0.099 4.306 95 HE22 GLN 30 HE21 GLN 30 14.360 -0.581 3.219 96 H GLU 31 H GLU 31 9.911 -5.944 6.077 97 HA GLU 31 HA GLU 31 7.916 -4.956 4.270 98 HB2 GLU 31 HB2 GLU 31 9.124 -7.100 3.939 99 HB3 GLU 31 HB3 GLU 31 8.314 -7.744 5.352 100 HG2 GLU 31 HG2 GLU 31 6.168 -7.549 4.264 101 HG3 GLU 31 HG3 GLU 31 6.917 -6.766 2.874 102 H GLN 32 H GLN 32 8.094 -5.391 7.645 103 HA GLN 32 HA GLN 32 5.358 -5.842 8.229 104 HB2 GLN 32 HB2 GLN 32 7.528 -4.412 9.783 105 HB3 GLN 32 HB3 GLN 32 5.905 -4.660 10.412 106 HG2 GLN 32 HG2 GLN 32 6.265 -7.106 10.165 107 HG3 GLN 32 HG3 GLN 32 7.935 -6.763 9.710 108 HE21 GLN 32 HE22 GLN 32 6.056 -4.994 12.077 109 HE22 GLN 32 HE21 GLN 32 7.010 -5.441 13.454 110 H GLN 33 H GLN 33 7.273 -2.889 7.765 111 HA GLN 33 HA GLN 33 5.219 -1.014 8.102 112 HB2 GLN 33 HB2 GLN 33 7.543 -0.323 7.902 113 HB3 GLN 33 HB3 GLN 33 7.618 -0.936 6.259 114 HG2 GLN 33 HG2 GLN 33 6.011 0.744 5.544 115 HG3 GLN 33 HG3 GLN 33 5.879 1.330 7.204 116 HE21 GLN 33 HE22 GLN 33 6.547 3.386 6.574 117 HE22 GLN 33 HE21 GLN 33 8.201 3.742 6.229 118 H PHE 34 H PHE 34 6.353 -2.753 5.266 119 HA PHE 34 HA PHE 34 4.547 -1.792 3.365 120 HB2 PHE 34 HB2 PHE 34 6.544 -3.172 2.875 121 HB3 PHE 34 HB3 PHE 34 5.761 -4.560 3.616 122 HD1 PHE 34 HD1 PHE 34 5.342 -2.094 0.871 123 HD2 PHE 34 HD2 PHE 34 4.527 -6.009 2.318 124 HE1 PHE 34 HE1 PHE 34 4.333 -2.677 -1.292 125 HE2 PHE 34 HE2 PHE 34 3.514 -6.602 0.155 126 HZ PHE 34 HZ PHE 34 3.530 -4.981 -1.689 127 H ARG 35 H ARG 35 4.311 -4.578 5.558 128 HA ARG 35 HA ARG 35 1.835 -5.593 4.881 129 HB2 ARG 35 HB2 ARG 35 3.581 -5.597 7.218 130 HB3 ARG 35 HB3 ARG 35 1.892 -5.693 7.662 131 HG2 ARG 35 HG2 ARG 35 3.084 -7.870 7.439 132 HG3 ARG 35 HG3 ARG 35 1.604 -7.726 6.490 133 HD2 ARG 35 HD2 ARG 35 4.169 -6.983 5.218 134 HD3 ARG 35 HD3 ARG 35 3.847 -8.698 5.470 135 HE ARG 35 HE ARG 35 1.650 -7.337 4.236 136 HH11 ARG 35 HH11 ARG 35 4.731 -8.892 3.625 137 HH12 ARG 35 HH12 ARG 35 4.371 -9.230 1.959 138 HH21 ARG 35 HH22 ARG 35 1.195 -7.778 2.040 139 HH22 ARG 35 HH21 ARG 35 2.381 -8.579 1.054 140 H GLN 36 H GLN 36 2.543 -3.001 7.220 141 HA GLN 36 HA GLN 36 -0.207 -2.611 7.862 142 HB2 GLN 36 HB2 GLN 36 2.134 -0.775 8.410 143 HB3 GLN 36 HB3 GLN 36 0.563 -0.727 9.201 144 HG2 GLN 36 HG2 GLN 36 0.953 -2.917 10.173 145 HG3 GLN 36 HG3 GLN 36 2.507 -3.021 9.348 146 HE21 GLN 36 HE22 GLN 36 3.081 -0.182 9.830 147 HE22 GLN 36 HE21 GLN 36 3.523 -0.062 11.500 148 H LEU 37 H LEU 37 2.029 -1.006 5.662 149 HA LEU 37 HA LEU 37 0.353 1.272 5.266 150 HB2 LEU 37 HB2 LEU 37 2.664 0.215 3.632 151 HB3 LEU 37 HB3 LEU 37 1.887 1.767 3.378 152 HG LEU 37 HG LEU 37 3.486 0.912 5.787 153 HD11 LEU 37 HD11 LEU 37 4.869 1.415 3.891 154 HD12 LEU 37 HD12 LEU 37 4.983 2.732 5.062 155 HD13 LEU 37 HD13 LEU 37 4.000 2.926 3.610 156 HD21 LEU 37 HD21 LEU 37 3.204 3.378 6.392 157 HD22 LEU 37 HD22 LEU 37 1.841 2.298 6.692 158 HD23 LEU 37 HD23 LEU 37 1.832 3.362 5.284 159 H THR 38 H THR 38 0.526 -1.899 3.959 160 HA THR 38 HA THR 38 -1.089 -1.165 1.646 161 HB THR 38 HB THR 38 -0.778 -3.503 0.920 162 HG1 THR 38 HG1 THR 38 0.977 -3.792 3.143 163 HG21 THR 38 HG21 THR 38 1.050 -1.531 0.759 164 HG22 THR 38 HG22 THR 38 1.300 -3.131 0.071 165 HG23 THR 38 HG23 THR 38 1.987 -2.727 1.644 166 H GLU 39 H GLU 39 -1.469 -2.470 4.834 167 HA GLU 39 HA GLU 39 -4.016 -3.709 4.107 168 HB2 GLU 39 HB2 GLU 39 -2.391 -3.780 6.639 169 HB3 GLU 39 HB3 GLU 39 -4.024 -4.427 6.544 170 HG2 GLU 39 HG2 GLU 39 -3.278 -5.920 4.720 171 HG3 GLU 39 HG3 GLU 39 -1.637 -5.322 4.948 172 H GLU 40 H GLU 40 -2.778 -0.916 5.795 173 HA GLU 40 HA GLU 40 -5.421 -0.267 6.832 174 HB2 GLU 40 HB2 GLU 40 -3.274 0.119 8.141 175 HB3 GLU 40 HB3 GLU 40 -2.939 1.433 7.025 176 HG2 GLU 40 HG2 GLU 40 -4.763 2.687 7.768 177 HG3 GLU 40 HG3 GLU 40 -5.507 1.302 8.559 178 H LEU 41 H LEU 41 -5.670 -0.481 4.291 179 HA LEU 41 HA LEU 41 -6.152 2.228 3.351 180 HB2 LEU 41 HB2 LEU 41 -4.018 1.840 2.367 181 HB3 LEU 41 HB3 LEU 41 -4.436 0.200 1.922 182 HG LEU 41 HG LEU 41 -5.928 0.998 0.189 183 HD11 LEU 41 HD11 LEU 41 -6.828 2.967 1.149 184 HD12 LEU 41 HD12 LEU 41 -5.979 3.447 -0.330 185 HD13 LEU 41 HD13 LEU 41 -5.234 3.725 1.245 186 HD21 LEU 41 HD21 LEU 41 -3.683 0.692 -0.512 187 HD22 LEU 41 HD22 LEU 41 -3.187 2.230 0.194 188 HD23 LEU 41 HD23 LEU 41 -4.237 2.208 -1.222 189 H ARG 42 H ARG 42 -8.021 2.371 2.153 190 HA ARG 42 HA ARG 42 -9.615 -0.042 2.043 191 HB2 ARG 42 HB2 ARG 42 -10.586 2.167 2.827 192 HB3 ARG 42 HB3 ARG 42 -10.448 2.723 1.166 193 HG2 ARG 42 HG2 ARG 42 -11.838 0.652 0.557 194 HG3 ARG 42 HG3 ARG 42 -12.220 0.589 2.278 195 HD2 ARG 42 HD2 ARG 42 -13.133 2.825 2.191 196 HD3 ARG 42 HD3 ARG 42 -12.684 2.968 0.493 197 HE ARG 42 HE ARG 42 -14.270 0.910 0.285 198 HH11 ARG 42 HH11 ARG 42 -14.672 3.635 2.432 199 HH12 ARG 42 HH12 ARG 42 -16.404 3.573 2.414 200 HH21 ARG 42 HH22 ARG 42 -16.569 0.844 0.212 201 HH22 ARG 42 HH21 ARG 42 -17.485 2.010 1.122 202 H CYS 43 H CYS 43 -9.308 -1.317 0.358 203 HA CYS 43 HA CYS 43 -9.161 -0.127 -2.311 204 HB2 CYS 43 HB2 CYS 43 -8.841 -2.686 -2.868 205 HB3 CYS 43 HB3 CYS 43 -7.503 -1.738 -2.224 206 HG CYS 43 HG CYS 43 -9.077 -4.362 -0.907 207 HA PRO 44 HA PRO 44 -13.615 -0.905 -2.069 208 HB2 PRO 44 HB3 PRO 44 -13.743 0.824 -4.425 209 HB3 PRO 44 HB2 PRO 44 -14.422 1.077 -2.815 210 HG2 PRO 44 HG2 PRO 44 -12.350 2.531 -3.746 211 HG3 PRO 44 HG3 PRO 44 -12.522 2.113 -2.031 212 HD2 PRO 44 HD2 PRO 44 -10.800 0.832 -4.127 213 HD3 PRO 44 HD3 PRO 44 -10.395 1.263 -2.451 214 H LYS 45 H LYS 45 -12.004 -2.846 -3.290 215 HA LYS 45 HA LYS 45 -13.411 -3.427 -5.803 216 HB2 LYS 45 HB2 LYS 45 -10.976 -3.620 -5.880 217 HB3 LYS 45 HB3 LYS 45 -10.993 -4.719 -4.513 218 HG2 LYS 45 HG2 LYS 45 -12.235 -6.345 -5.878 219 HG3 LYS 45 HG3 LYS 45 -12.122 -5.245 -7.253 220 HD2 LYS 45 HD2 LYS 45 -9.724 -5.405 -7.253 221 HD3 LYS 45 HD3 LYS 45 -9.745 -6.339 -5.755 222 HE2 LYS 45 HE2 LYS 45 -10.956 -8.136 -6.916 223 HE3 LYS 45 HE3 LYS 45 -10.884 -7.203 -8.412 224 HZ1 LYS 45 HZ1 LYS 45 -8.524 -8.179 -6.894 225 HZ2 LYS 45 HZ2 LYS 45 -8.488 -7.348 -8.373 226 HZ3 LYS 45 HZ3 LYS 45 -9.155 -8.906 -8.289 227 H CYS 46 H CYS 46 -13.428 -4.030 -2.514 228 HA CYS 46 HA CYS 46 -14.623 -5.339 -1.125 229 HB2 CYS 46 HB2 CYS 46 -16.017 -6.252 -3.638 230 HB3 CYS 46 HB3 CYS 46 -16.518 -6.664 -2.001 231 HG CYS 46 HG CYS 46 -17.330 -4.060 -3.773 232 H GLN 47 H GLN 47 -14.035 -7.339 -4.023 233 HA GLN 47 HA GLN 47 -13.176 -9.541 -2.353 234 HB2 GLN 47 HB2 GLN 47 -13.272 -9.244 -5.360 235 HB3 GLN 47 HB3 GLN 47 -12.891 -10.732 -4.502 236 HG2 GLN 47 HG2 GLN 47 -15.477 -9.269 -4.085 237 HG3 GLN 47 HG3 GLN 47 -15.261 -10.446 -5.378 238 HE21 GLN 47 HE22 GLN 47 -13.667 -10.854 -2.299 239 HE22 GLN 47 HE21 GLN 47 -14.634 -12.176 -1.759 240 H ASN 48 H ASN 48 -11.576 -7.770 -1.600 241 HA ASN 48 HA ASN 48 -8.966 -8.516 -2.474 242 HB2 ASN 48 HB2 ASN 48 -9.730 -6.795 -4.205 243 HB3 ASN 48 HB3 ASN 48 -9.724 -5.616 -2.903 244 HD21 ASN 48 HD22 ASN 48 -7.352 -6.602 -1.593 245 HD22 ASN 48 HD21 ASN 48 -6.015 -6.227 -2.620 246 H ASN 49 H ASN 49 -8.771 -9.038 -0.285 247 HA ASN 49 HA ASN 49 -9.273 -7.052 1.738 248 HB2 ASN 49 HB2 ASN 49 -8.286 -8.803 3.280 249 HB3 ASN 49 HB3 ASN 49 -9.727 -9.285 2.396 250 HD21 ASN 49 HD22 ASN 49 -6.381 -9.873 2.940 251 HD22 ASN 49 HD21 ASN 49 -6.248 -11.278 1.940 252 H SER 50 H SER 50 -7.946 -5.356 1.191 253 HA SER 50 HA SER 50 -6.126 -4.023 1.403 254 HB2 SER 50 HB2 SER 50 -4.755 -6.405 2.672 255 HB3 SER 50 HB3 SER 50 -4.226 -4.725 2.752 256 HG SER 50 HG SER 50 -5.987 -4.231 4.004 257 H ILE 51 H ILE 51 -4.318 -3.478 0.169 258 HA ILE 51 HA ILE 51 -4.042 -5.066 -2.227 259 HB ILE 51 HB ILE 51 -2.578 -3.263 -3.029 260 HG12 ILE 51 HG12 ILE 51 -3.109 -1.860 -0.410 261 HG13 ILE 51 HG13 ILE 51 -1.641 -2.781 -0.713 262 HG21 ILE 51 HG21 ILE 51 -4.949 -3.038 -3.376 263 HG22 ILE 51 HG22 ILE 51 -4.264 -1.455 -3.008 264 HG23 ILE 51 HG23 ILE 51 -5.155 -2.340 -1.770 265 HD11 ILE 51 HD11 ILE 51 -2.560 -0.428 -2.343 266 HD12 ILE 51 HD12 ILE 51 -1.042 -1.312 -2.517 267 HD13 ILE 51 HD13 ILE 51 -1.353 -0.371 -1.056 268 H ALA 52 H ALA 52 -2.770 -5.546 0.637 269 HA ALA 52 HA ALA 52 -0.102 -5.308 0.786 270 HB1 ALA 52 HB1 ALA 52 -1.690 -7.717 1.631 271 HB2 ALA 52 HB2 ALA 52 -1.454 -6.230 2.545 272 HB3 ALA 52 HB3 ALA 52 -0.082 -7.287 2.218 273 H ASP 53 H ASP 53 -1.596 -8.265 -0.554 274 HA ASP 53 HA ASP 53 0.406 -8.294 -2.631 275 HB2 ASP 53 HB2 ASP 53 1.375 -9.534 -0.588 276 HB3 ASP 53 HB3 ASP 53 0.182 -10.780 -0.947 277 H SER 54 H SER 54 -2.038 -7.764 -3.130 278 HA SER 54 HA SER 54 -3.792 -9.990 -3.447 279 HB2 SER 54 HB2 SER 54 -4.027 -7.407 -4.967 280 HB3 SER 54 HB3 SER 54 -5.308 -8.426 -4.307 281 HG SER 54 HG SER 54 -4.643 -7.787 -2.214 282 H ASN 55 H ASN 55 -1.060 -9.057 -5.087 283 HA ASN 55 HA ASN 55 -0.020 -9.757 -6.969 284 HB2 ASN 55 HB2 ASN 55 -2.335 -11.678 -7.037 285 HB3 ASN 55 HB3 ASN 55 -1.127 -11.647 -8.312 286 HD21 ASN 55 HD22 ASN 55 -0.598 -11.159 -4.854 287 HD22 ASN 55 HD21 ASN 55 0.402 -12.546 -4.634 288 H SER 56 H SER 56 -2.744 -8.019 -6.943 289 HA SER 56 HA SER 56 -3.484 -8.062 -9.699 290 HB2 SER 56 HB2 SER 56 -5.135 -7.441 -8.054 291 HB3 SER 56 HB3 SER 56 -4.132 -6.109 -7.484 292 HG SER 56 HG SER 56 -5.973 -5.804 -9.150 293 H MET 57 H MET 57 -3.073 -6.536 -11.287 294 HA MET 57 HA MET 57 -0.519 -5.465 -11.474 295 HB2 MET 57 HB2 MET 57 -2.761 -4.123 -12.922 296 HB3 MET 57 HB3 MET 57 -1.163 -4.550 -13.505 297 HG2 MET 57 HG2 MET 57 -1.992 -6.358 -14.443 298 HG3 MET 57 HG3 MET 57 -2.522 -6.938 -12.864 299 HE1 MET 57 HE1 MET 57 -6.125 -5.494 -12.591 300 HE2 MET 57 HE2 MET 57 -4.579 -5.080 -11.837 301 HE3 MET 57 HE3 MET 57 -5.073 -6.773 -11.986 302 H ILE 58 H ILE 58 -3.563 -3.805 -10.918 303 HA ILE 58 HA ILE 58 -2.377 -1.261 -10.528 304 HB ILE 58 HB ILE 58 -4.463 -0.526 -10.805 305 HG12 ILE 58 HG12 ILE 58 -6.408 -1.576 -9.368 306 HG13 ILE 58 HG13 ILE 58 -5.070 -2.203 -8.412 307 HG21 ILE 58 HG21 ILE 58 -4.990 -3.474 -11.056 308 HG22 ILE 58 HG22 ILE 58 -4.725 -2.281 -12.334 309 HG23 ILE 58 HG23 ILE 58 -6.222 -2.253 -11.401 310 HD11 ILE 58 HD11 ILE 58 -5.795 0.661 -8.961 311 HD12 ILE 58 HD12 ILE 58 -4.241 0.179 -8.283 312 HD13 ILE 58 HD13 ILE 58 -5.731 -0.172 -7.407 313 H ALA 59 H ALA 59 -3.316 -3.888 -8.399 314 HA ALA 59 HA ALA 59 -3.081 -2.522 -5.938 315 HB1 ALA 59 HB1 ALA 59 -4.121 -4.705 -6.050 316 HB2 ALA 59 HB2 ALA 59 -2.736 -4.773 -4.963 317 HB3 ALA 59 HB3 ALA 59 -2.609 -5.431 -6.594 318 H THR 60 H THR 60 -0.768 -4.010 -8.094 319 HA THR 60 HA THR 60 1.505 -3.738 -6.377 320 HB THR 60 HB THR 60 1.342 -4.052 -9.382 321 HG1 THR 60 HG1 THR 60 0.509 -5.894 -8.636 322 HG21 THR 60 HG21 THR 60 3.497 -3.193 -8.598 323 HG22 THR 60 HG22 THR 60 3.641 -4.832 -9.240 324 HG23 THR 60 HG23 THR 60 3.643 -4.563 -7.495 325 H ASP 61 H ASP 61 0.111 -1.881 -9.015 326 HA ASP 61 HA ASP 61 1.904 0.170 -9.364 327 HB2 ASP 61 HB2 ASP 61 -0.480 -0.309 -10.410 328 HB3 ASP 61 HB3 ASP 61 -1.014 0.807 -9.164 329 H LEU 62 H LEU 62 -0.727 -0.005 -7.002 330 HA LEU 62 HA LEU 62 -0.173 2.474 -5.742 331 HB2 LEU 62 HB2 LEU 62 -1.579 0.064 -4.587 332 HB3 LEU 62 HB3 LEU 62 -1.722 1.717 -4.031 333 HG LEU 62 HG LEU 62 -2.717 0.618 -6.657 334 HD11 LEU 62 HD11 LEU 62 -3.992 0.010 -4.617 335 HD12 LEU 62 HD12 LEU 62 -4.904 0.993 -5.761 336 HD13 LEU 62 HD13 LEU 62 -4.234 1.729 -4.306 337 HD21 LEU 62 HD21 LEU 62 -3.663 2.835 -7.026 338 HD22 LEU 62 HD22 LEU 62 -1.905 2.907 -6.913 339 HD23 LEU 62 HD23 LEU 62 -2.899 3.417 -5.547 340 H ARG 63 H ARG 63 0.873 -0.831 -5.126 341 HA ARG 63 HA ARG 63 2.063 -0.291 -2.608 342 HB2 ARG 63 HB2 ARG 63 2.373 -2.543 -4.574 343 HB3 ARG 63 HB3 ARG 63 3.321 -2.468 -3.094 344 HG2 ARG 63 HG2 ARG 63 1.232 -2.386 -1.793 345 HG3 ARG 63 HG3 ARG 63 0.321 -2.558 -3.295 346 HD2 ARG 63 HD2 ARG 63 2.352 -4.525 -2.266 347 HD3 ARG 63 HD3 ARG 63 0.605 -4.681 -2.059 348 HE ARG 63 HE ARG 63 0.972 -4.394 -4.764 349 HH11 ARG 63 HH11 ARG 63 2.118 -6.638 -2.338 350 HH12 ARG 63 HH12 ARG 63 2.364 -7.939 -3.466 351 HH21 ARG 63 HH22 ARG 63 1.308 -6.116 -6.267 352 HH22 ARG 63 HH21 ARG 63 1.892 -7.648 -5.682 353 H GLN 64 H GLN 64 3.176 -0.038 -5.905 354 HA GLN 64 HA GLN 64 5.903 0.370 -5.400 355 HB2 GLN 64 HB2 GLN 64 4.018 1.147 -7.572 356 HB3 GLN 64 HB3 GLN 64 5.585 1.937 -7.520 357 HG2 GLN 64 HG2 GLN 64 5.408 -1.041 -7.384 358 HG3 GLN 64 HG3 GLN 64 5.269 -0.212 -8.936 359 HE21 GLN 64 HE22 GLN 64 7.192 -1.141 -9.664 360 HE22 GLN 64 HE21 GLN 64 8.738 -0.592 -9.105 361 H LYS 65 H LYS 65 3.159 2.607 -5.379 362 HA LYS 65 HA LYS 65 4.583 4.940 -4.772 363 HB2 LYS 65 HB2 LYS 65 2.215 4.965 -5.381 364 HB3 LYS 65 HB3 LYS 65 1.807 4.159 -3.875 365 HG2 LYS 65 HG2 LYS 65 1.343 6.350 -3.338 366 HG3 LYS 65 HG3 LYS 65 3.005 6.202 -2.791 367 HD2 LYS 65 HD2 LYS 65 2.558 7.072 -5.590 368 HD3 LYS 65 HD3 LYS 65 2.226 8.228 -4.301 369 HE2 LYS 65 HE2 LYS 65 4.436 8.132 -3.516 370 HE3 LYS 65 HE3 LYS 65 4.800 6.701 -4.469 371 HZ1 LYS 65 HZ1 LYS 65 5.580 8.055 -6.022 372 HZ2 LYS 65 HZ2 LYS 65 5.048 9.428 -5.183 373 HZ3 LYS 65 HZ3 LYS 65 4.007 8.651 -6.266 374 H VAL 66 H VAL 66 2.968 2.624 -2.641 375 HA VAL 66 HA VAL 66 3.687 3.611 -0.163 376 HB VAL 66 HB VAL 66 3.372 0.728 -1.033 377 HG11 VAL 66 HG11 VAL 66 4.679 1.097 1.105 378 HG12 VAL 66 HG12 VAL 66 3.233 0.098 1.230 379 HG13 VAL 66 HG13 VAL 66 3.196 1.775 1.775 380 HG21 VAL 66 HG21 VAL 66 1.139 0.937 -0.114 381 HG22 VAL 66 HG22 VAL 66 1.405 2.162 -1.353 382 HG23 VAL 66 HG23 VAL 66 1.468 2.606 0.352 383 H TYR 67 H TYR 67 5.616 1.558 -2.350 384 HA TYR 67 HA TYR 67 7.760 1.168 -0.544 385 HB2 TYR 67 HB2 TYR 67 7.439 -0.228 -2.560 386 HB3 TYR 67 HB3 TYR 67 7.840 1.158 -3.570 387 HD1 TYR 67 HD1 TYR 67 9.217 -1.082 -0.945 388 HD2 TYR 67 HD2 TYR 67 10.082 1.644 -4.095 389 HE1 TYR 67 HE1 TYR 67 11.599 -1.666 -0.788 390 HE2 TYR 67 HE2 TYR 67 12.469 1.065 -3.949 391 HH TYR 67 HH TYR 67 13.599 -1.616 -2.155 392 H GLU 68 H GLU 68 7.339 3.490 -3.224 393 HA GLU 68 HA GLU 68 9.716 4.908 -2.901 394 HB2 GLU 68 HB2 GLU 68 7.041 6.086 -3.683 395 HB3 GLU 68 HB3 GLU 68 8.626 6.745 -4.056 396 HG2 GLU 68 HG2 GLU 68 9.087 4.745 -5.426 397 HG3 GLU 68 HG3 GLU 68 7.447 4.190 -5.111 398 H LEU 69 H LEU 69 6.549 5.452 -1.445 399 HA LEU 69 HA LEU 69 7.082 7.788 -0.029 400 HB2 LEU 69 HB2 LEU 69 5.203 5.512 0.557 401 HB3 LEU 69 HB3 LEU 69 5.163 7.056 1.388 402 HG LEU 69 HG LEU 69 4.862 6.799 -1.598 403 HD11 LEU 69 HD11 LEU 69 2.782 6.701 0.551 404 HD12 LEU 69 HD12 LEU 69 3.020 5.605 -0.801 405 HD13 LEU 69 HD13 LEU 69 2.415 7.238 -1.082 406 HD21 LEU 69 HD21 LEU 69 4.021 9.038 -1.488 407 HD22 LEU 69 HD22 LEU 69 5.579 8.988 -0.657 408 HD23 LEU 69 HD23 LEU 69 4.077 9.023 0.276 409 H MET 70 H MET 70 7.762 4.435 0.833 410 HA MET 70 HA MET 70 8.431 4.794 3.531 411 HB2 MET 70 HB2 MET 70 9.660 2.905 1.513 412 HB3 MET 70 HB3 MET 70 9.913 2.813 3.247 413 HG2 MET 70 HG2 MET 70 7.549 2.370 3.582 414 HG3 MET 70 HG3 MET 70 7.273 2.496 1.844 415 HE1 MET 70 HE1 MET 70 6.791 -1.281 2.207 416 HE2 MET 70 HE2 MET 70 6.136 0.267 1.676 417 HE3 MET 70 HE3 MET 70 6.288 -0.079 3.398 418 H GLN 71 H GLN 71 10.492 4.932 0.637 419 HA GLN 71 HA GLN 71 12.772 5.750 2.182 420 HB2 GLN 71 HB2 GLN 71 13.722 6.095 -0.225 421 HB3 GLN 71 HB3 GLN 71 13.445 4.471 0.387 422 HG2 GLN 71 HG2 GLN 71 11.294 4.419 -0.796 423 HG3 GLN 71 HG3 GLN 71 11.634 6.016 -1.452 424 HE21 GLN 71 HE22 GLN 71 11.574 5.257 -3.572 425 HE22 GLN 71 HE21 GLN 71 12.829 4.265 -4.238 426 H GLU 72 H GLU 72 10.199 7.338 0.499 427 HA GLU 72 HA GLU 72 11.390 9.882 0.214 428 HB2 GLU 72 HB2 GLU 72 8.500 9.117 0.656 429 HB3 GLU 72 HB3 GLU 72 9.033 10.753 0.304 430 HG2 GLU 72 HG2 GLU 72 10.005 9.901 -1.820 431 HG3 GLU 72 HG3 GLU 72 9.270 8.342 -1.468 432 H GLY 73 H GLY 73 9.879 8.238 2.913 433 HA2 GLY 73 HA2 GLY 73 10.681 8.718 5.136 434 HA3 GLY 73 HA3 GLY 73 10.870 10.400 4.655 435 H LYS 74 H LYS 74 8.082 8.636 3.661 436 HA LYS 74 HA LYS 74 6.367 10.524 4.947 437 HB2 LYS 74 HB2 LYS 74 5.545 7.955 3.607 438 HB3 LYS 74 HB3 LYS 74 4.575 9.393 3.848 439 HG2 LYS 74 HG2 LYS 74 7.042 9.353 2.127 440 HG3 LYS 74 HG3 LYS 74 5.412 9.050 1.517 441 HD2 LYS 74 HD2 LYS 74 4.705 11.202 1.980 442 HD3 LYS 74 HD3 LYS 74 6.033 11.515 3.100 443 HE2 LYS 74 HE2 LYS 74 7.539 11.246 1.048 444 HE3 LYS 74 HE3 LYS 74 6.059 11.412 0.103 445 HZ1 LYS 74 HZ1 LYS 74 7.122 13.545 0.354 446 HZ2 LYS 74 HZ2 LYS 74 7.135 13.388 2.042 447 HZ3 LYS 74 HZ3 LYS 74 5.660 13.544 1.215 448 H SER 75 H SER 75 4.651 9.950 6.355 449 HA SER 75 HA SER 75 5.446 8.008 8.382 450 HB2 SER 75 HB2 SER 75 3.244 10.082 8.453 451 HB3 SER 75 HB3 SER 75 3.879 9.169 9.825 452 HG SER 75 HG SER 75 5.288 11.070 8.242 453 H LYS 76 H LYS 76 3.467 6.818 9.425 454 HA LYS 76 HA LYS 76 2.579 5.011 7.499 455 HB2 LYS 76 HB2 LYS 76 1.835 5.547 10.327 456 HB3 LYS 76 HB3 LYS 76 0.797 4.490 9.382 457 HG2 LYS 76 HG2 LYS 76 2.335 3.118 10.540 458 HG3 LYS 76 HG3 LYS 76 2.813 3.112 8.851 459 HD2 LYS 76 HD2 LYS 76 4.081 5.083 10.687 460 HD3 LYS 76 HD3 LYS 76 4.587 3.398 10.784 461 HE2 LYS 76 HE2 LYS 76 5.095 3.447 8.378 462 HE3 LYS 76 HE3 LYS 76 4.639 5.149 8.326 463 HZ1 LYS 76 HZ1 LYS 76 6.888 3.976 9.885 464 HZ2 LYS 76 HZ2 LYS 76 6.422 5.607 9.937 465 HZ3 LYS 76 HZ3 LYS 76 7.023 4.944 8.501 466 H LYS 77 H LYS 77 0.630 7.494 9.169 467 HA LYS 77 HA LYS 77 -1.635 7.194 7.487 468 HB2 LYS 77 HB2 LYS 77 -0.827 9.682 9.006 469 HB3 LYS 77 HB3 LYS 77 -2.446 9.230 8.482 470 HG2 LYS 77 HG2 LYS 77 -0.772 7.873 10.563 471 HG3 LYS 77 HG3 LYS 77 -2.235 8.828 10.831 472 HD2 LYS 77 HD2 LYS 77 -3.458 7.165 9.397 473 HD3 LYS 77 HD3 LYS 77 -1.995 6.180 9.424 474 HE2 LYS 77 HE2 LYS 77 -2.140 5.938 11.815 475 HE3 LYS 77 HE3 LYS 77 -3.493 7.068 11.886 476 HZ1 LYS 77 HZ1 LYS 77 -4.789 5.501 10.547 477 HZ2 LYS 77 HZ2 LYS 77 -4.290 4.811 12.013 478 HZ3 LYS 77 HZ3 LYS 77 -3.498 4.399 10.567 479 H GLU 78 H GLU 78 1.202 9.235 7.393 480 HA GLU 78 HA GLU 78 0.436 10.974 5.349 481 HB2 GLU 78 HB2 GLU 78 2.393 11.377 6.696 482 HB3 GLU 78 HB3 GLU 78 3.173 9.933 6.072 483 HG2 GLU 78 HG2 GLU 78 4.117 11.878 5.038 484 HG3 GLU 78 HG3 GLU 78 3.221 10.948 3.841 485 H ILE 79 H ILE 79 1.996 7.777 5.121 486 HA ILE 79 HA ILE 79 2.325 7.752 2.334 487 HB ILE 79 HB ILE 79 2.094 5.571 4.378 488 HG12 ILE 79 HG12 ILE 79 4.268 5.215 2.621 489 HG13 ILE 79 HG13 ILE 79 4.171 6.945 2.919 490 HG21 ILE 79 HG21 ILE 79 0.903 5.102 2.045 491 HG22 ILE 79 HG22 ILE 79 1.823 3.863 2.900 492 HG23 ILE 79 HG23 ILE 79 2.565 4.751 1.568 493 HD11 ILE 79 HD11 ILE 79 4.189 4.931 5.147 494 HD12 ILE 79 HD12 ILE 79 4.517 6.663 5.229 495 HD13 ILE 79 HD13 ILE 79 5.667 5.584 4.441 496 H VAL 80 H VAL 80 -0.378 6.493 4.314 497 HA VAL 80 HA VAL 80 -1.874 5.717 2.023 498 HB VAL 80 HB VAL 80 -2.352 4.520 4.009 499 HG11 VAL 80 HG11 VAL 80 -3.065 7.142 5.295 500 HG12 VAL 80 HG12 VAL 80 -1.661 6.144 5.668 501 HG13 VAL 80 HG13 VAL 80 -3.284 5.554 6.026 502 HG21 VAL 80 HG21 VAL 80 -4.263 4.876 2.570 503 HG22 VAL 80 HG22 VAL 80 -4.625 6.377 3.423 504 HG23 VAL 80 HG23 VAL 80 -4.767 4.832 4.262 505 H ASP 81 H ASP 81 -1.857 8.591 4.057 506 HA ASP 81 HA ASP 81 -4.048 9.919 2.919 507 HB2 ASP 81 HB2 ASP 81 -2.979 10.765 4.933 508 HB3 ASP 81 HB3 ASP 81 -1.480 11.043 4.056 509 H TYR 82 H TYR 82 -0.665 9.740 1.997 510 HA TYR 82 HA TYR 82 -0.691 11.467 -0.210 511 HB2 TYR 82 HB2 TYR 82 1.312 10.294 0.934 512 HB3 TYR 82 HB3 TYR 82 0.915 8.916 -0.078 513 HD1 TYR 82 HD2 TYR 82 0.893 9.251 -2.607 514 HD2 TYR 82 HD1 TYR 82 2.634 12.043 0.087 515 HE1 TYR 82 HE2 TYR 82 2.220 10.187 -4.448 516 HE2 TYR 82 HE1 TYR 82 3.968 12.991 -1.750 517 HH TYR 82 HH TYR 82 4.863 12.080 -4.039 518 H MET 83 H MET 83 -1.301 8.026 0.115 519 HA MET 83 HA MET 83 -1.725 7.351 -2.546 520 HB2 MET 83 HB2 MET 83 -3.046 6.235 -0.066 521 HB3 MET 83 HB3 MET 83 -3.083 5.478 -1.651 522 HG2 MET 83 HG2 MET 83 -0.576 6.039 -0.096 523 HG3 MET 83 HG3 MET 83 -1.432 4.501 -0.109 524 HE1 MET 83 HE1 MET 83 -1.158 3.537 -3.923 525 HE2 MET 83 HE2 MET 83 -2.445 4.456 -3.143 526 HE3 MET 83 HE3 MET 83 -1.772 3.032 -2.348 527 H VAL 84 H VAL 84 -4.181 8.197 -0.096 528 HA VAL 84 HA VAL 84 -6.297 8.105 -1.997 529 HB VAL 84 HB VAL 84 -7.768 8.784 -0.307 530 HG11 VAL 84 HG11 VAL 84 -5.464 7.419 1.061 531 HG12 VAL 84 HG12 VAL 84 -6.763 6.639 0.165 532 HG13 VAL 84 HG13 VAL 84 -7.116 7.492 1.668 533 HG21 VAL 84 HG21 VAL 84 -6.995 10.842 0.458 534 HG22 VAL 84 HG22 VAL 84 -5.424 10.192 0.918 535 HG23 VAL 84 HG23 VAL 84 -6.852 9.798 1.873 536 H ALA 85 H ALA 85 -4.164 10.644 -0.929 537 HA ALA 85 HA ALA 85 -5.691 12.822 -1.849 538 HB1 ALA 85 HB1 ALA 85 -3.443 13.999 -1.865 539 HB2 ALA 85 HB2 ALA 85 -2.762 12.468 -1.313 540 HB3 ALA 85 HB3 ALA 85 -3.966 13.304 -0.330 541 H ARG 86 H ARG 86 -3.244 10.789 -3.378 542 HA ARG 86 HA ARG 86 -3.495 12.307 -5.871 543 HB2 ARG 86 HB2 ARG 86 -1.511 10.297 -4.857 544 HB3 ARG 86 HB3 ARG 86 -1.594 10.685 -6.567 545 HG2 ARG 86 HG2 ARG 86 0.108 12.034 -5.693 546 HG3 ARG 86 HG3 ARG 86 -1.282 13.104 -5.879 547 HD2 ARG 86 HD2 ARG 86 -1.803 12.771 -3.486 548 HD3 ARG 86 HD3 ARG 86 -0.342 11.801 -3.328 549 HE ARG 86 HE ARG 86 0.360 14.270 -4.439 550 HH11 ARG 86 HH11 ARG 86 -0.829 12.967 -1.412 551 HH12 ARG 86 HH12 ARG 86 -0.135 14.225 -0.443 552 HH21 ARG 86 HH22 ARG 86 1.282 15.914 -3.190 553 HH22 ARG 86 HH21 ARG 86 1.070 15.926 -1.465 554 H TYR 87 H TYR 87 -3.574 8.939 -4.764 555 HA TYR 87 HA TYR 87 -4.714 8.086 -7.315 556 HB2 TYR 87 HB2 TYR 87 -3.666 6.493 -4.966 557 HB3 TYR 87 HB3 TYR 87 -4.274 5.795 -6.463 558 HD1 TYR 87 HD2 TYR 87 -2.993 6.042 -8.557 559 HD2 TYR 87 HD1 TYR 87 -1.480 7.474 -4.845 560 HE1 TYR 87 HE2 TYR 87 -0.746 6.206 -9.542 561 HE2 TYR 87 HE1 TYR 87 0.777 7.637 -5.817 562 HH TYR 87 HH TYR 87 1.324 7.208 -9.242 563 H GLY 88 H GLY 88 -6.218 9.593 -5.232 564 HA2 GLY 88 HA2 GLY 88 -7.955 7.852 -3.835 565 HA3 GLY 88 HA3 GLY 88 -8.234 9.559 -4.138 566 H ASN 89 H ASN 89 -7.768 8.371 -7.101 567 HA ASN 89 HA ASN 89 -10.506 8.299 -7.822 568 HB2 ASN 89 HB2 ASN 89 -8.669 8.967 -9.376 569 HB3 ASN 89 HB3 ASN 89 -8.127 7.292 -9.396 570 HD21 ASN 89 HD22 ASN 89 -11.483 8.324 -9.371 571 HD22 ASN 89 HD21 ASN 89 -11.869 7.760 -10.961 572 H PHE 90 H PHE 90 -8.234 5.982 -6.754 573 HA PHE 90 HA PHE 90 -10.269 3.882 -7.045 574 HB2 PHE 90 HB2 PHE 90 -8.415 3.428 -8.601 575 HB3 PHE 90 HB3 PHE 90 -7.269 3.490 -7.264 576 HD1 PHE 90 HD2 PHE 90 -9.907 1.543 -8.878 577 HD2 PHE 90 HD1 PHE 90 -7.113 1.674 -5.672 578 HE1 PHE 90 HE2 PHE 90 -10.255 -0.859 -8.480 579 HE2 PHE 90 HE1 PHE 90 -7.457 -0.729 -5.269 580 HZ PHE 90 HZ PHE 90 -9.033 -1.998 -6.672 581 H VAL 91 H VAL 91 -7.611 5.191 -5.113 582 HA VAL 91 HA VAL 91 -8.154 3.212 -3.035 583 HB VAL 91 HB VAL 91 -6.029 3.435 -2.335 584 HG11 VAL 91 HG11 VAL 91 -5.552 5.098 -4.794 585 HG12 VAL 91 HG12 VAL 91 -5.894 3.361 -4.855 586 HG13 VAL 91 HG13 VAL 91 -4.456 3.947 -4.017 587 HG21 VAL 91 HG21 VAL 91 -6.363 5.556 -1.259 588 HG22 VAL 91 HG22 VAL 91 -6.226 6.400 -2.800 589 HG23 VAL 91 HG23 VAL 91 -4.823 5.578 -2.119 590 H THR 92 H THR 92 -8.362 3.892 -0.797 591 HA THR 92 HA THR 92 -9.164 6.614 -0.239 592 HB THR 92 HB THR 92 -11.145 4.327 -0.138 593 HG1 THR 92 HG1 THR 92 -10.610 6.243 -1.940 594 HG21 THR 92 HG21 THR 92 -11.349 5.674 1.874 595 HG22 THR 92 HG22 THR 92 -12.732 5.937 0.806 596 HG23 THR 92 HG23 THR 92 -11.448 7.145 0.900 597 H TYR 93 H TYR 93 -9.037 7.086 1.984 598 HA TYR 93 HA TYR 93 -7.977 4.924 3.633 599 HB2 TYR 93 HB2 TYR 93 -6.780 7.071 3.646 600 HB3 TYR 93 HB3 TYR 93 -8.230 7.897 4.197 601 HD1 TYR 93 HD1 TYR 93 -6.239 4.896 5.239 602 HD2 TYR 93 HD2 TYR 93 -8.182 8.486 6.435 603 HE1 TYR 93 HE1 TYR 93 -5.524 4.504 7.557 604 HE2 TYR 93 HE2 TYR 93 -7.472 8.101 8.758 605 HH TYR 93 HH TYR 93 -6.825 6.096 10.183 606 H ASP 94 H ASP 94 -9.505 3.687 4.419 607 HA ASP 94 HA ASP 94 -11.688 4.706 5.990 608 HB2 ASP 94 HB2 ASP 94 -12.068 4.053 3.168 609 HB3 ASP 94 HB3 ASP 94 -13.065 3.050 4.213 610 HA PRO 95 HA PRO 95 -11.444 0.491 7.607 611 HB2 PRO 95 HB3 PRO 95 -14.093 0.084 8.186 612 HB3 PRO 95 HB2 PRO 95 -13.001 1.006 9.225 613 HG2 PRO 95 HG2 PRO 95 -14.960 1.997 7.187 614 HG3 PRO 95 HG3 PRO 95 -14.644 2.607 8.823 615 HD2 PRO 95 HD2 PRO 95 -13.632 3.822 6.662 616 HD3 PRO 95 HD3 PRO 95 -12.704 3.702 8.173 617 HA PRO 96 HA PRO 96 -12.481 -1.596 3.841 618 HB2 PRO 96 HB3 PRO 96 -11.665 -4.117 4.913 619 HB3 PRO 96 HB2 PRO 96 -10.755 -3.032 3.867 620 HG2 PRO 96 HG2 PRO 96 -10.163 -3.610 6.519 621 HG3 PRO 96 HG3 PRO 96 -9.515 -2.259 5.577 622 HD2 PRO 96 HD2 PRO 96 -11.654 -2.288 7.624 623 HD3 PRO 96 HD3 PRO 96 -10.532 -0.995 7.163 624 H LEU 97 H LEU 97 -13.188 -4.343 3.758 625 HA LEU 97 HA LEU 97 -16.005 -4.058 4.200 626 HB2 LEU 97 HB2 LEU 97 -14.348 -6.355 3.166 627 HB3 LEU 97 HB3 LEU 97 -16.092 -6.421 3.312 628 HG LEU 97 HG LEU 97 -15.597 -5.959 1.037 629 HD11 LEU 97 HD11 LEU 97 -16.650 -3.778 0.693 630 HD12 LEU 97 HD12 LEU 97 -16.418 -3.407 2.403 631 HD13 LEU 97 HD13 LEU 97 -17.480 -4.732 1.924 632 HD21 LEU 97 HD21 LEU 97 -13.303 -5.181 1.277 633 HD22 LEU 97 HD22 LEU 97 -13.879 -3.670 1.984 634 HD23 LEU 97 HD23 LEU 97 -14.250 -4.056 0.303 635 H THR 98 H THR 98 -13.635 -4.730 6.274 636 HA THR 98 HA THR 98 -14.466 -6.926 7.771 637 HB THR 98 HB THR 98 -12.298 -5.723 8.062 638 HG1 THR 98 HG1 THR 98 -13.527 -5.600 10.587 639 HG21 THR 98 HG21 THR 98 -12.238 -3.707 9.473 640 HG22 THR 98 HG22 THR 98 -14.001 -3.649 9.440 641 HG23 THR 98 HG23 THR 98 -13.086 -3.432 7.948 642 HA PRO 99 HA PRO 99 -18.353 -5.716 9.541 643 HB2 PRO 99 HB3 PRO 99 -18.019 -6.859 12.053 644 HB3 PRO 99 HB2 PRO 99 -18.613 -7.699 10.618 645 HG2 PRO 99 HG2 PRO 99 -15.875 -7.667 11.801 646 HG3 PRO 99 HG3 PRO 99 -16.757 -9.004 11.041 647 HD2 PRO 99 HD2 PRO 99 -14.807 -7.694 9.747 648 HD3 PRO 99 HD3 PRO 99 -16.251 -8.285 8.896 Start of MODEL 9 1 H THR 19 H1 THR 19 10.556 -9.270 -1.678 2 HA THR 19 HA THR 19 12.166 -8.371 -3.989 3 HB THR 19 HB THR 19 13.350 -10.143 -2.866 4 HG1 THR 19 HG1 THR 19 12.769 -11.915 -4.595 5 HG21 THR 19 HG21 THR 19 11.569 -11.077 -1.508 6 HG22 THR 19 HG22 THR 19 12.327 -12.352 -2.464 7 HG23 THR 19 HG23 THR 19 10.762 -11.696 -2.948 8 H ILE 20 H ILE 20 11.108 -8.307 -5.834 9 HA ILE 20 HA ILE 20 9.194 -9.999 -6.833 10 HB ILE 20 HB ILE 20 7.747 -9.331 -4.951 11 HG12 ILE 20 HG12 ILE 20 6.880 -9.809 -7.351 12 HG13 ILE 20 HG13 ILE 20 5.768 -9.150 -6.161 13 HG21 ILE 20 HG21 ILE 20 7.862 -6.551 -6.099 14 HG22 ILE 20 HG22 ILE 20 8.604 -7.083 -4.590 15 HG23 ILE 20 HG23 ILE 20 6.849 -7.081 -4.755 16 HD11 ILE 20 HD11 ILE 20 5.489 -8.101 -8.332 17 HD12 ILE 20 HD12 ILE 20 7.181 -7.605 -8.317 18 HD13 ILE 20 HD13 ILE 20 6.054 -6.931 -7.138 19 H ASP 21 H ASP 21 10.223 -6.680 -6.501 20 HA ASP 21 HA ASP 21 10.322 -6.331 -9.380 21 HB2 ASP 21 HB2 ASP 21 7.966 -5.685 -8.425 22 HB3 ASP 21 HB3 ASP 21 8.805 -4.291 -7.755 23 H VAL 22 H VAL 22 10.500 -3.374 -8.957 24 HA VAL 22 HA VAL 22 13.186 -3.116 -8.043 25 HB VAL 22 HB VAL 22 12.003 -1.562 -9.654 26 HG11 VAL 22 HG11 VAL 22 9.944 -1.318 -8.236 27 HG12 VAL 22 HG12 VAL 22 10.612 0.196 -8.847 28 HG13 VAL 22 HG13 VAL 22 10.885 -0.275 -7.170 29 HG21 VAL 22 HG21 VAL 22 14.174 -1.036 -8.615 30 HG22 VAL 22 HG22 VAL 22 13.324 -0.225 -7.299 31 HG23 VAL 22 HG23 VAL 22 13.213 0.407 -8.944 32 H LEU 23 H LEU 23 10.327 -3.593 -6.459 33 HA LEU 23 HA LEU 23 10.730 -1.951 -4.140 34 HB2 LEU 23 HB2 LEU 23 8.888 -4.309 -4.271 35 HB3 LEU 23 HB3 LEU 23 8.700 -2.811 -3.379 36 HG LEU 23 HG LEU 23 8.432 -3.147 -6.370 37 HD11 LEU 23 HD11 LEU 23 6.391 -2.636 -4.220 38 HD12 LEU 23 HD12 LEU 23 6.552 -4.088 -5.205 39 HD13 LEU 23 HD13 LEU 23 6.074 -2.563 -5.951 40 HD21 LEU 23 HD21 LEU 23 9.311 -0.982 -6.011 41 HD22 LEU 23 HD22 LEU 23 8.265 -0.706 -4.625 42 HD23 LEU 23 HD23 LEU 23 7.574 -0.783 -6.242 43 H GLN 24 H GLN 24 12.931 -2.767 -3.812 44 HA GLN 24 HA GLN 24 13.092 -5.437 -2.648 45 HB2 GLN 24 HB2 GLN 24 15.234 -3.450 -3.397 46 HB3 GLN 24 HB3 GLN 24 15.556 -5.009 -2.649 47 HG2 GLN 24 HG2 GLN 24 14.184 -4.606 -5.300 48 HG3 GLN 24 HG3 GLN 24 15.881 -5.031 -5.080 49 HE21 GLN 24 HE22 GLN 24 16.428 -7.072 -4.375 50 HE22 GLN 24 HE21 GLN 24 15.314 -8.400 -4.409 51 H PHE 25 H PHE 25 12.763 -5.645 -0.577 52 HA PHE 25 HA PHE 25 12.874 -3.361 1.206 53 HB2 PHE 25 HB2 PHE 25 12.178 -6.253 1.786 54 HB3 PHE 25 HB3 PHE 25 11.874 -4.874 2.848 55 HD1 PHE 25 HD1 PHE 25 10.381 -3.003 1.905 56 HD2 PHE 25 HD2 PHE 25 10.554 -6.930 0.280 57 HE1 PHE 25 HE1 PHE 25 8.200 -2.647 0.827 58 HE2 PHE 25 HE2 PHE 25 8.373 -6.580 -0.800 59 HZ PHE 25 HZ PHE 25 7.196 -4.438 -0.534 60 H LYS 26 H LYS 26 14.328 -2.907 2.583 61 HA LYS 26 HA LYS 26 16.924 -3.733 2.568 62 HB2 LYS 26 HB2 LYS 26 16.814 -1.826 3.751 63 HB3 LYS 26 HB3 LYS 26 15.153 -2.123 4.209 64 HG2 LYS 26 HG2 LYS 26 16.629 -3.873 5.775 65 HG3 LYS 26 HG3 LYS 26 17.560 -2.373 5.756 66 HD2 LYS 26 HD2 LYS 26 14.613 -2.553 6.356 67 HD3 LYS 26 HD3 LYS 26 15.880 -2.469 7.586 68 HE2 LYS 26 HE2 LYS 26 15.269 -0.395 5.490 69 HE3 LYS 26 HE3 LYS 26 14.887 -0.280 7.203 70 HZ1 LYS 26 HZ1 LYS 26 17.640 -0.470 6.091 71 HZ2 LYS 26 HZ2 LYS 26 17.224 -0.282 7.725 72 HZ3 LYS 26 HZ3 LYS 26 16.899 0.959 6.617 73 H ASP 27 H ASP 27 14.290 -4.892 4.557 74 HA ASP 27 HA ASP 27 15.241 -7.529 4.580 75 HB2 ASP 27 HB2 ASP 27 15.794 -7.881 6.876 76 HB3 ASP 27 HB3 ASP 27 16.756 -6.510 6.345 77 H GLU 28 H GLU 28 13.817 -8.428 6.858 78 HA GLU 28 HA GLU 28 11.234 -8.497 5.851 79 HB2 GLU 28 HB2 GLU 28 11.773 -10.273 7.231 80 HB3 GLU 28 HB3 GLU 28 12.555 -9.245 8.424 81 HG2 GLU 28 HG2 GLU 28 10.399 -8.426 9.131 82 HG3 GLU 28 HG3 GLU 28 9.594 -9.459 7.951 83 H ALA 29 H ALA 29 12.788 -6.314 8.112 84 HA ALA 29 HA ALA 29 10.523 -5.208 9.334 85 HB1 ALA 29 HB1 ALA 29 11.928 -3.472 10.094 86 HB2 ALA 29 HB2 ALA 29 13.019 -3.636 8.710 87 HB3 ALA 29 HB3 ALA 29 12.971 -4.888 9.959 88 H GLN 30 H GLN 30 12.296 -4.048 6.441 89 HA GLN 30 HA GLN 30 10.600 -1.837 5.980 90 HB2 GLN 30 HB2 GLN 30 12.893 -2.397 4.817 91 HB3 GLN 30 HB3 GLN 30 11.894 -3.316 3.705 92 HG2 GLN 30 HG2 GLN 30 10.702 -1.421 3.016 93 HG3 GLN 30 HG3 GLN 30 11.336 -0.444 4.335 94 HE21 GLN 30 HE22 GLN 30 12.076 1.128 2.933 95 HE22 GLN 30 HE21 GLN 30 13.462 0.894 1.928 96 H GLU 31 H GLU 31 10.466 -5.198 5.145 97 HA GLU 31 HA GLU 31 8.295 -5.005 3.324 98 HB2 GLU 31 HB2 GLU 31 9.882 -6.863 3.289 99 HB3 GLU 31 HB3 GLU 31 9.366 -7.354 4.888 100 HG2 GLU 31 HG2 GLU 31 7.165 -7.905 4.041 101 HG3 GLU 31 HG3 GLU 31 7.621 -7.326 2.439 102 H GLN 32 H GLN 32 8.538 -5.417 6.825 103 HA GLN 32 HA GLN 32 5.810 -6.091 7.286 104 HB2 GLN 32 HB2 GLN 32 7.715 -4.609 9.110 105 HB3 GLN 32 HB3 GLN 32 6.235 -5.416 9.603 106 HG2 GLN 32 HG2 GLN 32 7.497 -7.487 8.524 107 HG3 GLN 32 HG3 GLN 32 8.895 -6.514 8.951 108 HE21 GLN 32 HE22 GLN 32 9.269 -6.002 11.117 109 HE22 GLN 32 HE21 GLN 32 8.564 -6.928 12.397 110 H GLN 33 H GLN 33 7.598 -3.031 7.184 111 HA GLN 33 HA GLN 33 5.520 -1.286 7.831 112 HB2 GLN 33 HB2 GLN 33 7.770 -0.450 7.616 113 HB3 GLN 33 HB3 GLN 33 7.848 -0.945 5.933 114 HG2 GLN 33 HG2 GLN 33 6.176 0.710 5.344 115 HG3 GLN 33 HG3 GLN 33 6.023 1.170 7.041 116 HE21 GLN 33 HE22 GLN 33 6.571 3.289 6.491 117 HE22 GLN 33 HE21 GLN 33 8.208 3.749 6.194 118 H PHE 34 H PHE 34 6.443 -2.794 4.813 119 HA PHE 34 HA PHE 34 4.597 -1.621 3.092 120 HB2 PHE 34 HB2 PHE 34 6.530 -3.100 2.474 121 HB3 PHE 34 HB3 PHE 34 5.588 -4.478 3.020 122 HD1 PHE 34 HD1 PHE 34 5.661 -1.723 0.548 123 HD2 PHE 34 HD2 PHE 34 4.060 -5.521 1.613 124 HE1 PHE 34 HE1 PHE 34 4.632 -1.912 -1.679 125 HE2 PHE 34 HE2 PHE 34 3.030 -5.716 -0.610 126 HZ PHE 34 HZ PHE 34 3.428 -3.939 -2.303 127 H ARG 35 H ARG 35 4.300 -4.395 5.277 128 HA ARG 35 HA ARG 35 1.757 -5.319 4.558 129 HB2 ARG 35 HB2 ARG 35 3.366 -5.362 7.073 130 HB3 ARG 35 HB3 ARG 35 1.677 -5.789 7.172 131 HG2 ARG 35 HG2 ARG 35 3.093 -7.739 7.008 132 HG3 ARG 35 HG3 ARG 35 2.026 -7.617 5.606 133 HD2 ARG 35 HD2 ARG 35 3.892 -6.592 4.385 134 HD3 ARG 35 HD3 ARG 35 4.927 -6.854 5.775 135 HE ARG 35 HE ARG 35 4.653 -9.238 5.444 136 HH11 ARG 35 HH11 ARG 35 3.620 -7.205 2.793 137 HH12 ARG 35 HH12 ARG 35 3.804 -8.445 1.594 138 HH21 ARG 35 HH22 ARG 35 4.976 -10.855 3.878 139 HH22 ARG 35 HH21 ARG 35 4.635 -10.518 2.201 140 H GLN 36 H GLN 36 2.665 -2.930 7.033 141 HA GLN 36 HA GLN 36 -0.004 -2.490 7.894 142 HB2 GLN 36 HB2 GLN 36 2.358 -0.643 8.273 143 HB3 GLN 36 HB3 GLN 36 0.906 -0.721 9.261 144 HG2 GLN 36 HG2 GLN 36 1.529 -2.917 10.068 145 HG3 GLN 36 HG3 GLN 36 2.944 -2.925 9.018 146 HE21 GLN 36 HE22 GLN 36 1.840 -0.086 10.717 147 HE22 GLN 36 HE21 GLN 36 3.161 0.006 11.827 148 H LEU 37 H LEU 37 2.114 -0.860 5.649 149 HA LEU 37 HA LEU 37 0.495 1.450 5.370 150 HB2 LEU 37 HB2 LEU 37 2.683 0.336 3.613 151 HB3 LEU 37 HB3 LEU 37 1.931 1.908 3.387 152 HG LEU 37 HG LEU 37 3.576 1.012 5.749 153 HD11 LEU 37 HD11 LEU 37 4.956 1.500 3.867 154 HD12 LEU 37 HD12 LEU 37 5.065 2.852 4.997 155 HD13 LEU 37 HD13 LEU 37 4.076 2.995 3.543 156 HD21 LEU 37 HD21 LEU 37 3.335 3.388 6.481 157 HD22 LEU 37 HD22 LEU 37 1.866 2.420 6.604 158 HD23 LEU 37 HD23 LEU 37 2.060 3.566 5.275 159 H THR 38 H THR 38 0.368 -1.706 3.967 160 HA THR 38 HA THR 38 -1.440 -0.770 1.873 161 HB THR 38 HB THR 38 -1.449 -3.263 1.244 162 HG1 THR 38 HG1 THR 38 0.945 -3.215 2.788 163 HG21 THR 38 HG21 THR 38 0.932 -1.449 0.940 164 HG22 THR 38 HG22 THR 38 -0.372 -1.750 -0.204 165 HG23 THR 38 HG23 THR 38 0.820 -3.007 0.126 166 H GLU 39 H GLU 39 -1.566 -2.221 5.031 167 HA GLU 39 HA GLU 39 -4.098 -3.539 4.508 168 HB2 GLU 39 HB2 GLU 39 -2.406 -3.338 6.987 169 HB3 GLU 39 HB3 GLU 39 -3.993 -4.099 6.977 170 HG2 GLU 39 HG2 GLU 39 -3.147 -5.605 5.155 171 HG3 GLU 39 HG3 GLU 39 -1.541 -4.943 5.458 172 H GLU 40 H GLU 40 -3.121 -0.447 5.702 173 HA GLU 40 HA GLU 40 -5.728 0.024 6.907 174 HB2 GLU 40 HB2 GLU 40 -3.222 1.639 6.679 175 HB3 GLU 40 HB3 GLU 40 -4.744 2.453 7.012 176 HG2 GLU 40 HG2 GLU 40 -5.039 0.851 8.937 177 HG3 GLU 40 HG3 GLU 40 -3.365 0.363 8.669 178 H LEU 41 H LEU 41 -4.768 -0.231 3.862 179 HA LEU 41 HA LEU 41 -6.273 2.094 2.896 180 HB2 LEU 41 HB2 LEU 41 -4.027 2.023 2.056 181 HB3 LEU 41 HB3 LEU 41 -4.208 0.357 1.552 182 HG LEU 41 HG LEU 41 -5.695 0.978 -0.227 183 HD11 LEU 41 HD11 LEU 41 -6.977 2.701 0.829 184 HD12 LEU 41 HD12 LEU 41 -6.235 3.373 -0.630 185 HD13 LEU 41 HD13 LEU 41 -5.555 3.745 0.955 186 HD21 LEU 41 HD21 LEU 41 -3.422 1.155 -0.848 187 HD22 LEU 41 HD22 LEU 41 -3.240 2.689 0.002 188 HD23 LEU 41 HD23 LEU 41 -4.211 2.608 -1.467 189 H ARG 42 H ARG 42 -8.062 1.863 1.677 190 HA ARG 42 HA ARG 42 -9.234 -0.773 1.515 191 HB2 ARG 42 HB2 ARG 42 -10.227 2.010 1.068 192 HB3 ARG 42 HB3 ARG 42 -11.100 0.674 0.336 193 HG2 ARG 42 HG2 ARG 42 -11.252 -0.314 2.667 194 HG3 ARG 42 HG3 ARG 42 -10.690 1.260 3.250 195 HD2 ARG 42 HD2 ARG 42 -12.546 2.356 2.120 196 HD3 ARG 42 HD3 ARG 42 -13.102 0.805 1.501 197 HE ARG 42 HE ARG 42 -12.939 0.814 4.352 198 HH11 ARG 42 HH11 ARG 42 -14.900 1.780 1.623 199 HH12 ARG 42 HH12 ARG 42 -16.377 1.848 2.544 200 HH21 ARG 42 HH22 ARG 42 -14.873 0.878 5.557 201 HH22 ARG 42 HH21 ARG 42 -16.357 1.329 4.780 202 H CYS 43 H CYS 43 -9.347 -2.004 -0.259 203 HA CYS 43 HA CYS 43 -8.821 -0.723 -2.852 204 HB2 CYS 43 HB2 CYS 43 -8.358 -2.968 -3.732 205 HB3 CYS 43 HB3 CYS 43 -7.310 -2.603 -2.367 206 HG CYS 43 HG CYS 43 -8.928 -4.109 -0.560 207 HA PRO 44 HA PRO 44 -13.193 -0.972 -3.481 208 HB2 PRO 44 HB3 PRO 44 -12.524 -0.546 -6.326 209 HB3 PRO 44 HB2 PRO 44 -13.491 0.451 -5.233 210 HG2 PRO 44 HG2 PRO 44 -11.066 1.242 -5.998 211 HG3 PRO 44 HG3 PRO 44 -11.620 1.506 -4.328 212 HD2 PRO 44 HD2 PRO 44 -9.820 -0.652 -5.404 213 HD3 PRO 44 HD3 PRO 44 -9.616 0.362 -3.956 214 H LYS 45 H LYS 45 -11.208 -3.389 -4.132 215 HA LYS 45 HA LYS 45 -12.824 -4.920 -5.965 216 HB2 LYS 45 HB2 LYS 45 -10.404 -5.359 -5.764 217 HB3 LYS 45 HB3 LYS 45 -10.618 -5.797 -4.074 218 HG2 LYS 45 HG2 LYS 45 -12.149 -7.634 -4.869 219 HG3 LYS 45 HG3 LYS 45 -11.607 -7.266 -6.506 220 HD2 LYS 45 HD2 LYS 45 -9.332 -7.797 -5.921 221 HD3 LYS 45 HD3 LYS 45 -9.777 -8.010 -4.226 222 HE2 LYS 45 HE2 LYS 45 -11.316 -9.851 -4.959 223 HE3 LYS 45 HE3 LYS 45 -10.616 -9.709 -6.571 224 HZ1 LYS 45 HZ1 LYS 45 -8.431 -10.208 -5.576 225 HZ2 LYS 45 HZ2 LYS 45 -9.539 -11.470 -5.381 226 HZ3 LYS 45 HZ3 LYS 45 -9.177 -10.451 -4.079 227 H CYS 46 H CYS 46 -12.797 -4.130 -2.661 228 HA CYS 46 HA CYS 46 -14.164 -4.589 -0.914 229 HB2 CYS 46 HB2 CYS 46 -15.775 -6.286 -2.828 230 HB3 CYS 46 HB3 CYS 46 -16.304 -5.669 -1.267 231 HG CYS 46 HG CYS 46 -16.550 -3.065 -2.005 232 H GLN 47 H GLN 47 -14.235 -7.635 -2.762 233 HA GLN 47 HA GLN 47 -13.737 -9.131 -0.348 234 HB2 GLN 47 HB2 GLN 47 -13.992 -10.080 -3.206 235 HB3 GLN 47 HB3 GLN 47 -13.998 -11.103 -1.773 236 HG2 GLN 47 HG2 GLN 47 -16.035 -8.976 -2.406 237 HG3 GLN 47 HG3 GLN 47 -16.252 -10.710 -2.646 238 HE21 GLN 47 HE22 GLN 47 -17.727 -8.793 -0.969 239 HE22 GLN 47 HE21 GLN 47 -17.669 -9.463 0.635 240 H ASN 48 H ASN 48 -11.709 -8.042 -0.006 241 HA ASN 48 HA ASN 48 -9.476 -9.651 -0.403 242 HB2 ASN 48 HB2 ASN 48 -9.836 -8.473 -2.765 243 HB3 ASN 48 HB3 ASN 48 -9.056 -7.121 -1.950 244 HD21 ASN 48 HD22 ASN 48 -6.896 -7.376 -1.203 245 HD22 ASN 48 HD21 ASN 48 -5.872 -8.611 -1.858 246 H ASN 49 H ASN 49 -10.957 -6.601 0.142 247 HA ASN 49 HA ASN 49 -10.881 -5.133 1.850 248 HB2 ASN 49 HB2 ASN 49 -10.423 -7.263 3.214 249 HB3 ASN 49 HB3 ASN 49 -8.738 -6.757 3.202 250 HD21 ASN 49 HD22 ASN 49 -10.426 -7.062 5.473 251 HD22 ASN 49 HD21 ASN 49 -10.523 -5.510 6.235 252 H SER 50 H SER 50 -7.503 -6.218 1.907 253 HA SER 50 HA SER 50 -6.707 -3.419 1.478 254 HB2 SER 50 HB2 SER 50 -5.079 -5.669 2.681 255 HB3 SER 50 HB3 SER 50 -4.704 -3.946 2.712 256 HG SER 50 HG SER 50 -6.600 -3.655 3.988 257 H ILE 51 H ILE 51 -4.622 -3.119 0.307 258 HA ILE 51 HA ILE 51 -4.500 -4.833 -2.049 259 HB ILE 51 HB ILE 51 -2.816 -3.200 -2.876 260 HG12 ILE 51 HG12 ILE 51 -3.535 -1.597 -0.411 261 HG13 ILE 51 HG13 ILE 51 -2.020 -2.465 -0.633 262 HG21 ILE 51 HG21 ILE 51 -4.961 -2.813 -3.676 263 HG22 ILE 51 HG22 ILE 51 -4.478 -1.249 -3.015 264 HG23 ILE 51 HG23 ILE 51 -5.562 -2.297 -2.099 265 HD11 ILE 51 HD11 ILE 51 -3.012 -0.223 -2.378 266 HD12 ILE 51 HD12 ILE 51 -1.469 -1.066 -2.527 267 HD13 ILE 51 HD13 ILE 51 -1.800 -0.079 -1.103 268 H ALA 52 H ALA 52 -3.288 -5.123 0.915 269 HA ALA 52 HA ALA 52 -0.529 -5.282 0.782 270 HB1 ALA 52 HB1 ALA 52 -2.415 -6.967 2.417 271 HB2 ALA 52 HB2 ALA 52 -1.745 -5.399 2.862 272 HB3 ALA 52 HB3 ALA 52 -0.683 -6.797 2.707 273 H ASP 53 H ASP 53 -2.866 -7.919 0.318 274 HA ASP 53 HA ASP 53 -0.917 -9.127 -1.536 275 HB2 ASP 53 HB2 ASP 53 -2.498 -10.387 0.628 276 HB3 ASP 53 HB3 ASP 53 -2.473 -11.256 -0.902 277 H SER 54 H SER 54 -1.820 -7.938 -3.201 278 HA SER 54 HA SER 54 -4.643 -8.470 -3.797 279 HB2 SER 54 HB2 SER 54 -4.366 -6.365 -5.235 280 HB3 SER 54 HB3 SER 54 -4.359 -6.151 -3.484 281 HG SER 54 HG SER 54 -2.248 -5.722 -3.516 282 H ASN 55 H ASN 55 -5.267 -8.916 -5.922 283 HA ASN 55 HA ASN 55 -3.249 -10.402 -7.415 284 HB2 ASN 55 HB2 ASN 55 -6.150 -10.250 -8.180 285 HB3 ASN 55 HB3 ASN 55 -5.017 -11.583 -8.384 286 HD21 ASN 55 HD22 ASN 55 -4.644 -12.983 -6.671 287 HD22 ASN 55 HD21 ASN 55 -5.659 -13.014 -5.266 288 H SER 56 H SER 56 -4.387 -7.299 -7.431 289 HA SER 56 HA SER 56 -4.767 -7.099 -10.311 290 HB2 SER 56 HB2 SER 56 -6.384 -5.964 -8.899 291 HB3 SER 56 HB3 SER 56 -5.100 -5.042 -8.122 292 HG SER 56 HG SER 56 -6.448 -4.372 -10.259 293 H MET 57 H MET 57 -3.452 -6.111 -11.668 294 HA MET 57 HA MET 57 -0.732 -5.732 -11.152 295 HB2 MET 57 HB2 MET 57 -2.068 -4.199 -13.341 296 HB3 MET 57 HB3 MET 57 -0.552 -5.084 -13.372 297 HG2 MET 57 HG2 MET 57 -1.572 -6.785 -14.321 298 HG3 MET 57 HG3 MET 57 -2.621 -6.940 -12.914 299 HE1 MET 57 HE1 MET 57 -5.643 -4.662 -13.868 300 HE2 MET 57 HE2 MET 57 -4.298 -4.525 -12.727 301 HE3 MET 57 HE3 MET 57 -5.203 -6.039 -12.858 302 H ILE 58 H ILE 58 -3.444 -3.518 -11.303 303 HA ILE 58 HA ILE 58 -1.854 -1.170 -10.957 304 HB ILE 58 HB ILE 58 -3.704 -0.039 -11.541 305 HG12 ILE 58 HG12 ILE 58 -6.048 -0.751 -10.601 306 HG13 ILE 58 HG13 ILE 58 -5.084 -1.631 -9.420 307 HG21 ILE 58 HG21 ILE 58 -4.600 -2.866 -12.019 308 HG22 ILE 58 HG22 ILE 58 -3.883 -1.724 -13.160 309 HG23 ILE 58 HG23 ILE 58 -5.526 -1.466 -12.573 310 HD11 ILE 58 HD11 ILE 58 -5.195 1.325 -9.922 311 HD12 ILE 58 HD12 ILE 58 -3.884 0.564 -9.016 312 HD13 ILE 58 HD13 ILE 58 -5.549 0.444 -8.433 313 H ALA 59 H ALA 59 -3.641 -3.341 -8.866 314 HA ALA 59 HA ALA 59 -3.517 -1.861 -6.467 315 HB1 ALA 59 HB1 ALA 59 -4.908 -3.810 -6.617 316 HB2 ALA 59 HB2 ALA 59 -3.695 -4.107 -5.371 317 HB3 ALA 59 HB3 ALA 59 -3.519 -4.836 -6.967 318 H THR 60 H THR 60 -1.240 -3.943 -8.127 319 HA THR 60 HA THR 60 0.817 -3.802 -6.151 320 HB THR 60 HB THR 60 0.938 -4.502 -9.090 321 HG1 THR 60 HG1 THR 60 0.008 -6.257 -8.367 322 HG21 THR 60 HG21 THR 60 3.106 -3.796 -8.155 323 HG22 THR 60 HG22 THR 60 3.090 -5.501 -8.608 324 HG23 THR 60 HG23 THR 60 2.958 -5.037 -6.911 325 H ASP 61 H ASP 61 0.058 -2.078 -9.118 326 HA ASP 61 HA ASP 61 2.187 -0.357 -9.401 327 HB2 ASP 61 HB2 ASP 61 -0.026 -0.563 -10.779 328 HB3 ASP 61 HB3 ASP 61 -0.640 0.640 -9.658 329 H LEU 62 H LEU 62 -0.708 0.096 -7.424 330 HA LEU 62 HA LEU 62 0.007 2.563 -6.267 331 HB2 LEU 62 HB2 LEU 62 -1.742 0.381 -5.128 332 HB3 LEU 62 HB3 LEU 62 -1.746 2.058 -4.637 333 HG LEU 62 HG LEU 62 -2.579 1.027 -7.343 334 HD11 LEU 62 HD11 LEU 62 -4.075 0.481 -5.422 335 HD12 LEU 62 HD12 LEU 62 -4.812 1.486 -6.669 336 HD13 LEU 62 HD13 LEU 62 -4.270 2.213 -5.156 337 HD21 LEU 62 HD21 LEU 62 -3.312 3.297 -7.774 338 HD22 LEU 62 HD22 LEU 62 -1.585 3.270 -7.417 339 HD23 LEU 62 HD23 LEU 62 -2.729 3.808 -6.189 340 H ARG 63 H ARG 63 0.706 -0.756 -5.367 341 HA ARG 63 HA ARG 63 1.672 -0.198 -2.770 342 HB2 ARG 63 HB2 ARG 63 2.020 -2.528 -4.630 343 HB3 ARG 63 HB3 ARG 63 2.850 -2.461 -3.080 344 HG2 ARG 63 HG2 ARG 63 0.618 -2.138 -1.998 345 HG3 ARG 63 HG3 ARG 63 -0.116 -2.457 -3.569 346 HD2 ARG 63 HD2 ARG 63 1.794 -4.353 -2.237 347 HD3 ARG 63 HD3 ARG 63 0.051 -4.416 -1.975 348 HE ARG 63 HE ARG 63 0.515 -4.440 -4.735 349 HH11 ARG 63 HH11 ARG 63 1.041 -6.506 -1.960 350 HH12 ARG 63 HH12 ARG 63 1.075 -7.973 -2.891 351 HH21 ARG 63 HH22 ARG 63 0.549 -6.388 -5.973 352 HH22 ARG 63 HH21 ARG 63 0.786 -7.900 -5.152 353 H GLN 64 H GLN 64 3.135 -0.035 -5.926 354 HA GLN 64 HA GLN 64 5.827 0.147 -5.106 355 HB2 GLN 64 HB2 GLN 64 4.482 1.425 -7.483 356 HB3 GLN 64 HB3 GLN 64 6.217 1.274 -7.261 357 HG2 GLN 64 HG2 GLN 64 5.937 -1.191 -7.225 358 HG3 GLN 64 HG3 GLN 64 4.234 -0.959 -7.612 359 HE21 GLN 64 HE22 GLN 64 4.431 -2.076 -9.546 360 HE22 GLN 64 HE21 GLN 64 5.247 -1.418 -10.920 361 H LYS 65 H LYS 65 3.220 2.494 -5.292 362 HA LYS 65 HA LYS 65 4.708 4.803 -4.705 363 HB2 LYS 65 HB2 LYS 65 2.387 4.887 -5.463 364 HB3 LYS 65 HB3 LYS 65 1.854 4.144 -3.963 365 HG2 LYS 65 HG2 LYS 65 1.419 6.362 -3.535 366 HG3 LYS 65 HG3 LYS 65 3.044 6.202 -2.879 367 HD2 LYS 65 HD2 LYS 65 2.776 6.954 -5.740 368 HD3 LYS 65 HD3 LYS 65 2.412 8.177 -4.518 369 HE2 LYS 65 HE2 LYS 65 4.562 8.121 -3.652 370 HE3 LYS 65 HE3 LYS 65 4.917 6.560 -4.378 371 HZ1 LYS 65 HZ1 LYS 65 5.448 7.487 -6.351 372 HZ2 LYS 65 HZ2 LYS 65 5.817 8.822 -5.373 373 HZ3 LYS 65 HZ3 LYS 65 4.336 8.763 -6.197 374 H VAL 66 H VAL 66 3.060 2.461 -2.651 375 HA VAL 66 HA VAL 66 3.588 3.515 -0.148 376 HB VAL 66 HB VAL 66 3.417 0.615 -0.994 377 HG11 VAL 66 HG11 VAL 66 4.629 1.049 1.178 378 HG12 VAL 66 HG12 VAL 66 3.216 -0.001 1.266 379 HG13 VAL 66 HG13 VAL 66 3.103 1.678 1.794 380 HG21 VAL 66 HG21 VAL 66 1.144 0.757 -0.131 381 HG22 VAL 66 HG22 VAL 66 1.404 1.933 -1.417 382 HG23 VAL 66 HG23 VAL 66 1.391 2.459 0.265 383 H TYR 67 H TYR 67 5.675 1.536 -2.215 384 HA TYR 67 HA TYR 67 7.754 1.277 -0.290 385 HB2 TYR 67 HB2 TYR 67 7.552 -0.299 -2.153 386 HB3 TYR 67 HB3 TYR 67 7.869 0.998 -3.301 387 HD1 TYR 67 HD1 TYR 67 9.406 -0.724 -0.372 388 HD2 TYR 67 HD2 TYR 67 10.046 1.384 -4.012 389 HE1 TYR 67 HE1 TYR 67 11.817 -1.159 -0.189 390 HE2 TYR 67 HE2 TYR 67 12.462 0.957 -3.840 391 HH TYR 67 HH TYR 67 13.782 -1.254 -1.548 392 H GLU 68 H GLU 68 7.306 3.463 -3.090 393 HA GLU 68 HA GLU 68 9.688 4.897 -2.846 394 HB2 GLU 68 HB2 GLU 68 6.997 5.996 -3.666 395 HB3 GLU 68 HB3 GLU 68 8.557 6.736 -3.995 396 HG2 GLU 68 HG2 GLU 68 9.131 4.646 -5.282 397 HG3 GLU 68 HG3 GLU 68 7.432 4.202 -5.131 398 H LEU 69 H LEU 69 6.563 5.469 -1.301 399 HA LEU 69 HA LEU 69 7.217 7.889 -0.052 400 HB2 LEU 69 HB2 LEU 69 5.210 5.761 0.639 401 HB3 LEU 69 HB3 LEU 69 5.288 7.307 1.454 402 HG LEU 69 HG LEU 69 4.718 6.869 -1.476 403 HD11 LEU 69 HD11 LEU 69 2.941 6.348 0.269 404 HD12 LEU 69 HD12 LEU 69 2.509 7.474 -1.010 405 HD13 LEU 69 HD13 LEU 69 2.921 8.077 0.595 406 HD21 LEU 69 HD21 LEU 69 4.598 9.182 -1.753 407 HD22 LEU 69 HD22 LEU 69 6.054 8.954 -0.785 408 HD23 LEU 69 HD23 LEU 69 4.557 9.482 -0.017 409 H MET 70 H MET 70 7.823 4.581 0.896 410 HA MET 70 HA MET 70 8.491 4.954 3.588 411 HB2 MET 70 HB2 MET 70 9.789 3.068 1.605 412 HB3 MET 70 HB3 MET 70 9.941 2.967 3.350 413 HG2 MET 70 HG2 MET 70 7.573 2.502 3.551 414 HG3 MET 70 HG3 MET 70 7.383 2.651 1.803 415 HE1 MET 70 HE1 MET 70 6.898 -1.132 2.163 416 HE2 MET 70 HE2 MET 70 6.227 0.423 1.673 417 HE3 MET 70 HE3 MET 70 6.396 0.038 3.385 418 H GLN 71 H GLN 71 10.551 5.122 0.685 419 HA GLN 71 HA GLN 71 12.853 5.849 2.245 420 HB2 GLN 71 HB2 GLN 71 13.905 6.162 -0.062 421 HB3 GLN 71 HB3 GLN 71 13.375 4.542 0.369 422 HG2 GLN 71 HG2 GLN 71 11.453 4.713 -1.001 423 HG3 GLN 71 HG3 GLN 71 11.715 6.435 -1.265 424 HE21 GLN 71 HE22 GLN 71 12.707 3.221 -2.080 425 HE22 GLN 71 HE21 GLN 71 13.669 3.639 -3.453 426 H GLU 72 H GLU 72 10.286 7.549 0.704 427 HA GLU 72 HA GLU 72 11.624 10.063 0.539 428 HB2 GLU 72 HB2 GLU 72 8.679 9.431 0.790 429 HB3 GLU 72 HB3 GLU 72 9.326 11.041 0.515 430 HG2 GLU 72 HG2 GLU 72 10.416 10.087 -1.564 431 HG3 GLU 72 HG3 GLU 72 9.391 8.674 -1.309 432 H GLY 73 H GLY 73 9.962 8.297 3.056 433 HA2 GLY 73 HA2 GLY 73 10.575 8.625 5.340 434 HA3 GLY 73 HA3 GLY 73 10.941 10.305 4.970 435 H LYS 74 H LYS 74 8.059 8.767 3.773 436 HA LYS 74 HA LYS 74 6.366 10.697 5.041 437 HB2 LYS 74 HB2 LYS 74 5.527 8.101 3.747 438 HB3 LYS 74 HB3 LYS 74 4.539 9.525 4.008 439 HG2 LYS 74 HG2 LYS 74 6.965 9.562 2.232 440 HG3 LYS 74 HG3 LYS 74 5.353 9.133 1.655 441 HD2 LYS 74 HD2 LYS 74 4.768 11.268 1.516 442 HD3 LYS 74 HD3 LYS 74 5.241 11.558 3.192 443 HE2 LYS 74 HE2 LYS 74 7.245 11.407 0.976 444 HE3 LYS 74 HE3 LYS 74 6.420 12.915 1.373 445 HZ1 LYS 74 HZ1 LYS 74 7.279 12.654 3.665 446 HZ2 LYS 74 HZ2 LYS 74 8.507 12.838 2.508 447 HZ3 LYS 74 HZ3 LYS 74 8.170 11.310 3.151 448 H SER 75 H SER 75 4.640 10.132 6.510 449 HA SER 75 HA SER 75 5.446 8.177 8.510 450 HB2 SER 75 HB2 SER 75 3.158 10.161 8.518 451 HB3 SER 75 HB3 SER 75 3.690 9.191 9.892 452 HG SER 75 HG SER 75 5.806 10.278 9.544 453 H LYS 76 H LYS 76 3.516 6.829 9.458 454 HA LYS 76 HA LYS 76 2.830 5.021 7.451 455 HB2 LYS 76 HB2 LYS 76 2.044 5.392 10.275 456 HB3 LYS 76 HB3 LYS 76 0.987 4.391 9.290 457 HG2 LYS 76 HG2 LYS 76 2.549 2.969 10.370 458 HG3 LYS 76 HG3 LYS 76 2.964 3.022 8.665 459 HD2 LYS 76 HD2 LYS 76 4.309 4.906 10.539 460 HD3 LYS 76 HD3 LYS 76 4.816 3.220 10.520 461 HE2 LYS 76 HE2 LYS 76 5.224 3.401 8.102 462 HE3 LYS 76 HE3 LYS 76 4.770 5.104 8.158 463 HZ1 LYS 76 HZ1 LYS 76 7.156 4.902 8.244 464 HZ2 LYS 76 HZ2 LYS 76 7.063 3.833 9.560 465 HZ3 LYS 76 HZ3 LYS 76 6.600 5.454 9.749 466 H LYS 77 H LYS 77 0.665 7.304 9.117 467 HA LYS 77 HA LYS 77 -1.541 6.778 7.388 468 HB2 LYS 77 HB2 LYS 77 -1.129 9.279 9.027 469 HB3 LYS 77 HB3 LYS 77 -2.653 8.559 8.515 470 HG2 LYS 77 HG2 LYS 77 -0.709 7.481 10.530 471 HG3 LYS 77 HG3 LYS 77 -2.339 8.092 10.838 472 HD2 LYS 77 HD2 LYS 77 -3.286 6.258 9.537 473 HD3 LYS 77 HD3 LYS 77 -1.667 5.665 9.168 474 HE2 LYS 77 HE2 LYS 77 -2.492 4.308 10.922 475 HE3 LYS 77 HE3 LYS 77 -1.326 5.410 11.656 476 HZ1 LYS 77 HZ1 LYS 77 -3.207 5.341 13.056 477 HZ2 LYS 77 HZ2 LYS 77 -4.283 5.565 11.766 478 HZ3 LYS 77 HZ3 LYS 77 -3.277 6.835 12.256 479 H GLU 78 H GLU 78 1.121 8.992 7.380 480 HA GLU 78 HA GLU 78 0.260 10.742 5.366 481 HB2 GLU 78 HB2 GLU 78 2.195 11.207 6.760 482 HB3 GLU 78 HB3 GLU 78 3.060 9.842 6.067 483 HG2 GLU 78 HG2 GLU 78 3.855 11.904 5.122 484 HG3 GLU 78 HG3 GLU 78 3.037 10.946 3.888 485 H ILE 79 H ILE 79 2.016 7.632 5.125 486 HA ILE 79 HA ILE 79 2.366 7.649 2.347 487 HB ILE 79 HB ILE 79 2.178 5.423 4.347 488 HG12 ILE 79 HG12 ILE 79 4.350 5.012 2.699 489 HG13 ILE 79 HG13 ILE 79 4.225 6.765 2.729 490 HG21 ILE 79 HG21 ILE 79 0.957 4.937 2.055 491 HG22 ILE 79 HG22 ILE 79 1.983 3.721 2.822 492 HG23 ILE 79 HG23 ILE 79 2.611 4.696 1.493 493 HD11 ILE 79 HD11 ILE 79 4.365 5.036 5.190 494 HD12 ILE 79 HD12 ILE 79 4.499 6.792 5.111 495 HD13 ILE 79 HD13 ILE 79 5.763 5.781 4.419 496 H VAL 80 H VAL 80 -0.340 6.297 4.263 497 HA VAL 80 HA VAL 80 -1.779 5.502 1.948 498 HB VAL 80 HB VAL 80 -2.282 4.293 3.914 499 HG11 VAL 80 HG11 VAL 80 -3.005 6.904 5.217 500 HG12 VAL 80 HG12 VAL 80 -1.616 5.888 5.600 501 HG13 VAL 80 HG13 VAL 80 -3.249 5.310 5.930 502 HG21 VAL 80 HG21 VAL 80 -4.190 4.639 2.474 503 HG22 VAL 80 HG22 VAL 80 -4.563 6.139 3.323 504 HG23 VAL 80 HG23 VAL 80 -4.704 4.593 4.162 505 H ASP 81 H ASP 81 -1.816 8.397 3.945 506 HA ASP 81 HA ASP 81 -4.060 9.621 2.736 507 HB2 ASP 81 HB2 ASP 81 -3.159 10.449 4.833 508 HB3 ASP 81 HB3 ASP 81 -1.631 10.847 4.060 509 H TYR 82 H TYR 82 -0.636 9.603 1.990 510 HA TYR 82 HA TYR 82 -0.597 11.355 -0.202 511 HB2 TYR 82 HB2 TYR 82 1.347 10.112 1.036 512 HB3 TYR 82 HB3 TYR 82 1.015 8.824 -0.105 513 HD1 TYR 82 HD2 TYR 82 1.109 9.401 -2.611 514 HD2 TYR 82 HD1 TYR 82 2.733 11.862 0.439 515 HE1 TYR 82 HE2 TYR 82 2.506 10.537 -4.289 516 HE2 TYR 82 HE1 TYR 82 4.128 13.024 -1.223 517 HH TYR 82 HH TYR 82 5.070 12.632 -3.443 518 H MET 83 H MET 83 -1.172 7.901 0.048 519 HA MET 83 HA MET 83 -1.627 7.284 -2.629 520 HB2 MET 83 HB2 MET 83 -2.921 6.112 -0.161 521 HB3 MET 83 HB3 MET 83 -2.963 5.387 -1.759 522 HG2 MET 83 HG2 MET 83 -0.435 5.947 -0.243 523 HG3 MET 83 HG3 MET 83 -1.297 4.412 -0.199 524 HE1 MET 83 HE1 MET 83 -1.703 2.900 -2.401 525 HE2 MET 83 HE2 MET 83 -1.126 3.370 -3.999 526 HE3 MET 83 HE3 MET 83 -2.384 4.316 -3.202 527 H VAL 84 H VAL 84 -4.002 8.108 -0.105 528 HA VAL 84 HA VAL 84 -6.201 7.981 -1.889 529 HB VAL 84 HB VAL 84 -7.552 8.954 -0.087 530 HG11 VAL 84 HG11 VAL 84 -5.613 6.970 1.059 531 HG12 VAL 84 HG12 VAL 84 -6.837 6.546 -0.137 532 HG13 VAL 84 HG13 VAL 84 -7.324 7.163 1.442 533 HG21 VAL 84 HG21 VAL 84 -6.631 9.610 2.024 534 HG22 VAL 84 HG22 VAL 84 -5.832 10.554 0.774 535 HG23 VAL 84 HG23 VAL 84 -5.002 9.187 1.504 536 H ALA 85 H ALA 85 -4.061 10.561 -0.964 537 HA ALA 85 HA ALA 85 -5.692 12.703 -1.869 538 HB1 ALA 85 HB1 ALA 85 -3.466 13.944 -1.853 539 HB2 ALA 85 HB2 ALA 85 -2.762 12.435 -1.260 540 HB3 ALA 85 HB3 ALA 85 -4.019 13.254 -0.328 541 H ARG 86 H ARG 86 -3.214 10.711 -3.428 542 HA ARG 86 HA ARG 86 -3.490 12.293 -5.885 543 HB2 ARG 86 HB2 ARG 86 -1.440 10.378 -4.864 544 HB3 ARG 86 HB3 ARG 86 -1.589 10.606 -6.600 545 HG2 ARG 86 HG2 ARG 86 0.127 12.052 -5.790 546 HG3 ARG 86 HG3 ARG 86 -1.261 13.046 -6.233 547 HD2 ARG 86 HD2 ARG 86 -1.941 12.996 -3.824 548 HD3 ARG 86 HD3 ARG 86 -0.401 12.219 -3.472 549 HE ARG 86 HE ARG 86 0.634 14.280 -4.484 550 HH11 ARG 86 HH11 ARG 86 -2.536 14.361 -3.013 551 HH12 ARG 86 HH12 ARG 86 -2.420 16.024 -2.528 552 HH21 ARG 86 HH22 ARG 86 0.776 16.492 -3.890 553 HH22 ARG 86 HH21 ARG 86 -0.543 17.228 -3.027 554 H TYR 87 H TYR 87 -3.807 8.979 -4.720 555 HA TYR 87 HA TYR 87 -4.811 8.146 -7.348 556 HB2 TYR 87 HB2 TYR 87 -3.744 6.514 -5.042 557 HB3 TYR 87 HB3 TYR 87 -4.279 5.862 -6.584 558 HD1 TYR 87 HD2 TYR 87 -3.049 6.838 -8.695 559 HD2 TYR 87 HD1 TYR 87 -1.488 6.999 -4.735 560 HE1 TYR 87 HE2 TYR 87 -0.787 7.137 -9.605 561 HE2 TYR 87 HE1 TYR 87 0.790 7.302 -5.635 562 HH TYR 87 HH TYR 87 1.374 8.044 -8.916 563 H GLY 88 H GLY 88 -6.492 9.603 -5.537 564 HA2 GLY 88 HA2 GLY 88 -7.988 7.874 -3.866 565 HA3 GLY 88 HA3 GLY 88 -8.445 9.505 -4.335 566 H ASN 89 H ASN 89 -8.030 7.984 -7.199 567 HA ASN 89 HA ASN 89 -10.858 7.380 -7.442 568 HB2 ASN 89 HB2 ASN 89 -8.618 7.476 -9.462 569 HB3 ASN 89 HB3 ASN 89 -10.234 6.915 -9.870 570 HD21 ASN 89 HD22 ASN 89 -8.831 9.138 -10.974 571 HD22 ASN 89 HD21 ASN 89 -9.768 10.556 -10.627 572 H PHE 90 H PHE 90 -8.058 5.751 -6.657 573 HA PHE 90 HA PHE 90 -9.291 3.161 -7.329 574 HB2 PHE 90 HB2 PHE 90 -6.333 3.793 -7.386 575 HB3 PHE 90 HB3 PHE 90 -7.063 2.230 -7.730 576 HD1 PHE 90 HD2 PHE 90 -8.540 2.004 -9.751 577 HD2 PHE 90 HD1 PHE 90 -6.112 5.424 -9.044 578 HE1 PHE 90 HE2 PHE 90 -8.722 2.615 -12.124 579 HE2 PHE 90 HE1 PHE 90 -6.290 6.045 -11.419 580 HZ PHE 90 HZ PHE 90 -7.595 4.638 -12.963 581 H VAL 91 H VAL 91 -7.903 5.186 -4.973 582 HA VAL 91 HA VAL 91 -7.816 2.949 -3.068 583 HB VAL 91 HB VAL 91 -5.759 3.468 -2.280 584 HG11 VAL 91 HG11 VAL 91 -5.446 5.116 -4.779 585 HG12 VAL 91 HG12 VAL 91 -5.511 3.344 -4.778 586 HG13 VAL 91 HG13 VAL 91 -4.211 4.177 -3.924 587 HG21 VAL 91 HG21 VAL 91 -6.449 5.567 -1.299 588 HG22 VAL 91 HG22 VAL 91 -6.286 6.369 -2.862 589 HG23 VAL 91 HG23 VAL 91 -4.858 5.731 -2.047 590 H THR 92 H THR 92 -8.371 3.511 -0.875 591 HA THR 92 HA THR 92 -9.286 6.212 -0.339 592 HB THR 92 HB THR 92 -11.174 3.843 -0.229 593 HG1 THR 92 HG1 THR 92 -10.660 5.648 -2.131 594 HG21 THR 92 HG21 THR 92 -11.395 5.401 1.716 595 HG22 THR 92 HG22 THR 92 -12.830 5.329 0.687 596 HG23 THR 92 HG23 THR 92 -11.728 6.703 0.573 597 H TYR 93 H TYR 93 -9.100 6.757 1.799 598 HA TYR 93 HA TYR 93 -8.036 4.680 3.568 599 HB2 TYR 93 HB2 TYR 93 -6.749 6.792 3.274 600 HB3 TYR 93 HB3 TYR 93 -8.103 7.680 3.964 601 HD1 TYR 93 HD1 TYR 93 -7.044 4.379 5.195 602 HD2 TYR 93 HD2 TYR 93 -6.843 8.581 5.839 603 HE1 TYR 93 HE1 TYR 93 -6.109 3.984 7.432 604 HE2 TYR 93 HE2 TYR 93 -5.910 8.194 8.083 605 HH TYR 93 HH TYR 93 -4.876 5.041 9.133 606 H ASP 94 H ASP 94 -9.522 3.643 4.633 607 HA ASP 94 HA ASP 94 -11.435 4.990 6.313 608 HB2 ASP 94 HB2 ASP 94 -12.205 3.914 3.707 609 HB3 ASP 94 HB3 ASP 94 -13.089 3.154 5.022 610 HA PRO 95 HA PRO 95 -11.121 1.154 8.726 611 HB2 PRO 95 HB3 PRO 95 -13.909 0.726 8.950 612 HB3 PRO 95 HB2 PRO 95 -12.872 1.530 10.129 613 HG2 PRO 95 HG2 PRO 95 -14.650 2.701 8.062 614 HG3 PRO 95 HG3 PRO 95 -14.210 3.329 9.661 615 HD2 PRO 95 HD2 PRO 95 -13.179 4.363 7.413 616 HD3 PRO 95 HD3 PRO 95 -12.212 4.225 8.897 617 HA PRO 96 HA PRO 96 -11.299 -1.487 5.309 618 HB2 PRO 96 HB3 PRO 96 -10.957 -3.849 6.934 619 HB3 PRO 96 HB2 PRO 96 -9.756 -2.972 5.995 620 HG2 PRO 96 HG2 PRO 96 -9.778 -3.085 8.721 621 HG3 PRO 96 HG3 PRO 96 -9.022 -1.791 7.775 622 HD2 PRO 96 HD2 PRO 96 -11.646 -1.836 9.184 623 HD3 PRO 96 HD3 PRO 96 -10.468 -0.519 9.003 624 H LEU 97 H LEU 97 -12.100 -3.886 4.775 625 HA LEU 97 HA LEU 97 -14.963 -3.790 4.865 626 HB2 LEU 97 HB2 LEU 97 -13.003 -5.807 3.809 627 HB3 LEU 97 HB3 LEU 97 -14.732 -6.073 3.744 628 HG LEU 97 HG LEU 97 -14.026 -5.289 1.599 629 HD11 LEU 97 HD11 LEU 97 -15.395 -3.084 3.125 630 HD12 LEU 97 HD12 LEU 97 -16.166 -4.452 2.321 631 HD13 LEU 97 HD13 LEU 97 -15.335 -3.223 1.368 632 HD21 LEU 97 HD21 LEU 97 -11.924 -4.229 2.248 633 HD22 LEU 97 HD22 LEU 97 -12.817 -2.904 2.994 634 HD23 LEU 97 HD23 LEU 97 -12.904 -3.156 1.249 635 H THR 98 H THR 98 -13.021 -4.414 7.226 636 HA THR 98 HA THR 98 -13.698 -6.905 8.296 637 HB THR 98 HB THR 98 -11.817 -5.443 9.084 638 HG1 THR 98 HG1 THR 98 -13.482 -5.990 11.308 639 HG21 THR 98 HG21 THR 98 -12.963 -3.302 9.173 640 HG22 THR 98 HG22 THR 98 -12.298 -3.707 10.756 641 HG23 THR 98 HG23 THR 98 -14.024 -3.899 10.448 642 HA PRO 99 HA PRO 99 -17.951 -6.284 9.480 643 HB2 PRO 99 HB3 PRO 99 -18.035 -8.136 11.510 644 HB3 PRO 99 HB2 PRO 99 -18.181 -8.534 9.793 645 HG2 PRO 99 HG2 PRO 99 -15.800 -8.719 11.588 646 HG3 PRO 99 HG3 PRO 99 -16.337 -9.830 10.315 647 HD2 PRO 99 HD2 PRO 99 -14.317 -8.084 9.943 648 HD3 PRO 99 HD3 PRO 99 -15.420 -8.546 8.631 Start of MODEL 10 1 H THR 19 H1 THR 19 14.366 -7.952 -15.612 2 HA THR 19 HA THR 19 12.789 -6.194 -15.008 3 HB THR 19 HB THR 19 11.316 -8.423 -16.403 4 HG1 THR 19 HG1 THR 19 12.593 -8.103 -18.193 5 HG21 THR 19 HG21 THR 19 10.159 -6.274 -16.148 6 HG22 THR 19 HG22 THR 19 10.550 -6.582 -17.840 7 HG23 THR 19 HG23 THR 19 11.520 -5.444 -16.904 8 H ILE 20 H ILE 20 12.652 -6.669 -12.619 9 HA ILE 20 HA ILE 20 9.885 -7.290 -11.978 10 HB ILE 20 HB ILE 20 11.278 -9.408 -11.724 11 HG12 ILE 20 HG12 ILE 20 9.109 -8.729 -10.409 12 HG13 ILE 20 HG13 ILE 20 10.003 -10.174 -9.960 13 HG21 ILE 20 HG21 ILE 20 12.482 -7.879 -9.433 14 HG22 ILE 20 HG22 ILE 20 13.312 -8.425 -10.890 15 HG23 ILE 20 HG23 ILE 20 12.690 -9.605 -9.736 16 HD11 ILE 20 HD11 ILE 20 9.277 -8.888 -8.018 17 HD12 ILE 20 HD12 ILE 20 10.196 -7.495 -8.594 18 HD13 ILE 20 HD13 ILE 20 11.036 -8.973 -8.118 19 H ASP 21 H ASP 21 9.311 -6.416 -9.857 20 HA ASP 21 HA ASP 21 10.136 -3.832 -9.501 21 HB2 ASP 21 HB2 ASP 21 8.699 -5.760 -7.733 22 HB3 ASP 21 HB3 ASP 21 9.177 -4.190 -7.090 23 H VAL 22 H VAL 22 11.573 -2.756 -8.372 24 HA VAL 22 HA VAL 22 13.884 -4.237 -7.388 25 HB VAL 22 HB VAL 22 14.112 -2.382 -9.038 26 HG11 VAL 22 HG11 VAL 22 12.282 -1.010 -7.869 27 HG12 VAL 22 HG12 VAL 22 13.671 -0.150 -8.540 28 HG13 VAL 22 HG13 VAL 22 13.579 -0.456 -6.806 29 HG21 VAL 22 HG21 VAL 22 16.018 -3.023 -7.677 30 HG22 VAL 22 HG22 VAL 22 15.485 -1.930 -6.397 31 HG23 VAL 22 HG23 VAL 22 16.017 -1.280 -7.951 32 H LEU 23 H LEU 23 11.494 -4.228 -5.833 33 HA LEU 23 HA LEU 23 11.659 -2.233 -3.794 34 HB2 LEU 23 HB2 LEU 23 10.108 -4.809 -3.646 35 HB3 LEU 23 HB3 LEU 23 9.794 -3.314 -2.785 36 HG LEU 23 HG LEU 23 9.236 -3.989 -5.655 37 HD11 LEU 23 HD11 LEU 23 7.568 -2.607 -3.570 38 HD12 LEU 23 HD12 LEU 23 7.536 -4.343 -3.881 39 HD13 LEU 23 HD13 LEU 23 7.038 -3.212 -5.140 40 HD21 LEU 23 HD21 LEU 23 10.073 -1.975 -6.226 41 HD22 LEU 23 HD22 LEU 23 10.000 -1.351 -4.579 42 HD23 LEU 23 HD23 LEU 23 8.544 -1.390 -5.571 43 H GLN 24 H GLN 24 13.458 -2.257 -2.615 44 HA GLN 24 HA GLN 24 14.494 -4.803 -1.601 45 HB2 GLN 24 HB2 GLN 24 15.708 -2.056 -1.848 46 HB3 GLN 24 HB3 GLN 24 16.498 -3.377 -1.002 47 HG2 GLN 24 HG2 GLN 24 15.632 -3.579 -3.866 48 HG3 GLN 24 HG3 GLN 24 17.216 -2.970 -3.385 49 HE21 GLN 24 HE22 GLN 24 18.714 -4.366 -2.504 50 HE22 GLN 24 HE21 GLN 24 18.544 -6.088 -2.599 51 H PHE 25 H PHE 25 13.251 -5.233 0.197 52 HA PHE 25 HA PHE 25 13.019 -3.193 2.258 53 HB2 PHE 25 HB2 PHE 25 12.116 -6.083 2.320 54 HB3 PHE 25 HB3 PHE 25 11.697 -4.837 3.503 55 HD1 PHE 25 HD1 PHE 25 10.309 -2.883 2.746 56 HD2 PHE 25 HD2 PHE 25 10.864 -6.357 0.353 57 HE1 PHE 25 HE1 PHE 25 8.319 -2.287 1.429 58 HE2 PHE 25 HE2 PHE 25 8.877 -5.766 -0.973 59 HZ PHE 25 HZ PHE 25 7.642 -3.701 -0.482 60 H LYS 26 H LYS 26 14.356 -2.917 3.779 61 HA LYS 26 HA LYS 26 16.875 -3.903 3.981 62 HB2 LYS 26 HB2 LYS 26 16.760 -2.085 5.305 63 HB3 LYS 26 HB3 LYS 26 15.048 -2.314 5.589 64 HG2 LYS 26 HG2 LYS 26 16.278 -4.295 7.102 65 HG3 LYS 26 HG3 LYS 26 17.283 -2.859 7.313 66 HD2 LYS 26 HD2 LYS 26 14.293 -2.751 7.556 67 HD3 LYS 26 HD3 LYS 26 15.320 -3.181 8.931 68 HE2 LYS 26 HE2 LYS 26 16.536 -1.043 8.616 69 HE3 LYS 26 HE3 LYS 26 15.392 -0.616 7.344 70 HZ1 LYS 26 HZ1 LYS 26 14.671 -1.174 10.175 71 HZ2 LYS 26 HZ2 LYS 26 13.606 -0.686 8.948 72 HZ3 LYS 26 HZ3 LYS 26 14.816 0.373 9.490 73 H ASP 27 H ASP 27 13.990 -5.157 5.450 74 HA ASP 27 HA ASP 27 15.065 -7.725 5.962 75 HB2 ASP 27 HB2 ASP 27 15.880 -6.059 7.895 76 HB3 ASP 27 HB3 ASP 27 14.251 -6.345 8.496 77 H GLU 28 H GLU 28 13.183 -8.694 7.729 78 HA GLU 28 HA GLU 28 10.766 -8.414 6.263 79 HB2 GLU 28 HB2 GLU 28 9.769 -9.925 7.756 80 HB3 GLU 28 HB3 GLU 28 11.453 -10.416 7.720 81 HG2 GLU 28 HG2 GLU 28 10.281 -8.660 9.860 82 HG3 GLU 28 HG3 GLU 28 10.362 -10.416 9.973 83 H ALA 29 H ALA 29 12.211 -6.719 8.868 84 HA ALA 29 HA ALA 29 10.043 -5.466 10.074 85 HB1 ALA 29 HB1 ALA 29 11.577 -3.893 10.944 86 HB2 ALA 29 HB2 ALA 29 12.686 -4.108 9.586 87 HB3 ALA 29 HB3 ALA 29 12.482 -5.398 10.776 88 H GLN 30 H GLN 30 11.938 -4.366 7.239 89 HA GLN 30 HA GLN 30 10.434 -1.987 6.892 90 HB2 GLN 30 HB2 GLN 30 12.719 -2.586 5.806 91 HB3 GLN 30 HB3 GLN 30 11.754 -3.432 4.608 92 HG2 GLN 30 HG2 GLN 30 10.553 -1.404 4.086 93 HG3 GLN 30 HG3 GLN 30 11.456 -0.530 5.319 94 HE21 GLN 30 HE22 GLN 30 11.207 -0.067 2.442 95 HE22 GLN 30 HE21 GLN 30 12.825 -0.072 1.821 96 H GLU 31 H GLU 31 10.099 -5.265 5.892 97 HA GLU 31 HA GLU 31 7.965 -4.815 4.043 98 HB2 GLU 31 HB2 GLU 31 9.469 -6.690 3.786 99 HB3 GLU 31 HB3 GLU 31 9.039 -7.307 5.366 100 HG2 GLU 31 HG2 GLU 31 6.732 -7.676 4.532 101 HG3 GLU 31 HG3 GLU 31 7.271 -7.153 2.936 102 H GLN 32 H GLN 32 8.195 -5.109 7.477 103 HA GLN 32 HA GLN 32 5.448 -5.790 7.962 104 HB2 GLN 32 HB2 GLN 32 7.439 -4.335 9.728 105 HB3 GLN 32 HB3 GLN 32 5.882 -4.956 10.258 106 HG2 GLN 32 HG2 GLN 32 6.698 -7.239 9.623 107 HG3 GLN 32 HG3 GLN 32 8.284 -6.523 9.369 108 HE21 GLN 32 HE22 GLN 32 9.485 -5.857 11.136 109 HE22 GLN 32 HE21 GLN 32 9.072 -6.280 12.755 110 H GLN 33 H GLN 33 7.309 -2.790 7.676 111 HA GLN 33 HA GLN 33 5.215 -0.966 8.062 112 HB2 GLN 33 HB2 GLN 33 7.516 -0.199 7.858 113 HB3 GLN 33 HB3 GLN 33 7.607 -0.806 6.211 114 HG2 GLN 33 HG2 GLN 33 5.887 0.807 5.539 115 HG3 GLN 33 HG3 GLN 33 5.851 1.430 7.189 116 HE21 GLN 33 HE22 GLN 33 8.794 0.400 5.619 117 HE22 GLN 33 HE21 GLN 33 9.496 1.978 5.473 118 H PHE 34 H PHE 34 6.348 -2.687 5.222 119 HA PHE 34 HA PHE 34 4.516 -1.770 3.330 120 HB2 PHE 34 HB2 PHE 34 6.503 -3.121 2.804 121 HB3 PHE 34 HB3 PHE 34 5.791 -4.505 3.619 122 HD1 PHE 34 HD1 PHE 34 5.483 -2.270 0.703 123 HD2 PHE 34 HD2 PHE 34 4.283 -5.933 2.506 124 HE1 PHE 34 HE1 PHE 34 4.433 -2.961 -1.411 125 HE2 PHE 34 HE2 PHE 34 3.232 -6.632 0.393 126 HZ PHE 34 HZ PHE 34 3.400 -5.205 -1.591 127 H ARG 35 H ARG 35 4.277 -4.356 5.730 128 HA ARG 35 HA ARG 35 1.836 -5.463 5.010 129 HB2 ARG 35 HB2 ARG 35 3.512 -5.378 7.396 130 HB3 ARG 35 HB3 ARG 35 1.802 -5.464 7.785 131 HG2 ARG 35 HG2 ARG 35 2.884 -7.654 7.678 132 HG3 ARG 35 HG3 ARG 35 1.563 -7.492 6.517 133 HD2 ARG 35 HD2 ARG 35 3.715 -6.658 5.074 134 HD3 ARG 35 HD3 ARG 35 4.431 -7.898 6.098 135 HE ARG 35 HE ARG 35 1.994 -8.536 4.596 136 HH11 ARG 35 HH11 ARG 35 5.405 -9.025 5.173 137 HH12 ARG 35 HH12 ARG 35 5.521 -10.407 4.129 138 HH21 ARG 35 HH22 ARG 35 2.131 -10.360 3.219 139 HH22 ARG 35 HH21 ARG 35 3.659 -11.178 3.037 140 H GLN 36 H GLN 36 2.444 -2.732 7.231 141 HA GLN 36 HA GLN 36 -0.328 -2.358 7.788 142 HB2 GLN 36 HB2 GLN 36 1.900 -0.349 8.156 143 HB3 GLN 36 HB3 GLN 36 0.352 -0.365 8.983 144 HG2 GLN 36 HG2 GLN 36 0.984 -2.427 10.130 145 HG3 GLN 36 HG3 GLN 36 2.537 -2.413 9.294 146 HE21 GLN 36 HE22 GLN 36 0.894 0.434 10.490 147 HE22 GLN 36 HE21 GLN 36 2.045 0.819 11.725 148 H LEU 37 H LEU 37 1.956 -0.823 5.598 149 HA LEU 37 HA LEU 37 0.275 1.366 4.960 150 HB2 LEU 37 HB2 LEU 37 2.646 0.216 3.482 151 HB3 LEU 37 HB3 LEU 37 1.877 1.749 3.110 152 HG LEU 37 HG LEU 37 3.337 1.050 5.657 153 HD11 LEU 37 HD11 LEU 37 4.862 1.405 3.844 154 HD12 LEU 37 HD12 LEU 37 4.884 2.829 4.889 155 HD13 LEU 37 HD13 LEU 37 4.010 2.872 3.358 156 HD21 LEU 37 HD21 LEU 37 3.021 3.462 6.186 157 HD22 LEU 37 HD22 LEU 37 1.532 2.519 6.211 158 HD23 LEU 37 HD23 LEU 37 1.892 3.561 4.835 159 H THR 38 H THR 38 0.444 -1.894 3.872 160 HA THR 38 HA THR 38 -1.115 -1.255 1.486 161 HB THR 38 HB THR 38 -0.719 -3.580 0.800 162 HG1 THR 38 HG1 THR 38 1.051 -3.838 3.003 163 HG21 THR 38 HG21 THR 38 1.063 -1.546 0.713 164 HG22 THR 38 HG22 THR 38 1.332 -3.118 -0.032 165 HG23 THR 38 HG23 THR 38 2.012 -2.766 1.556 166 H GLU 39 H GLU 39 -1.570 -2.392 4.709 167 HA GLU 39 HA GLU 39 -4.030 -3.783 3.933 168 HB2 GLU 39 HB2 GLU 39 -2.564 -3.666 6.565 169 HB3 GLU 39 HB3 GLU 39 -4.123 -4.457 6.353 170 HG2 GLU 39 HG2 GLU 39 -3.120 -5.936 4.668 171 HG3 GLU 39 HG3 GLU 39 -1.560 -5.165 4.943 172 H GLU 40 H GLU 40 -2.988 -0.929 5.742 173 HA GLU 40 HA GLU 40 -5.639 -0.423 6.744 174 HB2 GLU 40 HB2 GLU 40 -3.429 0.331 7.817 175 HB3 GLU 40 HB3 GLU 40 -3.422 1.613 6.613 176 HG2 GLU 40 HG2 GLU 40 -5.572 2.415 7.439 177 HG3 GLU 40 HG3 GLU 40 -5.600 1.122 8.634 178 H LEU 41 H LEU 41 -4.016 0.142 3.817 179 HA LEU 41 HA LEU 41 -5.651 2.366 2.978 180 HB2 LEU 41 HB2 LEU 41 -3.467 2.297 2.051 181 HB3 LEU 41 HB3 LEU 41 -3.635 0.622 1.574 182 HG LEU 41 HG LEU 41 -5.188 1.217 -0.178 183 HD11 LEU 41 HD11 LEU 41 -6.388 3.018 0.809 184 HD12 LEU 41 HD12 LEU 41 -5.627 3.618 -0.673 185 HD13 LEU 41 HD13 LEU 41 -4.931 4.015 0.899 186 HD21 LEU 41 HD21 LEU 41 -2.916 1.269 -0.844 187 HD22 LEU 41 HD22 LEU 41 -2.668 2.848 -0.102 188 HD23 LEU 41 HD23 LEU 41 -3.681 2.700 -1.537 189 H ARG 42 H ARG 42 -7.563 2.263 1.951 190 HA ARG 42 HA ARG 42 -8.706 -0.378 1.590 191 HB2 ARG 42 HB2 ARG 42 -9.796 2.015 2.509 192 HB3 ARG 42 HB3 ARG 42 -10.461 1.833 0.894 193 HG2 ARG 42 HG2 ARG 42 -10.857 -0.653 1.813 194 HG3 ARG 42 HG3 ARG 42 -10.952 0.251 3.325 195 HD2 ARG 42 HD2 ARG 42 -12.600 1.769 2.210 196 HD3 ARG 42 HD3 ARG 42 -12.601 0.658 0.839 197 HE ARG 42 HE ARG 42 -13.250 -0.372 3.511 198 HH11 ARG 42 HH11 ARG 42 -14.282 0.432 0.261 199 HH12 ARG 42 HH12 ARG 42 -15.797 -0.403 0.393 200 HH21 ARG 42 HH22 ARG 42 -15.244 -1.479 3.683 201 HH22 ARG 42 HH21 ARG 42 -16.332 -1.510 2.334 202 H CYS 43 H CYS 43 -9.318 -1.232 -0.294 203 HA CYS 43 HA CYS 43 -9.041 0.409 -2.719 204 HB2 CYS 43 HB2 CYS 43 -8.759 -1.739 -3.928 205 HB3 CYS 43 HB3 CYS 43 -7.505 -1.494 -2.717 206 HG CYS 43 HG CYS 43 -7.833 -4.021 -2.149 207 HA PRO 44 HA PRO 44 -13.435 -0.221 -3.237 208 HB2 PRO 44 HB3 PRO 44 -13.100 -0.039 -6.133 209 HB3 PRO 44 HB2 PRO 44 -13.869 1.106 -5.028 210 HG2 PRO 44 HG2 PRO 44 -11.529 1.638 -6.278 211 HG3 PRO 44 HG3 PRO 44 -11.926 2.276 -4.673 212 HD2 PRO 44 HD2 PRO 44 -10.187 -0.055 -5.407 213 HD3 PRO 44 HD3 PRO 44 -9.923 1.208 -4.185 214 H LYS 45 H LYS 45 -12.475 -2.562 -2.683 215 HA LYS 45 HA LYS 45 -13.685 -4.390 -4.582 216 HB2 LYS 45 HB2 LYS 45 -11.251 -4.056 -5.267 217 HB3 LYS 45 HB3 LYS 45 -10.818 -4.824 -3.745 218 HG2 LYS 45 HG2 LYS 45 -10.716 -6.507 -5.370 219 HG3 LYS 45 HG3 LYS 45 -12.213 -6.792 -4.488 220 HD2 LYS 45 HD2 LYS 45 -13.417 -5.552 -6.294 221 HD3 LYS 45 HD3 LYS 45 -11.899 -5.498 -7.194 222 HE2 LYS 45 HE2 LYS 45 -11.843 -8.013 -7.028 223 HE3 LYS 45 HE3 LYS 45 -13.484 -7.930 -6.390 224 HZ1 LYS 45 HZ1 LYS 45 -12.552 -7.083 -9.077 225 HZ2 LYS 45 HZ2 LYS 45 -14.085 -6.692 -8.459 226 HZ3 LYS 45 HZ3 LYS 45 -13.658 -8.314 -8.701 227 H CYS 46 H CYS 46 -14.592 -6.078 -3.525 228 HA CYS 46 HA CYS 46 -14.205 -6.311 -0.641 229 HB2 CYS 46 HB2 CYS 46 -16.100 -7.698 -2.540 230 HB3 CYS 46 HB3 CYS 46 -16.107 -7.880 -0.789 231 HG CYS 46 HG CYS 46 -18.037 -6.002 -2.281 232 H GLN 47 H GLN 47 -13.520 -7.914 -3.595 233 HA GLN 47 HA GLN 47 -12.691 -10.393 -2.383 234 HB2 GLN 47 HB2 GLN 47 -12.442 -9.317 -5.190 235 HB3 GLN 47 HB3 GLN 47 -12.063 -10.968 -4.712 236 HG2 GLN 47 HG2 GLN 47 -14.766 -9.733 -4.296 237 HG3 GLN 47 HG3 GLN 47 -14.321 -10.569 -5.788 238 HE21 GLN 47 HE22 GLN 47 -15.868 -12.150 -5.493 239 HE22 GLN 47 HE21 GLN 47 -15.731 -13.384 -4.282 240 H ASN 48 H ASN 48 -10.694 -10.882 -1.727 241 HA ASN 48 HA ASN 48 -8.531 -10.621 -1.081 242 HB2 ASN 48 HB2 ASN 48 -8.413 -8.612 -3.322 243 HB3 ASN 48 HB3 ASN 48 -7.030 -9.029 -2.323 244 HD21 ASN 48 HD22 ASN 48 -7.839 -11.855 -2.157 245 HD22 ASN 48 HD21 ASN 48 -7.447 -12.537 -3.697 246 H ASN 49 H ASN 49 -7.292 -9.229 0.329 247 HA ASN 49 HA ASN 49 -9.042 -7.161 1.458 248 HB2 ASN 49 HB2 ASN 49 -8.413 -8.998 2.969 249 HB3 ASN 49 HB3 ASN 49 -6.713 -8.601 2.744 250 HD21 ASN 49 HD22 ASN 49 -5.858 -6.810 3.770 251 HD22 ASN 49 HD21 ASN 49 -6.709 -5.929 4.990 252 H SER 50 H SER 50 -8.604 -5.224 0.739 253 HA SER 50 HA SER 50 -7.536 -3.273 0.344 254 HB2 SER 50 HB2 SER 50 -5.338 -4.472 2.049 255 HB3 SER 50 HB3 SER 50 -5.562 -2.761 1.686 256 HG SER 50 HG SER 50 -6.592 -2.913 3.560 257 H ILE 51 H ILE 51 -4.364 -3.405 0.318 258 HA ILE 51 HA ILE 51 -4.222 -4.567 -2.394 259 HB ILE 51 HB ILE 51 -2.477 -2.969 -2.959 260 HG12 ILE 51 HG12 ILE 51 -2.994 -1.680 -0.273 261 HG13 ILE 51 HG13 ILE 51 -1.605 -2.700 -0.619 262 HG21 ILE 51 HG21 ILE 51 -4.780 -2.366 -3.434 263 HG22 ILE 51 HG22 ILE 51 -3.839 -0.932 -3.020 264 HG23 ILE 51 HG23 ILE 51 -4.936 -1.637 -1.834 265 HD11 ILE 51 HD11 ILE 51 -2.259 -0.111 -2.003 266 HD12 ILE 51 HD12 ILE 51 -0.850 -1.128 -2.304 267 HD13 ILE 51 HD13 ILE 51 -1.047 -0.335 -0.741 268 H ALA 52 H ALA 52 -3.361 -5.146 0.680 269 HA ALA 52 HA ALA 52 -0.611 -5.510 0.763 270 HB1 ALA 52 HB1 ALA 52 -2.754 -7.068 2.196 271 HB2 ALA 52 HB2 ALA 52 -1.990 -5.575 2.738 272 HB3 ALA 52 HB3 ALA 52 -1.042 -7.056 2.621 273 H ASP 53 H ASP 53 -3.097 -7.936 0.009 274 HA ASP 53 HA ASP 53 -1.234 -9.164 -1.853 275 HB2 ASP 53 HB2 ASP 53 -0.928 -10.462 0.225 276 HB3 ASP 53 HB3 ASP 53 -2.660 -10.782 0.273 277 H SER 54 H SER 54 -2.542 -8.287 -3.409 278 HA SER 54 HA SER 54 -5.150 -9.590 -3.743 279 HB2 SER 54 HB2 SER 54 -4.546 -6.675 -4.314 280 HB3 SER 54 HB3 SER 54 -6.103 -7.481 -4.515 281 HG SER 54 HG SER 54 -5.888 -6.276 -2.520 282 H ASN 55 H ASN 55 -5.757 -9.945 -5.907 283 HA ASN 55 HA ASN 55 -3.498 -10.423 -7.612 284 HB2 ASN 55 HB2 ASN 55 -6.446 -10.947 -7.952 285 HB3 ASN 55 HB3 ASN 55 -5.253 -11.342 -9.187 286 HD21 ASN 55 HD22 ASN 55 -3.697 -12.932 -8.741 287 HD22 ASN 55 HD21 ASN 55 -3.948 -14.119 -7.502 288 H SER 56 H SER 56 -5.121 -7.658 -7.102 289 HA SER 56 HA SER 56 -5.533 -6.811 -9.804 290 HB2 SER 56 HB2 SER 56 -6.830 -5.800 -8.009 291 HB3 SER 56 HB3 SER 56 -5.357 -5.201 -7.252 292 HG SER 56 HG SER 56 -6.831 -4.044 -9.136 293 H MET 57 H MET 57 -4.034 -6.247 -11.150 294 HA MET 57 HA MET 57 -1.306 -6.033 -10.670 295 HB2 MET 57 HB2 MET 57 -2.497 -4.391 -12.849 296 HB3 MET 57 HB3 MET 57 -1.111 -5.468 -12.894 297 HG2 MET 57 HG2 MET 57 -2.367 -6.993 -13.857 298 HG3 MET 57 HG3 MET 57 -3.353 -7.071 -12.398 299 HE1 MET 57 HE1 MET 57 -6.239 -4.577 -13.145 300 HE2 MET 57 HE2 MET 57 -4.876 -4.642 -12.019 301 HE3 MET 57 HE3 MET 57 -5.896 -6.065 -12.267 302 H ILE 58 H ILE 58 -3.869 -3.699 -10.541 303 HA ILE 58 HA ILE 58 -2.180 -1.401 -10.475 304 HB ILE 58 HB ILE 58 -4.070 -0.187 -10.694 305 HG12 ILE 58 HG12 ILE 58 -6.294 -0.995 -9.541 306 HG13 ILE 58 HG13 ILE 58 -5.191 -1.919 -8.527 307 HG21 ILE 58 HG21 ILE 58 -5.079 -2.974 -11.214 308 HG22 ILE 58 HG22 ILE 58 -4.380 -1.833 -12.371 309 HG23 ILE 58 HG23 ILE 58 -5.963 -1.509 -11.661 310 HD11 ILE 58 HD11 ILE 58 -5.438 1.049 -8.828 311 HD12 ILE 58 HD12 ILE 58 -3.976 0.295 -8.185 312 HD13 ILE 58 HD13 ILE 58 -5.525 0.068 -7.362 313 H ALA 59 H ALA 59 -3.601 -3.541 -8.101 314 HA ALA 59 HA ALA 59 -3.169 -2.026 -5.779 315 HB1 ALA 59 HB1 ALA 59 -2.910 -5.024 -6.078 316 HB2 ALA 59 HB2 ALA 59 -4.421 -4.159 -5.799 317 HB3 ALA 59 HB3 ALA 59 -3.154 -4.139 -4.572 318 H THR 60 H THR 60 -1.058 -4.122 -7.652 319 HA THR 60 HA THR 60 1.245 -3.946 -6.051 320 HB THR 60 HB THR 60 0.982 -4.340 -9.037 321 HG1 THR 60 HG1 THR 60 0.658 -6.413 -8.546 322 HG21 THR 60 HG21 THR 60 3.239 -3.612 -8.334 323 HG22 THR 60 HG22 THR 60 3.217 -5.256 -8.978 324 HG23 THR 60 HG23 THR 60 3.316 -4.989 -7.236 325 H ASP 61 H ASP 61 0.073 -1.915 -8.709 326 HA ASP 61 HA ASP 61 2.186 -0.133 -8.984 327 HB2 ASP 61 HB2 ASP 61 -0.157 -0.207 -10.200 328 HB3 ASP 61 HB3 ASP 61 -0.621 0.914 -8.935 329 H LEU 62 H LEU 62 -0.552 -0.028 -6.772 330 HA LEU 62 HA LEU 62 0.133 2.413 -5.524 331 HB2 LEU 62 HB2 LEU 62 -1.437 0.197 -4.224 332 HB3 LEU 62 HB3 LEU 62 -1.590 1.923 -3.968 333 HG LEU 62 HG LEU 62 -2.513 0.322 -6.342 334 HD11 LEU 62 HD11 LEU 62 -3.957 0.343 -4.369 335 HD12 LEU 62 HD12 LEU 62 -4.691 1.177 -5.738 336 HD13 LEU 62 HD13 LEU 62 -3.985 2.106 -4.417 337 HD21 LEU 62 HD21 LEU 62 -1.623 2.256 -7.346 338 HD22 LEU 62 HD22 LEU 62 -2.212 3.295 -6.053 339 HD23 LEU 62 HD23 LEU 62 -3.351 2.567 -7.179 340 H ARG 63 H ARG 63 0.919 -0.937 -4.881 341 HA ARG 63 HA ARG 63 2.147 -0.502 -2.367 342 HB2 ARG 63 HB2 ARG 63 2.370 -2.738 -4.375 343 HB3 ARG 63 HB3 ARG 63 3.219 -2.758 -2.834 344 HG2 ARG 63 HG2 ARG 63 1.031 -2.509 -1.690 345 HG3 ARG 63 HG3 ARG 63 0.245 -2.658 -3.262 346 HD2 ARG 63 HD2 ARG 63 2.084 -4.731 -2.093 347 HD3 ARG 63 HD3 ARG 63 0.330 -4.761 -1.910 348 HE ARG 63 HE ARG 63 1.088 -4.563 -4.647 349 HH11 ARG 63 HH11 ARG 63 0.842 -6.845 -2.009 350 HH12 ARG 63 HH12 ARG 63 0.698 -8.229 -3.048 351 HH21 ARG 63 HH22 ARG 63 0.878 -6.382 -6.030 352 HH22 ARG 63 HH21 ARG 63 0.685 -7.964 -5.330 353 H GLN 64 H GLN 64 3.295 -0.319 -5.679 354 HA GLN 64 HA GLN 64 6.020 0.084 -5.133 355 HB2 GLN 64 HB2 GLN 64 4.316 1.283 -7.312 356 HB3 GLN 64 HB3 GLN 64 6.070 1.292 -7.287 357 HG2 GLN 64 HG2 GLN 64 6.104 -1.129 -7.404 358 HG3 GLN 64 HG3 GLN 64 4.343 -1.168 -7.369 359 HE21 GLN 64 HE22 GLN 64 6.332 -2.078 -9.396 360 HE22 GLN 64 HE21 GLN 64 5.819 -1.313 -10.877 361 H LYS 65 H LYS 65 3.317 2.391 -5.368 362 HA LYS 65 HA LYS 65 4.775 4.701 -4.736 363 HB2 LYS 65 HB2 LYS 65 2.533 4.853 -5.602 364 HB3 LYS 65 HB3 LYS 65 1.883 4.065 -4.172 365 HG2 LYS 65 HG2 LYS 65 1.445 6.318 -3.783 366 HG3 LYS 65 HG3 LYS 65 2.932 6.018 -2.889 367 HD2 LYS 65 HD2 LYS 65 3.216 6.939 -5.692 368 HD3 LYS 65 HD3 LYS 65 2.664 8.117 -4.496 369 HE2 LYS 65 HE2 LYS 65 4.578 7.670 -3.118 370 HE3 LYS 65 HE3 LYS 65 5.095 6.392 -4.206 371 HZ1 LYS 65 HZ1 LYS 65 4.784 9.111 -5.271 372 HZ2 LYS 65 HZ2 LYS 65 5.852 7.880 -5.750 373 HZ3 LYS 65 HZ3 LYS 65 6.155 8.761 -4.328 374 H VAL 66 H VAL 66 3.037 2.426 -2.662 375 HA VAL 66 HA VAL 66 3.588 3.483 -0.170 376 HB VAL 66 HB VAL 66 3.400 0.614 -1.085 377 HG11 VAL 66 HG11 VAL 66 4.804 1.013 1.031 378 HG12 VAL 66 HG12 VAL 66 3.493 -0.165 1.106 379 HG13 VAL 66 HG13 VAL 66 3.273 1.449 1.786 380 HG21 VAL 66 HG21 VAL 66 1.219 0.708 -0.011 381 HG22 VAL 66 HG22 VAL 66 1.369 1.979 -1.223 382 HG23 VAL 66 HG23 VAL 66 1.523 2.372 0.489 383 H TYR 67 H TYR 67 5.668 1.430 -2.189 384 HA TYR 67 HA TYR 67 7.828 1.318 -0.365 385 HB2 TYR 67 HB2 TYR 67 7.573 -0.275 -2.209 386 HB3 TYR 67 HB3 TYR 67 7.818 1.019 -3.374 387 HD1 TYR 67 HD1 TYR 67 9.498 -0.781 -0.583 388 HD2 TYR 67 HD2 TYR 67 9.972 1.534 -4.122 389 HE1 TYR 67 HE1 TYR 67 11.919 -1.196 -0.523 390 HE2 TYR 67 HE2 TYR 67 12.395 1.122 -4.073 391 HH TYR 67 HH TYR 67 13.827 -1.207 -2.033 392 H GLU 68 H GLU 68 7.199 3.433 -3.170 393 HA GLU 68 HA GLU 68 9.528 4.956 -3.052 394 HB2 GLU 68 HB2 GLU 68 6.769 5.946 -3.798 395 HB3 GLU 68 HB3 GLU 68 8.304 6.660 -4.278 396 HG2 GLU 68 HG2 GLU 68 8.843 4.617 -5.522 397 HG3 GLU 68 HG3 GLU 68 7.281 3.946 -5.073 398 H LEU 69 H LEU 69 6.400 5.531 -1.485 399 HA LEU 69 HA LEU 69 7.073 7.944 -0.216 400 HB2 LEU 69 HB2 LEU 69 5.044 5.822 0.446 401 HB3 LEU 69 HB3 LEU 69 5.140 7.348 1.294 402 HG LEU 69 HG LEU 69 4.558 7.002 -1.651 403 HD11 LEU 69 HD11 LEU 69 2.778 6.410 0.091 404 HD12 LEU 69 HD12 LEU 69 2.341 7.543 -1.179 405 HD13 LEU 69 HD13 LEU 69 2.731 8.132 0.435 406 HD21 LEU 69 HD21 LEU 69 4.489 9.284 -1.890 407 HD22 LEU 69 HD22 LEU 69 5.834 9.115 -0.764 408 HD23 LEU 69 HD23 LEU 69 4.237 9.567 -0.169 409 H MET 70 H MET 70 7.660 4.613 0.711 410 HA MET 70 HA MET 70 8.406 4.968 3.379 411 HB2 MET 70 HB2 MET 70 9.580 3.102 1.308 412 HB3 MET 70 HB3 MET 70 9.950 3.023 3.020 413 HG2 MET 70 HG2 MET 70 7.593 2.555 3.492 414 HG3 MET 70 HG3 MET 70 7.254 2.587 1.760 415 HE1 MET 70 HE1 MET 70 6.939 -1.190 2.325 416 HE2 MET 70 HE2 MET 70 6.199 0.304 1.747 417 HE3 MET 70 HE3 MET 70 6.436 0.049 3.477 418 H GLN 71 H GLN 71 10.346 5.248 0.415 419 HA GLN 71 HA GLN 71 12.673 6.027 1.959 420 HB2 GLN 71 HB2 GLN 71 13.752 6.116 -0.330 421 HB3 GLN 71 HB3 GLN 71 13.171 4.543 0.196 422 HG2 GLN 71 HG2 GLN 71 11.243 4.712 -1.199 423 HG3 GLN 71 HG3 GLN 71 11.620 6.382 -1.602 424 HE21 GLN 71 HE22 GLN 71 11.720 6.037 -3.780 425 HE22 GLN 71 HE21 GLN 71 12.979 5.120 -4.534 426 H GLU 72 H GLU 72 10.075 7.581 0.408 427 HA GLU 72 HA GLU 72 11.394 10.065 -0.104 428 HB2 GLU 72 HB2 GLU 72 8.458 9.462 0.342 429 HB3 GLU 72 HB3 GLU 72 9.085 11.023 -0.166 430 HG2 GLU 72 HG2 GLU 72 10.026 9.903 -2.185 431 HG3 GLU 72 HG3 GLU 72 9.189 8.436 -1.677 432 H GLY 73 H GLY 73 9.670 8.647 2.617 433 HA2 GLY 73 HA2 GLY 73 10.611 9.238 4.823 434 HA3 GLY 73 HA3 GLY 73 10.646 10.905 4.262 435 H LYS 74 H LYS 74 8.024 8.683 3.622 436 HA LYS 74 HA LYS 74 6.207 10.543 4.927 437 HB2 LYS 74 HB2 LYS 74 5.415 8.036 3.468 438 HB3 LYS 74 HB3 LYS 74 4.477 9.496 3.720 439 HG2 LYS 74 HG2 LYS 74 6.956 9.401 2.010 440 HG3 LYS 74 HG3 LYS 74 5.320 9.168 1.394 441 HD2 LYS 74 HD2 LYS 74 4.704 11.344 1.814 442 HD3 LYS 74 HD3 LYS 74 5.984 11.602 3.004 443 HE2 LYS 74 HE2 LYS 74 7.604 11.332 1.080 444 HE3 LYS 74 HE3 LYS 74 6.205 11.433 0.011 445 HZ1 LYS 74 HZ1 LYS 74 5.696 13.612 1.031 446 HZ2 LYS 74 HZ2 LYS 74 7.185 13.591 0.218 447 HZ3 LYS 74 HZ3 LYS 74 7.144 13.517 1.910 448 H SER 75 H SER 75 4.600 9.800 6.377 449 HA SER 75 HA SER 75 5.543 7.711 8.186 450 HB2 SER 75 HB2 SER 75 3.365 9.780 8.562 451 HB3 SER 75 HB3 SER 75 4.020 8.718 9.810 452 HG SER 75 HG SER 75 5.547 10.635 8.347 453 H LYS 76 H LYS 76 3.527 6.548 9.322 454 HA LYS 76 HA LYS 76 2.650 4.763 7.347 455 HB2 LYS 76 HB2 LYS 76 2.052 5.167 10.221 456 HB3 LYS 76 HB3 LYS 76 0.941 4.168 9.296 457 HG2 LYS 76 HG2 LYS 76 2.597 2.790 10.357 458 HG3 LYS 76 HG3 LYS 76 2.814 2.734 8.615 459 HD2 LYS 76 HD2 LYS 76 4.385 4.707 10.202 460 HD3 LYS 76 HD3 LYS 76 4.867 3.013 10.240 461 HE2 LYS 76 HE2 LYS 76 4.979 3.039 7.772 462 HE3 LYS 76 HE3 LYS 76 4.585 4.756 7.790 463 HZ1 LYS 76 HZ1 LYS 76 6.987 4.299 7.592 464 HZ2 LYS 76 HZ2 LYS 76 6.965 3.568 9.121 465 HZ3 LYS 76 HZ3 LYS 76 6.610 5.217 8.966 466 H LYS 77 H LYS 77 0.720 7.103 9.197 467 HA LYS 77 HA LYS 77 -1.626 6.737 7.612 468 HB2 LYS 77 HB2 LYS 77 -0.982 9.208 9.223 469 HB3 LYS 77 HB3 LYS 77 -2.563 8.530 8.858 470 HG2 LYS 77 HG2 LYS 77 -0.488 7.348 10.680 471 HG3 LYS 77 HG3 LYS 77 -2.003 8.118 11.164 472 HD2 LYS 77 HD2 LYS 77 -3.261 6.375 10.000 473 HD3 LYS 77 HD3 LYS 77 -1.747 5.617 9.497 474 HE2 LYS 77 HE2 LYS 77 -1.177 5.108 11.774 475 HE3 LYS 77 HE3 LYS 77 -2.554 6.033 12.374 476 HZ1 LYS 77 HZ1 LYS 77 -4.033 4.447 11.324 477 HZ2 LYS 77 HZ2 LYS 77 -2.999 3.654 12.400 478 HZ3 LYS 77 HZ3 LYS 77 -2.726 3.559 10.729 479 H GLU 78 H GLU 78 1.183 8.720 7.438 480 HA GLU 78 HA GLU 78 0.274 10.639 5.577 481 HB2 GLU 78 HB2 GLU 78 2.226 11.029 6.915 482 HB3 GLU 78 HB3 GLU 78 3.041 9.623 6.244 483 HG2 GLU 78 HG2 GLU 78 4.028 11.458 5.205 484 HG3 GLU 78 HG3 GLU 78 2.907 10.810 4.011 485 H ILE 79 H ILE 79 1.889 7.475 5.137 486 HA ILE 79 HA ILE 79 2.141 7.645 2.338 487 HB ILE 79 HB ILE 79 2.077 5.336 4.238 488 HG12 ILE 79 HG12 ILE 79 4.131 4.998 2.430 489 HG13 ILE 79 HG13 ILE 79 4.011 6.749 2.544 490 HG21 ILE 79 HG21 ILE 79 0.699 4.932 2.023 491 HG22 ILE 79 HG22 ILE 79 1.783 3.697 2.666 492 HG23 ILE 79 HG23 ILE 79 2.311 4.727 1.335 493 HD11 ILE 79 HD11 ILE 79 4.309 4.919 4.915 494 HD12 ILE 79 HD12 ILE 79 4.440 6.677 4.897 495 HD13 ILE 79 HD13 ILE 79 5.656 5.697 4.083 496 H VAL 80 H VAL 80 -0.457 6.179 4.313 497 HA VAL 80 HA VAL 80 -2.025 5.484 2.064 498 HB VAL 80 HB VAL 80 -2.462 4.262 4.043 499 HG11 VAL 80 HG11 VAL 80 -3.093 6.872 5.397 500 HG12 VAL 80 HG12 VAL 80 -1.692 5.847 5.702 501 HG13 VAL 80 HG13 VAL 80 -3.310 5.274 6.111 502 HG21 VAL 80 HG21 VAL 80 -4.416 4.696 2.662 503 HG22 VAL 80 HG22 VAL 80 -4.745 6.151 3.601 504 HG23 VAL 80 HG23 VAL 80 -4.860 4.565 4.365 505 H ASP 81 H ASP 81 -1.915 8.333 4.121 506 HA ASP 81 HA ASP 81 -4.191 9.608 3.005 507 HB2 ASP 81 HB2 ASP 81 -3.152 10.275 5.162 508 HB3 ASP 81 HB3 ASP 81 -1.755 10.882 4.280 509 H TYR 82 H TYR 82 -0.793 9.501 2.180 510 HA TYR 82 HA TYR 82 -0.772 11.440 0.125 511 HB2 TYR 82 HB2 TYR 82 1.204 10.117 1.261 512 HB3 TYR 82 HB3 TYR 82 0.890 8.949 -0.010 513 HD1 TYR 82 HD2 TYR 82 0.926 9.799 -2.441 514 HD2 TYR 82 HD1 TYR 82 2.558 11.962 0.830 515 HE1 TYR 82 HE2 TYR 82 2.299 11.113 -4.004 516 HE2 TYR 82 HE1 TYR 82 3.932 13.290 -0.720 517 HH TYR 82 HH TYR 82 3.427 13.323 -4.061 518 H MET 83 H MET 83 -1.358 7.983 0.183 519 HA MET 83 HA MET 83 -1.651 7.482 -2.527 520 HB2 MET 83 HB2 MET 83 -3.117 6.215 -0.208 521 HB3 MET 83 HB3 MET 83 -3.054 5.562 -1.837 522 HG2 MET 83 HG2 MET 83 -0.693 5.981 -0.029 523 HG3 MET 83 HG3 MET 83 -1.499 4.448 -0.332 524 HE1 MET 83 HE1 MET 83 -2.181 4.880 -3.462 525 HE2 MET 83 HE2 MET 83 -1.613 3.342 -2.817 526 HE3 MET 83 HE3 MET 83 -0.816 4.057 -4.218 527 H VAL 84 H VAL 84 -4.243 8.178 -0.168 528 HA VAL 84 HA VAL 84 -6.253 8.332 -2.158 529 HB VAL 84 HB VAL 84 -7.751 9.149 -0.519 530 HG11 VAL 84 HG11 VAL 84 -5.763 7.369 0.861 531 HG12 VAL 84 HG12 VAL 84 -7.075 6.849 -0.192 532 HG13 VAL 84 HG13 VAL 84 -7.434 7.623 1.351 533 HG21 VAL 84 HG21 VAL 84 -6.831 10.993 0.497 534 HG22 VAL 84 HG22 VAL 84 -5.314 10.174 0.860 535 HG23 VAL 84 HG23 VAL 84 -6.758 9.808 1.801 536 H ALA 85 H ALA 85 -4.001 10.670 -0.918 537 HA ALA 85 HA ALA 85 -5.344 12.992 -1.770 538 HB1 ALA 85 HB1 ALA 85 -3.033 14.028 -1.641 539 HB2 ALA 85 HB2 ALA 85 -2.458 12.429 -1.162 540 HB3 ALA 85 HB3 ALA 85 -3.646 13.275 -0.169 541 H ARG 86 H ARG 86 -2.910 10.941 -3.324 542 HA ARG 86 HA ARG 86 -3.023 12.604 -5.738 543 HB2 ARG 86 HB2 ARG 86 -1.071 10.696 -4.595 544 HB3 ARG 86 HB3 ARG 86 -1.166 10.761 -6.349 545 HG2 ARG 86 HG2 ARG 86 0.549 12.241 -5.672 546 HG3 ARG 86 HG3 ARG 86 -0.821 13.231 -6.175 547 HD2 ARG 86 HD2 ARG 86 -1.474 13.443 -3.800 548 HD3 ARG 86 HD3 ARG 86 -0.017 12.558 -3.352 549 HE ARG 86 HE ARG 86 0.453 14.883 -5.002 550 HH11 ARG 86 HH11 ARG 86 0.080 13.740 -1.708 551 HH12 ARG 86 HH12 ARG 86 1.075 14.984 -1.021 552 HH21 ARG 86 HH22 ARG 86 1.738 16.538 -4.114 553 HH22 ARG 86 HH21 ARG 86 2.027 16.584 -2.398 554 H TYR 87 H TYR 87 -3.638 9.319 -4.652 555 HA TYR 87 HA TYR 87 -4.554 8.580 -7.356 556 HB2 TYR 87 HB2 TYR 87 -3.584 6.812 -5.105 557 HB3 TYR 87 HB3 TYR 87 -4.118 6.253 -6.684 558 HD1 TYR 87 HD2 TYR 87 -2.790 7.345 -8.722 559 HD2 TYR 87 HD1 TYR 87 -1.329 7.059 -4.733 560 HE1 TYR 87 HE2 TYR 87 -0.484 7.526 -9.559 561 HE2 TYR 87 HE1 TYR 87 0.992 7.239 -5.556 562 HH TYR 87 HH TYR 87 2.179 6.710 -7.781 563 H GLY 88 H GLY 88 -6.219 10.002 -5.455 564 HA2 GLY 88 HA2 GLY 88 -7.704 8.196 -3.846 565 HA3 GLY 88 HA3 GLY 88 -8.149 9.855 -4.213 566 H ASN 89 H ASN 89 -7.897 8.773 -7.182 567 HA ASN 89 HA ASN 89 -10.702 8.032 -7.345 568 HB2 ASN 89 HB2 ASN 89 -8.644 8.590 -9.491 569 HB3 ASN 89 HB3 ASN 89 -10.307 8.120 -9.830 570 HD21 ASN 89 HD22 ASN 89 -10.889 9.978 -10.838 571 HD22 ASN 89 HD21 ASN 89 -11.009 11.512 -10.033 572 H PHE 90 H PHE 90 -7.875 6.471 -6.849 573 HA PHE 90 HA PHE 90 -8.912 3.968 -8.006 574 HB2 PHE 90 HB2 PHE 90 -6.013 4.691 -7.508 575 HB3 PHE 90 HB3 PHE 90 -6.600 3.180 -8.191 576 HD1 PHE 90 HD2 PHE 90 -7.682 3.196 -10.438 577 HD2 PHE 90 HD1 PHE 90 -5.676 6.596 -8.851 578 HE1 PHE 90 HE2 PHE 90 -7.524 4.155 -12.699 579 HE2 PHE 90 HE1 PHE 90 -5.513 7.559 -11.108 580 HZ PHE 90 HZ PHE 90 -6.440 6.340 -13.035 581 H VAL 91 H VAL 91 -7.523 5.630 -5.292 582 HA VAL 91 HA VAL 91 -7.768 3.204 -3.637 583 HB VAL 91 HB VAL 91 -5.792 3.627 -2.586 584 HG11 VAL 91 HG11 VAL 91 -5.229 5.434 -4.929 585 HG12 VAL 91 HG12 VAL 91 -5.357 3.672 -5.077 586 HG13 VAL 91 HG13 VAL 91 -4.099 4.378 -4.061 587 HG21 VAL 91 HG21 VAL 91 -6.522 5.686 -1.534 588 HG22 VAL 91 HG22 VAL 91 -6.220 6.574 -3.026 589 HG23 VAL 91 HG23 VAL 91 -4.873 5.862 -2.137 590 H THR 92 H THR 92 -8.183 3.715 -1.288 591 HA THR 92 HA THR 92 -9.365 6.302 -0.708 592 HB THR 92 HB THR 92 -10.981 3.739 -0.579 593 HG1 THR 92 HG1 THR 92 -10.713 5.569 -2.497 594 HG21 THR 92 HG21 THR 92 -11.411 5.141 1.371 595 HG22 THR 92 HG22 THR 92 -12.807 5.114 0.288 596 HG23 THR 92 HG23 THR 92 -11.740 6.520 0.319 597 H TYR 93 H TYR 93 -9.367 6.758 1.522 598 HA TYR 93 HA TYR 93 -8.152 4.665 3.174 599 HB2 TYR 93 HB2 TYR 93 -6.964 6.803 3.165 600 HB3 TYR 93 HB3 TYR 93 -8.415 7.639 3.701 601 HD1 TYR 93 HD1 TYR 93 -7.181 4.373 4.949 602 HD2 TYR 93 HD2 TYR 93 -7.639 8.521 5.756 603 HE1 TYR 93 HE1 TYR 93 -6.501 3.985 7.277 604 HE2 TYR 93 HE2 TYR 93 -6.963 8.146 8.089 605 HH TYR 93 HH TYR 93 -5.623 5.133 9.151 606 H ASP 94 H ASP 94 -9.583 3.424 4.040 607 HA ASP 94 HA ASP 94 -11.782 4.378 5.635 608 HB2 ASP 94 HB2 ASP 94 -12.186 3.535 2.857 609 HB3 ASP 94 HB3 ASP 94 -13.101 2.551 3.989 610 HA PRO 95 HA PRO 95 -11.068 0.436 7.669 611 HB2 PRO 95 HB3 PRO 95 -13.693 -0.486 7.859 612 HB3 PRO 95 HB2 PRO 95 -12.883 0.545 9.041 613 HG2 PRO 95 HG2 PRO 95 -14.756 1.292 6.843 614 HG3 PRO 95 HG3 PRO 95 -14.622 1.960 8.482 615 HD2 PRO 95 HD2 PRO 95 -13.653 3.280 6.372 616 HD3 PRO 95 HD3 PRO 95 -12.784 3.278 7.923 617 HA PRO 96 HA PRO 96 -11.024 -1.956 3.958 618 HB2 PRO 96 HB3 PRO 96 -9.422 -3.963 5.174 619 HB3 PRO 96 HB2 PRO 96 -8.887 -2.602 4.193 620 HG2 PRO 96 HG2 PRO 96 -8.413 -2.969 6.926 621 HG3 PRO 96 HG3 PRO 96 -8.142 -1.489 5.996 622 HD2 PRO 96 HD2 PRO 96 -10.351 -2.188 7.831 623 HD3 PRO 96 HD3 PRO 96 -9.699 -0.599 7.381 624 H LEU 97 H LEU 97 -10.680 -4.728 3.935 625 HA LEU 97 HA LEU 97 -13.428 -5.507 4.290 626 HB2 LEU 97 HB2 LEU 97 -11.027 -6.973 3.232 627 HB3 LEU 97 HB3 LEU 97 -12.621 -7.687 3.314 628 HG LEU 97 HG LEU 97 -12.311 -6.982 1.078 629 HD11 LEU 97 HD11 LEU 97 -14.516 -6.523 1.962 630 HD12 LEU 97 HD12 LEU 97 -14.059 -5.298 0.780 631 HD13 LEU 97 HD13 LEU 97 -13.992 -4.929 2.504 632 HD21 LEU 97 HD21 LEU 97 -10.439 -5.468 1.410 633 HD22 LEU 97 HD22 LEU 97 -11.512 -4.284 2.158 634 HD23 LEU 97 HD23 LEU 97 -11.703 -4.697 0.453 635 H THR 98 H THR 98 -11.232 -5.197 6.491 636 HA THR 98 HA THR 98 -10.870 -7.534 7.880 637 HB THR 98 HB THR 98 -9.792 -5.559 8.669 638 HG1 THR 98 HG1 THR 98 -10.669 -7.119 10.314 639 HG21 THR 98 HG21 THR 98 -11.012 -3.648 9.629 640 HG22 THR 98 HG22 THR 98 -12.535 -4.397 9.150 641 HG23 THR 98 HG23 THR 98 -11.378 -3.885 7.920 642 HA PRO 99 HA PRO 99 -15.095 -8.648 8.961 643 HB2 PRO 99 HB3 PRO 99 -14.393 -10.807 10.485 644 HB3 PRO 99 HB2 PRO 99 -14.518 -10.856 8.724 645 HG2 PRO 99 HG2 PRO 99 -12.093 -10.607 10.447 646 HG3 PRO 99 HG3 PRO 99 -12.317 -11.532 8.952 647 HD2 PRO 99 HD2 PRO 99 -11.034 -9.140 9.036 648 HD3 PRO 99 HD3 PRO 99 -11.939 -9.700 7.618 Start of MODEL 11 1 H THR 19 H1 THR 19 13.583 -13.515 -8.470 2 HA THR 19 HA THR 19 15.171 -11.050 -8.818 3 HB THR 19 HB THR 19 13.573 -10.685 -10.779 4 HG1 THR 19 HG1 THR 19 12.867 -12.718 -11.740 5 HG21 THR 19 HG21 THR 19 15.007 -11.931 -12.335 6 HG22 THR 19 HG22 THR 19 15.655 -12.863 -10.985 7 HG23 THR 19 HG23 THR 19 15.956 -11.128 -11.083 8 H ILE 20 H ILE 20 14.042 -9.163 -8.359 9 HA ILE 20 HA ILE 20 11.264 -9.362 -7.494 10 HB ILE 20 HB ILE 20 12.809 -9.860 -5.523 11 HG12 ILE 20 HG12 ILE 20 10.378 -8.821 -5.499 12 HG13 ILE 20 HG13 ILE 20 11.309 -8.985 -4.019 13 HG21 ILE 20 HG21 ILE 20 13.414 -6.923 -5.768 14 HG22 ILE 20 HG22 ILE 20 14.546 -8.251 -6.030 15 HG23 ILE 20 HG23 ILE 20 13.877 -7.965 -4.423 16 HD11 ILE 20 HD11 ILE 20 10.183 -6.838 -4.137 17 HD12 ILE 20 HD12 ILE 20 11.016 -6.474 -5.649 18 HD13 ILE 20 HD13 ILE 20 11.935 -6.633 -4.150 19 H ASP 21 H ASP 21 10.294 -7.212 -7.216 20 HA ASP 21 HA ASP 21 10.944 -5.396 -9.234 21 HB2 ASP 21 HB2 ASP 21 9.261 -5.112 -6.747 22 HB3 ASP 21 HB3 ASP 21 9.415 -3.822 -7.932 23 H VAL 22 H VAL 22 11.006 -2.894 -8.460 24 HA VAL 22 HA VAL 22 13.642 -2.487 -7.433 25 HB VAL 22 HB VAL 22 12.595 -1.026 -9.146 26 HG11 VAL 22 HG11 VAL 22 10.914 -0.046 -6.898 27 HG12 VAL 22 HG12 VAL 22 10.354 -0.934 -8.305 28 HG13 VAL 22 HG13 VAL 22 11.012 0.693 -8.488 29 HG21 VAL 22 HG21 VAL 22 14.518 -0.202 -7.924 30 HG22 VAL 22 HG22 VAL 22 13.463 0.404 -6.647 31 HG23 VAL 22 HG23 VAL 22 13.395 1.116 -8.260 32 H LEU 23 H LEU 23 10.805 -3.192 -5.942 33 HA LEU 23 HA LEU 23 10.949 -1.418 -3.688 34 HB2 LEU 23 HB2 LEU 23 9.387 -3.983 -3.802 35 HB3 LEU 23 HB3 LEU 23 9.045 -2.545 -2.862 36 HG LEU 23 HG LEU 23 8.721 -2.877 -5.843 37 HD11 LEU 23 HD11 LEU 23 6.723 -2.403 -3.642 38 HD12 LEU 23 HD12 LEU 23 6.973 -3.914 -4.514 39 HD13 LEU 23 HD13 LEU 23 6.360 -2.495 -5.366 40 HD21 LEU 23 HD21 LEU 23 9.500 -0.644 -5.478 41 HD22 LEU 23 HD22 LEU 23 8.387 -0.424 -4.126 42 HD23 LEU 23 HD23 LEU 23 7.762 -0.582 -5.766 43 H GLN 24 H GLN 24 13.210 -1.921 -3.239 44 HA GLN 24 HA GLN 24 13.862 -4.540 -2.256 45 HB2 GLN 24 HB2 GLN 24 15.426 -1.960 -2.269 46 HB3 GLN 24 HB3 GLN 24 16.071 -3.500 -1.723 47 HG2 GLN 24 HG2 GLN 24 15.033 -2.976 -4.498 48 HG3 GLN 24 HG3 GLN 24 16.729 -2.889 -4.029 49 HE21 GLN 24 HE22 GLN 24 16.528 -5.135 -2.193 50 HE22 GLN 24 HE21 GLN 24 16.426 -6.558 -3.170 51 H PHE 25 H PHE 25 12.805 -5.055 -0.414 52 HA PHE 25 HA PHE 25 12.747 -3.233 1.845 53 HB2 PHE 25 HB2 PHE 25 11.967 -6.162 1.787 54 HB3 PHE 25 HB3 PHE 25 11.499 -4.963 2.997 55 HD1 PHE 25 HD1 PHE 25 10.211 -2.884 2.026 56 HD2 PHE 25 HD2 PHE 25 10.469 -6.679 0.122 57 HE1 PHE 25 HE1 PHE 25 8.164 -2.382 0.762 58 HE2 PHE 25 HE2 PHE 25 8.422 -6.180 -1.149 59 HZ PHE 25 HZ PHE 25 7.302 -4.024 -0.885 60 H LYS 26 H LYS 26 14.125 -3.143 3.403 61 HA LYS 26 HA LYS 26 16.657 -4.183 3.380 62 HB2 LYS 26 HB2 LYS 26 16.628 -2.496 4.866 63 HB3 LYS 26 HB3 LYS 26 14.929 -2.724 5.214 64 HG2 LYS 26 HG2 LYS 26 16.332 -4.849 6.436 65 HG3 LYS 26 HG3 LYS 26 17.175 -3.347 6.823 66 HD2 LYS 26 HD2 LYS 26 14.197 -3.691 7.106 67 HD3 LYS 26 HD3 LYS 26 15.335 -4.005 8.422 68 HE2 LYS 26 HE2 LYS 26 14.988 -1.384 6.966 69 HE3 LYS 26 HE3 LYS 26 14.369 -1.758 8.573 70 HZ1 LYS 26 HZ1 LYS 26 17.190 -1.450 7.724 71 HZ2 LYS 26 HZ2 LYS 26 16.764 -2.211 9.183 72 HZ3 LYS 26 HZ3 LYS 26 16.345 -0.593 8.921 73 H ASP 27 H ASP 27 13.761 -5.493 4.778 74 HA ASP 27 HA ASP 27 14.703 -8.144 4.857 75 HB2 ASP 27 HB2 ASP 27 15.743 -6.840 6.967 76 HB3 ASP 27 HB3 ASP 27 14.157 -7.201 7.640 77 H GLU 28 H GLU 28 12.914 -9.260 6.670 78 HA GLU 28 HA GLU 28 10.449 -8.773 5.339 79 HB2 GLU 28 HB2 GLU 28 9.532 -10.497 6.583 80 HB3 GLU 28 HB3 GLU 28 11.234 -10.918 6.618 81 HG2 GLU 28 HG2 GLU 28 9.884 -9.401 8.830 82 HG3 GLU 28 HG3 GLU 28 9.955 -11.158 8.776 83 H ALA 29 H ALA 29 11.978 -7.439 8.113 84 HA ALA 29 HA ALA 29 9.844 -6.281 9.473 85 HB1 ALA 29 HB1 ALA 29 11.427 -4.866 10.510 86 HB2 ALA 29 HB2 ALA 29 12.533 -4.986 9.141 87 HB3 ALA 29 HB3 ALA 29 12.264 -6.384 10.185 88 H GLN 30 H GLN 30 11.758 -4.954 6.759 89 HA GLN 30 HA GLN 30 10.354 -2.483 6.710 90 HB2 GLN 30 HB2 GLN 30 12.612 -3.061 5.516 91 HB3 GLN 30 HB3 GLN 30 11.577 -3.685 4.240 92 HG2 GLN 30 HG2 GLN 30 10.519 -1.570 3.961 93 HG3 GLN 30 HG3 GLN 30 11.377 -0.902 5.345 94 HE21 GLN 30 HE22 GLN 30 11.278 0.010 2.590 95 HE22 GLN 30 HE21 GLN 30 12.922 0.052 2.039 96 H GLU 31 H GLU 31 9.899 -5.615 5.303 97 HA GLU 31 HA GLU 31 7.742 -4.857 3.593 98 HB2 GLU 31 HB2 GLU 31 9.104 -6.763 3.027 99 HB3 GLU 31 HB3 GLU 31 8.731 -7.541 4.551 100 HG2 GLU 31 HG2 GLU 31 6.459 -7.881 3.896 101 HG3 GLU 31 HG3 GLU 31 6.675 -6.890 2.458 102 H GLN 32 H GLN 32 8.021 -5.503 6.950 103 HA GLN 32 HA GLN 32 5.278 -6.198 7.429 104 HB2 GLN 32 HB2 GLN 32 7.352 -4.963 9.272 105 HB3 GLN 32 HB3 GLN 32 5.788 -5.572 9.791 106 HG2 GLN 32 HG2 GLN 32 6.432 -7.817 9.097 107 HG3 GLN 32 HG3 GLN 32 7.994 -7.201 8.556 108 HE21 GLN 32 HE22 GLN 32 9.073 -8.564 9.971 109 HE22 GLN 32 HE21 GLN 32 9.141 -8.256 11.668 110 H GLN 33 H GLN 33 7.159 -3.153 7.576 111 HA GLN 33 HA GLN 33 5.018 -1.427 8.124 112 HB2 GLN 33 HB2 GLN 33 7.282 -0.552 8.093 113 HB3 GLN 33 HB3 GLN 33 7.464 -0.967 6.397 114 HG2 GLN 33 HG2 GLN 33 5.768 0.660 5.797 115 HG3 GLN 33 HG3 GLN 33 5.518 1.045 7.500 116 HE21 GLN 33 HE22 GLN 33 8.313 0.934 8.200 117 HE22 GLN 33 HE21 GLN 33 9.047 2.352 7.517 118 H PHE 34 H PHE 34 6.289 -2.733 5.142 119 HA PHE 34 HA PHE 34 4.538 -1.569 3.324 120 HB2 PHE 34 HB2 PHE 34 6.613 -2.879 2.814 121 HB3 PHE 34 HB3 PHE 34 5.726 -4.347 3.205 122 HD1 PHE 34 HD1 PHE 34 5.753 -1.436 0.921 123 HD2 PHE 34 HD2 PHE 34 4.459 -5.428 1.598 124 HE1 PHE 34 HE1 PHE 34 4.936 -1.562 -1.393 125 HE2 PHE 34 HE2 PHE 34 3.643 -5.565 -0.716 126 HZ PHE 34 HZ PHE 34 3.979 -3.652 -2.243 127 H ARG 35 H ARG 35 4.245 -4.488 5.295 128 HA ARG 35 HA ARG 35 1.798 -5.467 4.379 129 HB2 ARG 35 HB2 ARG 35 3.492 -5.798 6.716 130 HB3 ARG 35 HB3 ARG 35 1.793 -5.871 7.143 131 HG2 ARG 35 HG2 ARG 35 2.788 -8.062 6.688 132 HG3 ARG 35 HG3 ARG 35 1.424 -7.688 5.626 133 HD2 ARG 35 HD2 ARG 35 3.687 -6.734 4.307 134 HD3 ARG 35 HD3 ARG 35 4.174 -8.286 4.984 135 HE ARG 35 HE ARG 35 1.756 -8.802 3.838 136 HH11 ARG 35 HH11 ARG 35 4.766 -7.461 2.700 137 HH12 ARG 35 HH12 ARG 35 4.581 -8.056 1.079 138 HH21 ARG 35 HH22 ARG 35 1.476 -9.589 1.694 139 HH22 ARG 35 HH21 ARG 35 2.700 -9.257 0.505 140 H GLN 36 H GLN 36 2.452 -3.170 7.011 141 HA GLN 36 HA GLN 36 -0.262 -2.765 7.703 142 HB2 GLN 36 HB2 GLN 36 2.092 -0.910 8.117 143 HB3 GLN 36 HB3 GLN 36 0.556 -0.832 8.967 144 HG2 GLN 36 HG2 GLN 36 0.985 -2.833 10.135 145 HG3 GLN 36 HG3 GLN 36 2.343 -3.238 9.085 146 HE21 GLN 36 HE22 GLN 36 3.760 -3.423 10.812 147 HE22 GLN 36 HE21 GLN 36 4.344 -2.040 11.676 148 H LEU 37 H LEU 37 1.960 -1.029 5.605 149 HA LEU 37 HA LEU 37 0.228 1.150 5.112 150 HB2 LEU 37 HB2 LEU 37 2.612 0.140 3.561 151 HB3 LEU 37 HB3 LEU 37 1.810 1.673 3.269 152 HG LEU 37 HG LEU 37 3.323 0.856 5.746 153 HD11 LEU 37 HD11 LEU 37 4.843 1.434 4.033 154 HD12 LEU 37 HD12 LEU 37 4.721 2.837 5.097 155 HD13 LEU 37 HD13 LEU 37 3.875 2.828 3.549 156 HD21 LEU 37 HD21 LEU 37 2.920 3.239 6.443 157 HD22 LEU 37 HD22 LEU 37 1.521 2.168 6.523 158 HD23 LEU 37 HD23 LEU 37 1.681 3.312 5.189 159 H THR 38 H THR 38 0.455 -2.033 3.762 160 HA THR 38 HA THR 38 -1.264 -1.286 1.534 161 HB THR 38 HB THR 38 -1.145 -3.795 1.019 162 HG1 THR 38 HG1 THR 38 1.115 -3.616 2.743 163 HG21 THR 38 HG21 THR 38 1.191 -1.917 0.809 164 HG22 THR 38 HG22 THR 38 -0.001 -2.333 -0.415 165 HG23 THR 38 HG23 THR 38 1.205 -3.517 0.079 166 H GLU 39 H GLU 39 -1.498 -2.683 4.715 167 HA GLU 39 HA GLU 39 -4.078 -3.888 4.127 168 HB2 GLU 39 HB2 GLU 39 -2.339 -3.886 6.564 169 HB3 GLU 39 HB3 GLU 39 -4.015 -4.413 6.645 170 HG2 GLU 39 HG2 GLU 39 -3.233 -5.877 4.563 171 HG3 GLU 39 HG3 GLU 39 -1.679 -5.698 5.373 172 H GLU 40 H GLU 40 -2.825 -1.102 5.912 173 HA GLU 40 HA GLU 40 -5.502 -0.426 6.800 174 HB2 GLU 40 HB2 GLU 40 -2.852 0.977 7.149 175 HB3 GLU 40 HB3 GLU 40 -4.376 1.635 7.730 176 HG2 GLU 40 HG2 GLU 40 -4.642 -0.593 8.971 177 HG3 GLU 40 HG3 GLU 40 -2.926 -0.821 8.644 178 H LEU 41 H LEU 41 -5.538 -0.669 4.195 179 HA LEU 41 HA LEU 41 -6.145 2.038 3.294 180 HB2 LEU 41 HB2 LEU 41 -4.029 1.679 2.264 181 HB3 LEU 41 HB3 LEU 41 -4.422 0.028 1.846 182 HG LEU 41 HG LEU 41 -5.962 0.772 0.133 183 HD11 LEU 41 HD11 LEU 41 -6.882 2.734 1.118 184 HD12 LEU 41 HD12 LEU 41 -6.113 3.199 -0.408 185 HD13 LEU 41 HD13 LEU 41 -5.305 3.536 1.124 186 HD21 LEU 41 HD21 LEU 41 -3.716 0.519 -0.599 187 HD22 LEU 41 HD22 LEU 41 -3.263 2.088 0.067 188 HD23 LEU 41 HD23 LEU 41 -4.339 2.001 -1.326 189 H ARG 42 H ARG 42 -8.000 2.121 2.010 190 HA ARG 42 HA ARG 42 -9.605 -0.266 2.240 191 HB2 ARG 42 HB2 ARG 42 -10.510 1.990 2.855 192 HB3 ARG 42 HB3 ARG 42 -10.437 2.421 1.151 193 HG2 ARG 42 HG2 ARG 42 -11.946 0.500 0.667 194 HG3 ARG 42 HG3 ARG 42 -12.109 0.264 2.407 195 HD2 ARG 42 HD2 ARG 42 -13.076 2.464 2.654 196 HD3 ARG 42 HD3 ARG 42 -12.825 2.795 0.938 197 HE ARG 42 HE ARG 42 -14.365 0.773 0.622 198 HH11 ARG 42 HH11 ARG 42 -14.657 3.142 3.195 199 HH12 ARG 42 HH12 ARG 42 -16.339 2.795 3.479 200 HH21 ARG 42 HH22 ARG 42 -16.572 0.332 1.003 201 HH22 ARG 42 HH21 ARG 42 -17.422 1.207 2.241 202 H CYS 43 H CYS 43 -9.358 -1.749 0.711 203 HA CYS 43 HA CYS 43 -8.914 -1.024 -2.045 204 HB2 CYS 43 HB2 CYS 43 -9.141 -3.533 -2.387 205 HB3 CYS 43 HB3 CYS 43 -7.819 -3.012 -1.348 206 HG CYS 43 HG CYS 43 -8.831 -5.326 -0.235 207 HA PRO 44 HA PRO 44 -13.250 -0.403 -2.749 208 HB2 PRO 44 HB3 PRO 44 -12.502 -0.299 -5.590 209 HB3 PRO 44 HB2 PRO 44 -13.198 0.960 -4.561 210 HG2 PRO 44 HG2 PRO 44 -10.654 1.078 -5.403 211 HG3 PRO 44 HG3 PRO 44 -11.134 1.662 -3.800 212 HD2 PRO 44 HD2 PRO 44 -9.827 -0.930 -4.556 213 HD3 PRO 44 HD3 PRO 44 -9.461 0.161 -3.202 214 H LYS 45 H LYS 45 -13.500 -2.738 -2.171 215 HA LYS 45 HA LYS 45 -14.972 -4.035 -4.247 216 HB2 LYS 45 HB2 LYS 45 -12.705 -4.787 -4.847 217 HB3 LYS 45 HB3 LYS 45 -12.489 -5.425 -3.223 218 HG2 LYS 45 HG2 LYS 45 -13.030 -7.199 -4.784 219 HG3 LYS 45 HG3 LYS 45 -14.310 -7.005 -3.592 220 HD2 LYS 45 HD2 LYS 45 -15.687 -5.842 -5.161 221 HD3 LYS 45 HD3 LYS 45 -14.378 -5.772 -6.340 222 HE2 LYS 45 HE2 LYS 45 -15.455 -8.382 -5.317 223 HE3 LYS 45 HE3 LYS 45 -16.197 -7.542 -6.680 224 HZ1 LYS 45 HZ1 LYS 45 -13.343 -8.384 -6.553 225 HZ2 LYS 45 HZ2 LYS 45 -14.123 -7.661 -7.874 226 HZ3 LYS 45 HZ3 LYS 45 -14.571 -9.217 -7.376 227 H CYS 46 H CYS 46 -13.421 -4.284 -1.100 228 HA CYS 46 HA CYS 46 -14.176 -4.886 0.949 229 HB2 CYS 46 HB2 CYS 46 -16.903 -5.166 -0.317 230 HB3 CYS 46 HB3 CYS 46 -16.555 -5.074 1.407 231 HG CYS 46 HG CYS 46 -17.346 -2.665 -0.527 232 H GLN 47 H GLN 47 -15.131 -6.855 -1.760 233 HA GLN 47 HA GLN 47 -15.092 -9.271 -0.124 234 HB2 GLN 47 HB2 GLN 47 -15.767 -8.825 -3.033 235 HB3 GLN 47 HB3 GLN 47 -15.876 -10.376 -2.197 236 HG2 GLN 47 HG2 GLN 47 -17.422 -7.889 -1.485 237 HG3 GLN 47 HG3 GLN 47 -18.056 -9.277 -2.377 238 HE21 GLN 47 HE22 GLN 47 -17.008 -8.090 0.717 239 HE22 GLN 47 HE21 GLN 47 -17.629 -9.393 1.667 240 H ASN 48 H ASN 48 -12.752 -7.688 -0.604 241 HA ASN 48 HA ASN 48 -10.989 -9.777 -1.596 242 HB2 ASN 48 HB2 ASN 48 -11.426 -8.256 -3.542 243 HB3 ASN 48 HB3 ASN 48 -10.823 -6.910 -2.583 244 HD21 ASN 48 HD22 ASN 48 -9.162 -6.477 -4.017 245 HD22 ASN 48 HD21 ASN 48 -7.782 -7.501 -4.176 246 H ASN 49 H ASN 49 -8.851 -9.540 -0.695 247 HA ASN 49 HA ASN 49 -8.950 -8.228 1.876 248 HB2 ASN 49 HB2 ASN 49 -6.852 -9.347 2.354 249 HB3 ASN 49 HB3 ASN 49 -7.975 -10.501 1.647 250 HD21 ASN 49 HD22 ASN 49 -5.047 -10.507 1.808 251 HD22 ASN 49 HD21 ASN 49 -4.493 -10.661 0.172 252 H SER 50 H SER 50 -6.522 -7.341 2.442 253 HA SER 50 HA SER 50 -6.390 -4.822 1.215 254 HB2 SER 50 HB2 SER 50 -4.186 -6.205 2.750 255 HB3 SER 50 HB3 SER 50 -4.447 -4.468 2.584 256 HG SER 50 HG SER 50 -5.825 -6.357 4.138 257 H ILE 51 H ILE 51 -4.571 -3.910 0.028 258 HA ILE 51 HA ILE 51 -4.149 -5.381 -2.354 259 HB ILE 51 HB ILE 51 -2.762 -3.486 -3.095 260 HG12 ILE 51 HG12 ILE 51 -3.311 -2.227 -0.410 261 HG13 ILE 51 HG13 ILE 51 -1.808 -3.071 -0.767 262 HG21 ILE 51 HG21 ILE 51 -5.153 -3.361 -3.374 263 HG22 ILE 51 HG22 ILE 51 -4.527 -1.765 -2.958 264 HG23 ILE 51 HG23 ILE 51 -5.345 -2.737 -1.735 265 HD11 ILE 51 HD11 ILE 51 -2.844 -0.714 -2.319 266 HD12 ILE 51 HD12 ILE 51 -1.274 -1.501 -2.491 267 HD13 ILE 51 HD13 ILE 51 -1.663 -0.620 -1.011 268 H ALA 52 H ALA 52 -2.586 -5.683 0.528 269 HA ALA 52 HA ALA 52 0.115 -5.937 -0.067 270 HB1 ALA 52 HB1 ALA 52 -1.450 -7.701 1.814 271 HB2 ALA 52 HB2 ALA 52 -0.902 -6.071 2.208 272 HB3 ALA 52 HB3 ALA 52 0.275 -7.343 1.875 273 H ASP 53 H ASP 53 -2.494 -8.314 -0.328 274 HA ASP 53 HA ASP 53 -0.905 -9.827 -2.267 275 HB2 ASP 53 HB2 ASP 53 -2.249 -11.018 0.172 276 HB3 ASP 53 HB3 ASP 53 -1.656 -11.970 -1.182 277 H SER 54 H SER 54 -2.575 -8.403 -3.425 278 HA SER 54 HA SER 54 -5.222 -9.666 -3.491 279 HB2 SER 54 HB2 SER 54 -4.270 -7.106 -4.796 280 HB3 SER 54 HB3 SER 54 -5.932 -7.693 -4.757 281 HG SER 54 HG SER 54 -5.408 -7.668 -2.306 282 H ASN 55 H ASN 55 -2.263 -9.613 -5.111 283 HA ASN 55 HA ASN 55 -1.481 -10.738 -6.921 284 HB2 ASN 55 HB2 ASN 55 -4.308 -11.787 -7.108 285 HB3 ASN 55 HB3 ASN 55 -2.990 -12.321 -8.146 286 HD21 ASN 55 HD22 ASN 55 -4.613 -13.831 -6.260 287 HD22 ASN 55 HD21 ASN 55 -3.499 -14.539 -5.133 288 H SER 56 H SER 56 -3.477 -8.212 -7.027 289 HA SER 56 HA SER 56 -3.810 -8.142 -9.918 290 HB2 SER 56 HB2 SER 56 -5.712 -7.441 -8.572 291 HB3 SER 56 HB3 SER 56 -4.730 -6.208 -7.784 292 HG SER 56 HG SER 56 -5.944 -6.206 -10.254 293 H MET 57 H MET 57 -2.671 -6.906 -11.244 294 HA MET 57 HA MET 57 -0.164 -5.878 -10.608 295 HB2 MET 57 HB2 MET 57 -1.675 -4.646 -12.865 296 HB3 MET 57 HB3 MET 57 -0.012 -5.203 -12.811 297 HG2 MET 57 HG2 MET 57 -0.608 -7.055 -13.829 298 HG3 MET 57 HG3 MET 57 -1.678 -7.449 -12.483 299 HE1 MET 57 HE1 MET 57 -5.046 -5.824 -13.570 300 HE2 MET 57 HE2 MET 57 -3.827 -5.518 -12.329 301 HE3 MET 57 HE3 MET 57 -4.412 -7.160 -12.610 302 H ILE 58 H ILE 58 -3.318 -4.390 -10.628 303 HA ILE 58 HA ILE 58 -2.315 -1.712 -10.474 304 HB ILE 58 HB ILE 58 -4.447 -1.006 -10.776 305 HG12 ILE 58 HG12 ILE 58 -6.456 -2.488 -9.943 306 HG13 ILE 58 HG13 ILE 58 -5.239 -3.178 -8.873 307 HG21 ILE 58 HG21 ILE 58 -4.488 -3.894 -11.618 308 HG22 ILE 58 HG22 ILE 58 -4.152 -2.461 -12.597 309 HG23 ILE 58 HG23 ILE 58 -5.789 -2.765 -12.015 310 HD11 ILE 58 HD11 ILE 58 -6.329 -0.400 -8.967 311 HD12 ILE 58 HD12 ILE 58 -4.720 -0.717 -8.303 312 HD13 ILE 58 HD13 ILE 58 -6.143 -1.491 -7.589 313 H ALA 59 H ALA 59 -3.332 -4.165 -8.190 314 HA ALA 59 HA ALA 59 -3.314 -2.535 -5.873 315 HB1 ALA 59 HB1 ALA 59 -2.705 -5.473 -6.197 316 HB2 ALA 59 HB2 ALA 59 -4.257 -4.757 -5.765 317 HB3 ALA 59 HB3 ALA 59 -2.897 -4.657 -4.646 318 H THR 60 H THR 60 -0.856 -4.455 -7.513 319 HA THR 60 HA THR 60 1.350 -3.786 -5.924 320 HB THR 60 HB THR 60 1.179 -4.490 -8.855 321 HG1 THR 60 HG1 THR 60 1.247 -6.524 -8.151 322 HG21 THR 60 HG21 THR 60 3.271 -3.281 -8.246 323 HG22 THR 60 HG22 THR 60 3.536 -4.934 -8.805 324 HG23 THR 60 HG23 THR 60 3.621 -4.558 -7.082 325 H ASP 61 H ASP 61 -0.141 -2.126 -8.640 326 HA ASP 61 HA ASP 61 1.645 -0.118 -9.219 327 HB2 ASP 61 HB2 ASP 61 -0.736 -0.605 -10.175 328 HB3 ASP 61 HB3 ASP 61 -1.293 0.452 -8.890 329 H LEU 62 H LEU 62 -0.895 -0.086 -6.753 330 HA LEU 62 HA LEU 62 -0.189 2.427 -5.628 331 HB2 LEU 62 HB2 LEU 62 -1.681 0.185 -4.269 332 HB3 LEU 62 HB3 LEU 62 -1.783 1.893 -3.911 333 HG LEU 62 HG LEU 62 -2.793 0.550 -6.416 334 HD11 LEU 62 HD11 LEU 62 -4.060 0.131 -4.306 335 HD12 LEU 62 HD12 LEU 62 -4.977 0.959 -5.565 336 HD13 LEU 62 HD13 LEU 62 -4.337 1.870 -4.197 337 HD21 LEU 62 HD21 LEU 62 -3.725 2.720 -6.988 338 HD22 LEU 62 HD22 LEU 62 -1.972 2.827 -6.828 339 HD23 LEU 62 HD23 LEU 62 -3.012 3.428 -5.538 340 H ARG 63 H ARG 63 0.654 -0.908 -4.915 341 HA ARG 63 HA ARG 63 1.856 -0.509 -2.415 342 HB2 ARG 63 HB2 ARG 63 2.390 -2.566 -4.547 343 HB3 ARG 63 HB3 ARG 63 3.148 -2.603 -2.962 344 HG2 ARG 63 HG2 ARG 63 0.775 -2.565 -2.027 345 HG3 ARG 63 HG3 ARG 63 0.265 -2.970 -3.668 346 HD2 ARG 63 HD2 ARG 63 2.262 -4.528 -2.046 347 HD3 ARG 63 HD3 ARG 63 0.561 -4.940 -2.198 348 HE ARG 63 HE ARG 63 1.048 -5.165 -4.659 349 HH11 ARG 63 HH11 ARG 63 3.545 -5.637 -2.259 350 HH12 ARG 63 HH12 ARG 63 4.566 -6.578 -3.300 351 HH21 ARG 63 HH22 ARG 63 2.389 -6.407 -6.053 352 HH22 ARG 63 HH21 ARG 63 3.917 -6.999 -5.461 353 H GLN 64 H GLN 64 3.108 -0.101 -5.672 354 HA GLN 64 HA GLN 64 5.812 0.219 -4.971 355 HB2 GLN 64 HB2 GLN 64 4.277 1.377 -7.290 356 HB3 GLN 64 HB3 GLN 64 6.028 1.368 -7.152 357 HG2 GLN 64 HG2 GLN 64 5.991 -1.087 -7.092 358 HG3 GLN 64 HG3 GLN 64 4.243 -1.049 -7.296 359 HE21 GLN 64 HE22 GLN 64 4.354 1.221 -9.123 360 HE22 GLN 64 HE21 GLN 64 4.940 0.602 -10.629 361 H LYS 65 H LYS 65 3.121 2.501 -5.144 362 HA LYS 65 HA LYS 65 4.580 4.832 -4.575 363 HB2 LYS 65 HB2 LYS 65 2.258 4.871 -5.348 364 HB3 LYS 65 HB3 LYS 65 1.729 4.169 -3.828 365 HG2 LYS 65 HG2 LYS 65 1.275 6.412 -3.512 366 HG3 LYS 65 HG3 LYS 65 2.866 6.245 -2.771 367 HD2 LYS 65 HD2 LYS 65 2.726 6.962 -5.657 368 HD3 LYS 65 HD3 LYS 65 2.345 8.204 -4.462 369 HE2 LYS 65 HE2 LYS 65 4.476 8.116 -3.522 370 HE3 LYS 65 HE3 LYS 65 4.821 6.551 -4.243 371 HZ1 LYS 65 HZ1 LYS 65 4.466 9.024 -5.842 372 HZ2 LYS 65 HZ2 LYS 65 5.080 7.530 -6.365 373 HZ3 LYS 65 HZ3 LYS 65 5.974 8.489 -5.290 374 H VAL 66 H VAL 66 2.950 2.499 -2.492 375 HA VAL 66 HA VAL 66 3.472 3.550 0.013 376 HB VAL 66 HB VAL 66 3.272 0.690 -0.926 377 HG11 VAL 66 HG11 VAL 66 4.737 1.070 1.161 378 HG12 VAL 66 HG12 VAL 66 3.445 -0.127 1.234 379 HG13 VAL 66 HG13 VAL 66 3.216 1.464 1.961 380 HG21 VAL 66 HG21 VAL 66 1.115 0.775 0.139 381 HG22 VAL 66 HG22 VAL 66 1.265 2.134 -0.974 382 HG23 VAL 66 HG23 VAL 66 1.446 2.392 0.760 383 H TYR 67 H TYR 67 5.652 1.725 -2.101 384 HA TYR 67 HA TYR 67 7.725 1.619 -0.122 385 HB2 TYR 67 HB2 TYR 67 7.585 -0.091 -1.876 386 HB3 TYR 67 HB3 TYR 67 7.892 1.138 -3.101 387 HD1 TYR 67 HD1 TYR 67 9.407 -0.393 -0.055 388 HD2 TYR 67 HD2 TYR 67 10.071 1.608 -3.749 389 HE1 TYR 67 HE1 TYR 67 11.825 -0.768 0.183 390 HE2 TYR 67 HE2 TYR 67 12.488 1.243 -3.519 391 HH TYR 67 HH TYR 67 14.139 0.771 -1.867 392 H GLU 68 H GLU 68 7.213 3.565 -3.083 393 HA GLU 68 HA GLU 68 9.537 5.074 -3.026 394 HB2 GLU 68 HB2 GLU 68 6.789 6.092 -3.766 395 HB3 GLU 68 HB3 GLU 68 8.328 6.767 -4.281 396 HG2 GLU 68 HG2 GLU 68 8.808 4.701 -5.500 397 HG3 GLU 68 HG3 GLU 68 7.246 4.058 -5.005 398 H LEU 69 H LEU 69 6.516 5.551 -1.297 399 HA LEU 69 HA LEU 69 7.138 8.057 -0.154 400 HB2 LEU 69 HB2 LEU 69 5.198 5.884 0.592 401 HB3 LEU 69 HB3 LEU 69 5.267 7.415 1.434 402 HG LEU 69 HG LEU 69 4.636 7.037 -1.495 403 HD11 LEU 69 HD11 LEU 69 2.892 6.375 0.193 404 HD12 LEU 69 HD12 LEU 69 2.412 7.615 -0.956 405 HD13 LEU 69 HD13 LEU 69 2.851 8.059 0.693 406 HD21 LEU 69 HD21 LEU 69 4.412 9.341 -1.704 407 HD22 LEU 69 HD22 LEU 69 5.887 9.172 -0.752 408 HD23 LEU 69 HD23 LEU 69 4.371 9.595 0.039 409 H MET 70 H MET 70 7.852 4.755 0.838 410 HA MET 70 HA MET 70 8.747 5.272 3.456 411 HB2 MET 70 HB2 MET 70 9.785 3.247 1.460 412 HB3 MET 70 HB3 MET 70 10.215 3.272 3.161 413 HG2 MET 70 HG2 MET 70 7.880 2.869 3.751 414 HG3 MET 70 HG3 MET 70 7.459 2.824 2.038 415 HE1 MET 70 HE1 MET 70 7.091 -0.910 2.797 416 HE2 MET 70 HE2 MET 70 6.357 0.573 2.182 417 HE3 MET 70 HE3 MET 70 6.665 0.392 3.910 418 H GLN 71 H GLN 71 10.370 5.476 0.327 419 HA GLN 71 HA GLN 71 12.970 6.030 1.351 420 HB2 GLN 71 HB2 GLN 71 12.193 7.057 -1.332 421 HB3 GLN 71 HB3 GLN 71 13.632 6.168 -0.847 422 HG2 GLN 71 HG2 GLN 71 12.327 4.112 -0.745 423 HG3 GLN 71 HG3 GLN 71 10.886 5.019 -1.214 424 HE21 GLN 71 HE22 GLN 71 14.045 5.673 -2.557 425 HE22 GLN 71 HE21 GLN 71 13.706 5.068 -4.143 426 H GLU 72 H GLU 72 10.301 7.944 0.125 427 HA GLU 72 HA GLU 72 11.499 10.480 0.344 428 HB2 GLU 72 HB2 GLU 72 8.576 9.771 0.646 429 HB3 GLU 72 HB3 GLU 72 9.210 11.389 0.381 430 HG2 GLU 72 HG2 GLU 72 10.187 10.529 -1.768 431 HG3 GLU 72 HG3 GLU 72 9.255 9.058 -1.500 432 H GLY 73 H GLY 73 9.906 8.443 2.714 433 HA2 GLY 73 HA2 GLY 73 10.618 8.529 4.997 434 HA3 GLY 73 HA3 GLY 73 10.971 10.238 4.788 435 H LYS 74 H LYS 74 8.061 8.683 3.656 436 HA LYS 74 HA LYS 74 6.412 10.580 5.029 437 HB2 LYS 74 HB2 LYS 74 5.495 8.061 3.657 438 HB3 LYS 74 HB3 LYS 74 4.578 9.530 3.931 439 HG2 LYS 74 HG2 LYS 74 7.036 9.523 2.215 440 HG3 LYS 74 HG3 LYS 74 5.447 9.097 1.577 441 HD2 LYS 74 HD2 LYS 74 4.586 11.208 1.978 442 HD3 LYS 74 HD3 LYS 74 5.887 11.650 3.089 443 HE2 LYS 74 HE2 LYS 74 7.431 11.481 1.103 444 HE3 LYS 74 HE3 LYS 74 5.991 11.347 0.098 445 HZ1 LYS 74 HZ1 LYS 74 6.509 13.604 0.071 446 HZ2 LYS 74 HZ2 LYS 74 6.880 13.646 1.728 447 HZ3 LYS 74 HZ3 LYS 74 5.270 13.495 1.223 448 H SER 75 H SER 75 4.722 10.001 6.483 449 HA SER 75 HA SER 75 5.520 7.981 8.419 450 HB2 SER 75 HB2 SER 75 3.269 10.007 8.538 451 HB3 SER 75 HB3 SER 75 3.861 9.023 9.879 452 HG SER 75 HG SER 75 4.766 11.392 9.009 453 H LYS 76 H LYS 76 3.611 6.657 9.370 454 HA LYS 76 HA LYS 76 2.819 4.935 7.310 455 HB2 LYS 76 HB2 LYS 76 2.245 5.166 10.195 456 HB3 LYS 76 HB3 LYS 76 1.116 4.212 9.246 457 HG2 LYS 76 HG2 LYS 76 2.812 2.785 10.178 458 HG3 LYS 76 HG3 LYS 76 2.972 2.833 8.432 459 HD2 LYS 76 HD2 LYS 76 4.609 4.671 10.127 460 HD3 LYS 76 HD3 LYS 76 5.089 2.986 9.946 461 HE2 LYS 76 HE2 LYS 76 5.053 3.302 7.488 462 HE3 LYS 76 HE3 LYS 76 4.704 5.007 7.743 463 HZ1 LYS 76 HZ1 LYS 76 7.132 3.614 8.725 464 HZ2 LYS 76 HZ2 LYS 76 6.799 5.268 8.879 465 HZ3 LYS 76 HZ3 LYS 76 7.068 4.587 7.348 466 H LYS 77 H LYS 77 0.742 7.148 9.193 467 HA LYS 77 HA LYS 77 -1.536 6.742 7.520 468 HB2 LYS 77 HB2 LYS 77 -0.990 9.206 9.180 469 HB3 LYS 77 HB3 LYS 77 -2.550 8.545 8.708 470 HG2 LYS 77 HG2 LYS 77 -0.586 7.359 10.641 471 HG3 LYS 77 HG3 LYS 77 -2.159 8.065 11.026 472 HD2 LYS 77 HD2 LYS 77 -3.244 6.287 9.688 473 HD3 LYS 77 HD3 LYS 77 -1.657 5.578 9.388 474 HE2 LYS 77 HE2 LYS 77 -1.376 5.326 11.851 475 HE3 LYS 77 HE3 LYS 77 -3.040 5.879 12.051 476 HZ1 LYS 77 HZ1 LYS 77 -3.745 3.997 10.646 477 HZ2 LYS 77 HZ2 LYS 77 -2.978 3.491 12.072 478 HZ3 LYS 77 HZ3 LYS 77 -2.141 3.447 10.603 479 H GLU 78 H GLU 78 1.190 8.887 7.463 480 HA GLU 78 HA GLU 78 0.301 10.702 5.511 481 HB2 GLU 78 HB2 GLU 78 2.298 11.105 6.850 482 HB3 GLU 78 HB3 GLU 78 3.110 9.741 6.097 483 HG2 GLU 78 HG2 GLU 78 3.917 11.797 5.161 484 HG3 GLU 78 HG3 GLU 78 3.016 10.897 3.941 485 H ILE 79 H ILE 79 1.881 7.536 5.200 486 HA ILE 79 HA ILE 79 2.276 7.599 2.427 487 HB ILE 79 HB ILE 79 2.142 5.441 4.457 488 HG12 ILE 79 HG12 ILE 79 4.125 4.828 2.664 489 HG13 ILE 79 HG13 ILE 79 4.051 6.581 2.540 490 HG21 ILE 79 HG21 ILE 79 1.224 5.045 1.698 491 HG22 ILE 79 HG22 ILE 79 0.929 4.077 3.146 492 HG23 ILE 79 HG23 ILE 79 2.441 3.893 2.254 493 HD11 ILE 79 HD11 ILE 79 4.357 5.103 5.136 494 HD12 ILE 79 HD12 ILE 79 4.531 6.834 4.856 495 HD13 ILE 79 HD13 ILE 79 5.706 5.709 4.174 496 H VAL 80 H VAL 80 -0.460 6.246 4.285 497 HA VAL 80 HA VAL 80 -1.949 5.566 1.968 498 HB VAL 80 HB VAL 80 -2.509 4.335 3.894 499 HG11 VAL 80 HG11 VAL 80 -2.980 6.947 5.308 500 HG12 VAL 80 HG12 VAL 80 -1.672 5.803 5.612 501 HG13 VAL 80 HG13 VAL 80 -3.340 5.357 5.977 502 HG21 VAL 80 HG21 VAL 80 -4.436 4.911 2.524 503 HG22 VAL 80 HG22 VAL 80 -4.684 6.354 3.503 504 HG23 VAL 80 HG23 VAL 80 -4.886 4.757 4.226 505 H ASP 81 H ASP 81 -1.789 8.416 3.983 506 HA ASP 81 HA ASP 81 -4.018 9.780 2.890 507 HB2 ASP 81 HB2 ASP 81 -2.980 10.531 4.961 508 HB3 ASP 81 HB3 ASP 81 -1.471 10.853 4.118 509 H TYR 82 H TYR 82 -0.636 9.549 1.982 510 HA TYR 82 HA TYR 82 -0.685 11.388 -0.168 511 HB2 TYR 82 HB2 TYR 82 1.360 10.220 0.967 512 HB3 TYR 82 HB3 TYR 82 1.019 8.908 -0.147 513 HD1 TYR 82 HD2 TYR 82 1.291 9.201 -2.561 514 HD2 TYR 82 HD1 TYR 82 2.318 12.301 0.165 515 HE1 TYR 82 HE2 TYR 82 2.584 10.314 -4.327 516 HE2 TYR 82 HE1 TYR 82 3.614 13.425 -1.599 517 HH TYR 82 HH TYR 82 4.776 12.815 -3.720 518 H MET 83 H MET 83 -1.325 7.952 0.126 519 HA MET 83 HA MET 83 -1.688 7.297 -2.556 520 HB2 MET 83 HB2 MET 83 -3.012 6.187 -0.077 521 HB3 MET 83 HB3 MET 83 -3.205 5.481 -1.674 522 HG2 MET 83 HG2 MET 83 -0.418 5.855 -1.007 523 HG3 MET 83 HG3 MET 83 -1.254 4.882 0.200 524 HE1 MET 83 HE1 MET 83 -0.293 5.228 -3.586 525 HE2 MET 83 HE2 MET 83 -2.055 5.153 -3.647 526 HE3 MET 83 HE3 MET 83 -1.091 3.822 -4.287 527 H VAL 84 H VAL 84 -4.133 8.365 -0.168 528 HA VAL 84 HA VAL 84 -6.207 8.381 -2.126 529 HB VAL 84 HB VAL 84 -7.649 9.368 -0.520 530 HG11 VAL 84 HG11 VAL 84 -5.749 7.519 0.894 531 HG12 VAL 84 HG12 VAL 84 -7.101 7.047 -0.130 532 HG13 VAL 84 HG13 VAL 84 -7.398 7.885 1.393 533 HG21 VAL 84 HG21 VAL 84 -6.709 11.166 0.497 534 HG22 VAL 84 HG22 VAL 84 -5.151 10.371 0.723 535 HG23 VAL 84 HG23 VAL 84 -6.500 9.982 1.787 536 H ALA 85 H ALA 85 -3.885 10.731 -1.052 537 HA ALA 85 HA ALA 85 -5.142 13.048 -2.002 538 HB1 ALA 85 HB1 ALA 85 -2.758 13.939 -2.088 539 HB2 ALA 85 HB2 ALA 85 -2.263 12.342 -1.521 540 HB3 ALA 85 HB3 ALA 85 -3.332 13.339 -0.532 541 H ARG 86 H ARG 86 -2.864 10.813 -3.553 542 HA ARG 86 HA ARG 86 -3.126 12.269 -6.083 543 HB2 ARG 86 HB2 ARG 86 -1.172 10.302 -4.991 544 HB3 ARG 86 HB3 ARG 86 -1.365 10.392 -6.734 545 HG2 ARG 86 HG2 ARG 86 0.449 11.785 -6.176 546 HG3 ARG 86 HG3 ARG 86 -0.906 12.861 -6.525 547 HD2 ARG 86 HD2 ARG 86 -1.345 13.074 -4.134 548 HD3 ARG 86 HD3 ARG 86 0.007 12.003 -3.786 549 HE ARG 86 HE ARG 86 1.095 14.004 -5.293 550 HH11 ARG 86 HH11 ARG 86 -0.753 13.914 -2.320 551 HH12 ARG 86 HH12 ARG 86 0.032 15.299 -1.636 552 HH21 ARG 86 HH22 ARG 86 2.148 15.818 -4.390 553 HH22 ARG 86 HH21 ARG 86 1.678 16.387 -2.810 554 H TYR 87 H TYR 87 -3.375 8.945 -4.867 555 HA TYR 87 HA TYR 87 -4.612 8.074 -7.366 556 HB2 TYR 87 HB2 TYR 87 -3.723 6.485 -4.955 557 HB3 TYR 87 HB3 TYR 87 -4.284 5.812 -6.477 558 HD1 TYR 87 HD1 TYR 87 -1.537 7.589 -4.803 559 HD2 TYR 87 HD2 TYR 87 -2.818 5.704 -8.391 560 HE1 TYR 87 HE1 TYR 87 0.781 7.598 -5.622 561 HE2 TYR 87 HE2 TYR 87 -0.504 5.712 -9.226 562 HH TYR 87 HH TYR 87 1.580 6.506 -8.884 563 H GLY 88 H GLY 88 -6.131 9.796 -5.613 564 HA2 GLY 88 HA2 GLY 88 -7.780 8.214 -3.905 565 HA3 GLY 88 HA3 GLY 88 -8.055 9.898 -4.341 566 H ASN 89 H ASN 89 -7.746 8.364 -7.206 567 HA ASN 89 HA ASN 89 -10.622 7.934 -7.465 568 HB2 ASN 89 HB2 ASN 89 -8.391 8.056 -9.499 569 HB3 ASN 89 HB3 ASN 89 -10.040 7.605 -9.916 570 HD21 ASN 89 HD22 ASN 89 -7.919 10.177 -8.966 571 HD22 ASN 89 HD21 ASN 89 -9.038 11.475 -9.241 572 H PHE 90 H PHE 90 -7.966 6.205 -6.611 573 HA PHE 90 HA PHE 90 -9.152 3.679 -7.548 574 HB2 PHE 90 HB2 PHE 90 -6.207 4.283 -7.196 575 HB3 PHE 90 HB3 PHE 90 -6.885 2.729 -7.669 576 HD1 PHE 90 HD2 PHE 90 -7.939 2.464 -9.876 577 HD2 PHE 90 HD1 PHE 90 -5.940 6.048 -8.760 578 HE1 PHE 90 HE2 PHE 90 -7.821 3.126 -12.240 579 HE2 PHE 90 HE1 PHE 90 -5.820 6.720 -11.122 580 HZ PHE 90 HZ PHE 90 -6.758 5.257 -12.866 581 H VAL 91 H VAL 91 -7.643 5.468 -4.962 582 HA VAL 91 HA VAL 91 -7.879 3.122 -3.192 583 HB VAL 91 HB VAL 91 -5.936 3.663 -2.125 584 HG11 VAL 91 HG11 VAL 91 -5.390 5.226 -4.642 585 HG12 VAL 91 HG12 VAL 91 -5.476 3.455 -4.590 586 HG13 VAL 91 HG13 VAL 91 -4.241 4.302 -3.658 587 HG21 VAL 91 HG21 VAL 91 -6.667 5.800 -1.269 588 HG22 VAL 91 HG22 VAL 91 -6.393 6.549 -2.842 589 HG23 VAL 91 HG23 VAL 91 -5.028 5.941 -1.906 590 H THR 92 H THR 92 -8.208 3.781 -0.817 591 HA THR 92 HA THR 92 -9.463 6.350 -0.386 592 HB THR 92 HB THR 92 -11.028 3.783 0.013 593 HG1 THR 92 HG1 THR 92 -10.846 5.457 -2.076 594 HG21 THR 92 HG21 THR 92 -11.455 5.362 1.814 595 HG22 THR 92 HG22 THR 92 -12.860 5.233 0.753 596 HG23 THR 92 HG23 THR 92 -11.792 6.632 0.637 597 H TYR 93 H TYR 93 -9.288 7.039 1.695 598 HA TYR 93 HA TYR 93 -7.763 5.343 3.517 599 HB2 TYR 93 HB2 TYR 93 -6.963 7.595 3.202 600 HB3 TYR 93 HB3 TYR 93 -8.540 8.273 3.558 601 HD1 TYR 93 HD1 TYR 93 -5.839 6.234 5.140 602 HD2 TYR 93 HD2 TYR 93 -8.952 9.077 5.685 603 HE1 TYR 93 HE1 TYR 93 -5.142 6.541 7.474 604 HE2 TYR 93 HE2 TYR 93 -8.268 9.389 8.026 605 HH TYR 93 HH TYR 93 -7.043 8.166 9.772 606 H ASP 94 H ASP 94 -8.962 3.959 4.600 607 HA ASP 94 HA ASP 94 -11.165 4.802 6.259 608 HB2 ASP 94 HB2 ASP 94 -11.615 3.527 3.646 609 HB3 ASP 94 HB3 ASP 94 -12.374 2.669 4.979 610 HA PRO 95 HA PRO 95 -9.957 1.052 8.488 611 HB2 PRO 95 HB3 PRO 95 -12.456 0.281 9.366 612 HB3 PRO 95 HB2 PRO 95 -11.451 1.487 10.179 613 HG2 PRO 95 HG2 PRO 95 -13.732 1.878 8.285 614 HG3 PRO 95 HG3 PRO 95 -13.336 2.773 9.765 615 HD2 PRO 95 HD2 PRO 95 -12.787 3.768 7.334 616 HD3 PRO 95 HD3 PRO 95 -11.703 4.036 8.714 617 HA PRO 96 HA PRO 96 -10.825 -1.731 5.183 618 HB2 PRO 96 HB3 PRO 96 -9.362 -3.843 6.386 619 HB3 PRO 96 HB2 PRO 96 -8.780 -2.661 5.220 620 HG2 PRO 96 HG2 PRO 96 -7.984 -2.875 7.888 621 HG3 PRO 96 HG3 PRO 96 -7.665 -1.516 6.801 622 HD2 PRO 96 HD2 PRO 96 -9.696 -1.798 8.937 623 HD3 PRO 96 HD3 PRO 96 -8.880 -0.347 8.322 624 H LEU 97 H LEU 97 -11.065 -4.382 5.189 625 HA LEU 97 HA LEU 97 -13.702 -4.743 6.303 626 HB2 LEU 97 HB2 LEU 97 -11.950 -6.452 4.568 627 HB3 LEU 97 HB3 LEU 97 -13.541 -6.957 5.095 628 HG LEU 97 HG LEU 97 -13.783 -6.159 2.874 629 HD11 LEU 97 HD11 LEU 97 -14.690 -4.009 4.774 630 HD12 LEU 97 HD12 LEU 97 -15.564 -5.486 4.366 631 HD13 LEU 97 HD13 LEU 97 -15.293 -4.252 3.135 632 HD21 LEU 97 HD21 LEU 97 -11.689 -4.910 2.709 633 HD22 LEU 97 HD22 LEU 97 -12.366 -3.639 3.727 634 HD23 LEU 97 HD23 LEU 97 -13.056 -3.955 2.134 635 H THR 98 H THR 98 -11.080 -4.784 7.851 636 HA THR 98 HA THR 98 -10.481 -7.249 8.900 637 HB THR 98 HB THR 98 -9.151 -5.272 9.395 638 HG1 THR 98 HG1 THR 98 -8.696 -5.782 11.518 639 HG21 THR 98 HG21 THR 98 -10.924 -3.620 9.636 640 HG22 THR 98 HG22 THR 98 -9.870 -3.613 11.049 641 HG23 THR 98 HG23 THR 98 -11.453 -4.386 11.135 642 HA PRO 99 HA PRO 99 -14.388 -8.308 10.794 643 HB2 PRO 99 HB3 PRO 99 -13.570 -10.742 11.724 644 HB3 PRO 99 HB2 PRO 99 -14.066 -10.448 10.055 645 HG2 PRO 99 HG2 PRO 99 -11.319 -10.652 11.210 646 HG3 PRO 99 HG3 PRO 99 -11.935 -11.259 9.662 647 HD2 PRO 99 HD2 PRO 99 -10.456 -8.991 9.887 648 HD3 PRO 99 HD3 PRO 99 -11.674 -9.231 8.620 Start of MODEL 12 1 H THR 19 H1 THR 19 12.162 -12.373 -11.360 2 HA THR 19 HA THR 19 10.976 -10.351 -13.158 3 HB THR 19 HB THR 19 10.765 -12.556 -14.160 4 HG1 THR 19 HG1 THR 19 8.389 -11.527 -12.969 5 HG21 THR 19 HG21 THR 19 9.483 -13.416 -11.569 6 HG22 THR 19 HG22 THR 19 11.054 -13.939 -12.173 7 HG23 THR 19 HG23 THR 19 9.584 -14.383 -13.041 8 H ILE 20 H ILE 20 11.535 -9.619 -10.631 9 HA ILE 20 HA ILE 20 8.934 -9.820 -9.268 10 HB ILE 20 HB ILE 20 10.870 -11.119 -8.196 11 HG12 ILE 20 HG12 ILE 20 8.685 -10.164 -7.078 12 HG13 ILE 20 HG13 ILE 20 9.949 -10.885 -6.093 13 HG21 ILE 20 HG21 ILE 20 11.767 -8.343 -7.451 14 HG22 ILE 20 HG22 ILE 20 12.613 -9.464 -8.520 15 HG23 ILE 20 HG23 ILE 20 12.422 -9.849 -6.810 16 HD11 ILE 20 HD11 ILE 20 9.065 -8.849 -5.099 17 HD12 ILE 20 HD12 ILE 20 9.527 -7.936 -6.537 18 HD13 ILE 20 HD13 ILE 20 10.769 -8.666 -5.517 19 H ASP 21 H ASP 21 8.361 -7.929 -8.020 20 HA ASP 21 HA ASP 21 8.778 -5.510 -9.337 21 HB2 ASP 21 HB2 ASP 21 7.635 -6.216 -6.657 22 HB3 ASP 21 HB3 ASP 21 7.831 -4.530 -7.124 23 H VAL 22 H VAL 22 9.648 -3.534 -8.498 24 HA VAL 22 HA VAL 22 12.379 -3.854 -7.685 25 HB VAL 22 HB VAL 22 11.528 -2.139 -9.327 26 HG11 VAL 22 HG11 VAL 22 9.560 -1.449 -7.983 27 HG12 VAL 22 HG12 VAL 22 10.544 -0.096 -8.544 28 HG13 VAL 22 HG13 VAL 22 10.655 -0.632 -6.868 29 HG21 VAL 22 HG21 VAL 22 13.768 -1.988 -8.357 30 HG22 VAL 22 HG22 VAL 22 13.119 -1.053 -7.008 31 HG23 VAL 22 HG23 VAL 22 13.080 -0.389 -8.643 32 H LEU 23 H LEU 23 9.808 -4.205 -5.886 33 HA LEU 23 HA LEU 23 10.354 -2.373 -3.717 34 HB2 LEU 23 HB2 LEU 23 8.497 -4.717 -3.514 35 HB3 LEU 23 HB3 LEU 23 8.391 -3.157 -2.723 36 HG LEU 23 HG LEU 23 7.726 -3.815 -5.586 37 HD11 LEU 23 HD11 LEU 23 6.078 -2.682 -3.336 38 HD12 LEU 23 HD12 LEU 23 6.006 -4.334 -3.951 39 HD13 LEU 23 HD13 LEU 23 5.522 -2.987 -4.982 40 HD21 LEU 23 HD21 LEU 23 8.820 -1.736 -5.763 41 HD22 LEU 23 HD22 LEU 23 8.067 -1.122 -4.292 42 HD23 LEU 23 HD23 LEU 23 7.094 -1.378 -5.738 43 H GLN 24 H GLN 24 12.528 -3.064 -3.326 44 HA GLN 24 HA GLN 24 12.931 -5.784 -2.411 45 HB2 GLN 24 HB2 GLN 24 14.871 -3.494 -2.711 46 HB3 GLN 24 HB3 GLN 24 15.312 -5.137 -2.269 47 HG2 GLN 24 HG2 GLN 24 13.960 -4.393 -4.851 48 HG3 GLN 24 HG3 GLN 24 15.704 -4.545 -4.655 49 HE21 GLN 24 HE22 GLN 24 15.842 -6.197 -6.148 50 HE22 GLN 24 HE21 GLN 24 15.271 -7.801 -5.815 51 H PHE 25 H PHE 25 12.763 -6.372 -0.392 52 HA PHE 25 HA PHE 25 12.947 -4.348 1.753 53 HB2 PHE 25 HB2 PHE 25 11.808 -7.151 1.914 54 HB3 PHE 25 HB3 PHE 25 11.636 -5.865 3.109 55 HD1 PHE 25 HD1 PHE 25 10.510 -3.672 2.206 56 HD2 PHE 25 HD2 PHE 25 10.088 -7.521 0.438 57 HE1 PHE 25 HE1 PHE 25 8.411 -2.951 1.148 58 HE2 PHE 25 HE2 PHE 25 7.990 -6.804 -0.626 59 HZ PHE 25 HZ PHE 25 7.175 -4.517 -0.325 60 H LYS 26 H LYS 26 14.474 -4.440 3.206 61 HA LYS 26 HA LYS 26 16.795 -5.924 2.896 62 HB2 LYS 26 HB2 LYS 26 17.194 -4.068 4.142 63 HB3 LYS 26 HB3 LYS 26 15.622 -4.122 4.908 64 HG2 LYS 26 HG2 LYS 26 17.425 -6.264 5.741 65 HG3 LYS 26 HG3 LYS 26 17.983 -4.632 6.148 66 HD2 LYS 26 HD2 LYS 26 15.422 -4.410 6.880 67 HD3 LYS 26 HD3 LYS 26 15.620 -6.148 7.105 68 HE2 LYS 26 HE2 LYS 26 17.315 -3.988 8.353 69 HE3 LYS 26 HE3 LYS 26 16.084 -4.943 9.172 70 HZ1 LYS 26 HZ1 LYS 26 18.332 -5.744 9.601 71 HZ2 LYS 26 HZ2 LYS 26 18.561 -6.042 7.952 72 HZ3 LYS 26 HZ3 LYS 26 17.402 -6.924 8.819 73 H ASP 27 H ASP 27 13.958 -6.475 4.845 74 HA ASP 27 HA ASP 27 14.461 -9.276 4.975 75 HB2 ASP 27 HB2 ASP 27 15.780 -8.144 6.939 76 HB3 ASP 27 HB3 ASP 27 14.186 -7.954 7.662 77 H GLU 28 H GLU 28 12.525 -10.076 6.743 78 HA GLU 28 HA GLU 28 10.146 -9.173 5.500 79 HB2 GLU 28 HB2 GLU 28 8.969 -10.678 6.813 80 HB3 GLU 28 HB3 GLU 28 10.561 -11.411 6.754 81 HG2 GLU 28 HG2 GLU 28 9.697 -9.653 9.022 82 HG3 GLU 28 HG3 GLU 28 9.352 -11.379 8.985 83 H ALA 29 H ALA 29 11.950 -8.113 8.246 84 HA ALA 29 HA ALA 29 10.078 -6.544 9.584 85 HB1 ALA 29 HB1 ALA 29 11.911 -5.405 10.575 86 HB2 ALA 29 HB2 ALA 29 12.977 -5.818 9.229 87 HB3 ALA 29 HB3 ALA 29 12.419 -7.076 10.333 88 H GLN 30 H GLN 30 12.096 -5.757 6.768 89 HA GLN 30 HA GLN 30 11.261 -3.035 6.647 90 HB2 GLN 30 HB2 GLN 30 13.300 -4.223 5.446 91 HB3 GLN 30 HB3 GLN 30 12.108 -4.537 4.197 92 HG2 GLN 30 HG2 GLN 30 11.826 -2.315 3.696 93 HG3 GLN 30 HG3 GLN 30 12.434 -1.781 5.261 94 HE21 GLN 30 HE22 GLN 30 14.645 -1.696 5.615 95 HE22 GLN 30 HE21 GLN 30 15.782 -1.690 4.303 96 H GLU 31 H GLU 31 10.085 -6.056 5.471 97 HA GLU 31 HA GLU 31 8.100 -4.950 3.722 98 HB2 GLU 31 HB2 GLU 31 9.101 -7.130 3.287 99 HB3 GLU 31 HB3 GLU 31 8.498 -7.740 4.816 100 HG2 GLU 31 HG2 GLU 31 6.174 -7.200 3.903 101 HG3 GLU 31 HG3 GLU 31 6.969 -7.051 2.336 102 H GLN 32 H GLN 32 8.338 -5.453 7.096 103 HA GLN 32 HA GLN 32 5.615 -5.958 7.693 104 HB2 GLN 32 HB2 GLN 32 7.835 -4.745 9.337 105 HB3 GLN 32 HB3 GLN 32 6.232 -5.087 9.984 106 HG2 GLN 32 HG2 GLN 32 6.523 -7.451 9.418 107 HG3 GLN 32 HG3 GLN 32 8.134 -7.097 8.802 108 HE21 GLN 32 HE22 GLN 32 7.298 -8.882 10.919 109 HE22 GLN 32 HE21 GLN 32 8.135 -8.371 12.349 110 H GLN 33 H GLN 33 7.496 -2.938 7.478 111 HA GLN 33 HA GLN 33 5.385 -1.171 8.009 112 HB2 GLN 33 HB2 GLN 33 7.705 -0.394 7.790 113 HB3 GLN 33 HB3 GLN 33 7.688 -0.787 6.079 114 HG2 GLN 33 HG2 GLN 33 5.964 0.885 5.694 115 HG3 GLN 33 HG3 GLN 33 5.926 1.247 7.421 116 HE21 GLN 33 HE22 GLN 33 8.895 0.570 5.728 117 HE22 GLN 33 HE21 GLN 33 9.536 2.170 5.819 118 H PHE 34 H PHE 34 6.476 -2.678 5.040 119 HA PHE 34 HA PHE 34 4.637 -1.601 3.243 120 HB2 PHE 34 HB2 PHE 34 6.530 -2.811 2.425 121 HB3 PHE 34 HB3 PHE 34 6.093 -4.246 3.338 122 HD1 PHE 34 HD1 PHE 34 5.160 -2.135 0.463 123 HD2 PHE 34 HD2 PHE 34 4.655 -5.876 2.427 124 HE1 PHE 34 HE1 PHE 34 3.960 -2.998 -1.501 125 HE2 PHE 34 HE2 PHE 34 3.458 -6.750 0.463 126 HZ PHE 34 HZ PHE 34 3.184 -5.365 -1.520 127 H ARG 35 H ARG 35 4.446 -4.434 5.345 128 HA ARG 35 HA ARG 35 2.003 -5.496 4.556 129 HB2 ARG 35 HB2 ARG 35 3.752 -5.635 6.889 130 HB3 ARG 35 HB3 ARG 35 2.063 -5.812 7.314 131 HG2 ARG 35 HG2 ARG 35 3.326 -7.929 6.904 132 HG3 ARG 35 HG3 ARG 35 1.825 -7.748 5.995 133 HD2 ARG 35 HD2 ARG 35 4.252 -6.757 4.672 134 HD3 ARG 35 HD3 ARG 35 4.181 -8.501 4.914 135 HE ARG 35 HE ARG 35 1.939 -7.106 3.627 136 HH11 ARG 35 HH11 ARG 35 4.563 -9.424 3.470 137 HH12 ARG 35 HH12 ARG 35 4.008 -10.130 1.982 138 HH21 ARG 35 HH22 ARG 35 1.209 -8.066 1.667 139 HH22 ARG 35 HH21 ARG 35 2.110 -9.375 0.968 140 H GLN 36 H GLN 36 2.641 -3.061 7.087 141 HA GLN 36 HA GLN 36 -0.105 -2.735 7.752 142 HB2 GLN 36 HB2 GLN 36 2.193 -0.824 8.241 143 HB3 GLN 36 HB3 GLN 36 0.631 -0.796 9.049 144 HG2 GLN 36 HG2 GLN 36 1.088 -2.924 10.094 145 HG3 GLN 36 HG3 GLN 36 2.614 -3.052 9.221 146 HE21 GLN 36 HE22 GLN 36 3.804 -3.185 11.101 147 HE22 GLN 36 HE21 GLN 36 4.067 -1.822 12.133 148 H LEU 37 H LEU 37 2.114 -0.962 5.683 149 HA LEU 37 HA LEU 37 0.381 1.206 5.205 150 HB2 LEU 37 HB2 LEU 37 2.736 0.179 3.627 151 HB3 LEU 37 HB3 LEU 37 1.926 1.703 3.314 152 HG LEU 37 HG LEU 37 3.482 0.939 5.780 153 HD11 LEU 37 HD11 LEU 37 4.913 1.534 3.956 154 HD12 LEU 37 HD12 LEU 37 4.873 2.878 5.099 155 HD13 LEU 37 HD13 LEU 37 3.943 2.965 3.604 156 HD21 LEU 37 HD21 LEU 37 3.027 3.298 6.489 157 HD22 LEU 37 HD22 LEU 37 1.630 2.222 6.544 158 HD23 LEU 37 HD23 LEU 37 1.805 3.376 5.220 159 H THR 38 H THR 38 0.558 -1.978 3.828 160 HA THR 38 HA THR 38 -1.180 -1.195 1.626 161 HB THR 38 HB THR 38 -1.089 -3.683 1.062 162 HG1 THR 38 HG1 THR 38 1.155 -3.595 2.818 163 HG21 THR 38 HG21 THR 38 1.248 -1.813 0.917 164 HG22 THR 38 HG22 THR 38 0.111 -2.274 -0.343 165 HG23 THR 38 HG23 THR 38 1.326 -3.424 0.211 166 H GLU 39 H GLU 39 -1.369 -2.738 4.767 167 HA GLU 39 HA GLU 39 -3.950 -3.908 4.131 168 HB2 GLU 39 HB2 GLU 39 -2.303 -4.008 6.653 169 HB3 GLU 39 HB3 GLU 39 -3.873 -4.779 6.468 170 HG2 GLU 39 HG2 GLU 39 -2.917 -6.032 4.517 171 HG3 GLU 39 HG3 GLU 39 -1.337 -5.402 4.980 172 H GLU 40 H GLU 40 -2.739 -1.081 5.758 173 HA GLU 40 HA GLU 40 -5.311 -0.581 7.010 174 HB2 GLU 40 HB2 GLU 40 -2.782 1.066 6.909 175 HB3 GLU 40 HB3 GLU 40 -4.251 1.576 7.729 176 HG2 GLU 40 HG2 GLU 40 -4.105 -0.470 9.132 177 HG3 GLU 40 HG3 GLU 40 -2.548 -0.816 8.379 178 H LEU 41 H LEU 41 -4.361 -0.440 3.950 179 HA LEU 41 HA LEU 41 -5.611 2.103 3.287 180 HB2 LEU 41 HB2 LEU 41 -3.632 1.611 2.043 181 HB3 LEU 41 HB3 LEU 41 -4.216 0.018 1.614 182 HG LEU 41 HG LEU 41 -5.840 0.937 0.106 183 HD11 LEU 41 HD11 LEU 41 -6.570 2.866 1.316 184 HD12 LEU 41 HD12 LEU 41 -5.974 3.389 -0.267 185 HD13 LEU 41 HD13 LEU 41 -4.975 3.619 1.170 186 HD21 LEU 41 HD21 LEU 41 -3.716 0.672 -0.892 187 HD22 LEU 41 HD22 LEU 41 -3.102 2.142 -0.136 188 HD23 LEU 41 HD23 LEU 41 -4.312 2.249 -1.415 189 H ARG 42 H ARG 42 -7.607 2.327 2.448 190 HA ARG 42 HA ARG 42 -9.307 -0.008 2.642 191 HB2 ARG 42 HB2 ARG 42 -9.698 2.540 3.459 192 HB3 ARG 42 HB3 ARG 42 -10.465 2.603 1.883 193 HG2 ARG 42 HG2 ARG 42 -11.157 0.418 3.794 194 HG3 ARG 42 HG3 ARG 42 -11.874 2.020 3.967 195 HD2 ARG 42 HD2 ARG 42 -12.653 1.867 1.618 196 HD3 ARG 42 HD3 ARG 42 -12.034 0.219 1.561 197 HE ARG 42 HE ARG 42 -13.684 -0.405 3.190 198 HH11 ARG 42 HH11 ARG 42 -14.064 2.794 1.832 199 HH12 ARG 42 HH12 ARG 42 -15.729 2.933 2.289 200 HH21 ARG 42 HH22 ARG 42 -15.871 -0.243 3.779 201 HH22 ARG 42 HH21 ARG 42 -16.775 1.190 3.359 202 H CYS 43 H CYS 43 -9.563 -1.233 0.920 203 HA CYS 43 HA CYS 43 -9.365 -0.094 -1.752 204 HB2 CYS 43 HB2 CYS 43 -9.491 -2.502 -2.458 205 HB3 CYS 43 HB3 CYS 43 -8.133 -2.135 -1.400 206 HG CYS 43 HG CYS 43 -8.912 -4.573 -0.509 207 HA PRO 44 HA PRO 44 -13.798 0.101 -2.197 208 HB2 PRO 44 HB3 PRO 44 -13.323 0.150 -5.088 209 HB3 PRO 44 HB2 PRO 44 -13.978 1.415 -4.042 210 HG2 PRO 44 HG2 PRO 44 -11.533 1.608 -5.167 211 HG3 PRO 44 HG3 PRO 44 -11.895 2.285 -3.568 212 HD2 PRO 44 HD2 PRO 44 -10.501 -0.277 -4.269 213 HD3 PRO 44 HD3 PRO 44 -10.089 0.928 -3.027 214 H LYS 45 H LYS 45 -11.864 -2.445 -3.054 215 HA LYS 45 HA LYS 45 -13.884 -3.986 -4.460 216 HB2 LYS 45 HB2 LYS 45 -11.551 -4.253 -5.109 217 HB3 LYS 45 HB3 LYS 45 -11.131 -4.744 -3.473 218 HG2 LYS 45 HG2 LYS 45 -11.261 -6.701 -4.798 219 HG3 LYS 45 HG3 LYS 45 -12.668 -6.690 -3.748 220 HD2 LYS 45 HD2 LYS 45 -14.031 -5.832 -5.592 221 HD3 LYS 45 HD3 LYS 45 -12.615 -5.857 -6.646 222 HE2 LYS 45 HE2 LYS 45 -13.868 -8.252 -5.302 223 HE3 LYS 45 HE3 LYS 45 -14.030 -7.822 -7.003 224 HZ1 LYS 45 HZ1 LYS 45 -11.606 -8.079 -7.227 225 HZ2 LYS 45 HZ2 LYS 45 -12.366 -9.517 -6.745 226 HZ3 LYS 45 HZ3 LYS 45 -11.518 -8.591 -5.612 227 H CYS 46 H CYS 46 -12.447 -3.729 -1.282 228 HA CYS 46 HA CYS 46 -12.957 -4.561 0.752 229 HB2 CYS 46 HB2 CYS 46 -15.495 -5.520 -0.562 230 HB3 CYS 46 HB3 CYS 46 -15.179 -5.534 1.171 231 HG CYS 46 HG CYS 46 -16.317 -3.258 1.502 232 H GLN 47 H GLN 47 -13.804 -6.858 -1.780 233 HA GLN 47 HA GLN 47 -12.940 -9.105 -0.216 234 HB2 GLN 47 HB2 GLN 47 -13.571 -8.942 -3.163 235 HB3 GLN 47 HB3 GLN 47 -13.499 -10.403 -2.178 236 HG2 GLN 47 HG2 GLN 47 -15.463 -8.143 -1.887 237 HG3 GLN 47 HG3 GLN 47 -15.804 -9.747 -2.553 238 HE21 GLN 47 HE22 GLN 47 -15.830 -11.534 -1.122 239 HE22 GLN 47 HE21 GLN 47 -16.061 -11.318 0.580 240 H ASN 48 H ASN 48 -11.254 -10.585 -1.034 241 HA ASN 48 HA ASN 48 -9.058 -11.003 -1.422 242 HB2 ASN 48 HB2 ASN 48 -9.082 -8.503 -3.119 243 HB3 ASN 48 HB3 ASN 48 -7.803 -9.706 -3.085 244 HD21 ASN 48 HD22 ASN 48 -8.130 -11.696 -4.089 245 HD22 ASN 48 HD21 ASN 48 -9.419 -11.936 -5.222 246 H ASN 49 H ASN 49 -10.296 -8.732 0.372 247 HA ASN 49 HA ASN 49 -9.648 -7.458 2.111 248 HB2 ASN 49 HB2 ASN 49 -7.218 -9.218 1.840 249 HB3 ASN 49 HB3 ASN 49 -7.374 -8.019 3.122 250 HD21 ASN 49 HD22 ASN 49 -8.793 -8.373 4.793 251 HD22 ASN 49 HD21 ASN 49 -9.595 -9.884 5.041 252 H SER 50 H SER 50 -7.191 -6.363 2.826 253 HA SER 50 HA SER 50 -7.038 -4.121 1.125 254 HB2 SER 50 HB2 SER 50 -5.035 -5.032 3.198 255 HB3 SER 50 HB3 SER 50 -5.280 -3.387 2.607 256 HG SER 50 HG SER 50 -6.385 -3.522 4.513 257 H ILE 51 H ILE 51 -4.736 -3.417 0.300 258 HA ILE 51 HA ILE 51 -4.401 -5.185 -1.923 259 HB ILE 51 HB ILE 51 -2.912 -3.478 -2.839 260 HG12 ILE 51 HG12 ILE 51 -3.356 -1.917 -0.287 261 HG13 ILE 51 HG13 ILE 51 -1.910 -2.872 -0.585 262 HG21 ILE 51 HG21 ILE 51 -5.272 -3.187 -3.176 263 HG22 ILE 51 HG22 ILE 51 -4.545 -1.609 -2.880 264 HG23 ILE 51 HG23 ILE 51 -5.448 -2.418 -1.598 265 HD11 ILE 51 HD11 ILE 51 -2.852 -0.591 -2.304 266 HD12 ILE 51 HD12 ILE 51 -1.349 -1.499 -2.483 267 HD13 ILE 51 HD13 ILE 51 -1.604 -0.485 -1.062 268 H ALA 52 H ALA 52 -3.360 -6.314 0.564 269 HA ALA 52 HA ALA 52 -0.473 -6.170 0.322 270 HB1 ALA 52 HB1 ALA 52 -2.196 -7.844 2.143 271 HB2 ALA 52 HB2 ALA 52 -1.465 -6.288 2.533 272 HB3 ALA 52 HB3 ALA 52 -0.440 -7.693 2.237 273 H ASP 53 H ASP 53 -2.981 -8.675 -0.029 274 HA ASP 53 HA ASP 53 -1.223 -10.038 -1.949 275 HB2 ASP 53 HB2 ASP 53 -2.661 -11.306 0.383 276 HB3 ASP 53 HB3 ASP 53 -2.137 -12.238 -1.014 277 H SER 54 H SER 54 -3.310 -8.286 -2.545 278 HA SER 54 HA SER 54 -5.748 -9.715 -3.008 279 HB2 SER 54 HB2 SER 54 -4.954 -7.113 -4.302 280 HB3 SER 54 HB3 SER 54 -6.574 -7.690 -3.909 281 HG SER 54 HG SER 54 -6.078 -7.454 -1.717 282 H ASN 55 H ASN 55 -2.797 -9.490 -4.671 283 HA ASN 55 HA ASN 55 -2.034 -10.297 -6.654 284 HB2 ASN 55 HB2 ASN 55 -4.772 -11.560 -6.794 285 HB3 ASN 55 HB3 ASN 55 -3.482 -11.879 -7.950 286 HD21 ASN 55 HD22 ASN 55 -4.917 -13.593 -5.987 287 HD22 ASN 55 HD21 ASN 55 -3.665 -14.326 -5.027 288 H SER 56 H SER 56 -4.163 -7.950 -6.357 289 HA SER 56 HA SER 56 -5.070 -7.571 -9.028 290 HB2 SER 56 HB2 SER 56 -6.324 -6.589 -7.215 291 HB3 SER 56 HB3 SER 56 -4.915 -5.674 -6.677 292 HG SER 56 HG SER 56 -6.682 -5.182 -8.749 293 H MET 57 H MET 57 -4.161 -6.563 -10.660 294 HA MET 57 HA MET 57 -1.440 -5.896 -10.765 295 HB2 MET 57 HB2 MET 57 -3.347 -4.593 -12.648 296 HB3 MET 57 HB3 MET 57 -1.809 -5.369 -12.983 297 HG2 MET 57 HG2 MET 57 -2.880 -7.169 -13.654 298 HG3 MET 57 HG3 MET 57 -3.562 -7.356 -12.039 299 HE1 MET 57 HE1 MET 57 -6.923 -5.397 -12.297 300 HE2 MET 57 HE2 MET 57 -5.379 -5.133 -11.474 301 HE3 MET 57 HE3 MET 57 -6.155 -6.721 -11.424 302 H ILE 58 H ILE 58 -4.305 -4.092 -10.030 303 HA ILE 58 HA ILE 58 -3.033 -1.518 -10.244 304 HB ILE 58 HB ILE 58 -5.106 -0.630 -10.159 305 HG12 ILE 58 HG12 ILE 58 -6.973 -1.774 -8.700 306 HG13 ILE 58 HG13 ILE 58 -5.599 -2.516 -7.888 307 HG21 ILE 58 HG21 ILE 58 -5.710 -3.548 -10.583 308 HG22 ILE 58 HG22 ILE 58 -5.409 -2.304 -11.803 309 HG23 ILE 58 HG23 ILE 58 -6.889 -2.257 -10.844 310 HD11 ILE 58 HD11 ILE 58 -6.328 0.386 -8.084 311 HD12 ILE 58 HD12 ILE 58 -4.704 -0.153 -7.644 312 HD13 ILE 58 HD13 ILE 58 -6.086 -0.604 -6.640 313 H ALA 59 H ALA 59 -3.773 -3.848 -7.748 314 HA ALA 59 HA ALA 59 -3.221 -2.273 -5.486 315 HB1 ALA 59 HB1 ALA 59 -2.749 -5.227 -5.902 316 HB2 ALA 59 HB2 ALA 59 -4.225 -4.481 -5.288 317 HB3 ALA 59 HB3 ALA 59 -2.736 -4.402 -4.345 318 H THR 60 H THR 60 -1.150 -4.128 -7.646 319 HA THR 60 HA THR 60 1.309 -3.753 -6.364 320 HB THR 60 HB THR 60 0.715 -3.975 -9.322 321 HG1 THR 60 HG1 THR 60 1.531 -6.238 -8.635 322 HG21 THR 60 HG21 THR 60 2.969 -3.110 -8.827 323 HG22 THR 60 HG22 THR 60 3.009 -4.711 -9.567 324 HG23 THR 60 HG23 THR 60 3.282 -4.533 -7.832 325 H ASP 61 H ASP 61 -0.375 -1.758 -8.745 326 HA ASP 61 HA ASP 61 1.475 0.231 -9.242 327 HB2 ASP 61 HB2 ASP 61 -1.077 -0.132 -9.988 328 HB3 ASP 61 HB3 ASP 61 -1.341 1.062 -8.731 329 H LEU 62 H LEU 62 -0.931 0.065 -6.671 330 HA LEU 62 HA LEU 62 -0.231 2.523 -5.449 331 HB2 LEU 62 HB2 LEU 62 -1.564 0.242 -4.024 332 HB3 LEU 62 HB3 LEU 62 -1.799 1.959 -3.787 333 HG LEU 62 HG LEU 62 -2.789 0.301 -6.103 334 HD11 LEU 62 HD11 LEU 62 -4.018 0.115 -3.967 335 HD12 LEU 62 HD12 LEU 62 -4.978 0.826 -5.265 336 HD13 LEU 62 HD13 LEU 62 -4.293 1.856 -4.008 337 HD21 LEU 62 HD21 LEU 62 -2.163 2.394 -7.037 338 HD22 LEU 62 HD22 LEU 62 -2.839 3.277 -5.671 339 HD23 LEU 62 HD23 LEU 62 -3.909 2.446 -6.794 340 H ARG 63 H ARG 63 0.749 -0.805 -4.968 341 HA ARG 63 HA ARG 63 2.044 -0.404 -2.478 342 HB2 ARG 63 HB2 ARG 63 2.247 -2.580 -4.547 343 HB3 ARG 63 HB3 ARG 63 3.160 -2.612 -3.045 344 HG2 ARG 63 HG2 ARG 63 1.013 -2.441 -1.809 345 HG3 ARG 63 HG3 ARG 63 0.171 -2.599 -3.351 346 HD2 ARG 63 HD2 ARG 63 2.120 -4.605 -2.250 347 HD3 ARG 63 HD3 ARG 63 0.369 -4.720 -2.082 348 HE ARG 63 HE ARG 63 0.423 -4.667 -4.646 349 HH11 ARG 63 HH11 ARG 63 2.896 -6.110 -2.650 350 HH12 ARG 63 HH12 ARG 63 3.443 -7.211 -3.877 351 HH21 ARG 63 HH22 ARG 63 1.136 -6.124 -6.285 352 HH22 ARG 63 HH21 ARG 63 2.452 -7.208 -5.946 353 H GLN 64 H GLN 64 3.137 -0.179 -5.824 354 HA GLN 64 HA GLN 64 5.868 0.162 -5.201 355 HB2 GLN 64 HB2 GLN 64 4.242 1.067 -7.565 356 HB3 GLN 64 HB3 GLN 64 5.984 1.276 -7.454 357 HG2 GLN 64 HG2 GLN 64 6.119 -1.222 -7.103 358 HG3 GLN 64 HG3 GLN 64 4.426 -1.285 -7.570 359 HE21 GLN 64 HE22 GLN 64 5.009 -2.594 -9.338 360 HE22 GLN 64 HE21 GLN 64 5.697 -1.901 -10.769 361 H LYS 65 H LYS 65 3.135 2.366 -5.266 362 HA LYS 65 HA LYS 65 4.605 4.735 -4.814 363 HB2 LYS 65 HB2 LYS 65 2.253 4.817 -5.433 364 HB3 LYS 65 HB3 LYS 65 1.803 4.023 -3.930 365 HG2 LYS 65 HG2 LYS 65 1.373 6.223 -3.399 366 HG3 LYS 65 HG3 LYS 65 3.036 6.066 -2.852 367 HD2 LYS 65 HD2 LYS 65 2.576 6.910 -5.662 368 HD3 LYS 65 HD3 LYS 65 2.286 8.084 -4.378 369 HE2 LYS 65 HE2 LYS 65 4.502 8.000 -3.654 370 HE3 LYS 65 HE3 LYS 65 4.822 6.500 -4.514 371 HZ1 LYS 65 HZ1 LYS 65 4.217 9.066 -5.872 372 HZ2 LYS 65 HZ2 LYS 65 4.799 7.637 -6.572 373 HZ3 LYS 65 HZ3 LYS 65 5.796 8.532 -5.542 374 H VAL 66 H VAL 66 2.955 2.518 -2.589 375 HA VAL 66 HA VAL 66 3.691 3.591 -0.152 376 HB VAL 66 HB VAL 66 3.336 0.687 -0.935 377 HG11 VAL 66 HG11 VAL 66 4.759 1.098 1.128 378 HG12 VAL 66 HG12 VAL 66 3.339 0.072 1.325 379 HG13 VAL 66 HG13 VAL 66 3.300 1.750 1.869 380 HG21 VAL 66 HG21 VAL 66 1.161 0.936 0.109 381 HG22 VAL 66 HG22 VAL 66 1.366 2.127 -1.173 382 HG23 VAL 66 HG23 VAL 66 1.524 2.613 0.514 383 H TYR 67 H TYR 67 5.571 1.431 -2.240 384 HA TYR 67 HA TYR 67 7.774 1.081 -0.539 385 HB2 TYR 67 HB2 TYR 67 7.546 -0.322 -2.465 386 HB3 TYR 67 HB3 TYR 67 7.555 1.062 -3.552 387 HD1 TYR 67 HD1 TYR 67 9.709 -0.726 -1.083 388 HD2 TYR 67 HD2 TYR 67 9.545 1.734 -4.553 389 HE1 TYR 67 HE1 TYR 67 12.144 -0.953 -1.354 390 HE2 TYR 67 HE2 TYR 67 11.977 1.513 -4.831 391 HH TYR 67 HH TYR 67 13.931 0.993 -3.550 392 H GLU 68 H GLU 68 7.327 3.447 -3.191 393 HA GLU 68 HA GLU 68 9.694 4.878 -2.825 394 HB2 GLU 68 HB2 GLU 68 7.029 6.036 -3.654 395 HB3 GLU 68 HB3 GLU 68 8.614 6.718 -3.985 396 HG2 GLU 68 HG2 GLU 68 9.124 4.708 -5.346 397 HG3 GLU 68 HG3 GLU 68 7.463 4.176 -5.097 398 H LEU 69 H LEU 69 6.519 5.326 -1.386 399 HA LEU 69 HA LEU 69 6.922 7.718 -0.045 400 HB2 LEU 69 HB2 LEU 69 5.184 5.358 0.649 401 HB3 LEU 69 HB3 LEU 69 5.055 6.933 1.407 402 HG LEU 69 HG LEU 69 4.757 6.523 -1.560 403 HD11 LEU 69 HD11 LEU 69 2.607 6.615 0.532 404 HD12 LEU 69 HD12 LEU 69 3.025 5.238 -0.472 405 HD13 LEU 69 HD13 LEU 69 2.341 6.688 -1.201 406 HD21 LEU 69 HD21 LEU 69 3.828 8.714 -1.552 407 HD22 LEU 69 HD22 LEU 69 5.367 8.774 -0.691 408 HD23 LEU 69 HD23 LEU 69 3.847 8.773 0.211 409 H MET 70 H MET 70 7.836 4.459 0.897 410 HA MET 70 HA MET 70 8.453 4.940 3.591 411 HB2 MET 70 HB2 MET 70 9.902 3.073 1.694 412 HB3 MET 70 HB3 MET 70 9.953 3.003 3.448 413 HG2 MET 70 HG2 MET 70 7.571 2.480 3.495 414 HG3 MET 70 HG3 MET 70 7.520 2.538 1.736 415 HE1 MET 70 HE1 MET 70 7.037 -0.090 0.884 416 HE2 MET 70 HE2 MET 70 6.261 0.427 2.381 417 HE3 MET 70 HE3 MET 70 7.025 -1.160 2.286 418 H GLN 71 H GLN 71 10.515 5.168 0.691 419 HA GLN 71 HA GLN 71 12.714 6.190 2.258 420 HB2 GLN 71 HB2 GLN 71 13.772 6.432 -0.073 421 HB3 GLN 71 HB3 GLN 71 13.446 4.812 0.525 422 HG2 GLN 71 HG2 GLN 71 11.444 4.683 -0.820 423 HG3 GLN 71 HG3 GLN 71 11.679 6.340 -1.368 424 HE21 GLN 71 HE22 GLN 71 13.355 6.786 -2.819 425 HE22 GLN 71 HE21 GLN 71 14.093 5.540 -3.767 426 H GLU 72 H GLU 72 10.054 7.490 0.509 427 HA GLU 72 HA GLU 72 11.043 10.118 0.128 428 HB2 GLU 72 HB2 GLU 72 8.223 9.149 0.633 429 HB3 GLU 72 HB3 GLU 72 8.633 10.802 0.200 430 HG2 GLU 72 HG2 GLU 72 9.639 9.922 -1.899 431 HG3 GLU 72 HG3 GLU 72 9.002 8.337 -1.466 432 H GLY 73 H GLY 73 9.870 8.353 2.876 433 HA2 GLY 73 HA2 GLY 73 10.530 8.904 5.077 434 HA3 GLY 73 HA3 GLY 73 10.715 10.582 4.579 435 H LYS 74 H LYS 74 7.928 8.779 3.614 436 HA LYS 74 HA LYS 74 6.189 10.659 4.885 437 HB2 LYS 74 HB2 LYS 74 5.451 8.015 3.642 438 HB3 LYS 74 HB3 LYS 74 4.396 9.383 3.932 439 HG2 LYS 74 HG2 LYS 74 6.764 9.548 2.093 440 HG3 LYS 74 HG3 LYS 74 5.160 9.042 1.559 441 HD2 LYS 74 HD2 LYS 74 4.383 11.130 1.562 442 HD3 LYS 74 HD3 LYS 74 5.098 11.484 3.134 443 HE2 LYS 74 HE2 LYS 74 6.822 11.292 0.721 444 HE3 LYS 74 HE3 LYS 74 5.905 12.770 1.014 445 HZ1 LYS 74 HZ1 LYS 74 8.004 11.548 2.709 446 HZ2 LYS 74 HZ2 LYS 74 6.961 12.756 3.283 447 HZ3 LYS 74 HZ3 LYS 74 8.007 13.079 1.987 448 H SER 75 H SER 75 4.463 9.986 6.344 449 HA SER 75 HA SER 75 5.389 8.071 8.357 450 HB2 SER 75 HB2 SER 75 3.135 10.082 8.541 451 HB3 SER 75 HB3 SER 75 3.860 9.177 9.872 452 HG SER 75 HG SER 75 5.331 10.665 10.006 453 H LYS 76 H LYS 76 3.447 6.826 9.440 454 HA LYS 76 HA LYS 76 2.616 4.983 7.534 455 HB2 LYS 76 HB2 LYS 76 1.907 5.504 10.358 456 HB3 LYS 76 HB3 LYS 76 0.811 4.482 9.439 457 HG2 LYS 76 HG2 LYS 76 2.414 3.122 10.601 458 HG3 LYS 76 HG3 LYS 76 2.691 3.003 8.870 459 HD2 LYS 76 HD2 LYS 76 4.232 5.044 10.382 460 HD3 LYS 76 HD3 LYS 76 4.675 3.354 10.608 461 HE2 LYS 76 HE2 LYS 76 4.949 3.123 8.179 462 HE3 LYS 76 HE3 LYS 76 4.528 4.822 7.974 463 HZ1 LYS 76 HZ1 LYS 76 6.480 5.485 9.120 464 HZ2 LYS 76 HZ2 LYS 76 6.960 4.332 7.969 465 HZ3 LYS 76 HZ3 LYS 76 6.831 3.899 9.605 466 H LYS 77 H LYS 77 0.529 7.379 9.163 467 HA LYS 77 HA LYS 77 -1.680 6.914 7.419 468 HB2 LYS 77 HB2 LYS 77 -1.145 9.424 9.018 469 HB3 LYS 77 HB3 LYS 77 -2.699 8.840 8.437 470 HG2 LYS 77 HG2 LYS 77 -0.964 7.622 10.553 471 HG3 LYS 77 HG3 LYS 77 -2.551 8.373 10.770 472 HD2 LYS 77 HD2 LYS 77 -3.587 6.620 9.448 473 HD3 LYS 77 HD3 LYS 77 -2.004 5.907 9.129 474 HE2 LYS 77 HE2 LYS 77 -1.733 5.467 11.525 475 HE3 LYS 77 HE3 LYS 77 -3.331 6.147 11.826 476 HZ1 LYS 77 HZ1 LYS 77 -4.340 4.401 10.590 477 HZ2 LYS 77 HZ2 LYS 77 -3.268 3.681 11.687 478 HZ3 LYS 77 HZ3 LYS 77 -2.841 3.815 10.052 479 H GLU 78 H GLU 78 1.010 9.118 7.441 480 HA GLU 78 HA GLU 78 0.234 10.842 5.384 481 HB2 GLU 78 HB2 GLU 78 2.147 11.292 6.800 482 HB3 GLU 78 HB3 GLU 78 2.988 9.881 6.180 483 HG2 GLU 78 HG2 GLU 78 3.944 11.775 5.161 484 HG3 GLU 78 HG3 GLU 78 2.972 10.964 3.934 485 H ILE 79 H ILE 79 1.824 7.666 5.217 486 HA ILE 79 HA ILE 79 2.303 7.667 2.447 487 HB ILE 79 HB ILE 79 2.109 5.545 4.525 488 HG12 ILE 79 HG12 ILE 79 4.200 5.018 2.767 489 HG13 ILE 79 HG13 ILE 79 4.111 6.773 2.809 490 HG21 ILE 79 HG21 ILE 79 1.448 5.116 1.684 491 HG22 ILE 79 HG22 ILE 79 0.947 4.212 3.116 492 HG23 ILE 79 HG23 ILE 79 2.549 3.948 2.420 493 HD11 ILE 79 HD11 ILE 79 4.284 5.066 5.275 494 HD12 ILE 79 HD12 ILE 79 4.489 6.814 5.155 495 HD13 ILE 79 HD13 ILE 79 5.687 5.733 4.442 496 H VAL 80 H VAL 80 -0.452 6.309 4.272 497 HA VAL 80 HA VAL 80 -1.852 5.543 1.932 498 HB VAL 80 HB VAL 80 -2.438 4.347 3.876 499 HG11 VAL 80 HG11 VAL 80 -3.052 6.980 5.189 500 HG12 VAL 80 HG12 VAL 80 -1.722 5.890 5.581 501 HG13 VAL 80 HG13 VAL 80 -3.387 5.399 5.892 502 HG21 VAL 80 HG21 VAL 80 -4.322 4.808 2.413 503 HG22 VAL 80 HG22 VAL 80 -4.659 6.281 3.324 504 HG23 VAL 80 HG23 VAL 80 -4.840 4.704 4.098 505 H ASP 81 H ASP 81 -1.759 8.438 3.853 506 HA ASP 81 HA ASP 81 -4.029 9.693 2.654 507 HB2 ASP 81 HB2 ASP 81 -3.189 10.430 4.825 508 HB3 ASP 81 HB3 ASP 81 -1.660 10.895 4.096 509 H TYR 82 H TYR 82 -0.601 9.586 1.989 510 HA TYR 82 HA TYR 82 -0.559 11.434 -0.164 511 HB2 TYR 82 HB2 TYR 82 1.411 10.344 1.150 512 HB3 TYR 82 HB3 TYR 82 1.222 9.018 0.015 513 HD1 TYR 82 HD2 TYR 82 1.322 9.636 -2.513 514 HD2 TYR 82 HD1 TYR 82 2.757 12.135 0.607 515 HE1 TYR 82 HE2 TYR 82 2.717 10.848 -4.137 516 HE2 TYR 82 HE1 TYR 82 4.151 13.366 -1.008 517 HH TYR 82 HH TYR 82 3.775 13.046 -4.374 518 H MET 83 H MET 83 -1.179 7.996 0.141 519 HA MET 83 HA MET 83 -1.525 7.380 -2.575 520 HB2 MET 83 HB2 MET 83 -2.792 6.186 -0.105 521 HB3 MET 83 HB3 MET 83 -3.003 5.525 -1.718 522 HG2 MET 83 HG2 MET 83 -0.212 5.911 -1.095 523 HG3 MET 83 HG3 MET 83 -1.016 4.895 0.100 524 HE1 MET 83 HE1 MET 83 -0.320 5.393 -3.745 525 HE2 MET 83 HE2 MET 83 -2.073 5.223 -3.663 526 HE3 MET 83 HE3 MET 83 -1.099 3.961 -4.418 527 H VAL 84 H VAL 84 -3.921 8.371 -0.112 528 HA VAL 84 HA VAL 84 -6.063 8.312 -1.984 529 HB VAL 84 HB VAL 84 -7.422 9.441 -0.270 530 HG11 VAL 84 HG11 VAL 84 -5.743 7.231 0.882 531 HG12 VAL 84 HG12 VAL 84 -7.070 7.000 -0.254 532 HG13 VAL 84 HG13 VAL 84 -7.384 7.667 1.349 533 HG21 VAL 84 HG21 VAL 84 -6.538 9.985 1.903 534 HG22 VAL 84 HG22 VAL 84 -5.649 10.887 0.681 535 HG23 VAL 84 HG23 VAL 84 -4.926 9.463 1.421 536 H ALA 85 H ALA 85 -3.832 10.797 -0.984 537 HA ALA 85 HA ALA 85 -5.242 13.016 -2.003 538 HB1 ALA 85 HB1 ALA 85 -2.853 13.997 -2.117 539 HB2 ALA 85 HB2 ALA 85 -2.368 12.481 -1.353 540 HB3 ALA 85 HB3 ALA 85 -3.516 13.552 -0.545 541 H ARG 86 H ARG 86 -2.822 10.862 -3.472 542 HA ARG 86 HA ARG 86 -3.059 12.272 -6.020 543 HB2 ARG 86 HB2 ARG 86 -1.127 10.400 -4.811 544 HB3 ARG 86 HB3 ARG 86 -1.382 10.195 -6.535 545 HG2 ARG 86 HG2 ARG 86 0.508 11.628 -6.152 546 HG3 ARG 86 HG3 ARG 86 -0.797 12.553 -6.889 547 HD2 ARG 86 HD2 ARG 86 -0.432 12.511 -3.915 548 HD3 ARG 86 HD3 ARG 86 0.529 13.586 -4.928 549 HE ARG 86 HE ARG 86 -2.252 13.816 -5.509 550 HH11 ARG 86 HH11 ARG 86 0.252 14.833 -3.281 551 HH12 ARG 86 HH12 ARG 86 -0.620 16.234 -2.738 552 HH21 ARG 86 HH22 ARG 86 -3.390 15.655 -4.817 553 HH22 ARG 86 HH21 ARG 86 -2.704 16.700 -3.606 554 H TYR 87 H TYR 87 -3.507 8.992 -4.753 555 HA TYR 87 HA TYR 87 -4.675 8.159 -7.314 556 HB2 TYR 87 HB2 TYR 87 -3.600 6.542 -5.003 557 HB3 TYR 87 HB3 TYR 87 -4.278 5.862 -6.476 558 HD1 TYR 87 HD2 TYR 87 -3.033 5.974 -8.581 559 HD2 TYR 87 HD1 TYR 87 -1.381 7.521 -4.975 560 HE1 TYR 87 HE2 TYR 87 -0.805 6.005 -9.619 561 HE2 TYR 87 HE1 TYR 87 0.861 7.552 -6.003 562 HH TYR 87 HH TYR 87 1.331 7.110 -9.372 563 H GLY 88 H GLY 88 -6.237 9.724 -5.445 564 HA2 GLY 88 HA2 GLY 88 -7.708 8.088 -3.675 565 HA3 GLY 88 HA3 GLY 88 -8.164 9.705 -4.187 566 H ASN 89 H ASN 89 -8.052 8.511 -7.074 567 HA ASN 89 HA ASN 89 -10.819 7.715 -7.127 568 HB2 ASN 89 HB2 ASN 89 -8.732 8.133 -9.242 569 HB3 ASN 89 HB3 ASN 89 -10.251 7.334 -9.636 570 HD21 ASN 89 HD22 ASN 89 -12.172 8.494 -9.542 571 HD22 ASN 89 HD21 ASN 89 -12.189 10.231 -9.517 572 H PHE 90 H PHE 90 -7.978 6.106 -6.560 573 HA PHE 90 HA PHE 90 -9.164 3.540 -7.399 574 HB2 PHE 90 HB2 PHE 90 -6.221 4.235 -7.240 575 HB3 PHE 90 HB3 PHE 90 -6.881 2.662 -7.676 576 HD1 PHE 90 HD2 PHE 90 -8.265 2.478 -9.778 577 HD2 PHE 90 HD1 PHE 90 -5.925 5.909 -8.839 578 HE1 PHE 90 HE2 PHE 90 -8.327 3.161 -12.140 579 HE2 PHE 90 HE1 PHE 90 -5.987 6.601 -11.200 580 HZ PHE 90 HZ PHE 90 -7.188 5.224 -12.853 581 H VAL 91 H VAL 91 -7.539 5.368 -4.940 582 HA VAL 91 HA VAL 91 -7.717 3.078 -3.098 583 HB VAL 91 HB VAL 91 -5.745 3.660 -2.104 584 HG11 VAL 91 HG11 VAL 91 -5.262 5.242 -4.616 585 HG12 VAL 91 HG12 VAL 91 -5.335 3.470 -4.588 586 HG13 VAL 91 HG13 VAL 91 -4.093 4.314 -3.660 587 HG21 VAL 91 HG21 VAL 91 -6.496 5.776 -1.232 588 HG22 VAL 91 HG22 VAL 91 -6.286 6.530 -2.813 589 HG23 VAL 91 HG23 VAL 91 -4.879 5.955 -1.917 590 H THR 92 H THR 92 -8.095 3.810 -0.759 591 HA THR 92 HA THR 92 -9.432 6.365 -0.483 592 HB THR 92 HB THR 92 -10.896 3.751 -0.054 593 HG1 THR 92 HG1 THR 92 -10.697 5.352 -2.153 594 HG21 THR 92 HG21 THR 92 -11.386 5.363 1.739 595 HG22 THR 92 HG22 THR 92 -12.789 5.082 0.699 596 HG23 THR 92 HG23 THR 92 -11.842 6.561 0.522 597 H TYR 93 H TYR 93 -9.418 7.150 1.588 598 HA TYR 93 HA TYR 93 -8.239 5.414 3.638 599 HB2 TYR 93 HB2 TYR 93 -7.149 7.629 3.176 600 HB3 TYR 93 HB3 TYR 93 -8.621 8.424 3.717 601 HD1 TYR 93 HD1 TYR 93 -6.107 5.924 4.867 602 HD2 TYR 93 HD2 TYR 93 -8.760 9.060 5.973 603 HE1 TYR 93 HE1 TYR 93 -5.237 5.835 7.164 604 HE2 TYR 93 HE2 TYR 93 -7.894 8.983 8.276 605 HH TYR 93 HH TYR 93 -6.757 7.278 9.772 606 H ASP 94 H ASP 94 -9.715 4.366 4.707 607 HA ASP 94 HA ASP 94 -12.103 5.559 5.792 608 HB2 ASP 94 HB2 ASP 94 -12.176 4.383 3.168 609 HB3 ASP 94 HB3 ASP 94 -13.016 3.309 4.276 610 HA PRO 95 HA PRO 95 -11.639 2.034 8.585 611 HB2 PRO 95 HB3 PRO 95 -14.208 0.974 8.495 612 HB3 PRO 95 HB2 PRO 95 -13.658 2.221 9.615 613 HG2 PRO 95 HG2 PRO 95 -15.178 2.516 7.063 614 HG3 PRO 95 HG3 PRO 95 -15.334 3.427 8.577 615 HD2 PRO 95 HD2 PRO 95 -14.086 4.468 6.446 616 HD3 PRO 95 HD3 PRO 95 -13.497 4.776 8.097 617 HA PRO 96 HA PRO 96 -11.000 -0.698 5.142 618 HB2 PRO 96 HB3 PRO 96 -8.832 -1.933 6.105 619 HB3 PRO 96 HB2 PRO 96 -8.791 -0.230 5.635 620 HG2 PRO 96 HG2 PRO 96 -8.846 -1.440 8.346 621 HG3 PRO 96 HG3 PRO 96 -8.106 0.072 7.801 622 HD2 PRO 96 HD2 PRO 96 -10.606 -0.243 9.105 623 HD3 PRO 96 HD3 PRO 96 -9.952 1.244 8.385 624 H LEU 97 H LEU 97 -10.060 -3.157 5.187 625 HA LEU 97 HA LEU 97 -12.272 -4.724 6.177 626 HB2 LEU 97 HB2 LEU 97 -9.828 -5.409 4.567 627 HB3 LEU 97 HB3 LEU 97 -11.022 -6.600 5.035 628 HG LEU 97 HG LEU 97 -11.492 -6.018 2.788 629 HD11 LEU 97 HD11 LEU 97 -13.459 -6.267 4.163 630 HD12 LEU 97 HD12 LEU 97 -13.735 -5.035 2.932 631 HD13 LEU 97 HD13 LEU 97 -13.405 -4.560 4.599 632 HD21 LEU 97 HD21 LEU 97 -10.238 -3.931 2.660 633 HD22 LEU 97 HD22 LEU 97 -11.472 -3.123 3.630 634 HD23 LEU 97 HD23 LEU 97 -11.872 -3.734 2.024 635 H THR 98 H THR 98 -10.001 -3.524 7.823 636 HA THR 98 HA THR 98 -8.449 -5.455 9.029 637 HB THR 98 HB THR 98 -8.323 -2.954 9.387 638 HG1 THR 98 HG1 THR 98 -8.417 -4.401 11.840 639 HG21 THR 98 HG21 THR 98 -10.665 -2.511 9.872 640 HG22 THR 98 HG22 THR 98 -9.643 -1.978 11.206 641 HG23 THR 98 HG23 THR 98 -10.558 -3.478 11.345 642 HA PRO 99 HA PRO 99 -11.402 -8.035 11.136 643 HB2 PRO 99 HB3 PRO 99 -9.719 -9.099 13.010 644 HB3 PRO 99 HB2 PRO 99 -9.770 -9.630 11.324 645 HG2 PRO 99 HG2 PRO 99 -7.867 -7.750 12.664 646 HG3 PRO 99 HG3 PRO 99 -7.532 -9.025 11.478 647 HD2 PRO 99 HD2 PRO 99 -7.660 -6.418 10.801 648 HD3 PRO 99 HD3 PRO 99 -8.176 -7.709 9.698 Start of MODEL 13 1 H THR 19 H1 THR 19 16.338 -9.894 -7.714 2 HA THR 19 HA THR 19 16.205 -11.046 -5.583 3 HB THR 19 HB THR 19 15.193 -9.695 -3.683 4 HG1 THR 19 HG1 THR 19 15.828 -7.377 -3.856 5 HG21 THR 19 HG21 THR 19 17.999 -8.963 -4.535 6 HG22 THR 19 HG22 THR 19 17.540 -10.428 -3.668 7 HG23 THR 19 HG23 THR 19 17.348 -8.853 -2.897 8 H ILE 20 H ILE 20 14.149 -8.287 -6.360 9 HA ILE 20 HA ILE 20 12.049 -10.031 -7.301 10 HB ILE 20 HB ILE 20 11.246 -10.082 -5.131 11 HG12 ILE 20 HG12 ILE 20 9.255 -8.763 -4.988 12 HG13 ILE 20 HG13 ILE 20 9.927 -7.516 -6.023 13 HG21 ILE 20 HG21 ILE 20 12.084 -7.217 -4.769 14 HG22 ILE 20 HG22 ILE 20 12.865 -8.648 -4.096 15 HG23 ILE 20 HG23 ILE 20 11.249 -8.191 -3.558 16 HD11 ILE 20 HD11 ILE 20 9.474 -10.294 -7.030 17 HD12 ILE 20 HD12 ILE 20 9.654 -8.787 -7.933 18 HD13 ILE 20 HD13 ILE 20 8.183 -9.091 -7.002 19 H ASP 21 H ASP 21 12.060 -6.643 -6.206 20 HA ASP 21 HA ASP 21 11.813 -5.794 -9.000 21 HB2 ASP 21 HB2 ASP 21 9.552 -6.039 -7.731 22 HB3 ASP 21 HB3 ASP 21 10.065 -4.624 -6.833 23 H VAL 22 H VAL 22 11.358 -3.005 -8.165 24 HA VAL 22 HA VAL 22 13.984 -2.276 -7.226 25 HB VAL 22 HB VAL 22 12.576 -0.851 -8.777 26 HG11 VAL 22 HG11 VAL 22 10.446 -1.110 -7.541 27 HG12 VAL 22 HG12 VAL 22 10.862 0.574 -7.861 28 HG13 VAL 22 HG13 VAL 22 11.107 -0.104 -6.252 29 HG21 VAL 22 HG21 VAL 22 14.547 0.041 -7.637 30 HG22 VAL 22 HG22 VAL 22 13.545 0.484 -6.253 31 HG23 VAL 22 HG23 VAL 22 13.292 1.271 -7.812 32 H LEU 23 H LEU 23 11.128 -3.308 -5.868 33 HA LEU 23 HA LEU 23 11.153 -1.853 -3.409 34 HB2 LEU 23 HB2 LEU 23 9.777 -4.484 -3.761 35 HB3 LEU 23 HB3 LEU 23 9.258 -3.078 -2.853 36 HG LEU 23 HG LEU 23 9.235 -3.344 -5.866 37 HD11 LEU 23 HD11 LEU 23 6.970 -3.230 -3.887 38 HD12 LEU 23 HD12 LEU 23 7.516 -4.671 -4.740 39 HD13 LEU 23 HD13 LEU 23 6.818 -3.324 -5.640 40 HD21 LEU 23 HD21 LEU 23 9.652 -1.060 -5.364 41 HD22 LEU 23 HD22 LEU 23 8.464 -1.063 -4.064 42 HD23 LEU 23 HD23 LEU 23 7.934 -1.199 -5.738 43 H GLN 24 H GLN 24 13.121 -2.143 -2.396 44 HA GLN 24 HA GLN 24 13.973 -4.888 -1.837 45 HB2 GLN 24 HB2 GLN 24 15.440 -2.276 -1.475 46 HB3 GLN 24 HB3 GLN 24 16.105 -3.869 -1.139 47 HG2 GLN 24 HG2 GLN 24 15.182 -2.890 -3.827 48 HG3 GLN 24 HG3 GLN 24 16.857 -2.984 -3.287 49 HE21 GLN 24 HE22 GLN 24 15.504 -4.286 -5.529 50 HE22 GLN 24 HE21 GLN 24 15.752 -5.983 -5.310 51 H PHE 25 H PHE 25 13.337 -5.735 0.036 52 HA PHE 25 HA PHE 25 12.976 -3.939 2.339 53 HB2 PHE 25 HB2 PHE 25 12.027 -6.804 2.077 54 HB3 PHE 25 HB3 PHE 25 11.606 -5.661 3.359 55 HD1 PHE 25 HD1 PHE 25 10.310 -3.565 2.681 56 HD2 PHE 25 HD2 PHE 25 10.701 -6.980 0.167 57 HE1 PHE 25 HE1 PHE 25 8.335 -2.846 1.400 58 HE2 PHE 25 HE2 PHE 25 8.731 -6.262 -1.117 59 HZ PHE 25 HZ PHE 25 7.572 -4.175 -0.531 60 H LYS 26 H LYS 26 14.418 -3.905 3.814 61 HA LYS 26 HA LYS 26 16.826 -5.239 3.767 62 HB2 LYS 26 HB2 LYS 26 16.940 -3.349 5.028 63 HB3 LYS 26 HB3 LYS 26 15.322 -3.544 5.655 64 HG2 LYS 26 HG2 LYS 26 17.261 -5.508 6.634 65 HG3 LYS 26 HG3 LYS 26 17.563 -3.831 7.124 66 HD2 LYS 26 HD2 LYS 26 14.994 -3.857 7.641 67 HD3 LYS 26 HD3 LYS 26 15.231 -5.605 7.694 68 HE2 LYS 26 HE2 LYS 26 16.700 -3.568 9.363 69 HE3 LYS 26 HE3 LYS 26 15.435 -4.660 9.925 70 HZ1 LYS 26 HZ1 LYS 26 18.148 -5.398 8.968 71 HZ2 LYS 26 HZ2 LYS 26 16.924 -6.527 9.283 72 HZ3 LYS 26 HZ3 LYS 26 17.529 -5.565 10.537 73 H ASP 27 H ASP 27 13.866 -6.016 5.440 74 HA ASP 27 HA ASP 27 14.599 -8.760 5.680 75 HB2 ASP 27 HB2 ASP 27 15.605 -7.428 7.736 76 HB3 ASP 27 HB3 ASP 27 13.941 -7.482 8.311 77 H GLU 28 H GLU 28 12.627 -9.695 7.315 78 HA GLU 28 HA GLU 28 10.260 -9.121 5.874 79 HB2 GLU 28 HB2 GLU 28 9.149 -10.641 7.253 80 HB3 GLU 28 HB3 GLU 28 10.804 -11.219 7.282 81 HG2 GLU 28 HG2 GLU 28 9.623 -9.475 9.428 82 HG3 GLU 28 HG3 GLU 28 9.591 -11.234 9.476 83 H ALA 29 H ALA 29 11.659 -7.786 8.757 84 HA ALA 29 HA ALA 29 9.512 -6.382 9.819 85 HB1 ALA 29 HB1 ALA 29 11.126 -5.003 10.923 86 HB2 ALA 29 HB2 ALA 29 12.364 -5.409 9.734 87 HB3 ALA 29 HB3 ALA 29 11.771 -6.644 10.846 88 H GLN 30 H GLN 30 11.714 -5.472 7.193 89 HA GLN 30 HA GLN 30 10.669 -2.839 6.919 90 HB2 GLN 30 HB2 GLN 30 12.912 -3.882 5.959 91 HB3 GLN 30 HB3 GLN 30 11.882 -4.290 4.599 92 HG2 GLN 30 HG2 GLN 30 11.499 -2.105 4.034 93 HG3 GLN 30 HG3 GLN 30 11.859 -1.510 5.650 94 HE21 GLN 30 HE22 GLN 30 13.981 -1.171 6.248 95 HE22 GLN 30 HE21 GLN 30 15.276 -1.102 5.093 96 H GLU 31 H GLU 31 9.829 -5.976 5.766 97 HA GLU 31 HA GLU 31 7.924 -5.034 3.822 98 HB2 GLU 31 HB2 GLU 31 9.115 -7.120 3.438 99 HB3 GLU 31 HB3 GLU 31 8.496 -7.786 4.935 100 HG2 GLU 31 HG2 GLU 31 6.201 -7.623 3.997 101 HG3 GLU 31 HG3 GLU 31 6.909 -7.090 2.474 102 H GLN 32 H GLN 32 7.952 -5.581 7.203 103 HA GLN 32 HA GLN 32 5.146 -6.109 7.520 104 HB2 GLN 32 HB2 GLN 32 7.206 -5.097 9.500 105 HB3 GLN 32 HB3 GLN 32 5.564 -5.563 9.921 106 HG2 GLN 32 HG2 GLN 32 6.115 -7.839 8.962 107 HG3 GLN 32 HG3 GLN 32 7.791 -7.309 8.932 108 HE21 GLN 32 HE22 GLN 32 8.896 -7.046 10.855 109 HE22 GLN 32 HE21 GLN 32 8.306 -7.659 12.356 110 H GLN 33 H GLN 33 7.203 -3.199 7.685 111 HA GLN 33 HA GLN 33 5.183 -1.322 8.175 112 HB2 GLN 33 HB2 GLN 33 7.549 -0.663 7.997 113 HB3 GLN 33 HB3 GLN 33 7.535 -1.039 6.285 114 HG2 GLN 33 HG2 GLN 33 5.911 0.724 5.892 115 HG3 GLN 33 HG3 GLN 33 5.862 1.074 7.621 116 HE21 GLN 33 HE22 GLN 33 8.746 0.629 7.917 117 HE22 GLN 33 HE21 GLN 33 9.509 2.035 7.262 118 H PHE 34 H PHE 34 6.314 -2.791 5.207 119 HA PHE 34 HA PHE 34 4.552 -1.629 3.391 120 HB2 PHE 34 HB2 PHE 34 6.548 -2.935 2.782 121 HB3 PHE 34 HB3 PHE 34 5.783 -4.395 3.390 122 HD1 PHE 34 HD1 PHE 34 5.613 -1.802 0.775 123 HD2 PHE 34 HD2 PHE 34 4.335 -5.658 2.045 124 HE1 PHE 34 HE1 PHE 34 4.721 -2.243 -1.473 125 HE2 PHE 34 HE2 PHE 34 3.436 -6.103 -0.199 126 HZ PHE 34 HZ PHE 34 3.632 -4.397 -1.963 127 H ARG 35 H ARG 35 4.221 -4.402 5.528 128 HA ARG 35 HA ARG 35 1.807 -5.468 4.646 129 HB2 ARG 35 HB2 ARG 35 3.488 -5.673 6.976 130 HB3 ARG 35 HB3 ARG 35 1.805 -5.625 7.464 131 HG2 ARG 35 HG2 ARG 35 2.577 -7.892 7.186 132 HG3 ARG 35 HG3 ARG 35 1.314 -7.514 6.011 133 HD2 ARG 35 HD2 ARG 35 3.407 -6.873 4.546 134 HD3 ARG 35 HD3 ARG 35 4.216 -7.999 5.627 135 HE ARG 35 HE ARG 35 2.094 -9.440 4.896 136 HH11 ARG 35 HH11 ARG 35 4.338 -7.557 2.989 137 HH12 ARG 35 HH12 ARG 35 4.205 -8.567 1.583 138 HH21 ARG 35 HH22 ARG 35 1.884 -10.757 3.037 139 HH22 ARG 35 HH21 ARG 35 2.790 -10.376 1.612 140 H GLN 36 H GLN 36 2.354 -2.977 7.141 141 HA GLN 36 HA GLN 36 -0.424 -2.612 7.630 142 HB2 GLN 36 HB2 GLN 36 1.907 -0.817 8.314 143 HB3 GLN 36 HB3 GLN 36 0.271 -0.637 8.938 144 HG2 GLN 36 HG2 GLN 36 2.084 -2.989 9.383 145 HG3 GLN 36 HG3 GLN 36 1.711 -1.727 10.559 146 HE21 GLN 36 HE22 GLN 36 -0.335 -1.686 11.509 147 HE22 GLN 36 HE21 GLN 36 -1.408 -3.046 11.435 148 H LEU 37 H LEU 37 1.972 -0.919 5.706 149 HA LEU 37 HA LEU 37 0.364 1.287 5.046 150 HB2 LEU 37 HB2 LEU 37 2.754 0.103 3.627 151 HB3 LEU 37 HB3 LEU 37 2.031 1.652 3.230 152 HG LEU 37 HG LEU 37 3.453 0.886 5.773 153 HD11 LEU 37 HD11 LEU 37 4.972 1.417 4.005 154 HD12 LEU 37 HD12 LEU 37 4.923 2.783 5.120 155 HD13 LEU 37 HD13 LEU 37 4.055 2.864 3.587 156 HD21 LEU 37 HD21 LEU 37 3.069 3.328 6.356 157 HD22 LEU 37 HD22 LEU 37 1.699 2.228 6.539 158 HD23 LEU 37 HD23 LEU 37 1.792 3.301 5.139 159 H THR 38 H THR 38 0.435 -1.953 3.819 160 HA THR 38 HA THR 38 -1.113 -1.176 1.474 161 HB THR 38 HB THR 38 -1.092 -3.698 1.021 162 HG1 THR 38 HG1 THR 38 1.077 -3.614 2.859 163 HG21 THR 38 HG21 THR 38 1.314 -1.915 0.914 164 HG22 THR 38 HG22 THR 38 0.237 -2.408 -0.385 165 HG23 THR 38 HG23 THR 38 1.377 -3.562 0.303 166 H GLU 39 H GLU 39 -1.673 -2.298 4.689 167 HA GLU 39 HA GLU 39 -4.238 -3.474 3.943 168 HB2 GLU 39 HB2 GLU 39 -2.763 -3.380 6.565 169 HB3 GLU 39 HB3 GLU 39 -4.407 -3.986 6.419 170 HG2 GLU 39 HG2 GLU 39 -3.389 -5.510 4.574 171 HG3 GLU 39 HG3 GLU 39 -1.864 -5.135 5.374 172 H GLU 40 H GLU 40 -2.969 -0.603 5.489 173 HA GLU 40 HA GLU 40 -5.559 0.292 6.365 174 HB2 GLU 40 HB2 GLU 40 -2.939 1.764 6.072 175 HB3 GLU 40 HB3 GLU 40 -4.393 2.460 6.774 176 HG2 GLU 40 HG2 GLU 40 -4.354 0.610 8.461 177 HG3 GLU 40 HG3 GLU 40 -2.772 0.161 7.829 178 H LEU 41 H LEU 41 -4.094 0.028 3.410 179 HA LEU 41 HA LEU 41 -5.685 2.200 2.252 180 HB2 LEU 41 HB2 LEU 41 -3.394 2.374 1.614 181 HB3 LEU 41 HB3 LEU 41 -3.314 0.677 1.189 182 HG LEU 41 HG LEU 41 -4.723 1.037 -0.740 183 HD11 LEU 41 HD11 LEU 41 -6.237 2.681 0.089 184 HD12 LEU 41 HD12 LEU 41 -5.423 3.354 -1.329 185 HD13 LEU 41 HD13 LEU 41 -4.934 3.859 0.289 186 HD21 LEU 41 HD21 LEU 41 -2.420 1.384 -1.166 187 HD22 LEU 41 HD22 LEU 41 -2.460 2.987 -0.431 188 HD23 LEU 41 HD23 LEU 41 -3.281 2.701 -1.965 189 H ARG 42 H ARG 42 -7.417 1.752 1.082 190 HA ARG 42 HA ARG 42 -8.053 -1.041 0.573 191 HB2 ARG 42 HB2 ARG 42 -9.645 1.449 0.827 192 HB3 ARG 42 HB3 ARG 42 -10.272 0.186 -0.216 193 HG2 ARG 42 HG2 ARG 42 -9.977 -1.364 1.796 194 HG3 ARG 42 HG3 ARG 42 -9.821 0.126 2.736 195 HD2 ARG 42 HD2 ARG 42 -11.959 0.908 1.793 196 HD3 ARG 42 HD3 ARG 42 -12.127 -0.629 0.949 197 HE ARG 42 HE ARG 42 -11.771 -1.069 3.721 198 HH11 ARG 42 HH11 ARG 42 -14.130 0.052 1.403 199 HH12 ARG 42 HH12 ARG 42 -15.499 -0.348 2.393 200 HH21 ARG 42 HH22 ARG 42 -13.558 -1.619 5.035 201 HH22 ARG 42 HH21 ARG 42 -15.169 -1.322 4.462 202 H CYS 43 H CYS 43 -8.068 -1.914 -1.384 203 HA CYS 43 HA CYS 43 -8.201 -0.217 -3.761 204 HB2 CYS 43 HB2 CYS 43 -6.700 -2.232 -3.748 205 HB3 CYS 43 HB3 CYS 43 -8.116 -3.248 -3.509 206 HG CYS 43 HG CYS 43 -8.961 -3.297 -5.976 207 HA PRO 44 HA PRO 44 -12.641 -0.466 -3.639 208 HB2 PRO 44 HB3 PRO 44 -12.599 -0.241 -6.583 209 HB3 PRO 44 HB2 PRO 44 -13.291 0.854 -5.380 210 HG2 PRO 44 HG2 PRO 44 -11.075 1.514 -6.723 211 HG3 PRO 44 HG3 PRO 44 -11.274 1.937 -5.010 212 HD2 PRO 44 HD2 PRO 44 -9.724 -0.325 -6.230 213 HD3 PRO 44 HD3 PRO 44 -9.248 0.787 -4.928 214 H LYS 45 H LYS 45 -11.998 -2.889 -3.208 215 HA LYS 45 HA LYS 45 -13.820 -4.471 -4.754 216 HB2 LYS 45 HB2 LYS 45 -11.759 -4.574 -6.148 217 HB3 LYS 45 HB3 LYS 45 -10.889 -5.232 -4.772 218 HG2 LYS 45 HG2 LYS 45 -12.141 -7.236 -4.827 219 HG3 LYS 45 HG3 LYS 45 -13.299 -6.559 -5.973 220 HD2 LYS 45 HD2 LYS 45 -11.479 -6.365 -7.634 221 HD3 LYS 45 HD3 LYS 45 -10.390 -7.149 -6.490 222 HE2 LYS 45 HE2 LYS 45 -11.647 -9.174 -6.567 223 HE3 LYS 45 HE3 LYS 45 -12.945 -8.399 -7.474 224 HZ1 LYS 45 HZ1 LYS 45 -11.433 -8.098 -9.327 225 HZ2 LYS 45 HZ2 LYS 45 -11.543 -9.739 -8.915 226 HZ3 LYS 45 HZ3 LYS 45 -10.176 -8.841 -8.462 227 H CYS 46 H CYS 46 -14.870 -5.520 -3.222 228 HA CYS 46 HA CYS 46 -13.898 -5.754 -0.562 229 HB2 CYS 46 HB2 CYS 46 -16.300 -7.007 -1.886 230 HB3 CYS 46 HB3 CYS 46 -16.008 -6.947 -0.150 231 HG CYS 46 HG CYS 46 -17.810 -4.995 -0.330 232 H GLN 47 H GLN 47 -13.935 -7.835 -3.309 233 HA GLN 47 HA GLN 47 -13.340 -10.205 -1.740 234 HB2 GLN 47 HB2 GLN 47 -13.642 -9.771 -4.708 235 HB3 GLN 47 HB3 GLN 47 -13.403 -11.340 -3.943 236 HG2 GLN 47 HG2 GLN 47 -15.720 -9.481 -3.438 237 HG3 GLN 47 HG3 GLN 47 -15.758 -10.904 -4.490 238 HE21 GLN 47 HE22 GLN 47 -15.589 -12.961 -3.548 239 HE22 GLN 47 HE21 GLN 47 -15.973 -13.219 -1.879 240 H ASN 48 H ASN 48 -11.429 -8.130 -1.576 241 HA ASN 48 HA ASN 48 -9.076 -9.619 -2.360 242 HB2 ASN 48 HB2 ASN 48 -9.568 -8.138 -4.322 243 HB3 ASN 48 HB3 ASN 48 -9.427 -6.745 -3.254 244 HD21 ASN 48 HD22 ASN 48 -7.439 -6.055 -2.610 245 HD22 ASN 48 HD21 ASN 48 -5.959 -6.690 -3.246 246 H ASN 49 H ASN 49 -7.422 -9.304 -0.910 247 HA ASN 49 HA ASN 49 -8.169 -8.048 1.559 248 HB2 ASN 49 HB2 ASN 49 -5.537 -9.324 0.778 249 HB3 ASN 49 HB3 ASN 49 -6.029 -8.893 2.411 250 HD21 ASN 49 HD22 ASN 49 -7.647 -10.101 3.434 251 HD22 ASN 49 HD21 ASN 49 -8.071 -11.687 2.884 252 H SER 50 H SER 50 -8.362 -5.867 0.799 253 HA SER 50 HA SER 50 -7.707 -3.738 0.427 254 HB2 SER 50 HB2 SER 50 -5.259 -4.628 1.968 255 HB3 SER 50 HB3 SER 50 -5.737 -2.956 1.678 256 HG SER 50 HG SER 50 -6.734 -3.244 3.522 257 H ILE 51 H ILE 51 -4.318 -4.053 0.388 258 HA ILE 51 HA ILE 51 -4.235 -4.928 -2.414 259 HB ILE 51 HB ILE 51 -2.538 -3.243 -2.989 260 HG12 ILE 51 HG12 ILE 51 -3.248 -1.885 -0.388 261 HG13 ILE 51 HG13 ILE 51 -1.808 -2.870 -0.609 262 HG21 ILE 51 HG21 ILE 51 -4.816 -2.762 -3.612 263 HG22 ILE 51 HG22 ILE 51 -4.012 -1.271 -3.122 264 HG23 ILE 51 HG23 ILE 51 -5.139 -2.067 -2.024 265 HD11 ILE 51 HD11 ILE 51 -2.464 -0.386 -2.172 266 HD12 ILE 51 HD12 ILE 51 -0.990 -1.348 -2.296 267 HD13 ILE 51 HD13 ILE 51 -1.352 -0.478 -0.806 268 H ALA 52 H ALA 52 -3.346 -5.508 0.616 269 HA ALA 52 HA ALA 52 -0.556 -5.499 0.722 270 HB1 ALA 52 HB1 ALA 52 -2.537 -7.203 2.210 271 HB2 ALA 52 HB2 ALA 52 -1.856 -5.661 2.719 272 HB3 ALA 52 HB3 ALA 52 -0.823 -7.085 2.605 273 H ASP 53 H ASP 53 -2.595 -8.405 0.410 274 HA ASP 53 HA ASP 53 -0.496 -9.524 -1.320 275 HB2 ASP 53 HB2 ASP 53 -0.781 -10.842 0.744 276 HB3 ASP 53 HB3 ASP 53 -2.491 -11.045 0.378 277 H SER 54 H SER 54 -1.274 -8.681 -3.189 278 HA SER 54 HA SER 54 -3.778 -9.829 -4.174 279 HB2 SER 54 HB2 SER 54 -3.042 -6.923 -4.570 280 HB3 SER 54 HB3 SER 54 -4.555 -7.718 -5.009 281 HG SER 54 HG SER 54 -4.129 -8.126 -2.423 282 H ASN 55 H ASN 55 -3.873 -9.899 -6.509 283 HA ASN 55 HA ASN 55 -1.176 -9.771 -7.691 284 HB2 ASN 55 HB2 ASN 55 -3.483 -11.591 -8.391 285 HB3 ASN 55 HB3 ASN 55 -1.972 -11.505 -9.293 286 HD21 ASN 55 HD22 ASN 55 -0.413 -11.089 -6.808 287 HD22 ASN 55 HD21 ASN 55 -0.337 -12.640 -6.046 288 H SER 56 H SER 56 -3.872 -8.057 -7.547 289 HA SER 56 HA SER 56 -4.440 -7.439 -10.238 290 HB2 SER 56 HB2 SER 56 -5.955 -6.828 -8.427 291 HB3 SER 56 HB3 SER 56 -4.743 -5.741 -7.749 292 HG SER 56 HG SER 56 -6.531 -5.314 -9.739 293 H MET 57 H MET 57 -3.502 -6.117 -11.634 294 HA MET 57 HA MET 57 -0.862 -5.320 -11.509 295 HB2 MET 57 HB2 MET 57 -2.802 -3.686 -13.087 296 HB3 MET 57 HB3 MET 57 -1.206 -4.254 -13.542 297 HG2 MET 57 HG2 MET 57 -2.111 -5.933 -14.628 298 HG3 MET 57 HG3 MET 57 -2.844 -6.510 -13.133 299 HE1 MET 57 HE1 MET 57 -6.302 -4.693 -13.149 300 HE2 MET 57 HE2 MET 57 -4.806 -4.506 -12.225 301 HE3 MET 57 HE3 MET 57 -5.482 -6.115 -12.504 302 H ILE 58 H ILE 58 -3.784 -3.609 -10.650 303 HA ILE 58 HA ILE 58 -2.434 -1.103 -10.280 304 HB ILE 58 HB ILE 58 -4.473 -0.152 -10.316 305 HG12 ILE 58 HG12 ILE 58 -6.531 -1.390 -9.247 306 HG13 ILE 58 HG13 ILE 58 -5.286 -2.307 -8.404 307 HG21 ILE 58 HG21 ILE 58 -5.068 -2.950 -11.246 308 HG22 ILE 58 HG22 ILE 58 -4.668 -1.525 -12.211 309 HG23 ILE 58 HG23 ILE 58 -6.227 -1.624 -11.395 310 HD11 ILE 58 HD11 ILE 58 -5.944 0.602 -8.222 311 HD12 ILE 58 HD12 ILE 58 -4.334 0.007 -7.801 312 HD13 ILE 58 HD13 ILE 58 -5.756 -0.590 -6.932 313 H ALA 59 H ALA 59 -3.504 -3.760 -8.252 314 HA ALA 59 HA ALA 59 -3.219 -2.508 -5.746 315 HB1 ALA 59 HB1 ALA 59 -2.814 -5.394 -6.532 316 HB2 ALA 59 HB2 ALA 59 -4.283 -4.668 -5.882 317 HB3 ALA 59 HB3 ALA 59 -2.849 -4.810 -4.869 318 H THR 60 H THR 60 -0.943 -4.333 -7.749 319 HA THR 60 HA THR 60 1.331 -3.956 -6.143 320 HB THR 60 HB THR 60 1.117 -4.338 -9.132 321 HG1 THR 60 HG1 THR 60 1.227 -6.485 -8.671 322 HG21 THR 60 HG21 THR 60 3.280 -3.401 -8.419 323 HG22 THR 60 HG22 THR 60 3.432 -5.039 -9.061 324 HG23 THR 60 HG23 THR 60 3.492 -4.765 -7.318 325 H ASP 61 H ASP 61 -0.072 -2.040 -8.740 326 HA ASP 61 HA ASP 61 1.804 -0.076 -9.158 327 HB2 ASP 61 HB2 ASP 61 -0.612 -0.403 -10.154 328 HB3 ASP 61 HB3 ASP 61 -1.091 0.661 -8.845 329 H LEU 62 H LEU 62 -0.754 -0.121 -6.707 330 HA LEU 62 HA LEU 62 -0.030 2.338 -5.493 331 HB2 LEU 62 HB2 LEU 62 -1.530 0.066 -4.197 332 HB3 LEU 62 HB3 LEU 62 -1.609 1.766 -3.782 333 HG LEU 62 HG LEU 62 -2.709 0.445 -6.255 334 HD11 LEU 62 HD11 LEU 62 -3.998 0.193 -4.172 335 HD12 LEU 62 HD12 LEU 62 -4.845 1.141 -5.395 336 HD13 LEU 62 HD13 LEU 62 -4.072 1.949 -4.030 337 HD21 LEU 62 HD21 LEU 62 -3.503 2.650 -6.919 338 HD22 LEU 62 HD22 LEU 62 -1.742 2.613 -6.832 339 HD23 LEU 62 HD23 LEU 62 -2.671 3.376 -5.543 340 H ARG 63 H ARG 63 0.764 -1.029 -4.839 341 HA ARG 63 HA ARG 63 2.010 -0.633 -2.347 342 HB2 ARG 63 HB2 ARG 63 2.339 -2.795 -4.424 343 HB3 ARG 63 HB3 ARG 63 3.141 -2.836 -2.857 344 HG2 ARG 63 HG2 ARG 63 0.886 -2.666 -1.793 345 HG3 ARG 63 HG3 ARG 63 0.184 -2.865 -3.400 346 HD2 ARG 63 HD2 ARG 63 2.107 -4.820 -2.170 347 HD3 ARG 63 HD3 ARG 63 0.357 -4.952 -2.004 348 HE ARG 63 HE ARG 63 1.065 -4.702 -4.738 349 HH11 ARG 63 HH11 ARG 63 1.083 -7.035 -2.131 350 HH12 ARG 63 HH12 ARG 63 1.155 -8.411 -3.192 351 HH21 ARG 63 HH22 ARG 63 1.146 -6.517 -6.146 352 HH22 ARG 63 HH21 ARG 63 1.182 -8.119 -5.465 353 H GLN 64 H GLN 64 3.233 -0.411 -5.638 354 HA GLN 64 HA GLN 64 5.954 -0.124 -4.955 355 HB2 GLN 64 HB2 GLN 64 4.448 0.933 -7.344 356 HB3 GLN 64 HB3 GLN 64 6.199 0.893 -7.197 357 HG2 GLN 64 HG2 GLN 64 6.103 -1.552 -7.004 358 HG3 GLN 64 HG3 GLN 64 4.360 -1.486 -7.210 359 HE21 GLN 64 HE22 GLN 64 6.546 0.612 -8.948 360 HE22 GLN 64 HE21 GLN 64 6.290 -0.103 -10.508 361 H LYS 65 H LYS 65 3.307 2.198 -5.252 362 HA LYS 65 HA LYS 65 4.802 4.542 -4.807 363 HB2 LYS 65 HB2 LYS 65 2.477 4.622 -5.531 364 HB3 LYS 65 HB3 LYS 65 1.953 3.912 -4.012 365 HG2 LYS 65 HG2 LYS 65 1.527 6.123 -3.576 366 HG3 LYS 65 HG3 LYS 65 3.184 6.004 -3.000 367 HD2 LYS 65 HD2 LYS 65 2.793 6.703 -5.856 368 HD3 LYS 65 HD3 LYS 65 2.425 7.937 -4.649 369 HE2 LYS 65 HE2 LYS 65 4.621 7.807 -3.750 370 HE3 LYS 65 HE3 LYS 65 5.006 6.404 -4.734 371 HZ1 LYS 65 HZ1 LYS 65 4.479 9.150 -5.741 372 HZ2 LYS 65 HZ2 LYS 65 4.835 7.801 -6.708 373 HZ3 LYS 65 HZ3 LYS 65 5.994 8.404 -5.636 374 H VAL 66 H VAL 66 3.110 2.371 -2.579 375 HA VAL 66 HA VAL 66 3.694 3.540 -0.140 376 HB VAL 66 HB VAL 66 3.377 0.641 -0.914 377 HG11 VAL 66 HG11 VAL 66 4.815 1.072 1.169 378 HG12 VAL 66 HG12 VAL 66 3.445 -0.030 1.311 379 HG13 VAL 66 HG13 VAL 66 3.317 1.625 1.911 380 HG21 VAL 66 HG21 VAL 66 1.206 0.891 0.103 381 HG22 VAL 66 HG22 VAL 66 1.435 2.154 -1.106 382 HG23 VAL 66 HG23 VAL 66 1.596 2.536 0.607 383 H TYR 67 H TYR 67 5.783 1.391 -2.073 384 HA TYR 67 HA TYR 67 7.840 1.298 -0.109 385 HB2 TYR 67 HB2 TYR 67 7.720 -0.418 -1.832 386 HB3 TYR 67 HB3 TYR 67 8.000 0.788 -3.087 387 HD1 TYR 67 HD1 TYR 67 9.573 -0.751 -0.078 388 HD2 TYR 67 HD2 TYR 67 10.174 1.334 -3.738 389 HE1 TYR 67 HE1 TYR 67 11.995 -1.110 0.122 390 HE2 TYR 67 HE2 TYR 67 12.600 0.983 -3.544 391 HH TYR 67 HH TYR 67 13.971 -1.178 -1.262 392 H GLU 68 H GLU 68 7.473 3.215 -3.102 393 HA GLU 68 HA GLU 68 9.754 4.771 -2.931 394 HB2 GLU 68 HB2 GLU 68 7.001 5.696 -3.767 395 HB3 GLU 68 HB3 GLU 68 8.526 6.454 -4.205 396 HG2 GLU 68 HG2 GLU 68 9.162 4.439 -5.434 397 HG3 GLU 68 HG3 GLU 68 7.619 3.703 -5.007 398 H LEU 69 H LEU 69 6.595 5.339 -1.483 399 HA LEU 69 HA LEU 69 7.066 7.833 -0.335 400 HB2 LEU 69 HB2 LEU 69 5.233 5.585 0.462 401 HB3 LEU 69 HB3 LEU 69 5.164 7.189 1.162 402 HG LEU 69 HG LEU 69 4.880 6.695 -1.792 403 HD11 LEU 69 HD11 LEU 69 2.788 6.701 0.344 404 HD12 LEU 69 HD12 LEU 69 3.070 5.511 -0.914 405 HD13 LEU 69 HD13 LEU 69 2.420 7.097 -1.327 406 HD21 LEU 69 HD21 LEU 69 3.946 8.907 -1.843 407 HD22 LEU 69 HD22 LEU 69 5.523 8.964 -1.051 408 HD23 LEU 69 HD23 LEU 69 4.045 9.032 -0.086 409 H MET 70 H MET 70 7.895 4.625 0.830 410 HA MET 70 HA MET 70 8.530 5.247 3.485 411 HB2 MET 70 HB2 MET 70 9.883 3.274 1.634 412 HB3 MET 70 HB3 MET 70 10.132 3.345 3.371 413 HG2 MET 70 HG2 MET 70 7.758 2.836 3.712 414 HG3 MET 70 HG3 MET 70 7.544 2.716 1.966 415 HE1 MET 70 HE1 MET 70 7.263 -1.005 2.846 416 HE2 MET 70 HE2 MET 70 6.505 0.435 2.161 417 HE3 MET 70 HE3 MET 70 6.700 0.286 3.909 418 H GLN 71 H GLN 71 10.609 5.320 0.582 419 HA GLN 71 HA GLN 71 12.782 6.475 2.089 420 HB2 GLN 71 HB2 GLN 71 13.924 6.562 -0.161 421 HB3 GLN 71 HB3 GLN 71 13.455 4.965 0.395 422 HG2 GLN 71 HG2 GLN 71 12.642 4.720 -1.667 423 HG3 GLN 71 HG3 GLN 71 11.284 5.667 -1.070 424 HE21 GLN 71 HE22 GLN 71 11.037 7.776 -1.735 425 HE22 GLN 71 HE21 GLN 71 11.950 8.462 -3.034 426 H GLU 72 H GLU 72 10.015 7.681 0.626 427 HA GLU 72 HA GLU 72 11.080 10.298 0.025 428 HB2 GLU 72 HB2 GLU 72 8.227 9.358 0.362 429 HB3 GLU 72 HB3 GLU 72 8.695 10.966 -0.179 430 HG2 GLU 72 HG2 GLU 72 9.916 9.825 -2.078 431 HG3 GLU 72 HG3 GLU 72 9.085 8.352 -1.592 432 H GLY 73 H GLY 73 9.881 8.586 2.756 433 HA2 GLY 73 HA2 GLY 73 10.475 9.285 4.937 434 HA3 GLY 73 HA3 GLY 73 10.465 10.952 4.389 435 H LYS 74 H LYS 74 7.862 9.036 3.330 436 HA LYS 74 HA LYS 74 5.957 10.591 4.811 437 HB2 LYS 74 HB2 LYS 74 5.332 8.046 3.360 438 HB3 LYS 74 HB3 LYS 74 4.300 9.415 3.609 439 HG2 LYS 74 HG2 LYS 74 6.755 9.580 1.890 440 HG3 LYS 74 HG3 LYS 74 5.174 9.102 1.274 441 HD2 LYS 74 HD2 LYS 74 4.408 11.196 1.292 442 HD3 LYS 74 HD3 LYS 74 5.074 11.523 2.892 443 HE2 LYS 74 HE2 LYS 74 7.171 11.288 0.935 444 HE3 LYS 74 HE3 LYS 74 5.984 12.495 0.431 445 HZ1 LYS 74 HZ1 LYS 74 7.316 12.443 3.093 446 HZ2 LYS 74 HZ2 LYS 74 6.235 13.616 2.537 447 HZ3 LYS 74 HZ3 LYS 74 7.759 13.456 1.815 448 H SER 75 H SER 75 4.598 9.888 6.374 449 HA SER 75 HA SER 75 5.644 7.838 8.148 450 HB2 SER 75 HB2 SER 75 3.321 9.739 8.536 451 HB3 SER 75 HB3 SER 75 4.119 8.782 9.787 452 HG SER 75 HG SER 75 6.073 9.983 9.201 453 H LYS 76 H LYS 76 3.767 6.522 9.291 454 HA LYS 76 HA LYS 76 2.864 4.731 7.363 455 HB2 LYS 76 HB2 LYS 76 2.328 5.141 10.244 456 HB3 LYS 76 HB3 LYS 76 1.204 4.121 9.359 457 HG2 LYS 76 HG2 LYS 76 2.905 2.762 10.371 458 HG3 LYS 76 HG3 LYS 76 3.079 2.711 8.625 459 HD2 LYS 76 HD2 LYS 76 4.676 4.692 10.186 460 HD3 LYS 76 HD3 LYS 76 5.174 3.002 10.191 461 HE2 LYS 76 HE2 LYS 76 5.250 3.039 7.735 462 HE3 LYS 76 HE3 LYS 76 4.783 4.737 7.757 463 HZ1 LYS 76 HZ1 LYS 76 7.237 3.693 9.065 464 HZ2 LYS 76 HZ2 LYS 76 6.809 5.319 8.839 465 HZ3 LYS 76 HZ3 LYS 76 7.207 4.352 7.504 466 H LYS 77 H LYS 77 0.893 7.076 9.202 467 HA LYS 77 HA LYS 77 -1.444 6.631 7.605 468 HB2 LYS 77 HB2 LYS 77 -0.869 9.149 9.167 469 HB3 LYS 77 HB3 LYS 77 -2.430 8.435 8.792 470 HG2 LYS 77 HG2 LYS 77 -0.367 7.393 10.706 471 HG3 LYS 77 HG3 LYS 77 -1.944 8.077 11.105 472 HD2 LYS 77 HD2 LYS 77 -3.022 6.201 9.904 473 HD3 LYS 77 HD3 LYS 77 -1.427 5.504 9.606 474 HE2 LYS 77 HE2 LYS 77 -1.113 5.577 12.135 475 HE3 LYS 77 HE3 LYS 77 -2.845 5.886 12.230 476 HZ1 LYS 77 HZ1 LYS 77 -3.056 3.778 10.815 477 HZ2 LYS 77 HZ2 LYS 77 -2.649 3.600 12.456 478 HZ3 LYS 77 HZ3 LYS 77 -1.451 3.469 11.267 479 H GLU 78 H GLU 78 1.291 8.751 7.444 480 HA GLU 78 HA GLU 78 0.248 10.592 5.580 481 HB2 GLU 78 HB2 GLU 78 2.032 11.533 6.616 482 HB3 GLU 78 HB3 GLU 78 2.879 10.008 6.790 483 HG2 GLU 78 HG2 GLU 78 4.058 10.291 4.967 484 HG3 GLU 78 HG3 GLU 78 2.747 11.004 4.043 485 H ILE 79 H ILE 79 1.957 7.513 5.149 486 HA ILE 79 HA ILE 79 2.329 7.739 2.355 487 HB ILE 79 HB ILE 79 2.260 5.431 4.253 488 HG12 ILE 79 HG12 ILE 79 4.315 5.170 2.378 489 HG13 ILE 79 HG13 ILE 79 4.188 6.900 2.666 490 HG21 ILE 79 HG21 ILE 79 0.964 5.071 1.911 491 HG22 ILE 79 HG22 ILE 79 1.840 3.795 2.760 492 HG23 ILE 79 HG23 ILE 79 2.613 4.665 1.434 493 HD11 ILE 79 HD11 ILE 79 4.426 4.894 4.882 494 HD12 ILE 79 HD12 ILE 79 4.654 6.640 4.959 495 HD13 ILE 79 HD13 ILE 79 5.821 5.637 4.096 496 H VAL 80 H VAL 80 -0.300 6.226 4.235 497 HA VAL 80 HA VAL 80 -1.754 5.492 1.913 498 HB VAL 80 HB VAL 80 -2.211 4.170 3.800 499 HG11 VAL 80 HG11 VAL 80 -2.854 6.696 5.303 500 HG12 VAL 80 HG12 VAL 80 -1.455 5.652 5.550 501 HG13 VAL 80 HG13 VAL 80 -3.074 5.063 5.927 502 HG21 VAL 80 HG21 VAL 80 -4.183 4.715 2.443 503 HG22 VAL 80 HG22 VAL 80 -4.541 6.036 3.552 504 HG23 VAL 80 HG23 VAL 80 -4.594 4.368 4.124 505 H ASP 81 H ASP 81 -1.914 8.265 4.101 506 HA ASP 81 HA ASP 81 -4.192 9.469 2.952 507 HB2 ASP 81 HB2 ASP 81 -3.178 10.168 5.119 508 HB3 ASP 81 HB3 ASP 81 -1.830 10.855 4.223 509 H TYR 82 H TYR 82 -0.781 9.589 2.179 510 HA TYR 82 HA TYR 82 -0.819 11.542 0.169 511 HB2 TYR 82 HB2 TYR 82 1.200 10.339 1.271 512 HB3 TYR 82 HB3 TYR 82 0.928 9.097 0.058 513 HD1 TYR 82 HD2 TYR 82 0.922 9.835 -2.410 514 HD2 TYR 82 HD1 TYR 82 2.470 12.200 0.749 515 HE1 TYR 82 HE2 TYR 82 2.230 11.137 -4.039 516 HE2 TYR 82 HE1 TYR 82 3.782 13.523 -0.860 517 HH TYR 82 HH TYR 82 3.291 13.287 -4.259 518 H MET 83 H MET 83 -1.322 8.056 0.070 519 HA MET 83 HA MET 83 -1.550 7.843 -2.720 520 HB2 MET 83 HB2 MET 83 -2.640 6.078 -0.533 521 HB3 MET 83 HB3 MET 83 -2.666 5.662 -2.240 522 HG2 MET 83 HG2 MET 83 -0.029 6.368 -1.730 523 HG3 MET 83 HG3 MET 83 -0.530 5.438 -0.318 524 HE1 MET 83 HE1 MET 83 -1.974 5.041 -3.932 525 HE2 MET 83 HE2 MET 83 -0.897 3.828 -4.621 526 HE3 MET 83 HE3 MET 83 -0.286 5.441 -4.248 527 H VAL 84 H VAL 84 -4.074 8.240 -0.211 528 HA VAL 84 HA VAL 84 -6.180 8.212 -2.144 529 HB VAL 84 HB VAL 84 -7.698 8.867 -0.444 530 HG11 VAL 84 HG11 VAL 84 -5.564 7.155 0.795 531 HG12 VAL 84 HG12 VAL 84 -6.888 6.610 -0.228 532 HG13 VAL 84 HG13 VAL 84 -7.225 7.292 1.363 533 HG21 VAL 84 HG21 VAL 84 -6.926 10.710 0.663 534 HG22 VAL 84 HG22 VAL 84 -5.318 10.033 0.906 535 HG23 VAL 84 HG23 VAL 84 -6.665 9.472 1.891 536 H ALA 85 H ALA 85 -4.101 10.671 -0.854 537 HA ALA 85 HA ALA 85 -5.607 12.914 -1.638 538 HB1 ALA 85 HB1 ALA 85 -3.396 14.115 -1.440 539 HB2 ALA 85 HB2 ALA 85 -2.677 12.545 -1.067 540 HB3 ALA 85 HB3 ALA 85 -3.920 13.223 -0.012 541 H ARG 86 H ARG 86 -3.088 11.041 -3.279 542 HA ARG 86 HA ARG 86 -3.337 12.753 -5.646 543 HB2 ARG 86 HB2 ARG 86 -1.312 10.780 -4.701 544 HB3 ARG 86 HB3 ARG 86 -1.428 11.104 -6.424 545 HG2 ARG 86 HG2 ARG 86 0.259 12.512 -5.584 546 HG3 ARG 86 HG3 ARG 86 -1.150 13.542 -5.851 547 HD2 ARG 86 HD2 ARG 86 -1.705 13.387 -3.476 548 HD3 ARG 86 HD3 ARG 86 -0.291 12.369 -3.209 549 HE ARG 86 HE ARG 86 0.718 14.617 -4.382 550 HH11 ARG 86 HH11 ARG 86 -1.219 14.015 -1.519 551 HH12 ARG 86 HH12 ARG 86 -0.600 15.390 -0.655 552 HH21 ARG 86 HH22 ARG 86 1.538 16.415 -3.237 553 HH22 ARG 86 HH21 ARG 86 0.987 16.728 -1.618 554 H TYR 87 H TYR 87 -3.408 9.295 -4.832 555 HA TYR 87 HA TYR 87 -4.536 8.689 -7.461 556 HB2 TYR 87 HB2 TYR 87 -3.444 6.914 -5.277 557 HB3 TYR 87 HB3 TYR 87 -4.148 6.313 -6.769 558 HD1 TYR 87 HD2 TYR 87 -3.049 7.047 -8.967 559 HD2 TYR 87 HD1 TYR 87 -1.150 7.435 -5.175 560 HE1 TYR 87 HE2 TYR 87 -0.864 7.180 -10.079 561 HE2 TYR 87 HE1 TYR 87 1.057 7.564 -6.278 562 HH TYR 87 HH TYR 87 1.329 7.858 -9.746 563 H GLY 88 H GLY 88 -6.046 10.001 -5.256 564 HA2 GLY 88 HA2 GLY 88 -7.852 8.141 -4.111 565 HA3 GLY 88 HA3 GLY 88 -8.089 9.876 -4.212 566 H ASN 89 H ASN 89 -8.569 6.844 -5.694 567 HA ASN 89 HA ASN 89 -10.992 7.294 -6.905 568 HB2 ASN 89 HB2 ASN 89 -9.838 8.846 -8.434 569 HB3 ASN 89 HB3 ASN 89 -8.675 7.590 -8.839 570 HD21 ASN 89 HD22 ASN 89 -9.160 7.610 -11.008 571 HD22 ASN 89 HD21 ASN 89 -10.648 6.995 -11.647 572 H PHE 90 H PHE 90 -7.861 5.883 -7.229 573 HA PHE 90 HA PHE 90 -9.025 3.230 -7.685 574 HB2 PHE 90 HB2 PHE 90 -6.128 4.085 -7.884 575 HB3 PHE 90 HB3 PHE 90 -6.791 2.526 -8.357 576 HD1 PHE 90 HD2 PHE 90 -8.451 2.464 -10.269 577 HD2 PHE 90 HD1 PHE 90 -6.058 5.865 -9.379 578 HE1 PHE 90 HE2 PHE 90 -8.830 3.321 -12.545 579 HE2 PHE 90 HE1 PHE 90 -6.432 6.730 -11.653 580 HZ PHE 90 HZ PHE 90 -7.821 5.458 -13.238 581 H VAL 91 H VAL 91 -7.738 5.233 -5.302 582 HA VAL 91 HA VAL 91 -7.309 2.934 -3.519 583 HB VAL 91 HB VAL 91 -5.347 3.733 -2.710 584 HG11 VAL 91 HG11 VAL 91 -5.252 5.517 -5.126 585 HG12 VAL 91 HG12 VAL 91 -5.164 3.751 -5.247 586 HG13 VAL 91 HG13 VAL 91 -3.932 4.634 -4.345 587 HG21 VAL 91 HG21 VAL 91 -6.327 5.670 -1.648 588 HG22 VAL 91 HG22 VAL 91 -6.328 6.537 -3.184 589 HG23 VAL 91 HG23 VAL 91 -4.800 6.108 -2.416 590 H THR 92 H THR 92 -7.840 3.352 -1.265 591 HA THR 92 HA THR 92 -9.139 5.842 -0.577 592 HB THR 92 HB THR 92 -10.719 3.249 -0.544 593 HG1 THR 92 HG1 THR 92 -10.415 5.117 -2.444 594 HG21 THR 92 HG21 THR 92 -11.245 4.648 1.381 595 HG22 THR 92 HG22 THR 92 -12.588 4.648 0.237 596 HG23 THR 92 HG23 THR 92 -11.503 6.036 0.324 597 H TYR 93 H TYR 93 -9.054 6.240 1.619 598 HA TYR 93 HA TYR 93 -7.610 4.269 3.210 599 HB2 TYR 93 HB2 TYR 93 -6.683 6.447 3.420 600 HB3 TYR 93 HB3 TYR 93 -8.257 7.193 3.655 601 HD1 TYR 93 HD1 TYR 93 -5.784 4.912 5.226 602 HD2 TYR 93 HD2 TYR 93 -9.124 7.473 5.839 603 HE1 TYR 93 HE1 TYR 93 -5.487 4.707 7.657 604 HE2 TYR 93 HE2 TYR 93 -8.835 7.275 8.271 605 HH TYR 93 HH TYR 93 -7.827 5.516 9.853 606 H ASP 94 H ASP 94 -8.763 2.799 4.189 607 HA ASP 94 HA ASP 94 -11.064 3.444 5.800 608 HB2 ASP 94 HB2 ASP 94 -11.364 2.374 3.088 609 HB3 ASP 94 HB3 ASP 94 -12.120 1.359 4.307 610 HA PRO 95 HA PRO 95 -9.845 -0.272 8.052 611 HB2 PRO 95 HB3 PRO 95 -12.367 -1.451 8.289 612 HB3 PRO 95 HB2 PRO 95 -11.677 -0.281 9.414 613 HG2 PRO 95 HG2 PRO 95 -13.605 0.151 7.180 614 HG3 PRO 95 HG3 PRO 95 -13.550 0.908 8.783 615 HD2 PRO 95 HD2 PRO 95 -12.716 2.218 6.613 616 HD3 PRO 95 HD3 PRO 95 -11.866 2.383 8.165 617 HA PRO 96 HA PRO 96 -9.490 -3.205 4.860 618 HB2 PRO 96 HB3 PRO 96 -9.066 -5.479 6.523 619 HB3 PRO 96 HB2 PRO 96 -7.852 -4.406 5.836 620 HG2 PRO 96 HG2 PRO 96 -8.440 -4.658 8.538 621 HG3 PRO 96 HG3 PRO 96 -7.537 -3.331 7.789 622 HD2 PRO 96 HD2 PRO 96 -10.381 -3.450 8.652 623 HD3 PRO 96 HD3 PRO 96 -9.247 -2.086 8.648 624 H LEU 97 H LEU 97 -10.092 -5.643 4.352 625 HA LEU 97 HA LEU 97 -12.986 -5.734 4.405 626 HB2 LEU 97 HB2 LEU 97 -10.901 -7.444 3.092 627 HB3 LEU 97 HB3 LEU 97 -12.614 -7.773 2.959 628 HG LEU 97 HG LEU 97 -11.972 -6.669 0.956 629 HD11 LEU 97 HD11 LEU 97 -13.327 -4.703 2.793 630 HD12 LEU 97 HD12 LEU 97 -14.105 -5.954 1.821 631 HD13 LEU 97 HD13 LEU 97 -13.295 -4.599 1.032 632 HD21 LEU 97 HD21 LEU 97 -9.863 -5.705 1.715 633 HD22 LEU 97 HD22 LEU 97 -10.748 -4.500 2.652 634 HD23 LEU 97 HD23 LEU 97 -10.857 -4.504 0.891 635 H THR 98 H THR 98 -11.125 -6.272 6.689 636 HA THR 98 HA THR 98 -11.124 -8.863 7.574 637 HB THR 98 HB THR 98 -9.973 -6.992 8.719 638 HG1 THR 98 HG1 THR 98 -9.987 -8.450 10.252 639 HG21 THR 98 HG21 THR 98 -11.132 -5.459 10.158 640 HG22 THR 98 HG22 THR 98 -12.676 -6.245 9.828 641 HG23 THR 98 HG23 THR 98 -11.845 -5.365 8.546 642 HA PRO 99 HA PRO 99 -15.364 -10.041 8.057 643 HB2 PRO 99 HB3 PRO 99 -15.013 -11.805 10.162 644 HB3 PRO 99 HB2 PRO 99 -14.765 -12.200 8.459 645 HG2 PRO 99 HG2 PRO 99 -12.762 -11.469 10.548 646 HG3 PRO 99 HG3 PRO 99 -12.645 -12.676 9.253 647 HD2 PRO 99 HD2 PRO 99 -11.425 -10.294 9.068 648 HD3 PRO 99 HD3 PRO 99 -12.133 -11.087 7.648 Start of MODEL 14 1 H THR 19 H1 THR 19 13.072 -9.979 -8.302 2 HA THR 19 HA THR 19 12.585 -12.178 -7.322 3 HB THR 19 HB THR 19 11.844 -10.527 -4.902 4 HG1 THR 19 HG1 THR 19 13.577 -11.705 -3.915 5 HG21 THR 19 HG21 THR 19 11.745 -13.510 -5.373 6 HG22 THR 19 HG22 THR 19 10.352 -12.436 -5.250 7 HG23 THR 19 HG23 THR 19 11.390 -12.699 -3.848 8 H ILE 20 H ILE 20 10.722 -9.370 -6.195 9 HA ILE 20 HA ILE 20 8.468 -10.330 -7.807 10 HB ILE 20 HB ILE 20 7.962 -9.949 -5.445 11 HG12 ILE 20 HG12 ILE 20 6.280 -9.413 -7.312 12 HG13 ILE 20 HG13 ILE 20 5.923 -8.826 -5.697 13 HG21 ILE 20 HG21 ILE 20 8.690 -7.070 -5.906 14 HG22 ILE 20 HG22 ILE 20 9.627 -8.236 -4.974 15 HG23 ILE 20 HG23 ILE 20 8.023 -7.753 -4.423 16 HD11 ILE 20 HD11 ILE 20 5.409 -7.193 -7.453 17 HD12 ILE 20 HD12 ILE 20 7.112 -7.183 -7.923 18 HD13 ILE 20 HD13 ILE 20 6.629 -6.602 -6.325 19 H ASP 21 H ASP 21 10.405 -7.465 -7.144 20 HA ASP 21 HA ASP 21 10.340 -6.589 -9.846 21 HB2 ASP 21 HB2 ASP 21 8.055 -5.845 -8.795 22 HB3 ASP 21 HB3 ASP 21 9.033 -4.659 -7.938 23 H VAL 22 H VAL 22 10.879 -3.785 -9.122 24 HA VAL 22 HA VAL 22 13.520 -4.037 -8.019 25 HB VAL 22 HB VAL 22 12.836 -2.275 -9.696 26 HG11 VAL 22 HG11 VAL 22 10.692 -1.705 -8.496 27 HG12 VAL 22 HG12 VAL 22 11.658 -0.334 -9.038 28 HG13 VAL 22 HG13 VAL 22 11.677 -0.808 -7.339 29 HG21 VAL 22 HG21 VAL 22 14.925 -2.121 -8.436 30 HG22 VAL 22 HG22 VAL 22 14.085 -1.261 -7.145 31 HG23 VAL 22 HG23 VAL 22 14.236 -0.526 -8.743 32 H LEU 23 H LEU 23 10.403 -3.802 -6.828 33 HA LEU 23 HA LEU 23 10.901 -2.409 -4.375 34 HB2 LEU 23 HB2 LEU 23 8.579 -4.244 -4.801 35 HB3 LEU 23 HB3 LEU 23 8.644 -2.722 -3.936 36 HG LEU 23 HG LEU 23 8.728 -3.012 -6.940 37 HD11 LEU 23 HD11 LEU 23 6.499 -2.196 -5.094 38 HD12 LEU 23 HD12 LEU 23 6.564 -3.637 -6.107 39 HD13 LEU 23 HD13 LEU 23 6.464 -2.038 -6.848 40 HD21 LEU 23 HD21 LEU 23 9.867 -1.028 -6.431 41 HD22 LEU 23 HD22 LEU 23 8.762 -0.630 -5.119 42 HD23 LEU 23 HD23 LEU 23 8.215 -0.523 -6.788 43 H GLN 24 H GLN 24 12.745 -3.747 -3.689 44 HA GLN 24 HA GLN 24 11.934 -6.376 -2.678 45 HB2 GLN 24 HB2 GLN 24 14.668 -5.286 -3.317 46 HB3 GLN 24 HB3 GLN 24 14.392 -6.829 -2.518 47 HG2 GLN 24 HG2 GLN 24 13.408 -6.059 -5.255 48 HG3 GLN 24 HG3 GLN 24 14.779 -7.115 -4.906 49 HE21 GLN 24 HE22 GLN 24 13.467 -8.398 -2.655 50 HE22 GLN 24 HE21 GLN 24 12.268 -9.449 -3.316 51 H PHE 25 H PHE 25 11.943 -6.839 -0.602 52 HA PHE 25 HA PHE 25 12.335 -4.645 1.280 53 HB2 PHE 25 HB2 PHE 25 11.224 -7.426 1.733 54 HB3 PHE 25 HB3 PHE 25 11.115 -6.067 2.852 55 HD1 PHE 25 HD1 PHE 25 9.973 -3.919 1.851 56 HD2 PHE 25 HD2 PHE 25 9.442 -7.866 0.350 57 HE1 PHE 25 HE1 PHE 25 7.860 -3.231 0.792 58 HE2 PHE 25 HE2 PHE 25 7.331 -7.186 -0.709 59 HZ PHE 25 HZ PHE 25 6.538 -4.865 -0.493 60 H LYS 26 H LYS 26 13.958 -4.442 2.534 61 HA LYS 26 HA LYS 26 16.329 -5.760 2.450 62 HB2 LYS 26 HB2 LYS 26 16.634 -3.865 3.634 63 HB3 LYS 26 HB3 LYS 26 14.992 -3.883 4.246 64 HG2 LYS 26 HG2 LYS 26 16.614 -5.932 5.486 65 HG3 LYS 26 HG3 LYS 26 17.298 -4.316 5.695 66 HD2 LYS 26 HD2 LYS 26 14.410 -4.961 6.238 67 HD3 LYS 26 HD3 LYS 26 15.665 -5.063 7.478 68 HE2 LYS 26 HE2 LYS 26 14.995 -2.590 5.883 69 HE3 LYS 26 HE3 LYS 26 14.415 -2.922 7.513 70 HZ1 LYS 26 HZ1 LYS 26 16.323 -1.474 7.579 71 HZ2 LYS 26 HZ2 LYS 26 17.257 -2.586 6.701 72 HZ3 LYS 26 HZ3 LYS 26 16.727 -2.968 8.267 73 H ASP 27 H ASP 27 13.545 -6.525 4.402 74 HA ASP 27 HA ASP 27 14.212 -9.260 4.601 75 HB2 ASP 27 HB2 ASP 27 15.575 -7.921 6.501 76 HB3 ASP 27 HB3 ASP 27 14.029 -8.068 7.331 77 H GLU 28 H GLU 28 12.485 -10.057 6.612 78 HA GLU 28 HA GLU 28 9.965 -9.408 5.520 79 HB2 GLU 28 HB2 GLU 28 8.995 -10.793 7.134 80 HB3 GLU 28 HB3 GLU 28 10.600 -11.472 6.933 81 HG2 GLU 28 HG2 GLU 28 9.883 -9.561 9.138 82 HG3 GLU 28 HG3 GLU 28 9.759 -11.311 9.289 83 H ALA 29 H ALA 29 11.897 -7.986 7.999 84 HA ALA 29 HA ALA 29 10.056 -6.451 9.401 85 HB1 ALA 29 HB1 ALA 29 11.882 -5.164 10.150 86 HB2 ALA 29 HB2 ALA 29 12.807 -5.501 8.685 87 HB3 ALA 29 HB3 ALA 29 12.527 -6.784 9.865 88 H GLN 30 H GLN 30 11.756 -5.689 6.383 89 HA GLN 30 HA GLN 30 10.688 -3.061 6.181 90 HB2 GLN 30 HB2 GLN 30 12.736 -4.091 4.919 91 HB3 GLN 30 HB3 GLN 30 11.525 -4.698 3.803 92 HG2 GLN 30 HG2 GLN 30 10.970 -2.624 3.035 93 HG3 GLN 30 HG3 GLN 30 11.484 -1.822 4.520 94 HE21 GLN 30 HE22 GLN 30 13.597 -1.229 4.778 95 HE22 GLN 30 HE21 GLN 30 14.754 -1.273 3.479 96 H GLU 31 H GLU 31 9.717 -6.242 5.216 97 HA GLU 31 HA GLU 31 7.500 -5.454 3.602 98 HB2 GLU 31 HB2 GLU 31 8.543 -7.596 3.247 99 HB3 GLU 31 HB3 GLU 31 8.258 -8.069 4.910 100 HG2 GLU 31 HG2 GLU 31 5.792 -7.933 4.408 101 HG3 GLU 31 HG3 GLU 31 6.233 -7.736 2.713 102 H GLN 32 H GLN 32 8.054 -5.622 6.975 103 HA GLN 32 HA GLN 32 5.314 -5.988 7.787 104 HB2 GLN 32 HB2 GLN 32 7.677 -4.838 9.299 105 HB3 GLN 32 HB3 GLN 32 6.133 -5.285 10.014 106 HG2 GLN 32 HG2 GLN 32 6.516 -7.606 9.468 107 HG3 GLN 32 HG3 GLN 32 8.014 -7.188 8.637 108 HE21 GLN 32 HE22 GLN 32 8.692 -5.174 10.663 109 HE22 GLN 32 HE21 GLN 32 9.269 -6.071 12.026 110 H GLN 33 H GLN 33 7.464 -3.180 7.291 111 HA GLN 33 HA GLN 33 5.532 -1.227 7.981 112 HB2 GLN 33 HB2 GLN 33 7.871 -0.590 7.659 113 HB3 GLN 33 HB3 GLN 33 7.781 -1.036 5.962 114 HG2 GLN 33 HG2 GLN 33 6.200 0.730 5.538 115 HG3 GLN 33 HG3 GLN 33 6.131 1.120 7.258 116 HE21 GLN 33 HE22 GLN 33 9.104 0.273 5.656 117 HE22 GLN 33 HE21 GLN 33 9.827 1.837 5.739 118 H PHE 34 H PHE 34 6.405 -2.797 4.964 119 HA PHE 34 HA PHE 34 4.473 -1.709 3.282 120 HB2 PHE 34 HB2 PHE 34 6.235 -3.044 2.370 121 HB3 PHE 34 HB3 PHE 34 5.820 -4.412 3.390 122 HD1 PHE 34 HD1 PHE 34 4.813 -2.460 0.437 123 HD2 PHE 34 HD2 PHE 34 4.180 -5.985 2.736 124 HE1 PHE 34 HE1 PHE 34 3.480 -3.418 -1.396 125 HE2 PHE 34 HE2 PHE 34 2.844 -6.944 0.911 126 HZ PHE 34 HZ PHE 34 2.495 -5.663 -1.161 127 H ARG 35 H ARG 35 4.387 -4.422 5.491 128 HA ARG 35 HA ARG 35 1.969 -5.601 5.040 129 HB2 ARG 35 HB2 ARG 35 3.901 -5.959 6.801 130 HB3 ARG 35 HB3 ARG 35 2.853 -5.011 7.839 131 HG2 ARG 35 HG2 ARG 35 2.482 -7.294 8.288 132 HG3 ARG 35 HG3 ARG 35 1.061 -6.685 7.428 133 HD2 ARG 35 HD2 ARG 35 3.011 -7.621 5.563 134 HD3 ARG 35 HD3 ARG 35 2.692 -8.876 6.764 135 HE ARG 35 HE ARG 35 0.219 -7.903 5.992 136 HH11 ARG 35 HH11 ARG 35 2.925 -9.490 4.425 137 HH12 ARG 35 HH12 ARG 35 1.932 -10.328 3.272 138 HH21 ARG 35 HH22 ARG 35 -1.097 -9.014 4.497 139 HH22 ARG 35 HH21 ARG 35 -0.357 -10.068 3.323 140 H GLN 36 H GLN 36 2.582 -2.869 7.252 141 HA GLN 36 HA GLN 36 -0.189 -2.530 7.847 142 HB2 GLN 36 HB2 GLN 36 2.068 -0.563 8.277 143 HB3 GLN 36 HB3 GLN 36 0.496 -0.537 9.059 144 HG2 GLN 36 HG2 GLN 36 1.053 -2.725 10.108 145 HG3 GLN 36 HG3 GLN 36 2.677 -2.571 9.438 146 HE21 GLN 36 HE22 GLN 36 0.765 0.108 10.617 147 HE22 GLN 36 HE21 GLN 36 1.763 0.464 11.989 148 H LEU 37 H LEU 37 2.108 -0.923 5.716 149 HA LEU 37 HA LEU 37 0.461 1.283 5.138 150 HB2 LEU 37 HB2 LEU 37 2.813 0.127 3.647 151 HB3 LEU 37 HB3 LEU 37 2.043 1.650 3.235 152 HG LEU 37 HG LEU 37 3.523 0.987 5.777 153 HD11 LEU 37 HD11 LEU 37 4.989 1.421 3.921 154 HD12 LEU 37 HD12 LEU 37 5.016 2.796 5.027 155 HD13 LEU 37 HD13 LEU 37 4.102 2.896 3.522 156 HD21 LEU 37 HD21 LEU 37 3.127 3.371 6.362 157 HD22 LEU 37 HD22 LEU 37 1.674 2.374 6.386 158 HD23 LEU 37 HD23 LEU 37 1.975 3.460 5.029 159 H THR 38 H THR 38 0.512 -1.944 3.882 160 HA THR 38 HA THR 38 -1.234 -1.126 1.684 161 HB THR 38 HB THR 38 -1.094 -3.605 1.064 162 HG1 THR 38 HG1 THR 38 1.168 -3.437 2.793 163 HG21 THR 38 HG21 THR 38 1.227 -1.707 0.888 164 HG22 THR 38 HG22 THR 38 -0.016 -2.027 -0.312 165 HG23 THR 38 HG23 THR 38 1.197 -3.252 0.046 166 H GLU 39 H GLU 39 -1.362 -2.719 4.811 167 HA GLU 39 HA GLU 39 -3.957 -3.878 4.106 168 HB2 GLU 39 HB2 GLU 39 -2.244 -4.348 6.545 169 HB3 GLU 39 HB3 GLU 39 -3.770 -5.156 6.202 170 HG2 GLU 39 HG2 GLU 39 -2.725 -5.952 4.052 171 HG3 GLU 39 HG3 GLU 39 -1.192 -5.354 4.675 172 H GLU 40 H GLU 40 -2.696 -1.190 5.789 173 HA GLU 40 HA GLU 40 -5.198 -0.776 7.236 174 HB2 GLU 40 HB2 GLU 40 -2.669 0.869 7.062 175 HB3 GLU 40 HB3 GLU 40 -4.095 1.369 7.959 176 HG2 GLU 40 HG2 GLU 40 -3.900 -0.695 9.318 177 HG3 GLU 40 HG3 GLU 40 -2.392 -1.056 8.479 178 H LEU 41 H LEU 41 -4.432 -0.643 4.182 179 HA LEU 41 HA LEU 41 -5.725 1.915 3.571 180 HB2 LEU 41 HB2 LEU 41 -3.641 1.631 2.436 181 HB3 LEU 41 HB3 LEU 41 -4.065 0.015 1.917 182 HG LEU 41 HG LEU 41 -5.701 0.896 0.357 183 HD11 LEU 41 HD11 LEU 41 -6.543 2.795 1.499 184 HD12 LEU 41 HD12 LEU 41 -5.806 3.373 -0.003 185 HD13 LEU 41 HD13 LEU 41 -4.951 3.564 1.529 186 HD21 LEU 41 HD21 LEU 41 -3.502 0.672 -0.516 187 HD22 LEU 41 HD22 LEU 41 -2.989 2.184 0.230 188 HD23 LEU 41 HD23 LEU 41 -4.142 2.208 -1.103 189 H ARG 42 H ARG 42 -7.547 2.000 2.238 190 HA ARG 42 HA ARG 42 -9.041 -0.517 2.086 191 HB2 ARG 42 HB2 ARG 42 -9.744 2.007 3.114 192 HB3 ARG 42 HB3 ARG 42 -10.651 1.828 1.622 193 HG2 ARG 42 HG2 ARG 42 -11.178 -0.551 2.696 194 HG3 ARG 42 HG3 ARG 42 -10.881 0.364 4.179 195 HD2 ARG 42 HD2 ARG 42 -12.470 2.102 3.257 196 HD3 ARG 42 HD3 ARG 42 -12.905 0.924 2.028 197 HE ARG 42 HE ARG 42 -13.191 0.235 4.872 198 HH11 ARG 42 HH11 ARG 42 -14.577 0.815 1.721 199 HH12 ARG 42 HH12 ARG 42 -16.177 0.318 2.171 200 HH21 ARG 42 HH22 ARG 42 -15.307 -0.435 5.497 201 HH22 ARG 42 HH21 ARG 42 -16.586 -0.392 4.323 202 H CYS 43 H CYS 43 -10.018 -1.124 0.171 203 HA CYS 43 HA CYS 43 -9.814 0.710 -2.107 204 HB2 CYS 43 HB2 CYS 43 -9.289 -1.183 -3.587 205 HB3 CYS 43 HB3 CYS 43 -8.045 -0.995 -2.356 206 HG CYS 43 HG CYS 43 -8.235 -3.351 -1.327 207 HA PRO 44 HA PRO 44 -14.144 -0.194 -2.410 208 HB2 PRO 44 HB3 PRO 44 -14.058 0.544 -5.233 209 HB3 PRO 44 HB2 PRO 44 -14.796 1.406 -3.875 210 HG2 PRO 44 HG2 PRO 44 -12.597 2.322 -5.162 211 HG3 PRO 44 HG3 PRO 44 -12.892 2.616 -3.439 212 HD2 PRO 44 HD2 PRO 44 -11.107 0.584 -4.735 213 HD3 PRO 44 HD3 PRO 44 -10.800 1.611 -3.317 214 H LYS 45 H LYS 45 -13.245 -2.544 -2.327 215 HA LYS 45 HA LYS 45 -14.181 -3.924 -4.752 216 HB2 LYS 45 HB2 LYS 45 -11.763 -4.036 -4.775 217 HB3 LYS 45 HB3 LYS 45 -11.722 -4.561 -3.101 218 HG2 LYS 45 HG2 LYS 45 -12.791 -6.657 -3.734 219 HG3 LYS 45 HG3 LYS 45 -12.838 -6.133 -5.408 220 HD2 LYS 45 HD2 LYS 45 -10.439 -6.105 -5.527 221 HD3 LYS 45 HD3 LYS 45 -10.318 -6.460 -3.798 222 HE2 LYS 45 HE2 LYS 45 -11.328 -8.613 -4.114 223 HE3 LYS 45 HE3 LYS 45 -11.644 -8.261 -5.816 224 HZ1 LYS 45 HZ1 LYS 45 -9.737 -9.628 -5.725 225 HZ2 LYS 45 HZ2 LYS 45 -9.016 -8.682 -4.522 226 HZ3 LYS 45 HZ3 LYS 45 -9.179 -8.072 -6.090 227 H CYS 46 H CYS 46 -14.775 -3.340 -1.604 228 HA CYS 46 HA CYS 46 -15.940 -4.326 0.081 229 HB2 CYS 46 HB2 CYS 46 -16.480 -6.650 -1.772 230 HB3 CYS 46 HB3 CYS 46 -17.394 -6.186 -0.342 231 HG CYS 46 HG CYS 46 -18.912 -4.375 -1.434 232 H GLN 47 H GLN 47 -14.230 -6.887 -1.702 233 HA GLN 47 HA GLN 47 -13.076 -7.764 0.854 234 HB2 GLN 47 HB2 GLN 47 -13.187 -9.326 -1.723 235 HB3 GLN 47 HB3 GLN 47 -12.763 -9.928 -0.125 236 HG2 GLN 47 HG2 GLN 47 -15.122 -9.278 0.571 237 HG3 GLN 47 HG3 GLN 47 -15.453 -9.093 -1.147 238 HE21 GLN 47 HE22 GLN 47 -16.540 -10.993 0.814 239 HE22 GLN 47 HE21 GLN 47 -16.240 -12.561 0.138 240 H ASN 48 H ASN 48 -10.811 -8.716 0.580 241 HA ASN 48 HA ASN 48 -8.609 -8.349 0.134 242 HB2 ASN 48 HB2 ASN 48 -9.838 -7.935 -2.574 243 HB3 ASN 48 HB3 ASN 48 -8.105 -7.717 -2.331 244 HD21 ASN 48 HD22 ASN 48 -7.768 -9.786 -0.388 245 HD22 ASN 48 HD21 ASN 48 -7.969 -11.303 -1.213 246 H ASN 49 H ASN 49 -10.040 -6.200 1.280 247 HA ASN 49 HA ASN 49 -9.590 -3.701 0.118 248 HB2 ASN 49 HB2 ASN 49 -9.907 -4.630 2.952 249 HB3 ASN 49 HB3 ASN 49 -9.477 -2.955 2.623 250 HD21 ASN 49 HD22 ASN 49 -11.476 -4.690 0.384 251 HD22 ASN 49 HD21 ASN 49 -12.956 -3.890 0.780 252 H SER 50 H SER 50 -7.600 -5.589 2.329 253 HA SER 50 HA SER 50 -5.387 -3.814 2.323 254 HB2 SER 50 HB2 SER 50 -5.361 -6.796 2.835 255 HB3 SER 50 HB3 SER 50 -4.223 -5.592 3.444 256 HG SER 50 HG SER 50 -5.933 -4.699 4.671 257 H ILE 51 H ILE 51 -4.331 -3.325 0.493 258 HA ILE 51 HA ILE 51 -4.326 -5.059 -1.789 259 HB ILE 51 HB ILE 51 -2.818 -3.369 -2.822 260 HG12 ILE 51 HG12 ILE 51 -3.208 -1.790 -0.278 261 HG13 ILE 51 HG13 ILE 51 -1.747 -2.706 -0.632 262 HG21 ILE 51 HG21 ILE 51 -5.068 -2.979 -3.269 263 HG22 ILE 51 HG22 ILE 51 -4.507 -1.435 -2.624 264 HG23 ILE 51 HG23 ILE 51 -5.421 -2.540 -1.598 265 HD11 ILE 51 HD11 ILE 51 -2.832 -0.462 -2.310 266 HD12 ILE 51 HD12 ILE 51 -1.324 -1.336 -2.574 267 HD13 ILE 51 HD13 ILE 51 -1.519 -0.324 -1.141 268 H ALA 52 H ALA 52 -2.747 -5.495 0.937 269 HA ALA 52 HA ALA 52 -0.023 -5.679 0.367 270 HB1 ALA 52 HB1 ALA 52 -1.594 -7.422 2.256 271 HB2 ALA 52 HB2 ALA 52 -0.977 -5.813 2.631 272 HB3 ALA 52 HB3 ALA 52 0.145 -7.132 2.289 273 H ASP 53 H ASP 53 -2.619 -8.031 -0.083 274 HA ASP 53 HA ASP 53 -0.915 -9.366 -2.030 275 HB2 ASP 53 HB2 ASP 53 -0.686 -10.563 0.192 276 HB3 ASP 53 HB3 ASP 53 -2.390 -10.991 0.046 277 H SER 54 H SER 54 -2.857 -7.718 -2.744 278 HA SER 54 HA SER 54 -5.253 -9.242 -3.318 279 HB2 SER 54 HB2 SER 54 -4.437 -6.574 -4.491 280 HB3 SER 54 HB3 SER 54 -6.062 -7.251 -4.381 281 HG SER 54 HG SER 54 -6.208 -6.498 -2.423 282 H ASN 55 H ASN 55 -2.177 -8.666 -4.659 283 HA ASN 55 HA ASN 55 -1.069 -9.424 -6.471 284 HB2 ASN 55 HB2 ASN 55 -3.420 -11.305 -6.595 285 HB3 ASN 55 HB3 ASN 55 -2.018 -11.436 -7.655 286 HD21 ASN 55 HD22 ASN 55 -3.255 -11.930 -4.475 287 HD22 ASN 55 HD21 ASN 55 -1.850 -12.703 -3.816 288 H SER 56 H SER 56 -3.680 -7.609 -6.723 289 HA SER 56 HA SER 56 -4.236 -7.683 -9.510 290 HB2 SER 56 HB2 SER 56 -5.878 -6.723 -8.030 291 HB3 SER 56 HB3 SER 56 -4.713 -5.549 -7.419 292 HG SER 56 HG SER 56 -6.341 -4.964 -9.193 293 H MET 57 H MET 57 -3.363 -6.578 -11.143 294 HA MET 57 HA MET 57 -0.732 -5.735 -11.164 295 HB2 MET 57 HB2 MET 57 -2.625 -4.401 -13.035 296 HB3 MET 57 HB3 MET 57 -1.070 -5.144 -13.365 297 HG2 MET 57 HG2 MET 57 -2.099 -6.935 -14.120 298 HG3 MET 57 HG3 MET 57 -2.822 -7.183 -12.532 299 HE1 MET 57 HE1 MET 57 -6.186 -5.245 -12.809 300 HE2 MET 57 HE2 MET 57 -4.662 -4.991 -11.952 301 HE3 MET 57 HE3 MET 57 -5.420 -6.586 -11.958 302 H ILE 58 H ILE 58 -3.687 -3.884 -10.731 303 HA ILE 58 HA ILE 58 -2.285 -1.373 -10.653 304 HB ILE 58 HB ILE 58 -4.283 -0.419 -10.998 305 HG12 ILE 58 HG12 ILE 58 -6.405 -1.307 -9.717 306 HG13 ILE 58 HG13 ILE 58 -5.204 -2.055 -8.670 307 HG21 ILE 58 HG21 ILE 58 -5.022 -3.314 -11.308 308 HG22 ILE 58 HG22 ILE 58 -4.530 -2.162 -12.554 309 HG23 ILE 58 HG23 ILE 58 -6.100 -1.991 -11.767 310 HD11 ILE 58 HD11 ILE 58 -5.699 0.851 -9.195 311 HD12 ILE 58 HD12 ILE 58 -4.171 0.273 -8.527 312 HD13 ILE 58 HD13 ILE 58 -5.682 -0.013 -7.656 313 H ALA 59 H ALA 59 -3.569 -3.693 -8.356 314 HA ALA 59 HA ALA 59 -3.304 -2.212 -5.978 315 HB1 ALA 59 HB1 ALA 59 -4.372 -4.408 -6.043 316 HB2 ALA 59 HB2 ALA 59 -3.063 -4.384 -4.862 317 HB3 ALA 59 HB3 ALA 59 -2.824 -5.160 -6.426 318 H THR 60 H THR 60 -1.002 -4.035 -7.914 319 HA THR 60 HA THR 60 1.263 -3.705 -6.275 320 HB THR 60 HB THR 60 1.084 -4.066 -9.270 321 HG1 THR 60 HG1 THR 60 0.803 -6.136 -8.823 322 HG21 THR 60 HG21 THR 60 3.268 -3.208 -8.500 323 HG22 THR 60 HG22 THR 60 3.373 -4.843 -9.154 324 HG23 THR 60 HG23 THR 60 3.406 -4.587 -7.408 325 H ASP 61 H ASP 61 -0.005 -1.776 -8.963 326 HA ASP 61 HA ASP 61 1.960 0.144 -9.224 327 HB2 ASP 61 HB2 ASP 61 -0.277 -0.106 -10.520 328 HB3 ASP 61 HB3 ASP 61 -0.957 0.888 -9.242 329 H LEU 62 H LEU 62 -0.813 0.156 -7.036 330 HA LEU 62 HA LEU 62 -0.238 2.570 -5.702 331 HB2 LEU 62 HB2 LEU 62 -1.619 0.147 -4.544 332 HB3 LEU 62 HB3 LEU 62 -1.815 1.809 -4.037 333 HG LEU 62 HG LEU 62 -2.748 0.619 -6.650 334 HD11 LEU 62 HD11 LEU 62 -4.018 0.008 -4.600 335 HD12 LEU 62 HD12 LEU 62 -4.955 0.917 -5.785 336 HD13 LEU 62 HD13 LEU 62 -4.336 1.723 -4.343 337 HD21 LEU 62 HD21 LEU 62 -3.764 2.784 -7.081 338 HD22 LEU 62 HD22 LEU 62 -2.015 2.943 -6.919 339 HD23 LEU 62 HD23 LEU 62 -3.072 3.425 -5.591 340 H ARG 63 H ARG 63 0.732 -0.763 -5.100 341 HA ARG 63 HA ARG 63 1.943 -0.290 -2.589 342 HB2 ARG 63 HB2 ARG 63 2.306 -2.502 -4.603 343 HB3 ARG 63 HB3 ARG 63 3.098 -2.485 -3.031 344 HG2 ARG 63 HG2 ARG 63 0.871 -2.356 -1.962 345 HG3 ARG 63 HG3 ARG 63 0.138 -2.521 -3.559 346 HD2 ARG 63 HD2 ARG 63 2.067 -4.513 -2.405 347 HD3 ARG 63 HD3 ARG 63 0.322 -4.623 -2.195 348 HE ARG 63 HE ARG 63 1.031 -4.362 -4.946 349 HH11 ARG 63 HH11 ARG 63 0.841 -6.674 -2.333 350 HH12 ARG 63 HH12 ARG 63 0.755 -8.056 -3.384 351 HH21 ARG 63 HH22 ARG 63 0.919 -6.189 -6.351 352 HH22 ARG 63 HH21 ARG 63 0.824 -7.783 -5.657 353 H GLN 64 H GLN 64 3.072 0.034 -5.879 354 HA GLN 64 HA GLN 64 5.822 0.296 -5.333 355 HB2 GLN 64 HB2 GLN 64 4.223 1.743 -7.442 356 HB3 GLN 64 HB3 GLN 64 5.966 1.545 -7.426 357 HG2 GLN 64 HG2 GLN 64 5.660 -0.892 -7.623 358 HG3 GLN 64 HG3 GLN 64 3.918 -0.638 -7.729 359 HE21 GLN 64 HE22 GLN 64 6.286 1.497 -9.142 360 HE22 GLN 64 HE21 GLN 64 5.907 1.143 -10.793 361 H LYS 65 H LYS 65 3.164 2.626 -5.316 362 HA LYS 65 HA LYS 65 4.684 4.897 -4.685 363 HB2 LYS 65 HB2 LYS 65 2.308 4.916 -5.414 364 HB3 LYS 65 HB3 LYS 65 1.849 4.329 -3.825 365 HG2 LYS 65 HG2 LYS 65 1.489 6.578 -3.565 366 HG3 LYS 65 HG3 LYS 65 3.155 6.451 -3.003 367 HD2 LYS 65 HD2 LYS 65 2.641 6.982 -5.895 368 HD3 LYS 65 HD3 LYS 65 2.464 8.299 -4.737 369 HE2 LYS 65 HE2 LYS 65 4.694 8.321 -4.211 370 HE3 LYS 65 HE3 LYS 65 4.927 6.635 -4.654 371 HZ1 LYS 65 HZ1 LYS 65 4.741 7.251 -6.983 372 HZ2 LYS 65 HZ2 LYS 65 5.973 8.149 -6.245 373 HZ3 LYS 65 HZ3 LYS 65 4.475 8.866 -6.562 374 H VAL 66 H VAL 66 2.953 2.592 -2.641 375 HA VAL 66 HA VAL 66 3.600 3.520 -0.118 376 HB VAL 66 HB VAL 66 3.328 0.665 -1.078 377 HG11 VAL 66 HG11 VAL 66 4.603 0.972 1.079 378 HG12 VAL 66 HG12 VAL 66 3.159 -0.037 1.161 379 HG13 VAL 66 HG13 VAL 66 3.111 1.622 1.759 380 HG21 VAL 66 HG21 VAL 66 1.081 0.839 -0.129 381 HG22 VAL 66 HG22 VAL 66 1.338 2.039 -1.396 382 HG23 VAL 66 HG23 VAL 66 1.391 2.521 0.299 383 H TYR 67 H TYR 67 5.544 1.499 -2.289 384 HA TYR 67 HA TYR 67 7.676 1.079 -0.476 385 HB2 TYR 67 HB2 TYR 67 7.247 -0.288 -2.514 386 HB3 TYR 67 HB3 TYR 67 7.747 1.079 -3.501 387 HD1 TYR 67 HD1 TYR 67 8.943 -1.343 -0.959 388 HD2 TYR 67 HD2 TYR 67 10.021 1.444 -3.986 389 HE1 TYR 67 HE1 TYR 67 11.265 -2.142 -0.861 390 HE2 TYR 67 HE2 TYR 67 12.347 0.656 -3.893 391 HH TYR 67 HH TYR 67 13.842 -0.473 -2.304 392 H GLU 68 H GLU 68 7.221 3.442 -3.108 393 HA GLU 68 HA GLU 68 9.687 4.755 -2.793 394 HB2 GLU 68 HB2 GLU 68 7.099 5.938 -3.801 395 HB3 GLU 68 HB3 GLU 68 8.725 6.522 -4.137 396 HG2 GLU 68 HG2 GLU 68 9.211 4.403 -5.292 397 HG3 GLU 68 HG3 GLU 68 7.547 3.899 -5.018 398 H LEU 69 H LEU 69 6.527 5.329 -1.323 399 HA LEU 69 HA LEU 69 7.152 7.807 -0.134 400 HB2 LEU 69 HB2 LEU 69 5.107 5.718 0.577 401 HB3 LEU 69 HB3 LEU 69 5.191 7.287 1.344 402 HG LEU 69 HG LEU 69 4.645 6.774 -1.582 403 HD11 LEU 69 HD11 LEU 69 2.857 6.314 0.215 404 HD12 LEU 69 HD12 LEU 69 2.428 7.315 -1.166 405 HD13 LEU 69 HD13 LEU 69 2.800 8.064 0.386 406 HD21 LEU 69 HD21 LEU 69 4.531 9.061 -1.937 407 HD22 LEU 69 HD22 LEU 69 5.934 8.915 -0.880 408 HD23 LEU 69 HD23 LEU 69 4.383 9.422 -0.218 409 H MET 70 H MET 70 7.669 4.498 0.910 410 HA MET 70 HA MET 70 8.294 4.929 3.604 411 HB2 MET 70 HB2 MET 70 9.588 2.977 1.688 412 HB3 MET 70 HB3 MET 70 9.728 2.915 3.436 413 HG2 MET 70 HG2 MET 70 7.326 2.513 3.608 414 HG3 MET 70 HG3 MET 70 7.197 2.571 1.849 415 HE1 MET 70 HE1 MET 70 6.696 -1.192 2.212 416 HE2 MET 70 HE2 MET 70 6.128 0.337 1.542 417 HE3 MET 70 HE3 MET 70 6.034 0.045 3.279 418 H GLN 71 H GLN 71 10.351 5.036 0.734 419 HA GLN 71 HA GLN 71 12.669 5.777 2.274 420 HB2 GLN 71 HB2 GLN 71 13.671 5.979 -0.102 421 HB3 GLN 71 HB3 GLN 71 13.232 4.390 0.509 422 HG2 GLN 71 HG2 GLN 71 11.167 4.447 -0.745 423 HG3 GLN 71 HG3 GLN 71 11.531 6.076 -1.308 424 HE21 GLN 71 HE22 GLN 71 11.060 3.612 -2.802 425 HE22 GLN 71 HE21 GLN 71 12.462 3.390 -3.795 426 H GLU 72 H GLU 72 10.156 7.454 0.583 427 HA GLU 72 HA GLU 72 11.528 9.926 0.287 428 HB2 GLU 72 HB2 GLU 72 8.584 9.327 0.595 429 HB3 GLU 72 HB3 GLU 72 9.216 10.945 0.332 430 HG2 GLU 72 HG2 GLU 72 10.293 10.016 -1.768 431 HG3 GLU 72 HG3 GLU 72 9.273 8.599 -1.524 432 H GLY 73 H GLY 73 9.838 8.354 2.908 433 HA2 GLY 73 HA2 GLY 73 10.573 8.801 5.163 434 HA3 GLY 73 HA3 GLY 73 10.837 10.476 4.691 435 H LYS 74 H LYS 74 8.012 8.771 3.629 436 HA LYS 74 HA LYS 74 6.296 10.713 4.843 437 HB2 LYS 74 HB2 LYS 74 5.432 8.083 3.653 438 HB3 LYS 74 HB3 LYS 74 4.505 9.566 3.783 439 HG2 LYS 74 HG2 LYS 74 6.991 9.423 2.112 440 HG3 LYS 74 HG3 LYS 74 5.413 8.942 1.491 441 HD2 LYS 74 HD2 LYS 74 4.549 11.078 1.676 442 HD3 LYS 74 HD3 LYS 74 5.808 11.610 2.794 443 HE2 LYS 74 HE2 LYS 74 7.429 11.306 0.898 444 HE3 LYS 74 HE3 LYS 74 6.036 11.066 -0.156 445 HZ1 LYS 74 HZ1 LYS 74 6.690 13.499 1.410 446 HZ2 LYS 74 HZ2 LYS 74 5.224 13.270 0.589 447 HZ3 LYS 74 HZ3 LYS 74 6.678 13.339 -0.276 448 H SER 75 H SER 75 4.599 10.204 6.338 449 HA SER 75 HA SER 75 5.411 8.329 8.409 450 HB2 SER 75 HB2 SER 75 3.010 10.176 8.365 451 HB3 SER 75 HB3 SER 75 3.726 9.394 9.774 452 HG SER 75 HG SER 75 5.473 10.952 8.304 453 H LYS 76 H LYS 76 3.653 6.885 9.349 454 HA LYS 76 HA LYS 76 2.822 5.062 7.445 455 HB2 LYS 76 HB2 LYS 76 2.133 5.551 10.275 456 HB3 LYS 76 HB3 LYS 76 1.026 4.534 9.366 457 HG2 LYS 76 HG2 LYS 76 2.668 3.185 10.509 458 HG3 LYS 76 HG3 LYS 76 2.869 3.049 8.770 459 HD2 LYS 76 HD2 LYS 76 4.492 5.092 10.184 460 HD3 LYS 76 HD3 LYS 76 4.921 3.401 10.431 461 HE2 LYS 76 HE2 LYS 76 5.052 3.126 7.976 462 HE3 LYS 76 HE3 LYS 76 4.722 4.846 7.787 463 HZ1 LYS 76 HZ1 LYS 76 7.135 4.109 7.729 464 HZ2 LYS 76 HZ2 LYS 76 7.004 3.872 9.402 465 HZ3 LYS 76 HZ3 LYS 76 6.763 5.417 8.743 466 H LYS 77 H LYS 77 0.669 7.379 9.112 467 HA LYS 77 HA LYS 77 -1.529 6.872 7.369 468 HB2 LYS 77 HB2 LYS 77 -1.074 9.399 8.952 469 HB3 LYS 77 HB3 LYS 77 -2.608 8.714 8.429 470 HG2 LYS 77 HG2 LYS 77 -0.733 7.613 10.487 471 HG3 LYS 77 HG3 LYS 77 -2.332 8.311 10.770 472 HD2 LYS 77 HD2 LYS 77 -3.305 6.476 9.393 473 HD3 LYS 77 HD3 LYS 77 -1.695 5.761 9.288 474 HE2 LYS 77 HE2 LYS 77 -2.894 4.648 11.034 475 HE3 LYS 77 HE3 LYS 77 -1.648 5.653 11.770 476 HZ1 LYS 77 HZ1 LYS 77 -4.564 5.979 11.804 477 HZ2 LYS 77 HZ2 LYS 77 -3.596 7.373 11.872 478 HZ3 LYS 77 HZ3 LYS 77 -3.436 6.177 13.057 479 H GLU 78 H GLU 78 1.144 9.102 7.325 480 HA GLU 78 HA GLU 78 0.243 10.808 5.286 481 HB2 GLU 78 HB2 GLU 78 2.170 11.385 6.626 482 HB3 GLU 78 HB3 GLU 78 3.057 9.994 6.026 483 HG2 GLU 78 HG2 GLU 78 3.870 11.969 4.951 484 HG3 GLU 78 HG3 GLU 78 3.018 10.979 3.766 485 H ILE 79 H ILE 79 1.905 7.657 5.082 486 HA ILE 79 HA ILE 79 2.265 7.668 2.295 487 HB ILE 79 HB ILE 79 2.056 5.454 4.304 488 HG12 ILE 79 HG12 ILE 79 4.211 4.976 2.679 489 HG13 ILE 79 HG13 ILE 79 4.115 6.730 2.639 490 HG21 ILE 79 HG21 ILE 79 0.820 4.996 1.997 491 HG22 ILE 79 HG22 ILE 79 1.786 3.757 2.803 492 HG23 ILE 79 HG23 ILE 79 2.475 4.681 1.467 493 HD11 ILE 79 HD11 ILE 79 4.226 5.110 5.169 494 HD12 ILE 79 HD12 ILE 79 4.389 6.858 5.008 495 HD13 ILE 79 HD13 ILE 79 5.638 5.794 4.366 496 H VAL 80 H VAL 80 -0.428 6.349 4.239 497 HA VAL 80 HA VAL 80 -1.939 5.589 1.957 498 HB VAL 80 HB VAL 80 -2.415 4.387 3.932 499 HG11 VAL 80 HG11 VAL 80 -3.065 6.996 5.268 500 HG12 VAL 80 HG12 VAL 80 -1.665 5.977 5.593 501 HG13 VAL 80 HG13 VAL 80 -3.286 5.399 5.981 502 HG21 VAL 80 HG21 VAL 80 -4.354 4.777 2.544 503 HG22 VAL 80 HG22 VAL 80 -4.678 6.276 3.413 504 HG23 VAL 80 HG23 VAL 80 -4.820 4.729 4.247 505 H ASP 81 H ASP 81 -1.852 8.480 3.944 506 HA ASP 81 HA ASP 81 -4.102 9.743 2.762 507 HB2 ASP 81 HB2 ASP 81 -3.193 10.521 4.882 508 HB3 ASP 81 HB3 ASP 81 -1.667 10.920 4.112 509 H TYR 82 H TYR 82 -0.699 9.566 1.945 510 HA TYR 82 HA TYR 82 -0.685 11.389 -0.205 511 HB2 TYR 82 HB2 TYR 82 1.326 10.135 0.884 512 HB3 TYR 82 HB3 TYR 82 0.894 8.823 -0.198 513 HD1 TYR 82 HD2 TYR 82 1.154 9.038 -2.615 514 HD2 TYR 82 HD1 TYR 82 2.328 12.171 0.015 515 HE1 TYR 82 HE2 TYR 82 2.437 10.076 -4.435 516 HE2 TYR 82 HE1 TYR 82 3.613 13.220 -1.801 517 HH TYR 82 HH TYR 82 4.704 12.520 -3.932 518 H MET 83 H MET 83 -1.329 7.959 0.056 519 HA MET 83 HA MET 83 -1.843 7.352 -2.610 520 HB2 MET 83 HB2 MET 83 -3.136 6.168 -0.147 521 HB3 MET 83 HB3 MET 83 -3.112 5.437 -1.746 522 HG2 MET 83 HG2 MET 83 -0.707 6.010 -0.038 523 HG3 MET 83 HG3 MET 83 -1.474 4.442 -0.252 524 HE1 MET 83 HE1 MET 83 -0.877 3.872 -4.116 525 HE2 MET 83 HE2 MET 83 -2.249 4.699 -3.384 526 HE3 MET 83 HE3 MET 83 -1.625 3.219 -2.657 527 H VAL 84 H VAL 84 -4.161 8.210 -0.032 528 HA VAL 84 HA VAL 84 -6.372 8.237 -1.796 529 HB VAL 84 HB VAL 84 -7.624 9.438 -0.045 530 HG11 VAL 84 HG11 VAL 84 -5.942 7.235 1.114 531 HG12 VAL 84 HG12 VAL 84 -7.262 6.977 -0.025 532 HG13 VAL 84 HG13 VAL 84 -7.589 7.678 1.560 533 HG21 VAL 84 HG21 VAL 84 -6.633 10.031 2.052 534 HG22 VAL 84 HG22 VAL 84 -5.733 10.837 0.774 535 HG23 VAL 84 HG23 VAL 84 -5.065 9.403 1.545 536 H ALA 85 H ALA 85 -4.025 10.682 -1.001 537 HA ALA 85 HA ALA 85 -5.485 12.876 -2.072 538 HB1 ALA 85 HB1 ALA 85 -3.162 13.938 -2.130 539 HB2 ALA 85 HB2 ALA 85 -2.591 12.435 -1.399 540 HB3 ALA 85 HB3 ALA 85 -3.784 13.431 -0.560 541 H ARG 86 H ARG 86 -2.857 10.848 -3.410 542 HA ARG 86 HA ARG 86 -3.118 12.235 -5.969 543 HB2 ARG 86 HB2 ARG 86 -1.107 10.328 -4.829 544 HB3 ARG 86 HB3 ARG 86 -1.142 10.651 -6.557 545 HG2 ARG 86 HG2 ARG 86 0.498 12.068 -5.626 546 HG3 ARG 86 HG3 ARG 86 -0.897 13.092 -5.970 547 HD2 ARG 86 HD2 ARG 86 -1.584 12.933 -3.634 548 HD3 ARG 86 HD3 ARG 86 -0.193 11.916 -3.288 549 HE ARG 86 HE ARG 86 1.224 13.785 -3.565 550 HH11 ARG 86 HH11 ARG 86 -2.157 14.633 -3.926 551 HH12 ARG 86 HH12 ARG 86 -1.908 16.304 -3.527 552 HH21 ARG 86 HH22 ARG 86 1.550 15.966 -3.018 553 HH22 ARG 86 HH21 ARG 86 0.198 17.058 -3.013 554 H TYR 87 H TYR 87 -3.603 9.041 -4.600 555 HA TYR 87 HA TYR 87 -4.554 8.027 -7.197 556 HB2 TYR 87 HB2 TYR 87 -3.556 6.582 -4.744 557 HB3 TYR 87 HB3 TYR 87 -4.261 5.776 -6.136 558 HD1 TYR 87 HD1 TYR 87 -1.368 7.735 -4.945 559 HD2 TYR 87 HD2 TYR 87 -2.986 5.403 -8.114 560 HE1 TYR 87 HE1 TYR 87 0.865 7.594 -5.973 561 HE2 TYR 87 HE2 TYR 87 -0.764 5.262 -9.155 562 HH TYR 87 HH TYR 87 1.344 6.151 -9.149 563 H GLY 88 H GLY 88 -6.117 9.708 -5.378 564 HA2 GLY 88 HA2 GLY 88 -7.769 8.146 -3.702 565 HA3 GLY 88 HA3 GLY 88 -8.104 9.786 -4.234 566 H ASN 89 H ASN 89 -7.879 8.653 -7.110 567 HA ASN 89 HA ASN 89 -10.659 8.043 -7.410 568 HB2 ASN 89 HB2 ASN 89 -8.376 7.927 -9.387 569 HB3 ASN 89 HB3 ASN 89 -10.057 7.631 -9.813 570 HD21 ASN 89 HD22 ASN 89 -8.307 9.665 -10.835 571 HD22 ASN 89 HD21 ASN 89 -9.038 11.184 -10.458 572 H PHE 90 H PHE 90 -8.011 6.226 -6.532 573 HA PHE 90 HA PHE 90 -9.319 3.726 -7.387 574 HB2 PHE 90 HB2 PHE 90 -6.362 4.195 -6.938 575 HB3 PHE 90 HB3 PHE 90 -7.100 2.665 -7.391 576 HD1 PHE 90 HD2 PHE 90 -8.235 2.488 -9.630 577 HD2 PHE 90 HD1 PHE 90 -5.769 5.783 -8.542 578 HE1 PHE 90 HE2 PHE 90 -7.967 3.068 -12.006 579 HE2 PHE 90 HE1 PHE 90 -5.498 6.369 -10.914 580 HZ PHE 90 HZ PHE 90 -6.596 5.012 -12.650 581 H VAL 91 H VAL 91 -7.510 5.357 -4.824 582 HA VAL 91 HA VAL 91 -7.895 3.028 -3.078 583 HB VAL 91 HB VAL 91 -5.984 3.582 -1.960 584 HG11 VAL 91 HG11 VAL 91 -5.395 5.190 -4.439 585 HG12 VAL 91 HG12 VAL 91 -5.494 3.418 -4.427 586 HG13 VAL 91 HG13 VAL 91 -4.270 4.238 -3.453 587 HG21 VAL 91 HG21 VAL 91 -6.733 5.677 -1.053 588 HG22 VAL 91 HG22 VAL 91 -6.513 6.473 -2.609 589 HG23 VAL 91 HG23 VAL 91 -5.110 5.891 -1.712 590 H THR 92 H THR 92 -8.223 3.606 -0.689 591 HA THR 92 HA THR 92 -9.612 6.111 -0.202 592 HB THR 92 HB THR 92 -10.945 3.421 0.223 593 HG1 THR 92 HG1 THR 92 -11.001 5.169 -1.818 594 HG21 THR 92 HG21 THR 92 -11.373 4.984 2.087 595 HG22 THR 92 HG22 THR 92 -12.827 4.635 1.154 596 HG23 THR 92 HG23 THR 92 -11.984 6.168 0.931 597 H TYR 93 H TYR 93 -9.388 6.805 1.912 598 HA TYR 93 HA TYR 93 -7.827 5.058 3.670 599 HB2 TYR 93 HB2 TYR 93 -6.880 7.248 3.380 600 HB3 TYR 93 HB3 TYR 93 -8.416 8.028 3.723 601 HD1 TYR 93 HD1 TYR 93 -5.827 5.853 5.313 602 HD2 TYR 93 HD2 TYR 93 -8.846 8.795 5.874 603 HE1 TYR 93 HE1 TYR 93 -5.166 6.074 7.670 604 HE2 TYR 93 HE2 TYR 93 -8.194 9.020 8.232 605 HH TYR 93 HH TYR 93 -7.068 7.691 9.966 606 H ASP 94 H ASP 94 -9.138 3.723 4.686 607 HA ASP 94 HA ASP 94 -11.019 4.702 6.616 608 HB2 ASP 94 HB2 ASP 94 -11.951 3.737 4.017 609 HB3 ASP 94 HB3 ASP 94 -12.612 2.809 5.358 610 HA PRO 95 HA PRO 95 -10.045 0.645 8.390 611 HB2 PRO 95 HB3 PRO 95 -12.438 0.160 9.643 612 HB3 PRO 95 HB2 PRO 95 -11.180 1.198 10.320 613 HG2 PRO 95 HG2 PRO 95 -13.645 1.959 8.799 614 HG3 PRO 95 HG3 PRO 95 -12.963 2.696 10.263 615 HD2 PRO 95 HD2 PRO 95 -12.613 3.791 7.841 616 HD3 PRO 95 HD3 PRO 95 -11.329 3.832 9.069 617 HA PRO 96 HA PRO 96 -11.920 -1.739 5.161 618 HB2 PRO 96 HB3 PRO 96 -10.787 -4.171 6.160 619 HB3 PRO 96 HB2 PRO 96 -10.195 -3.150 4.854 620 HG2 PRO 96 HG2 PRO 96 -8.918 -3.528 7.273 621 HG3 PRO 96 HG3 PRO 96 -8.624 -2.190 6.152 622 HD2 PRO 96 HD2 PRO 96 -10.235 -2.255 8.651 623 HD3 PRO 96 HD3 PRO 96 -9.265 -0.945 7.952 624 H LEU 97 H LEU 97 -13.059 -3.982 4.987 625 HA LEU 97 HA LEU 97 -15.307 -3.943 6.732 626 HB2 LEU 97 HB2 LEU 97 -14.413 -5.869 4.601 627 HB3 LEU 97 HB3 LEU 97 -15.875 -6.119 5.530 628 HG LEU 97 HG LEU 97 -16.500 -5.168 3.437 629 HD11 LEU 97 HD11 LEU 97 -16.593 -3.019 5.545 630 HD12 LEU 97 HD12 LEU 97 -17.736 -4.351 5.366 631 HD13 LEU 97 HD13 LEU 97 -17.618 -3.116 4.114 632 HD21 LEU 97 HD21 LEU 97 -14.363 -4.210 2.785 633 HD22 LEU 97 HD22 LEU 97 -14.546 -2.944 3.999 634 HD23 LEU 97 HD23 LEU 97 -15.659 -3.024 2.633 635 H THR 98 H THR 98 -12.360 -4.831 7.441 636 HA THR 98 HA THR 98 -12.392 -7.395 8.493 637 HB THR 98 HB THR 98 -10.412 -5.780 8.187 638 HG1 THR 98 HG1 THR 98 -10.137 -6.881 10.734 639 HG21 THR 98 HG21 THR 98 -9.756 -4.442 10.094 640 HG22 THR 98 HG22 THR 98 -11.209 -4.926 10.969 641 HG23 THR 98 HG23 THR 98 -11.343 -3.929 9.521 642 HA PRO 99 HA PRO 99 -15.041 -7.125 12.087 643 HB2 PRO 99 HB3 PRO 99 -13.745 -9.004 13.634 644 HB3 PRO 99 HB2 PRO 99 -14.918 -9.388 12.369 645 HG2 PRO 99 HG2 PRO 99 -11.933 -9.430 12.263 646 HG3 PRO 99 HG3 PRO 99 -13.098 -10.564 11.556 647 HD2 PRO 99 HD2 PRO 99 -11.853 -8.695 10.078 648 HD3 PRO 99 HD3 PRO 99 -13.523 -9.194 9.745 Start of MODEL 15 1 H THR 19 H1 THR 19 15.671 -10.337 -4.672 2 HA THR 19 HA THR 19 15.037 -12.380 -3.551 3 HB THR 19 HB THR 19 14.880 -11.449 -1.267 4 HG1 THR 19 HG1 THR 19 12.738 -12.511 -0.811 5 HG21 THR 19 HG21 THR 19 12.820 -10.268 -0.586 6 HG22 THR 19 HG22 THR 19 12.324 -10.193 -2.278 7 HG23 THR 19 HG23 THR 19 13.773 -9.340 -1.744 8 H ILE 20 H ILE 20 13.410 -9.485 -4.623 9 HA ILE 20 HA ILE 20 11.613 -11.128 -6.177 10 HB ILE 20 HB ILE 20 10.412 -10.889 -4.050 11 HG12 ILE 20 HG12 ILE 20 9.267 -10.925 -6.360 12 HG13 ILE 20 HG13 ILE 20 8.303 -10.488 -4.960 13 HG21 ILE 20 HG21 ILE 20 10.408 -7.935 -4.608 14 HG22 ILE 20 HG22 ILE 20 11.270 -8.750 -3.304 15 HG23 ILE 20 HG23 ILE 20 9.507 -8.744 -3.327 16 HD11 ILE 20 HD11 ILE 20 7.796 -9.081 -6.869 17 HD12 ILE 20 HD12 ILE 20 9.485 -8.582 -6.964 18 HD13 ILE 20 HD13 ILE 20 8.510 -8.133 -5.564 19 H ASP 21 H ASP 21 12.241 -7.718 -5.250 20 HA ASP 21 HA ASP 21 12.330 -7.041 -8.094 21 HB2 ASP 21 HB2 ASP 21 9.961 -6.715 -6.914 22 HB3 ASP 21 HB3 ASP 21 10.726 -5.261 -6.291 23 H VAL 22 H VAL 22 12.496 -4.261 -7.795 24 HA VAL 22 HA VAL 22 15.006 -3.876 -6.433 25 HB VAL 22 HB VAL 22 14.257 -2.589 -8.495 26 HG11 VAL 22 HG11 VAL 22 11.956 -2.117 -7.564 27 HG12 VAL 22 HG12 VAL 22 12.787 -0.746 -8.302 28 HG13 VAL 22 HG13 VAL 22 12.718 -0.893 -6.546 29 HG21 VAL 22 HG21 VAL 22 16.180 -1.922 -7.133 30 HG22 VAL 22 HG22 VAL 22 15.115 -0.954 -6.113 31 HG23 VAL 22 HG23 VAL 22 15.343 -0.524 -7.809 32 H LEU 23 H LEU 23 11.785 -3.984 -5.591 33 HA LEU 23 HA LEU 23 11.786 -2.191 -3.363 34 HB2 LEU 23 HB2 LEU 23 9.897 -4.501 -3.682 35 HB3 LEU 23 HB3 LEU 23 9.598 -2.925 -2.975 36 HG LEU 23 HG LEU 23 9.878 -3.558 -5.912 37 HD11 LEU 23 HD11 LEU 23 7.543 -2.671 -4.238 38 HD12 LEU 23 HD12 LEU 23 7.746 -4.224 -5.045 39 HD13 LEU 23 HD13 LEU 23 7.542 -2.753 -5.998 40 HD21 LEU 23 HD21 LEU 23 10.861 -1.424 -5.636 41 HD22 LEU 23 HD22 LEU 23 9.616 -0.915 -4.500 42 HD23 LEU 23 HD23 LEU 23 9.214 -1.143 -6.198 43 H GLN 24 H GLN 24 13.789 -2.984 -2.439 44 HA GLN 24 HA GLN 24 13.665 -5.651 -1.276 45 HB2 GLN 24 HB2 GLN 24 15.910 -3.732 -1.805 46 HB3 GLN 24 HB3 GLN 24 16.120 -5.130 -0.755 47 HG2 GLN 24 HG2 GLN 24 15.180 -5.243 -3.608 48 HG3 GLN 24 HG3 GLN 24 16.832 -5.557 -3.067 49 HE21 GLN 24 HE22 GLN 24 16.044 -6.869 -0.629 50 HE22 GLN 24 HE21 GLN 24 15.446 -8.434 -1.072 51 H PHE 25 H PHE 25 12.872 -5.827 0.649 52 HA PHE 25 HA PHE 25 12.894 -3.670 2.551 53 HB2 PHE 25 HB2 PHE 25 12.156 -6.549 3.091 54 HB3 PHE 25 HB3 PHE 25 11.623 -5.110 3.963 55 HD1 PHE 25 HD1 PHE 25 10.289 -3.372 2.554 56 HD2 PHE 25 HD2 PHE 25 10.779 -7.463 1.476 57 HE1 PHE 25 HE1 PHE 25 8.305 -3.226 1.108 58 HE2 PHE 25 HE2 PHE 25 8.796 -7.322 0.031 59 HZ PHE 25 HZ PHE 25 7.558 -5.203 -0.159 60 H LYS 26 H LYS 26 14.379 -3.218 3.910 61 HA LYS 26 HA LYS 26 16.875 -4.308 4.078 62 HB2 LYS 26 HB2 LYS 26 16.847 -2.260 5.045 63 HB3 LYS 26 HB3 LYS 26 15.215 -2.455 5.641 64 HG2 LYS 26 HG2 LYS 26 17.046 -4.152 7.077 65 HG3 LYS 26 HG3 LYS 26 17.546 -2.457 7.130 66 HD2 LYS 26 HD2 LYS 26 14.728 -3.345 7.685 67 HD3 LYS 26 HD3 LYS 26 15.955 -3.220 8.957 68 HE2 LYS 26 HE2 LYS 26 15.005 -0.999 7.151 69 HE3 LYS 26 HE3 LYS 26 14.569 -1.213 8.843 70 HZ1 LYS 26 HZ1 LYS 26 16.323 0.433 8.565 71 HZ2 LYS 26 HZ2 LYS 26 17.326 -0.723 7.834 72 HZ3 LYS 26 HZ3 LYS 26 16.871 -0.895 9.459 73 H ASP 27 H ASP 27 13.992 -5.257 5.719 74 HA ASP 27 HA ASP 27 15.034 -7.754 6.560 75 HB2 ASP 27 HB2 ASP 27 16.070 -6.408 8.328 76 HB3 ASP 27 HB3 ASP 27 14.531 -5.640 8.684 77 H GLU 28 H GLU 28 13.226 -8.789 8.073 78 HA GLU 28 HA GLU 28 10.754 -8.722 6.849 79 HB2 GLU 28 HB2 GLU 28 10.872 -10.540 8.204 80 HB3 GLU 28 HB3 GLU 28 11.879 -9.720 9.389 81 HG2 GLU 28 HG2 GLU 28 9.857 -8.531 10.177 82 HG3 GLU 28 HG3 GLU 28 8.895 -9.541 9.100 83 H ALA 29 H ALA 29 12.094 -6.753 9.424 84 HA ALA 29 HA ALA 29 9.774 -5.499 10.344 85 HB1 ALA 29 HB1 ALA 29 11.190 -3.874 11.331 86 HB2 ALA 29 HB2 ALA 29 12.469 -4.167 10.150 87 HB3 ALA 29 HB3 ALA 29 12.084 -5.395 11.361 88 H GLN 30 H GLN 30 11.931 -4.592 7.647 89 HA GLN 30 HA GLN 30 10.559 -2.172 7.062 90 HB2 GLN 30 HB2 GLN 30 12.907 -3.007 6.162 91 HB3 GLN 30 HB3 GLN 30 11.926 -3.740 4.902 92 HG2 GLN 30 HG2 GLN 30 10.924 -1.527 4.462 93 HG3 GLN 30 HG3 GLN 30 12.054 -0.824 5.613 94 HE21 GLN 30 HE22 GLN 30 11.586 -2.038 2.444 95 HE22 GLN 30 HE21 GLN 30 13.169 -1.694 1.836 96 H GLU 31 H GLU 31 10.177 -5.501 6.207 97 HA GLU 31 HA GLU 31 8.262 -5.135 4.133 98 HB2 GLU 31 HB2 GLU 31 9.570 -7.153 4.208 99 HB3 GLU 31 HB3 GLU 31 9.017 -7.514 5.834 100 HG2 GLU 31 HG2 GLU 31 6.721 -7.775 4.924 101 HG3 GLU 31 HG3 GLU 31 7.391 -7.563 3.306 102 H GLN 32 H GLN 32 8.099 -5.628 7.622 103 HA GLN 32 HA GLN 32 5.359 -6.090 7.918 104 HB2 GLN 32 HB2 GLN 32 7.213 -4.530 9.732 105 HB3 GLN 32 HB3 GLN 32 5.644 -5.171 10.197 106 HG2 GLN 32 HG2 GLN 32 6.578 -7.454 9.635 107 HG3 GLN 32 HG3 GLN 32 8.153 -6.672 9.542 108 HE21 GLN 32 HE22 GLN 32 5.527 -7.579 11.612 109 HE22 GLN 32 HE21 GLN 32 6.360 -7.365 13.113 110 H GLN 33 H GLN 33 7.177 -3.054 7.650 111 HA GLN 33 HA GLN 33 5.024 -1.296 8.042 112 HB2 GLN 33 HB2 GLN 33 7.423 -0.599 7.948 113 HB3 GLN 33 HB3 GLN 33 7.400 -0.877 6.215 114 HG2 GLN 33 HG2 GLN 33 5.649 0.836 5.984 115 HG3 GLN 33 HG3 GLN 33 5.738 1.131 7.721 116 HE21 GLN 33 HE22 GLN 33 8.656 0.733 7.733 117 HE22 GLN 33 HE21 GLN 33 9.320 2.181 7.069 118 H PHE 34 H PHE 34 6.349 -2.781 5.129 119 HA PHE 34 HA PHE 34 4.619 -1.652 3.248 120 HB2 PHE 34 HB2 PHE 34 6.734 -3.031 2.862 121 HB3 PHE 34 HB3 PHE 34 5.732 -4.456 3.106 122 HD1 PHE 34 HD1 PHE 34 6.249 -1.505 0.947 123 HD2 PHE 34 HD2 PHE 34 4.353 -5.284 1.394 124 HE1 PHE 34 HE1 PHE 34 5.593 -1.452 -1.422 125 HE2 PHE 34 HE2 PHE 34 3.698 -5.242 -0.974 126 HZ PHE 34 HZ PHE 34 4.381 -3.329 -2.404 127 H ARG 35 H ARG 35 4.281 -4.450 5.357 128 HA ARG 35 HA ARG 35 1.851 -5.470 4.363 129 HB2 ARG 35 HB2 ARG 35 3.340 -5.603 6.928 130 HB3 ARG 35 HB3 ARG 35 1.642 -6.004 6.992 131 HG2 ARG 35 HG2 ARG 35 3.013 -7.972 6.797 132 HG3 ARG 35 HG3 ARG 35 1.985 -7.785 5.375 133 HD2 ARG 35 HD2 ARG 35 4.764 -6.734 5.388 134 HD3 ARG 35 HD3 ARG 35 4.484 -8.451 5.125 135 HE ARG 35 HE ARG 35 3.281 -6.376 3.406 136 HH11 ARG 35 HH11 ARG 35 4.922 -9.431 3.861 137 HH12 ARG 35 HH12 ARG 35 5.161 -9.708 2.155 138 HH21 ARG 35 HH22 ARG 35 3.546 -6.767 1.145 139 HH22 ARG 35 HH21 ARG 35 4.347 -8.212 0.623 140 H GLN 36 H GLN 36 2.497 -3.145 6.984 141 HA GLN 36 HA GLN 36 -0.257 -2.855 7.656 142 HB2 GLN 36 HB2 GLN 36 2.099 -1.118 8.412 143 HB3 GLN 36 HB3 GLN 36 0.514 -1.095 9.178 144 HG2 GLN 36 HG2 GLN 36 0.820 -3.402 9.904 145 HG3 GLN 36 HG3 GLN 36 2.403 -3.436 9.132 146 HE21 GLN 36 HE22 GLN 36 1.628 -3.835 11.915 147 HE22 GLN 36 HE21 GLN 36 2.536 -2.679 12.832 148 H LEU 37 H LEU 37 2.022 -0.932 5.803 149 HA LEU 37 HA LEU 37 0.417 1.347 5.499 150 HB2 LEU 37 HB2 LEU 37 2.566 0.243 3.691 151 HB3 LEU 37 HB3 LEU 37 1.864 1.844 3.540 152 HG LEU 37 HG LEU 37 3.560 0.783 5.788 153 HD11 LEU 37 HD11 LEU 37 4.927 1.456 4.009 154 HD12 LEU 37 HD12 LEU 37 4.928 2.811 5.140 155 HD13 LEU 37 HD13 LEU 37 3.941 2.882 3.679 156 HD21 LEU 37 HD21 LEU 37 3.315 3.076 6.748 157 HD22 LEU 37 HD22 LEU 37 1.873 2.060 6.842 158 HD23 LEU 37 HD23 LEU 37 1.981 3.333 5.621 159 H THR 38 H THR 38 0.249 -1.753 3.988 160 HA THR 38 HA THR 38 -1.539 -0.681 1.943 161 HB THR 38 HB THR 38 -1.438 -3.030 0.996 162 HG1 THR 38 HG1 THR 38 0.854 -3.225 2.690 163 HG21 THR 38 HG21 THR 38 0.920 -1.184 1.134 164 HG22 THR 38 HG22 THR 38 -0.265 -1.365 -0.156 165 HG23 THR 38 HG23 THR 38 0.934 -2.627 0.124 166 H GLU 39 H GLU 39 -1.766 -1.903 5.024 167 HA GLU 39 HA GLU 39 -4.122 -3.531 4.642 168 HB2 GLU 39 HB2 GLU 39 -2.900 -2.405 7.166 169 HB3 GLU 39 HB3 GLU 39 -4.279 -3.493 7.125 170 HG2 GLU 39 HG2 GLU 39 -2.817 -5.160 5.970 171 HG3 GLU 39 HG3 GLU 39 -1.458 -4.082 6.282 172 H GLU 40 H GLU 40 -3.425 -0.248 5.747 173 HA GLU 40 HA GLU 40 -6.212 0.281 6.280 174 HB2 GLU 40 HB2 GLU 40 -3.765 2.045 6.356 175 HB3 GLU 40 HB3 GLU 40 -5.383 2.613 6.739 176 HG2 GLU 40 HG2 GLU 40 -5.510 0.937 8.545 177 HG3 GLU 40 HG3 GLU 40 -3.851 0.467 8.185 178 H LEU 41 H LEU 41 -4.475 0.082 3.510 179 HA LEU 41 HA LEU 41 -5.935 2.262 2.209 180 HB2 LEU 41 HB2 LEU 41 -3.514 2.305 1.919 181 HB3 LEU 41 HB3 LEU 41 -3.550 0.685 1.250 182 HG LEU 41 HG LEU 41 -4.451 1.394 -0.772 183 HD11 LEU 41 HD11 LEU 41 -6.357 2.600 0.117 184 HD12 LEU 41 HD12 LEU 41 -5.529 3.576 -1.105 185 HD13 LEU 41 HD13 LEU 41 -5.306 3.934 0.609 186 HD21 LEU 41 HD21 LEU 41 -3.123 3.296 -1.494 187 HD22 LEU 41 HD22 LEU 41 -2.168 2.234 -0.462 188 HD23 LEU 41 HD23 LEU 41 -2.818 3.738 0.185 189 H ARG 42 H ARG 42 -7.707 1.767 1.191 190 HA ARG 42 HA ARG 42 -8.377 -1.003 0.714 191 HB2 ARG 42 HB2 ARG 42 -9.872 1.566 0.787 192 HB3 ARG 42 HB3 ARG 42 -10.547 0.253 -0.159 193 HG2 ARG 42 HG2 ARG 42 -10.386 -1.159 1.933 194 HG3 ARG 42 HG3 ARG 42 -10.057 0.351 2.795 195 HD2 ARG 42 HD2 ARG 42 -12.143 1.297 1.944 196 HD3 ARG 42 HD3 ARG 42 -12.469 -0.195 1.068 197 HE ARG 42 HE ARG 42 -12.110 -0.775 3.798 198 HH11 ARG 42 HH11 ARG 42 -14.395 0.874 1.710 199 HH12 ARG 42 HH12 ARG 42 -15.772 0.460 2.685 200 HH21 ARG 42 HH22 ARG 42 -13.909 -1.282 5.089 201 HH22 ARG 42 HH21 ARG 42 -15.491 -0.715 4.634 202 H CYS 43 H CYS 43 -8.686 -1.968 -1.218 203 HA CYS 43 HA CYS 43 -8.810 -0.299 -3.623 204 HB2 CYS 43 HB2 CYS 43 -8.903 -2.590 -4.778 205 HB3 CYS 43 HB3 CYS 43 -7.378 -2.171 -4.004 206 HG CYS 43 HG CYS 43 -7.249 -4.254 -2.480 207 HA PRO 44 HA PRO 44 -13.044 -0.463 -2.151 208 HB2 PRO 44 HB3 PRO 44 -14.040 1.520 -3.701 209 HB3 PRO 44 HB2 PRO 44 -13.032 1.814 -2.280 210 HG2 PRO 44 HG2 PRO 44 -12.268 1.787 -5.173 211 HG3 PRO 44 HG3 PRO 44 -11.788 2.923 -3.899 212 HD2 PRO 44 HD2 PRO 44 -10.188 0.904 -4.743 213 HD3 PRO 44 HD3 PRO 44 -10.168 1.514 -3.076 214 H LYS 45 H LYS 45 -12.630 -2.595 -3.773 215 HA LYS 45 HA LYS 45 -14.924 -2.442 -5.610 216 HB2 LYS 45 HB2 LYS 45 -14.048 -4.342 -6.782 217 HB3 LYS 45 HB3 LYS 45 -12.787 -3.128 -6.652 218 HG2 LYS 45 HG2 LYS 45 -11.712 -4.349 -4.916 219 HG3 LYS 45 HG3 LYS 45 -13.035 -5.508 -4.831 220 HD2 LYS 45 HD2 LYS 45 -12.562 -6.000 -7.271 221 HD3 LYS 45 HD3 LYS 45 -11.062 -5.095 -7.063 222 HE2 LYS 45 HE2 LYS 45 -10.271 -6.635 -5.424 223 HE3 LYS 45 HE3 LYS 45 -11.839 -7.432 -5.333 224 HZ1 LYS 45 HZ1 LYS 45 -11.561 -8.173 -7.616 225 HZ2 LYS 45 HZ2 LYS 45 -10.287 -8.730 -6.641 226 HZ3 LYS 45 HZ3 LYS 45 -10.039 -7.428 -7.703 227 H CYS 46 H CYS 46 -14.405 -3.073 -2.569 228 HA CYS 46 HA CYS 46 -15.563 -4.161 -0.939 229 HB2 CYS 46 HB2 CYS 46 -17.206 -5.263 -3.214 230 HB3 CYS 46 HB3 CYS 46 -17.602 -5.411 -1.504 231 HG CYS 46 HG CYS 46 -17.498 -2.411 -1.384 232 H GLN 47 H GLN 47 -13.879 -5.691 -3.361 233 HA GLN 47 HA GLN 47 -13.951 -8.271 -1.972 234 HB2 GLN 47 HB2 GLN 47 -13.297 -7.570 -4.827 235 HB3 GLN 47 HB3 GLN 47 -13.033 -9.173 -4.140 236 HG2 GLN 47 HG2 GLN 47 -15.674 -7.750 -4.377 237 HG3 GLN 47 HG3 GLN 47 -15.104 -9.059 -5.413 238 HE21 GLN 47 HE22 GLN 47 -17.458 -8.840 -3.703 239 HE22 GLN 47 HE21 GLN 47 -17.388 -10.195 -2.629 240 H ASN 48 H ASN 48 -11.964 -9.343 -1.601 241 HA ASN 48 HA ASN 48 -9.767 -9.522 -1.045 242 HB2 ASN 48 HB2 ASN 48 -9.505 -7.075 -2.772 243 HB3 ASN 48 HB3 ASN 48 -8.138 -7.717 -1.870 244 HD21 ASN 48 HD22 ASN 48 -8.816 -10.468 -2.170 245 HD22 ASN 48 HD21 ASN 48 -8.563 -10.890 -3.832 246 H ASN 49 H ASN 49 -8.342 -8.742 0.591 247 HA ASN 49 HA ASN 49 -9.621 -6.721 2.270 248 HB2 ASN 49 HB2 ASN 49 -8.081 -7.529 4.066 249 HB3 ASN 49 HB3 ASN 49 -9.181 -8.758 3.460 250 HD21 ASN 49 HD22 ASN 49 -8.350 -10.435 2.163 251 HD22 ASN 49 HD21 ASN 49 -6.666 -10.835 2.181 252 H SER 50 H SER 50 -9.051 -4.968 1.044 253 HA SER 50 HA SER 50 -7.860 -3.106 0.567 254 HB2 SER 50 HB2 SER 50 -5.881 -4.228 2.565 255 HB3 SER 50 HB3 SER 50 -5.913 -2.569 1.966 256 HG SER 50 HG SER 50 -6.988 -2.647 3.928 257 H ILE 51 H ILE 51 -5.204 -2.570 0.095 258 HA ILE 51 HA ILE 51 -4.731 -4.251 -2.232 259 HB ILE 51 HB ILE 51 -2.979 -2.682 -2.842 260 HG12 ILE 51 HG12 ILE 51 -3.636 -1.185 -0.296 261 HG13 ILE 51 HG13 ILE 51 -2.211 -2.196 -0.508 262 HG21 ILE 51 HG21 ILE 51 -5.221 -2.136 -3.519 263 HG22 ILE 51 HG22 ILE 51 -4.381 -0.650 -3.082 264 HG23 ILE 51 HG23 ILE 51 -5.545 -1.365 -1.969 265 HD11 ILE 51 HD11 ILE 51 -2.877 0.279 -2.080 266 HD12 ILE 51 HD12 ILE 51 -1.459 -0.740 -2.318 267 HD13 ILE 51 HD13 ILE 51 -1.666 0.142 -0.806 268 H ALA 52 H ALA 52 -4.025 -4.624 0.908 269 HA ALA 52 HA ALA 52 -1.259 -5.339 0.836 270 HB1 ALA 52 HB1 ALA 52 -3.417 -6.090 2.813 271 HB2 ALA 52 HB2 ALA 52 -2.328 -4.708 2.926 272 HB3 ALA 52 HB3 ALA 52 -1.687 -6.348 3.041 273 H ASP 53 H ASP 53 -4.301 -7.119 0.619 274 HA ASP 53 HA ASP 53 -2.840 -9.247 -0.772 275 HB2 ASP 53 HB2 ASP 53 -3.267 -10.123 1.464 276 HB3 ASP 53 HB3 ASP 53 -4.968 -9.682 1.341 277 H SER 54 H SER 54 -3.515 -8.467 -2.722 278 HA SER 54 HA SER 54 -6.362 -8.718 -3.291 279 HB2 SER 54 HB2 SER 54 -6.166 -6.531 -4.627 280 HB3 SER 54 HB3 SER 54 -6.254 -6.392 -2.871 281 HG SER 54 HG SER 54 -3.923 -6.291 -2.909 282 H ASN 55 H ASN 55 -6.856 -9.043 -5.485 283 HA ASN 55 HA ASN 55 -4.627 -10.228 -6.975 284 HB2 ASN 55 HB2 ASN 55 -7.620 -10.523 -7.231 285 HB3 ASN 55 HB3 ASN 55 -6.470 -11.278 -8.329 286 HD21 ASN 55 HD22 ASN 55 -5.251 -13.004 -7.639 287 HD22 ASN 55 HD21 ASN 55 -5.605 -13.868 -6.174 288 H SER 56 H SER 56 -5.815 -7.294 -6.805 289 HA SER 56 HA SER 56 -6.379 -6.781 -9.586 290 HB2 SER 56 HB2 SER 56 -7.559 -5.495 -7.880 291 HB3 SER 56 HB3 SER 56 -6.030 -4.856 -7.282 292 HG SER 56 HG SER 56 -7.493 -3.714 -9.031 293 H MET 57 H MET 57 -4.980 -6.273 -11.066 294 HA MET 57 HA MET 57 -2.204 -6.303 -10.737 295 HB2 MET 57 HB2 MET 57 -3.340 -4.738 -12.993 296 HB3 MET 57 HB3 MET 57 -2.088 -5.969 -13.004 297 HG2 MET 57 HG2 MET 57 -3.559 -7.404 -13.791 298 HG3 MET 57 HG3 MET 57 -4.467 -7.265 -12.285 299 HE1 MET 57 HE1 MET 57 -7.113 -4.557 -13.072 300 HE2 MET 57 HE2 MET 57 -5.700 -4.688 -12.021 301 HE3 MET 57 HE3 MET 57 -6.860 -6.017 -12.118 302 H ILE 58 H ILE 58 -4.552 -3.769 -10.584 303 HA ILE 58 HA ILE 58 -2.690 -1.611 -10.858 304 HB ILE 58 HB ILE 58 -4.484 -0.241 -10.995 305 HG12 ILE 58 HG12 ILE 58 -6.708 -0.881 -9.709 306 HG13 ILE 58 HG13 ILE 58 -5.592 -1.801 -8.705 307 HG21 ILE 58 HG21 ILE 58 -5.739 -2.951 -11.369 308 HG22 ILE 58 HG22 ILE 58 -4.985 -1.926 -12.596 309 HG23 ILE 58 HG23 ILE 58 -6.503 -1.429 -11.846 310 HD11 ILE 58 HD11 ILE 58 -5.718 1.151 -9.162 311 HD12 ILE 58 HD12 ILE 58 -4.258 0.362 -8.557 312 HD13 ILE 58 HD13 ILE 58 -5.769 0.258 -7.640 313 H ALA 59 H ALA 59 -4.068 -3.447 -8.225 314 HA ALA 59 HA ALA 59 -3.472 -1.760 -6.075 315 HB1 ALA 59 HB1 ALA 59 -3.414 -4.775 -6.208 316 HB2 ALA 59 HB2 ALA 59 -4.785 -3.772 -5.737 317 HB3 ALA 59 HB3 ALA 59 -3.349 -3.833 -4.720 318 H THR 60 H THR 60 -1.494 -4.068 -7.843 319 HA THR 60 HA THR 60 0.831 -3.990 -6.295 320 HB THR 60 HB THR 60 0.564 -4.333 -9.291 321 HG1 THR 60 HG1 THR 60 0.710 -6.343 -7.262 322 HG21 THR 60 HG21 THR 60 2.851 -3.862 -8.550 323 HG22 THR 60 HG22 THR 60 2.683 -5.512 -9.158 324 HG23 THR 60 HG23 THR 60 2.763 -5.214 -7.420 325 H ASP 61 H ASP 61 -0.211 -1.946 -8.985 326 HA ASP 61 HA ASP 61 2.005 -0.307 -9.316 327 HB2 ASP 61 HB2 ASP 61 -0.437 -0.368 -10.451 328 HB3 ASP 61 HB3 ASP 61 -0.681 0.978 -9.356 329 H LEU 62 H LEU 62 -0.666 -0.071 -7.061 330 HA LEU 62 HA LEU 62 0.083 2.407 -5.882 331 HB2 LEU 62 HB2 LEU 62 -1.547 0.285 -4.510 332 HB3 LEU 62 HB3 LEU 62 -1.688 2.025 -4.376 333 HG LEU 62 HG LEU 62 -2.527 0.320 -6.714 334 HD11 LEU 62 HD11 LEU 62 -3.991 0.297 -4.734 335 HD12 LEU 62 HD12 LEU 62 -4.752 1.013 -6.153 336 HD13 LEU 62 HD13 LEU 62 -4.147 2.048 -4.860 337 HD21 LEU 62 HD21 LEU 62 -1.715 2.302 -7.692 338 HD22 LEU 62 HD22 LEU 62 -2.396 3.304 -6.416 339 HD23 LEU 62 HD23 LEU 62 -3.461 2.512 -7.569 340 H ARG 63 H ARG 63 0.670 -0.972 -5.109 341 HA ARG 63 HA ARG 63 1.795 -0.697 -2.573 342 HB2 ARG 63 HB2 ARG 63 2.401 -2.702 -4.748 343 HB3 ARG 63 HB3 ARG 63 2.907 -2.871 -3.079 344 HG2 ARG 63 HG2 ARG 63 0.065 -2.361 -3.310 345 HG3 ARG 63 HG3 ARG 63 0.567 -3.804 -4.193 346 HD2 ARG 63 HD2 ARG 63 1.471 -3.308 -1.389 347 HD3 ARG 63 HD3 ARG 63 -0.098 -4.042 -1.714 348 HE ARG 63 HE ARG 63 2.098 -5.320 -3.083 349 HH11 ARG 63 HH11 ARG 63 0.324 -5.161 -0.078 350 HH12 ARG 63 HH12 ARG 63 0.633 -6.817 0.339 351 HH21 ARG 63 HH22 ARG 63 2.538 -7.479 -2.527 352 HH22 ARG 63 HH21 ARG 63 1.901 -8.138 -1.042 353 H GLN 64 H GLN 64 3.171 -0.184 -5.746 354 HA GLN 64 HA GLN 64 5.876 0.032 -4.955 355 HB2 GLN 64 HB2 GLN 64 4.468 1.335 -7.281 356 HB3 GLN 64 HB3 GLN 64 6.208 1.153 -7.106 357 HG2 GLN 64 HG2 GLN 64 6.001 -1.248 -7.215 358 HG3 GLN 64 HG3 GLN 64 4.247 -1.124 -7.267 359 HE21 GLN 64 HE22 GLN 64 4.313 1.200 -9.031 360 HE22 GLN 64 HE21 GLN 64 4.719 0.596 -10.601 361 H LYS 65 H LYS 65 3.249 2.390 -5.168 362 HA LYS 65 HA LYS 65 4.754 4.688 -4.588 363 HB2 LYS 65 HB2 LYS 65 2.473 4.847 -5.386 364 HB3 LYS 65 HB3 LYS 65 1.875 4.065 -3.930 365 HG2 LYS 65 HG2 LYS 65 1.447 6.315 -3.532 366 HG3 LYS 65 HG3 LYS 65 2.967 6.030 -2.694 367 HD2 LYS 65 HD2 LYS 65 3.105 6.950 -5.512 368 HD3 LYS 65 HD3 LYS 65 2.646 8.124 -4.274 369 HE2 LYS 65 HE2 LYS 65 4.648 7.774 -3.076 370 HE3 LYS 65 HE3 LYS 65 5.039 6.350 -4.028 371 HZ1 LYS 65 HZ1 LYS 65 5.735 7.596 -5.789 372 HZ2 LYS 65 HZ2 LYS 65 6.215 8.587 -4.498 373 HZ3 LYS 65 HZ3 LYS 65 4.801 8.951 -5.372 374 H VAL 66 H VAL 66 3.113 2.365 -2.522 375 HA VAL 66 HA VAL 66 3.601 3.466 -0.025 376 HB VAL 66 HB VAL 66 3.473 0.570 -0.872 377 HG11 VAL 66 HG11 VAL 66 4.694 1.034 1.310 378 HG12 VAL 66 HG12 VAL 66 3.325 -0.077 1.381 379 HG13 VAL 66 HG13 VAL 66 3.140 1.590 1.929 380 HG21 VAL 66 HG21 VAL 66 1.204 0.670 -0.064 381 HG22 VAL 66 HG22 VAL 66 1.463 1.950 -1.248 382 HG23 VAL 66 HG23 VAL 66 1.435 2.334 0.472 383 H TYR 67 H TYR 67 5.725 1.502 -2.064 384 HA TYR 67 HA TYR 67 7.797 1.290 -0.118 385 HB2 TYR 67 HB2 TYR 67 7.511 -0.286 -2.031 386 HB3 TYR 67 HB3 TYR 67 8.025 0.996 -3.121 387 HD1 TYR 67 HD1 TYR 67 9.142 -1.166 -0.321 388 HD2 TYR 67 HD2 TYR 67 10.317 1.465 -3.453 389 HE1 TYR 67 HE1 TYR 67 11.492 -1.810 0.029 390 HE2 TYR 67 HE2 TYR 67 12.667 0.825 -3.116 391 HH TYR 67 HH TYR 67 13.612 -1.848 -1.240 392 H GLU 68 H GLU 68 7.328 3.382 -2.965 393 HA GLU 68 HA GLU 68 9.715 4.816 -2.810 394 HB2 GLU 68 HB2 GLU 68 7.036 5.942 -3.637 395 HB3 GLU 68 HB3 GLU 68 8.618 6.539 -4.112 396 HG2 GLU 68 HG2 GLU 68 9.022 4.418 -5.303 397 HG3 GLU 68 HG3 GLU 68 7.391 3.904 -4.879 398 H LEU 69 H LEU 69 6.585 5.539 -1.331 399 HA LEU 69 HA LEU 69 7.213 7.986 -0.127 400 HB2 LEU 69 HB2 LEU 69 5.252 5.829 0.613 401 HB3 LEU 69 HB3 LEU 69 5.301 7.391 1.401 402 HG LEU 69 HG LEU 69 4.767 6.930 -1.537 403 HD11 LEU 69 HD11 LEU 69 3.007 6.296 0.236 404 HD12 LEU 69 HD12 LEU 69 2.522 7.316 -1.112 405 HD13 LEU 69 HD13 LEU 69 2.840 8.031 0.469 406 HD21 LEU 69 HD21 LEU 69 4.612 9.198 -1.826 407 HD22 LEU 69 HD22 LEU 69 5.918 9.119 -0.648 408 HD23 LEU 69 HD23 LEU 69 4.283 9.504 -0.122 409 H MET 70 H MET 70 7.912 4.712 0.922 410 HA MET 70 HA MET 70 8.509 5.176 3.611 411 HB2 MET 70 HB2 MET 70 9.805 3.254 1.672 412 HB3 MET 70 HB3 MET 70 10.092 3.244 3.405 413 HG2 MET 70 HG2 MET 70 7.725 2.781 3.788 414 HG3 MET 70 HG3 MET 70 7.447 2.772 2.046 415 HE1 MET 70 HE1 MET 70 7.041 -0.970 2.785 416 HE2 MET 70 HE2 MET 70 6.309 0.532 2.222 417 HE3 MET 70 HE3 MET 70 6.608 0.290 3.945 418 H GLN 71 H GLN 71 10.626 5.409 0.749 419 HA GLN 71 HA GLN 71 12.769 6.446 2.409 420 HB2 GLN 71 HB2 GLN 71 14.007 6.546 0.195 421 HB3 GLN 71 HB3 GLN 71 13.543 4.950 0.767 422 HG2 GLN 71 HG2 GLN 71 11.738 4.839 -0.777 423 HG3 GLN 71 HG3 GLN 71 11.964 6.522 -1.246 424 HE21 GLN 71 HE22 GLN 71 13.758 7.073 -2.534 425 HE22 GLN 71 HE21 GLN 71 14.609 5.873 -3.448 426 H GLU 72 H GLU 72 10.203 7.679 0.485 427 HA GLU 72 HA GLU 72 11.278 10.243 -0.047 428 HB2 GLU 72 HB2 GLU 72 8.401 9.439 0.432 429 HB3 GLU 72 HB3 GLU 72 8.911 11.008 -0.170 430 HG2 GLU 72 HG2 GLU 72 9.992 9.766 -2.093 431 HG3 GLU 72 HG3 GLU 72 9.120 8.345 -1.521 432 H GLY 73 H GLY 73 9.804 8.772 2.766 433 HA2 GLY 73 HA2 GLY 73 10.687 9.494 4.913 434 HA3 GLY 73 HA3 GLY 73 10.663 11.141 4.303 435 H LYS 74 H LYS 74 8.096 8.858 3.753 436 HA LYS 74 HA LYS 74 6.239 10.714 4.981 437 HB2 LYS 74 HB2 LYS 74 5.559 8.092 3.666 438 HB3 LYS 74 HB3 LYS 74 4.530 9.497 3.878 439 HG2 LYS 74 HG2 LYS 74 6.997 9.542 2.149 440 HG3 LYS 74 HG3 LYS 74 5.395 9.102 1.550 441 HD2 LYS 74 HD2 LYS 74 4.535 11.208 1.919 442 HD3 LYS 74 HD3 LYS 74 5.829 11.671 3.030 443 HE2 LYS 74 HE2 LYS 74 7.381 11.512 1.053 444 HE3 LYS 74 HE3 LYS 74 5.946 11.348 0.040 445 HZ1 LYS 74 HZ1 LYS 74 6.734 13.679 1.700 446 HZ2 LYS 74 HZ2 LYS 74 5.168 13.497 1.069 447 HZ3 LYS 74 HZ3 LYS 74 6.495 13.622 0.020 448 H SER 75 H SER 75 4.573 9.927 6.432 449 HA SER 75 HA SER 75 5.569 7.942 8.337 450 HB2 SER 75 HB2 SER 75 3.280 9.908 8.577 451 HB3 SER 75 HB3 SER 75 3.909 8.883 9.872 452 HG SER 75 HG SER 75 6.015 10.024 9.196 453 H LYS 76 H LYS 76 3.668 6.608 9.370 454 HA LYS 76 HA LYS 76 2.965 4.780 7.402 455 HB2 LYS 76 HB2 LYS 76 2.246 5.176 10.235 456 HB3 LYS 76 HB3 LYS 76 1.166 4.157 9.297 457 HG2 LYS 76 HG2 LYS 76 2.789 2.772 10.362 458 HG3 LYS 76 HG3 LYS 76 3.111 2.774 8.636 459 HD2 LYS 76 HD2 LYS 76 4.558 4.667 10.449 460 HD3 LYS 76 HD3 LYS 76 5.082 2.992 10.314 461 HE2 LYS 76 HE2 LYS 76 5.313 3.289 7.884 462 HE3 LYS 76 HE3 LYS 76 4.836 4.979 8.049 463 HZ1 LYS 76 HZ1 LYS 76 7.265 3.676 9.156 464 HZ2 LYS 76 HZ2 LYS 76 6.776 5.246 9.567 465 HZ3 LYS 76 HZ3 LYS 76 7.203 4.885 7.966 466 H LYS 77 H LYS 77 0.734 7.004 9.079 467 HA LYS 77 HA LYS 77 -1.433 6.406 7.309 468 HB2 LYS 77 HB2 LYS 77 -1.140 8.897 8.989 469 HB3 LYS 77 HB3 LYS 77 -2.628 8.169 8.399 470 HG2 LYS 77 HG2 LYS 77 -0.774 7.121 10.503 471 HG3 LYS 77 HG3 LYS 77 -2.447 7.659 10.706 472 HD2 LYS 77 HD2 LYS 77 -3.094 5.788 9.127 473 HD3 LYS 77 HD3 LYS 77 -1.441 5.195 9.290 474 HE2 LYS 77 HE2 LYS 77 -2.616 3.958 10.872 475 HE3 LYS 77 HE3 LYS 77 -1.903 5.261 11.825 476 HZ1 LYS 77 HZ1 LYS 77 -4.206 4.947 12.422 477 HZ2 LYS 77 HZ2 LYS 77 -4.690 5.147 10.812 478 HZ3 LYS 77 HZ3 LYS 77 -4.024 6.452 11.660 479 H GLU 78 H GLU 78 1.111 8.740 7.402 480 HA GLU 78 HA GLU 78 0.243 10.510 5.425 481 HB2 GLU 78 HB2 GLU 78 2.158 10.946 6.866 482 HB3 GLU 78 HB3 GLU 78 3.058 9.644 6.101 483 HG2 GLU 78 HG2 GLU 78 3.800 11.775 5.274 484 HG3 GLU 78 HG3 GLU 78 3.005 10.869 3.984 485 H ILE 79 H ILE 79 2.004 7.429 5.091 486 HA ILE 79 HA ILE 79 2.425 7.584 2.315 487 HB ILE 79 HB ILE 79 2.291 5.293 4.242 488 HG12 ILE 79 HG12 ILE 79 4.468 4.975 2.579 489 HG13 ILE 79 HG13 ILE 79 4.304 6.723 2.662 490 HG21 ILE 79 HG21 ILE 79 1.080 4.840 1.936 491 HG22 ILE 79 HG22 ILE 79 2.111 3.626 2.695 492 HG23 ILE 79 HG23 ILE 79 2.740 4.622 1.382 493 HD11 ILE 79 HD11 ILE 79 4.460 4.946 5.083 494 HD12 ILE 79 HD12 ILE 79 4.597 6.701 5.028 495 HD13 ILE 79 HD13 ILE 79 5.862 5.698 4.326 496 H VAL 80 H VAL 80 -0.263 6.051 4.104 497 HA VAL 80 HA VAL 80 -1.659 5.356 1.741 498 HB VAL 80 HB VAL 80 -2.238 4.049 3.590 499 HG11 VAL 80 HG11 VAL 80 -2.831 6.567 5.118 500 HG12 VAL 80 HG12 VAL 80 -1.459 5.491 5.371 501 HG13 VAL 80 HG13 VAL 80 -3.095 4.927 5.708 502 HG21 VAL 80 HG21 VAL 80 -4.168 4.588 2.242 503 HG22 VAL 80 HG22 VAL 80 -4.451 6.033 3.212 504 HG23 VAL 80 HG23 VAL 80 -4.637 4.435 3.938 505 H ASP 81 H ASP 81 -1.793 8.146 3.892 506 HA ASP 81 HA ASP 81 -4.001 9.420 2.690 507 HB2 ASP 81 HB2 ASP 81 -3.159 10.185 4.828 508 HB3 ASP 81 HB3 ASP 81 -1.602 10.583 4.115 509 H TYR 82 H TYR 82 -0.557 9.528 2.013 510 HA TYR 82 HA TYR 82 -0.504 11.394 -0.047 511 HB2 TYR 82 HB2 TYR 82 1.432 10.048 1.093 512 HB3 TYR 82 HB3 TYR 82 1.116 8.876 -0.174 513 HD1 TYR 82 HD2 TYR 82 1.242 9.665 -2.607 514 HD2 TYR 82 HD1 TYR 82 2.760 11.899 0.661 515 HE1 TYR 82 HE2 TYR 82 2.638 10.965 -4.160 516 HE2 TYR 82 HE1 TYR 82 4.165 13.221 -0.877 517 HH TYR 82 HH TYR 82 3.716 13.245 -4.202 518 H MET 83 H MET 83 -1.118 7.922 -0.103 519 HA MET 83 HA MET 83 -1.471 7.724 -2.890 520 HB2 MET 83 HB2 MET 83 -2.503 5.964 -0.660 521 HB3 MET 83 HB3 MET 83 -2.603 5.558 -2.369 522 HG2 MET 83 HG2 MET 83 0.077 6.176 -1.947 523 HG3 MET 83 HG3 MET 83 -0.411 5.260 -0.520 524 HE1 MET 83 HE1 MET 83 -0.356 5.261 -4.457 525 HE2 MET 83 HE2 MET 83 -2.033 4.892 -4.057 526 HE3 MET 83 HE3 MET 83 -1.013 3.661 -4.800 527 H VAL 84 H VAL 84 -3.831 8.169 -0.233 528 HA VAL 84 HA VAL 84 -6.055 7.972 -2.019 529 HB VAL 84 HB VAL 84 -7.459 8.720 -0.146 530 HG11 VAL 84 HG11 VAL 84 -5.402 6.768 0.837 531 HG12 VAL 84 HG12 VAL 84 -6.633 6.370 -0.362 532 HG13 VAL 84 HG13 VAL 84 -7.110 6.845 1.267 533 HG21 VAL 84 HG21 VAL 84 -6.549 9.255 2.019 534 HG22 VAL 84 HG22 VAL 84 -5.874 10.359 0.826 535 HG23 VAL 84 HG23 VAL 84 -4.905 9.021 1.427 536 H ALA 85 H ALA 85 -4.091 10.596 -0.869 537 HA ALA 85 HA ALA 85 -5.812 12.725 -1.602 538 HB1 ALA 85 HB1 ALA 85 -3.599 14.025 -1.542 539 HB2 ALA 85 HB2 ALA 85 -2.873 12.498 -1.027 540 HB3 ALA 85 HB3 ALA 85 -4.144 13.249 -0.055 541 H ARG 86 H ARG 86 -3.228 11.002 -3.315 542 HA ARG 86 HA ARG 86 -3.662 12.707 -5.664 543 HB2 ARG 86 HB2 ARG 86 -1.485 10.750 -4.956 544 HB3 ARG 86 HB3 ARG 86 -1.641 11.433 -6.567 545 HG2 ARG 86 HG2 ARG 86 -0.031 12.748 -5.491 546 HG3 ARG 86 HG3 ARG 86 -1.509 13.711 -5.428 547 HD2 ARG 86 HD2 ARG 86 -1.915 12.938 -3.155 548 HD3 ARG 86 HD3 ARG 86 -0.455 11.962 -3.215 549 HE ARG 86 HE ARG 86 0.220 14.634 -3.776 550 HH11 ARG 86 HH11 ARG 86 -0.986 12.696 -1.125 551 HH12 ARG 86 HH12 ARG 86 -0.195 13.628 0.108 552 HH21 ARG 86 HH22 ARG 86 1.297 15.858 -2.171 553 HH22 ARG 86 HH21 ARG 86 1.101 15.438 -0.490 554 H TYR 87 H TYR 87 -3.465 9.274 -4.819 555 HA TYR 87 HA TYR 87 -4.548 8.521 -7.426 556 HB2 TYR 87 HB2 TYR 87 -3.464 6.805 -5.189 557 HB3 TYR 87 HB3 TYR 87 -3.887 6.251 -6.803 558 HD1 TYR 87 HD2 TYR 87 -2.630 7.624 -8.740 559 HD2 TYR 87 HD1 TYR 87 -1.226 7.190 -4.748 560 HE1 TYR 87 HE2 TYR 87 -0.340 8.095 -9.497 561 HE2 TYR 87 HE1 TYR 87 1.080 7.658 -5.493 562 HH TYR 87 HH TYR 87 2.394 7.499 -7.614 563 H GLY 88 H GLY 88 -6.264 9.816 -5.506 564 HA2 GLY 88 HA2 GLY 88 -7.656 7.904 -3.928 565 HA3 GLY 88 HA3 GLY 88 -8.141 9.566 -4.212 566 H ASN 89 H ASN 89 -7.751 8.089 -7.185 567 HA ASN 89 HA ASN 89 -10.618 7.757 -7.447 568 HB2 ASN 89 HB2 ASN 89 -8.423 7.476 -9.507 569 HB3 ASN 89 HB3 ASN 89 -10.146 7.390 -9.852 570 HD21 ASN 89 HD22 ASN 89 -11.413 9.278 -9.587 571 HD22 ASN 89 HD21 ASN 89 -10.678 10.850 -9.684 572 H PHE 90 H PHE 90 -7.785 5.877 -7.139 573 HA PHE 90 HA PHE 90 -9.301 3.400 -7.638 574 HB2 PHE 90 HB2 PHE 90 -6.307 3.827 -7.741 575 HB3 PHE 90 HB3 PHE 90 -7.140 2.309 -8.061 576 HD1 PHE 90 HD2 PHE 90 -8.452 2.017 -10.101 577 HD2 PHE 90 HD1 PHE 90 -6.245 5.575 -9.353 578 HE1 PHE 90 HE2 PHE 90 -8.645 2.626 -12.476 579 HE2 PHE 90 HE1 PHE 90 -6.434 6.193 -11.731 580 HZ PHE 90 HZ PHE 90 -7.634 4.718 -13.294 581 H VAL 91 H VAL 91 -7.558 5.248 -5.333 582 HA VAL 91 HA VAL 91 -7.494 2.952 -3.493 583 HB VAL 91 HB VAL 91 -5.495 3.619 -2.636 584 HG11 VAL 91 HG11 VAL 91 -5.180 5.275 -5.125 585 HG12 VAL 91 HG12 VAL 91 -5.299 3.506 -5.184 586 HG13 VAL 91 HG13 VAL 91 -3.980 4.269 -4.293 587 HG21 VAL 91 HG21 VAL 91 -6.276 5.684 -1.686 588 HG22 VAL 91 HG22 VAL 91 -6.233 6.466 -3.267 589 HG23 VAL 91 HG23 VAL 91 -4.731 5.961 -2.492 590 H THR 92 H THR 92 -8.019 3.395 -1.253 591 HA THR 92 HA THR 92 -9.091 5.990 -0.569 592 HB THR 92 HB THR 92 -10.893 3.553 -0.612 593 HG1 THR 92 HG1 THR 92 -10.444 5.407 -2.436 594 HG21 THR 92 HG21 THR 92 -11.253 4.861 1.425 595 HG22 THR 92 HG22 THR 92 -12.625 5.000 0.322 596 HG23 THR 92 HG23 THR 92 -11.463 6.320 0.453 597 H TYR 93 H TYR 93 -9.007 6.388 1.624 598 HA TYR 93 HA TYR 93 -7.631 4.362 3.190 599 HB2 TYR 93 HB2 TYR 93 -6.693 6.607 3.211 600 HB3 TYR 93 HB3 TYR 93 -8.217 7.277 3.777 601 HD1 TYR 93 HD1 TYR 93 -6.816 4.119 5.031 602 HD2 TYR 93 HD2 TYR 93 -7.298 8.277 5.788 603 HE1 TYR 93 HE1 TYR 93 -6.064 3.776 7.338 604 HE2 TYR 93 HE2 TYR 93 -6.546 7.941 8.109 605 HH TYR 93 HH TYR 93 -5.332 4.797 9.190 606 H ASP 94 H ASP 94 -8.856 2.938 4.153 607 HA ASP 94 HA ASP 94 -10.976 3.701 5.942 608 HB2 ASP 94 HB2 ASP 94 -11.549 2.529 3.268 609 HB3 ASP 94 HB3 ASP 94 -12.427 1.849 4.625 610 HA PRO 95 HA PRO 95 -9.815 -0.211 7.876 611 HB2 PRO 95 HB3 PRO 95 -12.291 -1.128 8.657 612 HB3 PRO 95 HB2 PRO 95 -11.366 0.088 9.544 613 HG2 PRO 95 HG2 PRO 95 -13.600 0.463 7.584 614 HG3 PRO 95 HG3 PRO 95 -13.326 1.278 9.137 615 HD2 PRO 95 HD2 PRO 95 -12.723 2.471 6.816 616 HD3 PRO 95 HD3 PRO 95 -11.697 2.682 8.251 617 HA PRO 96 HA PRO 96 -10.744 -3.464 4.951 618 HB2 PRO 96 HB3 PRO 96 -11.732 -5.471 6.799 619 HB3 PRO 96 HB2 PRO 96 -10.180 -5.392 5.975 620 HG2 PRO 96 HG2 PRO 96 -10.476 -5.083 8.663 621 HG3 PRO 96 HG3 PRO 96 -9.138 -4.401 7.722 622 HD2 PRO 96 HD2 PRO 96 -11.599 -3.083 8.762 623 HD3 PRO 96 HD3 PRO 96 -9.946 -2.462 8.618 624 H LEU 97 H LEU 97 -12.557 -5.270 4.423 625 HA LEU 97 HA LEU 97 -15.048 -3.807 4.242 626 HB2 LEU 97 HB2 LEU 97 -14.156 -6.505 3.283 627 HB3 LEU 97 HB3 LEU 97 -15.813 -5.973 3.115 628 HG LEU 97 HG LEU 97 -14.721 -5.611 1.023 629 HD11 LEU 97 HD11 LEU 97 -14.977 -2.982 2.469 630 HD12 LEU 97 HD12 LEU 97 -16.292 -3.888 1.719 631 HD13 LEU 97 HD13 LEU 97 -15.003 -3.218 0.720 632 HD21 LEU 97 HD21 LEU 97 -12.402 -5.607 1.760 633 HD22 LEU 97 HD22 LEU 97 -12.633 -4.034 2.527 634 HD23 LEU 97 HD23 LEU 97 -12.746 -4.186 0.773 635 H THR 98 H THR 98 -13.774 -5.119 6.717 636 HA THR 98 HA THR 98 -15.442 -7.045 7.781 637 HB THR 98 HB THR 98 -13.279 -6.235 8.782 638 HG1 THR 98 HG1 THR 98 -15.229 -6.017 10.813 639 HG21 THR 98 HG21 THR 98 -13.696 -3.827 8.627 640 HG22 THR 98 HG22 THR 98 -13.305 -4.313 10.276 641 HG23 THR 98 HG23 THR 98 -14.977 -3.971 9.831 642 HA PRO 99 HA PRO 99 -19.264 -4.802 8.311 643 HB2 PRO 99 HB3 PRO 99 -20.451 -6.519 10.066 644 HB3 PRO 99 HB2 PRO 99 -20.355 -6.811 8.326 645 HG2 PRO 99 HG2 PRO 99 -18.684 -7.926 10.534 646 HG3 PRO 99 HG3 PRO 99 -19.298 -8.726 9.076 647 HD2 PRO 99 HD2 PRO 99 -16.735 -7.847 9.331 648 HD3 PRO 99 HD3 PRO 99 -17.581 -7.940 7.774 Start of MODEL 16 1 H THR 19 H1 THR 19 9.218 -13.060 -7.351 2 HA THR 19 HA THR 19 9.874 -10.493 -6.038 3 HB THR 19 HB THR 19 11.900 -11.682 -6.790 4 HG1 THR 19 HG1 THR 19 12.575 -9.985 -8.335 5 HG21 THR 19 HG21 THR 19 10.952 -13.060 -8.550 6 HG22 THR 19 HG22 THR 19 12.262 -12.071 -9.195 7 HG23 THR 19 HG23 THR 19 10.585 -11.623 -9.503 8 H ILE 20 H ILE 20 9.564 -8.663 -7.456 9 HA ILE 20 HA ILE 20 7.993 -9.043 -9.861 10 HB ILE 20 HB ILE 20 6.252 -9.078 -8.155 11 HG12 ILE 20 HG12 ILE 20 5.991 -7.798 -10.392 12 HG13 ILE 20 HG13 ILE 20 4.766 -7.584 -9.152 13 HG21 ILE 20 HG21 ILE 20 7.247 -6.371 -7.306 14 HG22 ILE 20 HG22 ILE 20 7.420 -7.870 -6.394 15 HG23 ILE 20 HG23 ILE 20 5.816 -7.194 -6.686 16 HD11 ILE 20 HD11 ILE 20 5.313 -5.482 -10.211 17 HD12 ILE 20 HD12 ILE 20 7.015 -5.697 -9.793 18 HD13 ILE 20 HD13 ILE 20 5.815 -5.462 -8.520 19 H ASP 21 H ASP 21 9.474 -6.831 -7.547 20 HA ASP 21 HA ASP 21 10.320 -5.132 -9.769 21 HB2 ASP 21 HB2 ASP 21 8.124 -4.268 -8.825 22 HB3 ASP 21 HB3 ASP 21 8.975 -3.978 -7.314 23 H VAL 22 H VAL 22 11.540 -3.129 -8.400 24 HA VAL 22 HA VAL 22 13.873 -4.365 -7.338 25 HB VAL 22 HB VAL 22 13.859 -2.220 -8.592 26 HG11 VAL 22 HG11 VAL 22 11.817 -1.295 -7.546 27 HG12 VAL 22 HG12 VAL 22 13.171 -0.165 -7.538 28 HG13 VAL 22 HG13 VAL 22 12.734 -1.026 -6.063 29 HG21 VAL 22 HG21 VAL 22 15.767 -2.832 -7.159 30 HG22 VAL 22 HG22 VAL 22 15.016 -1.960 -5.820 31 HG23 VAL 22 HG23 VAL 22 15.536 -1.087 -7.264 32 H LEU 23 H LEU 23 10.931 -3.774 -5.941 33 HA LEU 23 HA LEU 23 11.317 -2.448 -3.577 34 HB2 LEU 23 HB2 LEU 23 9.534 -4.854 -3.726 35 HB3 LEU 23 HB3 LEU 23 9.293 -3.367 -2.831 36 HG LEU 23 HG LEU 23 8.998 -3.804 -5.796 37 HD11 LEU 23 HD11 LEU 23 7.071 -2.786 -3.725 38 HD12 LEU 23 HD12 LEU 23 7.111 -4.432 -4.357 39 HD13 LEU 23 HD13 LEU 23 6.726 -3.083 -5.428 40 HD21 LEU 23 HD21 LEU 23 9.879 -1.723 -5.961 41 HD22 LEU 23 HD22 LEU 23 9.487 -1.301 -4.296 42 HD23 LEU 23 HD23 LEU 23 8.231 -1.265 -5.532 43 H GLN 24 H GLN 24 12.900 -2.783 -2.167 44 HA GLN 24 HA GLN 24 13.473 -5.532 -1.303 45 HB2 GLN 24 HB2 GLN 24 15.202 -3.061 -1.243 46 HB3 GLN 24 HB3 GLN 24 15.653 -4.593 -0.513 47 HG2 GLN 24 HG2 GLN 24 15.093 -4.138 -3.430 48 HG3 GLN 24 HG3 GLN 24 16.690 -4.274 -2.693 49 HE21 GLN 24 HE22 GLN 24 15.377 -5.896 -4.752 50 HE22 GLN 24 HE21 GLN 24 15.414 -7.521 -4.162 51 H PHE 25 H PHE 25 13.686 -5.999 0.859 52 HA PHE 25 HA PHE 25 12.938 -3.915 2.792 53 HB2 PHE 25 HB2 PHE 25 11.923 -6.770 2.829 54 HB3 PHE 25 HB3 PHE 25 11.545 -5.519 4.014 55 HD1 PHE 25 HD1 PHE 25 10.358 -3.413 3.141 56 HD2 PHE 25 HD2 PHE 25 10.550 -7.075 0.981 57 HE1 PHE 25 HE1 PHE 25 8.394 -2.736 1.825 58 HE2 PHE 25 HE2 PHE 25 8.589 -6.401 -0.342 59 HZ PHE 25 HZ PHE 25 7.574 -4.183 0.010 60 H LYS 26 H LYS 26 14.347 -3.687 4.252 61 HA LYS 26 HA LYS 26 16.758 -4.939 4.477 62 HB2 LYS 26 HB2 LYS 26 16.745 -2.959 5.605 63 HB3 LYS 26 HB3 LYS 26 15.104 -3.175 6.177 64 HG2 LYS 26 HG2 LYS 26 16.920 -5.055 7.416 65 HG3 LYS 26 HG3 LYS 26 17.412 -3.378 7.669 66 HD2 LYS 26 HD2 LYS 26 14.545 -4.086 8.021 67 HD3 LYS 26 HD3 LYS 26 15.686 -4.561 9.287 68 HE2 LYS 26 HE2 LYS 26 15.356 -1.763 8.212 69 HE3 LYS 26 HE3 LYS 26 14.614 -2.361 9.693 70 HZ1 LYS 26 HZ1 LYS 26 16.733 -1.101 9.998 71 HZ2 LYS 26 HZ2 LYS 26 17.547 -2.374 9.232 72 HZ3 LYS 26 HZ3 LYS 26 16.728 -2.649 10.687 73 H ASP 27 H ASP 27 13.754 -5.744 6.054 74 HA ASP 27 HA ASP 27 14.591 -8.412 6.585 75 HB2 ASP 27 HB2 ASP 27 15.491 -6.806 8.519 76 HB3 ASP 27 HB3 ASP 27 13.831 -6.949 9.085 77 H GLU 28 H GLU 28 12.635 -9.323 8.197 78 HA GLU 28 HA GLU 28 10.306 -9.017 6.649 79 HB2 GLU 28 HB2 GLU 28 9.198 -10.418 8.194 80 HB3 GLU 28 HB3 GLU 28 10.866 -10.964 8.189 81 HG2 GLU 28 HG2 GLU 28 9.667 -9.149 10.272 82 HG3 GLU 28 HG3 GLU 28 9.833 -10.895 10.434 83 H ALA 29 H ALA 29 11.471 -7.347 9.474 84 HA ALA 29 HA ALA 29 9.182 -5.988 10.286 85 HB1 ALA 29 HB1 ALA 29 10.628 -4.486 11.423 86 HB2 ALA 29 HB2 ALA 29 11.956 -4.815 10.306 87 HB3 ALA 29 HB3 ALA 29 11.425 -6.061 11.441 88 H GLN 30 H GLN 30 11.559 -5.101 7.786 89 HA GLN 30 HA GLN 30 10.418 -2.566 7.231 90 HB2 GLN 30 HB2 GLN 30 12.748 -3.572 6.465 91 HB3 GLN 30 HB3 GLN 30 11.809 -4.155 5.103 92 HG2 GLN 30 HG2 GLN 30 11.428 -2.076 4.272 93 HG3 GLN 30 HG3 GLN 30 11.558 -1.301 5.851 94 HE21 GLN 30 HE22 GLN 30 13.542 -0.694 6.615 95 HE22 GLN 30 HE21 GLN 30 14.968 -0.682 5.631 96 H GLU 31 H GLU 31 9.794 -5.811 6.235 97 HA GLU 31 HA GLU 31 7.978 -5.097 4.126 98 HB2 GLU 31 HB2 GLU 31 9.323 -7.157 4.055 99 HB3 GLU 31 HB3 GLU 31 8.488 -7.753 5.473 100 HG2 GLU 31 HG2 GLU 31 6.410 -7.867 4.262 101 HG3 GLU 31 HG3 GLU 31 7.155 -7.113 2.854 102 H GLN 32 H GLN 32 7.773 -5.606 7.556 103 HA GLN 32 HA GLN 32 4.939 -5.979 7.687 104 HB2 GLN 32 HB2 GLN 32 6.836 -4.842 9.757 105 HB3 GLN 32 HB3 GLN 32 5.182 -5.349 10.063 106 HG2 GLN 32 HG2 GLN 32 5.913 -7.646 9.280 107 HG3 GLN 32 HG3 GLN 32 7.560 -7.043 9.395 108 HE21 GLN 32 HE22 GLN 32 4.970 -6.088 11.538 109 HE22 GLN 32 HE21 GLN 32 5.593 -6.857 12.957 110 H GLN 33 H GLN 33 7.110 -3.168 7.801 111 HA GLN 33 HA GLN 33 5.217 -1.143 8.088 112 HB2 GLN 33 HB2 GLN 33 7.501 -0.497 8.032 113 HB3 GLN 33 HB3 GLN 33 7.766 -1.264 6.474 114 HG2 GLN 33 HG2 GLN 33 6.314 0.422 5.424 115 HG3 GLN 33 HG3 GLN 33 6.105 1.189 7.001 116 HE21 GLN 33 HE22 GLN 33 7.003 3.111 6.171 117 HE22 GLN 33 HE21 GLN 33 8.705 3.284 5.954 118 H PHE 34 H PHE 34 6.342 -2.811 5.193 119 HA PHE 34 HA PHE 34 4.656 -1.628 3.320 120 HB2 PHE 34 HB2 PHE 34 6.581 -3.117 2.800 121 HB3 PHE 34 HB3 PHE 34 5.648 -4.488 3.385 122 HD1 PHE 34 HD1 PHE 34 5.703 -1.827 0.812 123 HD2 PHE 34 HD2 PHE 34 4.206 -5.640 1.962 124 HE1 PHE 34 HE1 PHE 34 4.790 -2.144 -1.450 125 HE2 PHE 34 HE2 PHE 34 3.287 -5.965 -0.297 126 HZ PHE 34 HZ PHE 34 3.579 -4.215 -2.005 127 H ARG 35 H ARG 35 4.170 -4.393 5.471 128 HA ARG 35 HA ARG 35 1.680 -5.272 4.596 129 HB2 ARG 35 HB2 ARG 35 3.313 -5.549 6.992 130 HB3 ARG 35 HB3 ARG 35 1.600 -5.540 7.364 131 HG2 ARG 35 HG2 ARG 35 2.388 -7.783 7.082 132 HG3 ARG 35 HG3 ARG 35 1.257 -7.382 5.786 133 HD2 ARG 35 HD2 ARG 35 3.492 -6.694 4.580 134 HD3 ARG 35 HD3 ARG 35 4.185 -7.847 5.714 135 HE ARG 35 HE ARG 35 1.925 -8.643 4.002 136 HH11 ARG 35 HH11 ARG 35 5.168 -9.128 5.186 137 HH12 ARG 35 HH12 ARG 35 5.472 -10.516 4.193 138 HH21 ARG 35 HH22 ARG 35 2.291 -10.508 2.700 139 HH22 ARG 35 HH21 ARG 35 3.838 -11.309 2.791 140 H GLN 36 H GLN 36 2.397 -2.904 7.160 141 HA GLN 36 HA GLN 36 -0.322 -2.386 7.760 142 HB2 GLN 36 HB2 GLN 36 2.052 -0.568 8.236 143 HB3 GLN 36 HB3 GLN 36 0.507 -0.514 9.070 144 HG2 GLN 36 HG2 GLN 36 0.934 -2.565 10.186 145 HG3 GLN 36 HG3 GLN 36 2.352 -2.884 9.189 146 HE21 GLN 36 HE22 GLN 36 2.119 -2.716 12.095 147 HE22 GLN 36 HE21 GLN 36 3.226 -1.477 12.584 148 H LEU 37 H LEU 37 2.023 -0.858 5.663 149 HA LEU 37 HA LEU 37 0.432 1.398 5.042 150 HB2 LEU 37 HB2 LEU 37 2.808 0.186 3.625 151 HB3 LEU 37 HB3 LEU 37 2.086 1.732 3.205 152 HG LEU 37 HG LEU 37 3.492 1.011 5.776 153 HD11 LEU 37 HD11 LEU 37 5.019 1.435 3.973 154 HD12 LEU 37 HD12 LEU 37 5.033 2.813 5.075 155 HD13 LEU 37 HD13 LEU 37 4.162 2.917 3.544 156 HD21 LEU 37 HD21 LEU 37 3.145 3.429 6.337 157 HD22 LEU 37 HD22 LEU 37 1.695 2.425 6.400 158 HD23 LEU 37 HD23 LEU 37 1.971 3.493 5.022 159 H THR 38 H THR 38 0.477 -1.854 3.844 160 HA THR 38 HA THR 38 -1.155 -1.067 1.549 161 HB THR 38 HB THR 38 -1.060 -3.564 1.006 162 HG1 THR 38 HG1 THR 38 1.155 -3.453 2.792 163 HG21 THR 38 HG21 THR 38 1.297 -1.714 0.886 164 HG22 THR 38 HG22 THR 38 0.156 -2.137 -0.384 165 HG23 THR 38 HG23 THR 38 1.347 -3.318 0.163 166 H GLU 39 H GLU 39 -1.539 -2.224 4.756 167 HA GLU 39 HA GLU 39 -4.068 -3.533 4.113 168 HB2 GLU 39 HB2 GLU 39 -2.473 -3.366 6.655 169 HB3 GLU 39 HB3 GLU 39 -4.097 -4.039 6.601 170 HG2 GLU 39 HG2 GLU 39 -3.264 -5.646 4.861 171 HG3 GLU 39 HG3 GLU 39 -1.640 -5.051 5.202 172 H GLU 40 H GLU 40 -2.903 -0.623 5.698 173 HA GLU 40 HA GLU 40 -5.568 -0.015 6.680 174 HB2 GLU 40 HB2 GLU 40 -3.404 0.501 7.954 175 HB3 GLU 40 HB3 GLU 40 -3.176 1.820 6.813 176 HG2 GLU 40 HG2 GLU 40 -5.226 2.857 7.522 177 HG3 GLU 40 HG3 GLU 40 -5.607 1.482 8.556 178 H LEU 41 H LEU 41 -5.745 -0.303 4.083 179 HA LEU 41 HA LEU 41 -6.279 2.396 3.110 180 HB2 LEU 41 HB2 LEU 41 -4.156 1.992 2.124 181 HB3 LEU 41 HB3 LEU 41 -4.577 0.348 1.699 182 HG LEU 41 HG LEU 41 -6.068 1.116 -0.035 183 HD11 LEU 41 HD11 LEU 41 -6.996 3.081 0.922 184 HD12 LEU 41 HD12 LEU 41 -6.169 3.558 -0.567 185 HD13 LEU 41 HD13 LEU 41 -5.413 3.866 0.997 186 HD21 LEU 41 HD21 LEU 41 -3.815 0.850 -0.731 187 HD22 LEU 41 HD22 LEU 41 -3.359 2.408 -0.046 188 HD23 LEU 41 HD23 LEU 41 -4.408 2.344 -1.462 189 H ARG 42 H ARG 42 -8.186 2.538 2.057 190 HA ARG 42 HA ARG 42 -9.766 0.119 1.929 191 HB2 ARG 42 HB2 ARG 42 -10.414 2.725 2.574 192 HB3 ARG 42 HB3 ARG 42 -11.030 2.560 0.937 193 HG2 ARG 42 HG2 ARG 42 -12.004 0.300 1.950 194 HG3 ARG 42 HG3 ARG 42 -11.915 1.252 3.432 195 HD2 ARG 42 HD2 ARG 42 -13.165 3.060 2.239 196 HD3 ARG 42 HD3 ARG 42 -13.395 1.935 0.904 197 HE ARG 42 HE ARG 42 -14.340 1.286 3.618 198 HH11 ARG 42 HH11 ARG 42 -15.001 1.828 0.205 199 HH12 ARG 42 HH12 ARG 42 -16.611 1.180 0.304 200 HH21 ARG 42 HH22 ARG 42 -16.463 0.494 3.728 201 HH22 ARG 42 HH21 ARG 42 -17.436 0.424 2.287 202 H CYS 43 H CYS 43 -9.423 -1.072 0.169 203 HA CYS 43 HA CYS 43 -9.498 0.262 -2.439 204 HB2 CYS 43 HB2 CYS 43 -8.968 -2.174 -3.215 205 HB3 CYS 43 HB3 CYS 43 -7.691 -1.207 -2.488 206 HG CYS 43 HG CYS 43 -9.439 -3.757 -1.018 207 HA PRO 44 HA PRO 44 -13.802 -0.735 -2.540 208 HB2 PRO 44 HB3 PRO 44 -13.751 0.008 -5.367 209 HB3 PRO 44 HB2 PRO 44 -14.522 0.831 -4.006 210 HG2 PRO 44 HG2 PRO 44 -12.364 1.845 -5.276 211 HG3 PRO 44 HG3 PRO 44 -12.657 2.096 -3.545 212 HD2 PRO 44 HD2 PRO 44 -10.821 0.144 -4.890 213 HD3 PRO 44 HD3 PRO 44 -10.528 1.166 -3.465 214 H LYS 45 H LYS 45 -11.944 -2.935 -3.075 215 HA LYS 45 HA LYS 45 -13.169 -4.387 -5.270 216 HB2 LYS 45 HB2 LYS 45 -10.811 -4.737 -4.918 217 HB3 LYS 45 HB3 LYS 45 -11.085 -5.171 -3.235 218 HG2 LYS 45 HG2 LYS 45 -10.716 -7.171 -4.431 219 HG3 LYS 45 HG3 LYS 45 -12.430 -7.112 -4.042 220 HD2 LYS 45 HD2 LYS 45 -12.733 -6.108 -6.376 221 HD3 LYS 45 HD3 LYS 45 -11.084 -6.660 -6.687 222 HE2 LYS 45 HE2 LYS 45 -12.032 -8.920 -5.700 223 HE3 LYS 45 HE3 LYS 45 -13.567 -8.231 -6.229 224 HZ1 LYS 45 HZ1 LYS 45 -12.606 -7.956 -8.461 225 HZ2 LYS 45 HZ2 LYS 45 -12.660 -9.580 -7.967 226 HZ3 LYS 45 HZ3 LYS 45 -11.190 -8.733 -7.934 227 H CYS 46 H CYS 46 -13.334 -4.110 -1.822 228 HA CYS 46 HA CYS 46 -14.795 -4.865 -0.263 229 HB2 CYS 46 HB2 CYS 46 -16.323 -6.090 -2.564 230 HB3 CYS 46 HB3 CYS 46 -16.913 -5.889 -0.917 231 HG CYS 46 HG CYS 46 -18.031 -3.646 -1.414 232 H GLN 47 H GLN 47 -14.070 -7.283 -2.732 233 HA GLN 47 HA GLN 47 -14.029 -9.406 -0.768 234 HB2 GLN 47 HB2 GLN 47 -13.333 -9.486 -3.703 235 HB3 GLN 47 HB3 GLN 47 -13.650 -10.871 -2.661 236 HG2 GLN 47 HG2 GLN 47 -15.616 -8.716 -3.396 237 HG3 GLN 47 HG3 GLN 47 -15.590 -10.366 -4.028 238 HE21 GLN 47 HE22 GLN 47 -17.615 -8.821 -2.475 239 HE22 GLN 47 HE21 GLN 47 -17.969 -9.811 -1.095 240 H ASN 48 H ASN 48 -11.971 -7.067 -1.786 241 HA ASN 48 HA ASN 48 -9.718 -8.446 -0.524 242 HB2 ASN 48 HB2 ASN 48 -9.661 -6.723 -2.993 243 HB3 ASN 48 HB3 ASN 48 -8.232 -6.952 -2.000 244 HD21 ASN 48 HD22 ASN 48 -8.795 -9.704 -1.357 245 HD22 ASN 48 HD21 ASN 48 -8.501 -10.623 -2.791 246 H ASN 49 H ASN 49 -9.500 -7.481 1.384 247 HA ASN 49 HA ASN 49 -10.651 -4.853 1.808 248 HB2 ASN 49 HB2 ASN 49 -10.410 -5.286 4.154 249 HB3 ASN 49 HB3 ASN 49 -10.997 -6.763 3.399 250 HD21 ASN 49 HD22 ASN 49 -9.568 -6.353 5.924 251 HD22 ASN 49 HD21 ASN 49 -8.140 -7.327 5.824 252 H SER 50 H SER 50 -7.606 -6.034 1.047 253 HA SER 50 HA SER 50 -6.383 -3.465 1.614 254 HB2 SER 50 HB2 SER 50 -5.204 -6.048 2.682 255 HB3 SER 50 HB3 SER 50 -4.489 -4.441 2.822 256 HG SER 50 HG SER 50 -6.799 -4.084 3.834 257 H ILE 51 H ILE 51 -4.625 -3.027 0.258 258 HA ILE 51 HA ILE 51 -4.515 -4.561 -2.151 259 HB ILE 51 HB ILE 51 -2.691 -3.020 -2.838 260 HG12 ILE 51 HG12 ILE 51 -3.221 -1.636 -0.204 261 HG13 ILE 51 HG13 ILE 51 -1.810 -2.637 -0.526 262 HG21 ILE 51 HG21 ILE 51 -4.958 -2.471 -3.384 263 HG22 ILE 51 HG22 ILE 51 -4.122 -0.994 -2.906 264 HG23 ILE 51 HG23 ILE 51 -5.227 -1.784 -1.782 265 HD11 ILE 51 HD11 ILE 51 -2.542 -0.129 -2.017 266 HD12 ILE 51 HD12 ILE 51 -1.102 -1.116 -2.272 267 HD13 ILE 51 HD13 ILE 51 -1.325 -0.256 -0.747 268 H ALA 52 H ALA 52 -3.089 -4.962 0.821 269 HA ALA 52 HA ALA 52 -0.648 -6.224 0.060 270 HB1 ALA 52 HB1 ALA 52 -2.329 -6.692 2.526 271 HB2 ALA 52 HB2 ALA 52 -1.120 -5.418 2.358 272 HB3 ALA 52 HB3 ALA 52 -0.628 -7.111 2.316 273 H ASP 53 H ASP 53 -3.972 -7.141 0.184 274 HA ASP 53 HA ASP 53 -3.329 -9.962 -0.310 275 HB2 ASP 53 HB2 ASP 53 -4.956 -9.328 1.521 276 HB3 ASP 53 HB3 ASP 53 -6.035 -8.731 0.265 277 H SER 54 H SER 54 -4.235 -7.098 -1.842 278 HA SER 54 HA SER 54 -5.774 -8.312 -3.962 279 HB2 SER 54 HB2 SER 54 -4.718 -5.479 -3.805 280 HB3 SER 54 HB3 SER 54 -6.002 -6.080 -4.851 281 HG SER 54 HG SER 54 -6.110 -6.098 -2.011 282 H ASN 55 H ASN 55 -4.797 -9.416 -5.481 283 HA ASN 55 HA ASN 55 -2.029 -8.900 -6.206 284 HB2 ASN 55 HB2 ASN 55 -4.039 -10.973 -7.048 285 HB3 ASN 55 HB3 ASN 55 -2.442 -10.858 -7.780 286 HD21 ASN 55 HD22 ASN 55 -4.231 -11.656 -4.910 287 HD22 ASN 55 HD21 ASN 55 -2.939 -12.454 -4.088 288 H SER 56 H SER 56 -4.510 -7.215 -6.856 289 HA SER 56 HA SER 56 -4.919 -7.199 -9.622 290 HB2 SER 56 HB2 SER 56 -6.455 -6.079 -8.128 291 HB3 SER 56 HB3 SER 56 -5.195 -4.967 -7.596 292 HG SER 56 HG SER 56 -6.780 -4.902 -9.834 293 H MET 57 H MET 57 -3.973 -6.117 -11.278 294 HA MET 57 HA MET 57 -1.263 -5.638 -11.345 295 HB2 MET 57 HB2 MET 57 -3.071 -3.980 -13.058 296 HB3 MET 57 HB3 MET 57 -1.577 -4.793 -13.489 297 HG2 MET 57 HG2 MET 57 -2.715 -6.500 -14.286 298 HG3 MET 57 HG3 MET 57 -3.483 -6.744 -12.718 299 HE1 MET 57 HE1 MET 57 -6.586 -4.372 -12.979 300 HE2 MET 57 HE2 MET 57 -5.040 -4.313 -12.126 301 HE3 MET 57 HE3 MET 57 -6.004 -5.794 -12.115 302 H ILE 58 H ILE 58 -3.881 -3.322 -10.984 303 HA ILE 58 HA ILE 58 -2.141 -1.072 -10.738 304 HB ILE 58 HB ILE 58 -3.977 0.137 -11.150 305 HG12 ILE 58 HG12 ILE 58 -6.230 -0.445 -9.913 306 HG13 ILE 58 HG13 ILE 58 -5.157 -1.320 -8.827 307 HG21 ILE 58 HG21 ILE 58 -5.121 -2.624 -11.457 308 HG22 ILE 58 HG22 ILE 58 -4.455 -1.560 -12.703 309 HG23 ILE 58 HG23 ILE 58 -5.993 -1.165 -11.937 310 HD11 ILE 58 HD11 ILE 58 -5.202 1.616 -9.447 311 HD12 ILE 58 HD12 ILE 58 -3.846 0.828 -8.640 312 HD13 ILE 58 HD13 ILE 58 -5.444 0.814 -7.892 313 H ALA 59 H ALA 59 -3.753 -3.257 -8.530 314 HA ALA 59 HA ALA 59 -3.430 -1.803 -6.142 315 HB1 ALA 59 HB1 ALA 59 -4.817 -3.785 -6.218 316 HB2 ALA 59 HB2 ALA 59 -3.540 -4.011 -5.023 317 HB3 ALA 59 HB3 ALA 59 -3.417 -4.787 -6.600 318 H THR 60 H THR 60 -1.283 -3.995 -7.894 319 HA THR 60 HA THR 60 0.902 -3.879 -6.112 320 HB THR 60 HB THR 60 0.883 -4.307 -9.107 321 HG1 THR 60 HG1 THR 60 0.551 -6.408 -8.642 322 HG21 THR 60 HG21 THR 60 3.091 -3.709 -8.196 323 HG22 THR 60 HG22 THR 60 3.038 -5.369 -8.798 324 HG23 THR 60 HG23 THR 60 2.973 -5.058 -7.061 325 H ASP 61 H ASP 61 0.012 -1.938 -8.927 326 HA ASP 61 HA ASP 61 2.138 -0.187 -9.121 327 HB2 ASP 61 HB2 ASP 61 -0.060 -0.311 -10.505 328 HB3 ASP 61 HB3 ASP 61 -0.717 0.761 -9.281 329 H LEU 62 H LEU 62 -0.746 0.084 -7.092 330 HA LEU 62 HA LEU 62 -0.119 2.457 -5.744 331 HB2 LEU 62 HB2 LEU 62 -1.630 0.082 -4.648 332 HB3 LEU 62 HB3 LEU 62 -1.744 1.733 -4.082 333 HG LEU 62 HG LEU 62 -2.676 0.707 -6.761 334 HD11 LEU 62 HD11 LEU 62 -4.016 0.060 -4.754 335 HD12 LEU 62 HD12 LEU 62 -4.886 1.043 -5.933 336 HD13 LEU 62 HD13 LEU 62 -4.280 1.775 -4.447 337 HD21 LEU 62 HD21 LEU 62 -3.583 2.939 -7.085 338 HD22 LEU 62 HD22 LEU 62 -1.831 2.994 -6.901 339 HD23 LEU 62 HD23 LEU 62 -2.873 3.464 -5.557 340 H ARG 63 H ARG 63 0.781 -0.875 -5.116 341 HA ARG 63 HA ARG 63 1.871 -0.439 -2.542 342 HB2 ARG 63 HB2 ARG 63 2.213 -2.647 -4.554 343 HB3 ARG 63 HB3 ARG 63 3.013 -2.667 -2.987 344 HG2 ARG 63 HG2 ARG 63 0.750 -2.414 -1.939 345 HG3 ARG 63 HG3 ARG 63 0.061 -2.673 -3.542 346 HD2 ARG 63 HD2 ARG 63 1.986 -4.599 -2.289 347 HD3 ARG 63 HD3 ARG 63 0.252 -4.689 -2.002 348 HE ARG 63 HE ARG 63 0.314 -4.701 -4.660 349 HH11 ARG 63 HH11 ARG 63 2.260 -6.490 -2.367 350 HH12 ARG 63 HH12 ARG 63 2.536 -7.828 -3.443 351 HH21 ARG 63 HH22 ARG 63 0.684 -6.466 -6.093 352 HH22 ARG 63 HH21 ARG 63 1.629 -7.817 -5.543 353 H GLN 64 H GLN 64 3.151 -0.110 -5.766 354 HA GLN 64 HA GLN 64 5.881 0.085 -5.010 355 HB2 GLN 64 HB2 GLN 64 4.498 1.263 -7.418 356 HB3 GLN 64 HB3 GLN 64 6.233 1.050 -7.226 357 HG2 GLN 64 HG2 GLN 64 5.935 -1.365 -7.130 358 HG3 GLN 64 HG3 GLN 64 4.193 -1.163 -7.297 359 HE21 GLN 64 HE22 GLN 64 7.259 -1.108 -8.910 360 HE22 GLN 64 HE21 GLN 64 6.628 -1.019 -10.526 361 H LYS 65 H LYS 65 3.238 2.399 -5.279 362 HA LYS 65 HA LYS 65 4.687 4.751 -4.744 363 HB2 LYS 65 HB2 LYS 65 2.364 4.797 -5.474 364 HB3 LYS 65 HB3 LYS 65 1.854 4.038 -3.974 365 HG2 LYS 65 HG2 LYS 65 1.374 6.240 -3.535 366 HG3 LYS 65 HG3 LYS 65 3.005 6.115 -2.888 367 HD2 LYS 65 HD2 LYS 65 2.715 6.883 -5.740 368 HD3 LYS 65 HD3 LYS 65 2.304 8.085 -4.513 369 HE2 LYS 65 HE2 LYS 65 4.465 8.039 -3.603 370 HE3 LYS 65 HE3 LYS 65 4.884 6.561 -4.460 371 HZ1 LYS 65 HZ1 LYS 65 4.339 9.169 -5.771 372 HZ2 LYS 65 HZ2 LYS 65 4.902 7.756 -6.520 373 HZ3 LYS 65 HZ3 LYS 65 5.891 8.583 -5.422 374 H VAL 66 H VAL 66 3.066 2.448 -2.605 375 HA VAL 66 HA VAL 66 3.675 3.498 -0.117 376 HB VAL 66 HB VAL 66 3.514 0.608 -0.990 377 HG11 VAL 66 HG11 VAL 66 4.860 1.041 1.125 378 HG12 VAL 66 HG12 VAL 66 3.497 -0.071 1.257 379 HG13 VAL 66 HG13 VAL 66 3.346 1.587 1.844 380 HG21 VAL 66 HG21 VAL 66 1.294 0.689 -0.041 381 HG22 VAL 66 HG22 VAL 66 1.475 1.978 -1.230 382 HG23 VAL 66 HG23 VAL 66 1.549 2.351 0.491 383 H TYR 67 H TYR 67 5.716 1.517 -2.228 384 HA TYR 67 HA TYR 67 7.906 1.329 -0.442 385 HB2 TYR 67 HB2 TYR 67 7.579 -0.179 -2.366 386 HB3 TYR 67 HB3 TYR 67 7.890 1.162 -3.463 387 HD1 TYR 67 HD1 TYR 67 9.468 -0.788 -0.703 388 HD2 TYR 67 HD2 TYR 67 10.059 1.581 -4.185 389 HE1 TYR 67 HE1 TYR 67 11.874 -1.282 -0.622 390 HE2 TYR 67 HE2 TYR 67 12.468 1.092 -4.119 391 HH TYR 67 HH TYR 67 13.802 -1.299 -2.003 392 H GLU 68 H GLU 68 7.298 3.495 -3.221 393 HA GLU 68 HA GLU 68 9.619 5.020 -3.072 394 HB2 GLU 68 HB2 GLU 68 6.865 6.032 -3.799 395 HB3 GLU 68 HB3 GLU 68 8.399 6.749 -4.268 396 HG2 GLU 68 HG2 GLU 68 8.920 4.714 -5.552 397 HG3 GLU 68 HG3 GLU 68 7.334 4.073 -5.132 398 H LEU 69 H LEU 69 6.509 5.533 -1.459 399 HA LEU 69 HA LEU 69 7.157 7.954 -0.196 400 HB2 LEU 69 HB2 LEU 69 5.179 5.800 0.511 401 HB3 LEU 69 HB3 LEU 69 5.267 7.333 1.346 402 HG LEU 69 HG LEU 69 4.636 6.952 -1.582 403 HD11 LEU 69 HD11 LEU 69 2.911 6.349 0.227 404 HD12 LEU 69 HD12 LEU 69 2.420 7.419 -1.080 405 HD13 LEU 69 HD13 LEU 69 2.814 8.085 0.506 406 HD21 LEU 69 HD21 LEU 69 4.445 9.260 -1.802 407 HD22 LEU 69 HD22 LEU 69 5.911 9.072 -0.838 408 HD23 LEU 69 HD23 LEU 69 4.395 9.522 -0.060 409 H MET 70 H MET 70 7.845 4.639 0.714 410 HA MET 70 HA MET 70 8.555 5.019 3.398 411 HB2 MET 70 HB2 MET 70 9.737 3.139 1.344 412 HB3 MET 70 HB3 MET 70 10.108 3.073 3.060 413 HG2 MET 70 HG2 MET 70 7.780 2.582 3.554 414 HG3 MET 70 HG3 MET 70 7.385 2.683 1.838 415 HE1 MET 70 HE1 MET 70 7.010 -1.103 2.293 416 HE2 MET 70 HE2 MET 70 6.265 0.435 1.854 417 HE3 MET 70 HE3 MET 70 6.609 0.073 3.547 418 H GLN 71 H GLN 71 10.604 5.190 0.480 419 HA GLN 71 HA GLN 71 12.909 5.981 1.988 420 HB2 GLN 71 HB2 GLN 71 13.815 6.493 -0.390 421 HB3 GLN 71 HB3 GLN 71 13.513 4.823 0.074 422 HG2 GLN 71 HG2 GLN 71 11.469 4.785 -1.153 423 HG3 GLN 71 HG3 GLN 71 11.570 6.514 -1.473 424 HE21 GLN 71 HE22 GLN 71 14.382 6.536 -2.073 425 HE22 GLN 71 HE21 GLN 71 14.558 5.782 -3.626 426 H GLU 72 H GLU 72 10.260 7.636 0.565 427 HA GLU 72 HA GLU 72 11.517 10.194 0.401 428 HB2 GLU 72 HB2 GLU 72 8.600 9.455 0.627 429 HB3 GLU 72 HB3 GLU 72 9.192 11.082 0.321 430 HG2 GLU 72 HG2 GLU 72 10.320 10.163 -1.728 431 HG3 GLU 72 HG3 GLU 72 9.425 8.673 -1.444 432 H GLY 73 H GLY 73 9.947 8.363 2.916 433 HA2 GLY 73 HA2 GLY 73 10.602 8.720 5.187 434 HA3 GLY 73 HA3 GLY 73 10.853 10.420 4.815 435 H LYS 74 H LYS 74 8.053 8.793 3.627 436 HA LYS 74 HA LYS 74 6.297 10.590 4.988 437 HB2 LYS 74 HB2 LYS 74 5.496 8.039 3.606 438 HB3 LYS 74 HB3 LYS 74 4.540 9.492 3.825 439 HG2 LYS 74 HG2 LYS 74 7.035 9.444 2.146 440 HG3 LYS 74 HG3 LYS 74 5.435 9.072 1.504 441 HD2 LYS 74 HD2 LYS 74 4.667 11.218 1.811 442 HD3 LYS 74 HD3 LYS 74 5.902 11.613 3.015 443 HE2 LYS 74 HE2 LYS 74 7.573 11.344 1.122 444 HE3 LYS 74 HE3 LYS 74 6.186 11.332 0.035 445 HZ1 LYS 74 HZ1 LYS 74 7.224 13.540 0.296 446 HZ2 LYS 74 HZ2 LYS 74 6.797 13.530 1.937 447 HZ3 LYS 74 HZ3 LYS 74 5.590 13.528 0.745 448 H SER 75 H SER 75 4.632 9.943 6.450 449 HA SER 75 HA SER 75 5.493 7.907 8.350 450 HB2 SER 75 HB2 SER 75 3.279 9.965 8.516 451 HB3 SER 75 HB3 SER 75 3.805 8.919 9.837 452 HG SER 75 HG SER 75 5.922 9.912 9.556 453 H LYS 76 H LYS 76 3.545 6.604 9.362 454 HA LYS 76 HA LYS 76 2.644 4.895 7.344 455 HB2 LYS 76 HB2 LYS 76 2.006 5.216 10.224 456 HB3 LYS 76 HB3 LYS 76 0.910 4.247 9.250 457 HG2 LYS 76 HG2 LYS 76 2.495 2.790 10.251 458 HG3 LYS 76 HG3 LYS 76 2.852 2.873 8.533 459 HD2 LYS 76 HD2 LYS 76 4.276 4.735 10.360 460 HD3 LYS 76 HD3 LYS 76 4.752 3.039 10.370 461 HE2 LYS 76 HE2 LYS 76 5.116 3.155 7.941 462 HE3 LYS 76 HE3 LYS 76 4.682 4.866 7.965 463 HZ1 LYS 76 HZ1 LYS 76 7.083 4.582 8.003 464 HZ2 LYS 76 HZ2 LYS 76 6.977 3.630 9.405 465 HZ3 LYS 76 HZ3 LYS 76 6.551 5.271 9.457 466 H LYS 77 H LYS 77 0.733 7.243 9.233 467 HA LYS 77 HA LYS 77 -1.621 7.025 7.683 468 HB2 LYS 77 HB2 LYS 77 -0.702 9.520 9.121 469 HB3 LYS 77 HB3 LYS 77 -2.353 9.009 8.794 470 HG2 LYS 77 HG2 LYS 77 -0.417 7.694 10.677 471 HG3 LYS 77 HG3 LYS 77 -1.814 8.681 11.124 472 HD2 LYS 77 HD2 LYS 77 -3.312 7.054 10.114 473 HD3 LYS 77 HD3 LYS 77 -1.927 6.091 9.587 474 HE2 LYS 77 HE2 LYS 77 -1.321 5.624 11.868 475 HE3 LYS 77 HE3 LYS 77 -2.574 6.715 12.464 476 HZ1 LYS 77 HZ1 LYS 77 -4.254 5.271 11.792 477 HZ2 LYS 77 HZ2 LYS 77 -3.088 4.240 12.460 478 HZ3 LYS 77 HZ3 LYS 77 -3.236 4.378 10.773 479 H GLU 78 H GLU 78 1.230 9.029 7.429 480 HA GLU 78 HA GLU 78 0.356 10.779 5.424 481 HB2 GLU 78 HB2 GLU 78 2.308 11.233 6.754 482 HB3 GLU 78 HB3 GLU 78 3.127 9.812 6.128 483 HG2 GLU 78 HG2 GLU 78 4.053 11.702 5.055 484 HG3 GLU 78 HG3 GLU 78 3.047 10.868 3.874 485 H ILE 79 H ILE 79 1.973 7.597 5.160 486 HA ILE 79 HA ILE 79 2.263 7.625 2.362 487 HB ILE 79 HB ILE 79 2.155 5.414 4.368 488 HG12 ILE 79 HG12 ILE 79 4.236 4.998 2.587 489 HG13 ILE 79 HG13 ILE 79 4.133 6.750 2.677 490 HG21 ILE 79 HG21 ILE 79 0.807 4.899 2.171 491 HG22 ILE 79 HG22 ILE 79 1.896 3.698 2.867 492 HG23 ILE 79 HG23 ILE 79 2.420 4.673 1.493 493 HD11 ILE 79 HD11 ILE 79 4.343 4.964 5.089 494 HD12 ILE 79 HD12 ILE 79 4.536 6.716 5.026 495 HD13 ILE 79 HD13 ILE 79 5.734 5.673 4.266 496 H VAL 80 H VAL 80 -0.385 6.281 4.359 497 HA VAL 80 HA VAL 80 -1.911 5.517 2.091 498 HB VAL 80 HB VAL 80 -2.403 4.311 4.050 499 HG11 VAL 80 HG11 VAL 80 -2.979 6.929 5.416 500 HG12 VAL 80 HG12 VAL 80 -1.592 5.883 5.709 501 HG13 VAL 80 HG13 VAL 80 -3.214 5.333 6.128 502 HG21 VAL 80 HG21 VAL 80 -4.353 4.799 2.681 503 HG22 VAL 80 HG22 VAL 80 -4.640 6.258 3.627 504 HG23 VAL 80 HG23 VAL 80 -4.792 4.674 4.388 505 H ASP 81 H ASP 81 -1.839 8.402 4.097 506 HA ASP 81 HA ASP 81 -4.113 9.666 3.002 507 HB2 ASP 81 HB2 ASP 81 -2.953 10.392 5.079 508 HB3 ASP 81 HB3 ASP 81 -1.610 10.967 4.100 509 H TYR 82 H TYR 82 -0.726 9.586 2.083 510 HA TYR 82 HA TYR 82 -0.822 11.397 -0.069 511 HB2 TYR 82 HB2 TYR 82 1.185 10.029 1.109 512 HB3 TYR 82 HB3 TYR 82 0.940 9.019 -0.306 513 HD1 TYR 82 HD2 TYR 82 1.354 9.895 -2.558 514 HD2 TYR 82 HD1 TYR 82 2.106 12.248 0.906 515 HE1 TYR 82 HE2 TYR 82 2.695 11.450 -3.909 516 HE2 TYR 82 HE1 TYR 82 3.447 13.808 -0.436 517 HH TYR 82 HH TYR 82 4.722 13.804 -2.522 518 H MET 83 H MET 83 -1.357 7.943 0.199 519 HA MET 83 HA MET 83 -1.701 7.284 -2.488 520 HB2 MET 83 HB2 MET 83 -3.017 6.117 -0.028 521 HB3 MET 83 HB3 MET 83 -3.073 5.383 -1.624 522 HG2 MET 83 HG2 MET 83 -0.567 5.923 -0.058 523 HG3 MET 83 HG3 MET 83 -1.398 4.374 -0.142 524 HE1 MET 83 HE1 MET 83 -1.748 3.041 -2.449 525 HE2 MET 83 HE2 MET 83 -1.091 3.592 -3.990 526 HE3 MET 83 HE3 MET 83 -2.378 4.505 -3.201 527 H VAL 84 H VAL 84 -4.219 8.019 -0.065 528 HA VAL 84 HA VAL 84 -6.316 7.985 -1.966 529 HB VAL 84 HB VAL 84 -7.775 8.796 -0.310 530 HG11 VAL 84 HG11 VAL 84 -5.599 7.244 1.051 531 HG12 VAL 84 HG12 VAL 84 -6.958 6.585 0.150 532 HG13 VAL 84 HG13 VAL 84 -7.235 7.447 1.662 533 HG21 VAL 84 HG21 VAL 84 -6.925 10.772 0.524 534 HG22 VAL 84 HG22 VAL 84 -5.361 10.060 0.920 535 HG23 VAL 84 HG23 VAL 84 -6.773 9.690 1.908 536 H ALA 85 H ALA 85 -4.135 10.487 -0.936 537 HA ALA 85 HA ALA 85 -5.627 12.672 -1.901 538 HB1 ALA 85 HB1 ALA 85 -3.393 13.851 -1.823 539 HB2 ALA 85 HB2 ALA 85 -2.707 12.316 -1.287 540 HB3 ALA 85 HB3 ALA 85 -3.938 13.121 -0.312 541 H ARG 86 H ARG 86 -2.911 10.829 -3.305 542 HA ARG 86 HA ARG 86 -3.152 12.311 -5.799 543 HB2 ARG 86 HB2 ARG 86 -1.176 10.354 -4.703 544 HB3 ARG 86 HB3 ARG 86 -1.237 10.628 -6.438 545 HG2 ARG 86 HG2 ARG 86 0.450 12.035 -5.542 546 HG3 ARG 86 HG3 ARG 86 -0.916 13.064 -5.973 547 HD2 ARG 86 HD2 ARG 86 -1.647 12.950 -3.586 548 HD3 ARG 86 HD3 ARG 86 -0.145 12.105 -3.224 549 HE ARG 86 HE ARG 86 0.767 14.320 -4.427 550 HH11 ARG 86 HH11 ARG 86 -1.520 13.846 -1.821 551 HH12 ARG 86 HH12 ARG 86 -1.261 15.411 -1.120 552 HH21 ARG 86 HH22 ARG 86 1.141 16.373 -3.490 553 HH22 ARG 86 HH21 ARG 86 0.267 16.844 -2.065 554 H TYR 87 H TYR 87 -3.550 8.985 -4.670 555 HA TYR 87 HA TYR 87 -4.484 8.157 -7.323 556 HB2 TYR 87 HB2 TYR 87 -3.661 6.587 -4.884 557 HB3 TYR 87 HB3 TYR 87 -4.346 5.851 -6.325 558 HD1 TYR 87 HD1 TYR 87 -1.400 7.599 -4.951 559 HD2 TYR 87 HD2 TYR 87 -3.039 5.545 -8.300 560 HE1 TYR 87 HE1 TYR 87 0.856 7.392 -5.922 561 HE2 TYR 87 HE2 TYR 87 -0.799 5.342 -9.280 562 HH TYR 87 HH TYR 87 1.334 6.096 -9.161 563 H GLY 88 H GLY 88 -6.129 9.816 -5.574 564 HA2 GLY 88 HA2 GLY 88 -8.007 8.137 -4.220 565 HA3 GLY 88 HA3 GLY 88 -8.164 9.866 -4.483 566 H ASN 89 H ASN 89 -7.596 8.141 -7.342 567 HA ASN 89 HA ASN 89 -10.384 8.373 -8.134 568 HB2 ASN 89 HB2 ASN 89 -7.951 7.523 -9.725 569 HB3 ASN 89 HB3 ASN 89 -9.563 7.774 -10.383 570 HD21 ASN 89 HD22 ASN 89 -10.125 10.110 -8.761 571 HD22 ASN 89 HD21 ASN 89 -9.162 11.394 -9.410 572 H PHE 90 H PHE 90 -8.343 6.172 -6.738 573 HA PHE 90 HA PHE 90 -10.168 3.964 -7.338 574 HB2 PHE 90 HB2 PHE 90 -8.192 3.664 -8.781 575 HB3 PHE 90 HB3 PHE 90 -7.144 3.735 -7.368 576 HD1 PHE 90 HD1 PHE 90 -7.059 1.876 -5.794 577 HD2 PHE 90 HD2 PHE 90 -9.476 1.699 -9.289 578 HE1 PHE 90 HE1 PHE 90 -7.262 -0.561 -5.522 579 HE2 PHE 90 HE2 PHE 90 -9.684 -0.738 -9.026 580 HZ PHE 90 HZ PHE 90 -8.577 -1.871 -7.138 581 H VAL 91 H VAL 91 -7.597 5.251 -5.266 582 HA VAL 91 HA VAL 91 -8.275 3.296 -3.204 583 HB VAL 91 HB VAL 91 -6.152 3.430 -2.496 584 HG11 VAL 91 HG11 VAL 91 -5.656 5.174 -4.902 585 HG12 VAL 91 HG12 VAL 91 -5.919 3.422 -4.975 586 HG13 VAL 91 HG13 VAL 91 -4.520 4.069 -4.113 587 HG21 VAL 91 HG21 VAL 91 -6.500 5.514 -1.329 588 HG22 VAL 91 HG22 VAL 91 -6.255 6.422 -2.820 589 HG23 VAL 91 HG23 VAL 91 -4.917 5.520 -2.107 590 H THR 92 H THR 92 -8.604 3.983 -0.983 591 HA THR 92 HA THR 92 -9.349 6.743 -0.489 592 HB THR 92 HB THR 92 -11.383 4.494 -0.377 593 HG1 THR 92 HG1 THR 92 -10.743 6.308 -2.278 594 HG21 THR 92 HG21 THR 92 -11.657 6.013 1.518 595 HG22 THR 92 HG22 THR 92 -12.988 6.176 0.369 596 HG23 THR 92 HG23 THR 92 -11.710 7.391 0.414 597 H TYR 93 H TYR 93 -9.546 7.207 1.777 598 HA TYR 93 HA TYR 93 -8.614 5.004 3.500 599 HB2 TYR 93 HB2 TYR 93 -7.159 7.055 3.304 600 HB3 TYR 93 HB3 TYR 93 -8.452 7.978 4.057 601 HD1 TYR 93 HD1 TYR 93 -7.099 4.601 4.842 602 HD2 TYR 93 HD2 TYR 93 -7.665 8.600 6.165 603 HE1 TYR 93 HE1 TYR 93 -6.171 3.996 7.034 604 HE2 TYR 93 HE2 TYR 93 -6.745 8.006 8.366 605 HH TYR 93 HH TYR 93 -5.101 5.050 8.933 606 H ASP 94 H ASP 94 -10.298 4.077 4.429 607 HA ASP 94 HA ASP 94 -12.322 5.565 5.839 608 HB2 ASP 94 HB2 ASP 94 -12.749 4.689 3.090 609 HB3 ASP 94 HB3 ASP 94 -13.923 3.980 4.191 610 HA PRO 95 HA PRO 95 -12.839 1.752 8.183 611 HB2 PRO 95 HB3 PRO 95 -15.624 1.473 7.832 612 HB3 PRO 95 HB2 PRO 95 -14.809 2.271 9.179 613 HG2 PRO 95 HG2 PRO 95 -16.020 3.450 6.727 614 HG3 PRO 95 HG3 PRO 95 -15.954 4.100 8.375 615 HD2 PRO 95 HD2 PRO 95 -14.366 5.060 6.466 616 HD3 PRO 95 HD3 PRO 95 -13.762 4.846 8.123 617 HA PRO 96 HA PRO 96 -12.866 -1.124 4.836 618 HB2 PRO 96 HB3 PRO 96 -12.235 -3.319 6.454 619 HB3 PRO 96 HB2 PRO 96 -11.090 -2.211 5.702 620 HG2 PRO 96 HG2 PRO 96 -11.635 -2.517 8.471 621 HG3 PRO 96 HG3 PRO 96 -10.568 -1.334 7.703 622 HD2 PRO 96 HD2 PRO 96 -13.306 -1.007 8.738 623 HD3 PRO 96 HD3 PRO 96 -12.040 0.208 8.473 624 H LEU 97 H LEU 97 -13.418 -3.878 5.183 625 HA LEU 97 HA LEU 97 -16.287 -3.741 4.883 626 HB2 LEU 97 HB2 LEU 97 -14.290 -5.963 4.533 627 HB3 LEU 97 HB3 LEU 97 -16.013 -6.206 4.335 628 HG LEU 97 HG LEU 97 -15.107 -5.962 2.163 629 HD11 LEU 97 HD11 LEU 97 -16.324 -3.320 2.940 630 HD12 LEU 97 HD12 LEU 97 -17.213 -4.787 2.532 631 HD13 LEU 97 HD13 LEU 97 -16.225 -3.985 1.310 632 HD21 LEU 97 HD21 LEU 97 -12.968 -4.957 2.733 633 HD22 LEU 97 HD22 LEU 97 -13.772 -3.433 3.111 634 HD23 LEU 97 HD23 LEU 97 -13.770 -4.041 1.456 635 H THR 98 H THR 98 -14.523 -3.847 7.508 636 HA THR 98 HA THR 98 -15.343 -6.000 9.046 637 HB THR 98 HB THR 98 -13.598 -4.367 9.719 638 HG1 THR 98 HG1 THR 98 -15.747 -4.924 11.498 639 HG21 THR 98 HG21 THR 98 -14.237 -2.258 10.777 640 HG22 THR 98 HG22 THR 98 -15.924 -2.556 10.362 641 HG23 THR 98 HG23 THR 98 -14.735 -2.301 9.085 642 HA PRO 99 HA PRO 99 -19.728 -5.231 9.485 643 HB2 PRO 99 HB3 PRO 99 -20.157 -6.982 11.540 644 HB3 PRO 99 HB2 PRO 99 -20.022 -7.470 9.848 645 HG2 PRO 99 HG2 PRO 99 -17.976 -7.579 12.022 646 HG3 PRO 99 HG3 PRO 99 -18.317 -8.759 10.743 647 HD2 PRO 99 HD2 PRO 99 -16.231 -7.030 10.629 648 HD3 PRO 99 HD3 PRO 99 -17.078 -7.605 9.179 Start of MODEL 17 1 H THR 19 H1 THR 19 13.804 -12.774 -4.206 2 HA THR 19 HA THR 19 12.889 -12.330 -6.372 3 HB THR 19 HB THR 19 11.573 -14.829 -5.301 4 HG1 THR 19 HG1 THR 19 13.927 -15.568 -5.952 5 HG21 THR 19 HG21 THR 19 12.988 -14.186 -7.896 6 HG22 THR 19 HG22 THR 19 11.247 -14.354 -7.675 7 HG23 THR 19 HG23 THR 19 12.300 -15.753 -7.469 8 H ILE 20 H ILE 20 11.422 -10.450 -5.836 9 HA ILE 20 HA ILE 20 8.691 -11.293 -6.458 10 HB ILE 20 HB ILE 20 8.345 -10.853 -4.210 11 HG12 ILE 20 HG12 ILE 20 6.973 -8.909 -4.049 12 HG13 ILE 20 HG13 ILE 20 7.863 -8.089 -5.323 13 HG21 ILE 20 HG21 ILE 20 10.124 -8.433 -4.392 14 HG22 ILE 20 HG22 ILE 20 10.547 -9.989 -3.677 15 HG23 ILE 20 HG23 ILE 20 9.285 -8.997 -2.947 16 HD11 ILE 20 HD11 ILE 20 6.272 -10.586 -5.801 17 HD12 ILE 20 HD12 ILE 20 6.916 -9.442 -6.984 18 HD13 ILE 20 HD13 ILE 20 5.584 -8.963 -5.922 19 H ASP 21 H ASP 21 10.176 -8.096 -5.884 20 HA ASP 21 HA ASP 21 9.826 -7.487 -8.705 21 HB2 ASP 21 HB2 ASP 21 7.706 -6.898 -7.291 22 HB3 ASP 21 HB3 ASP 21 8.685 -5.570 -6.687 23 H VAL 22 H VAL 22 10.278 -4.679 -8.450 24 HA VAL 22 HA VAL 22 13.080 -4.594 -7.860 25 HB VAL 22 HB VAL 22 11.933 -3.125 -9.556 26 HG11 VAL 22 HG11 VAL 22 9.989 -2.555 -8.077 27 HG12 VAL 22 HG12 VAL 22 10.733 -1.178 -8.892 28 HG13 VAL 22 HG13 VAL 22 11.066 -1.479 -7.186 29 HG21 VAL 22 HG21 VAL 22 14.191 -2.644 -8.746 30 HG22 VAL 22 HG22 VAL 22 13.513 -1.677 -7.432 31 HG23 VAL 22 HG23 VAL 22 13.306 -1.163 -9.108 32 H LEU 23 H LEU 23 10.242 -4.301 -6.069 33 HA LEU 23 HA LEU 23 10.980 -2.482 -4.057 34 HB2 LEU 23 HB2 LEU 23 9.125 -4.794 -3.594 35 HB3 LEU 23 HB3 LEU 23 9.028 -3.163 -2.959 36 HG LEU 23 HG LEU 23 8.458 -4.005 -5.801 37 HD11 LEU 23 HD11 LEU 23 6.633 -3.035 -3.617 38 HD12 LEU 23 HD12 LEU 23 6.712 -4.669 -4.269 39 HD13 LEU 23 HD13 LEU 23 6.162 -3.339 -5.287 40 HD21 LEU 23 HD21 LEU 23 9.343 -1.851 -6.002 41 HD22 LEU 23 HD22 LEU 23 8.570 -1.295 -4.522 42 HD23 LEU 23 HD23 LEU 23 7.597 -1.611 -5.954 43 H GLN 24 H GLN 24 12.689 -2.735 -2.780 44 HA GLN 24 HA GLN 24 13.442 -5.426 -1.912 45 HB2 GLN 24 HB2 GLN 24 15.029 -2.862 -1.812 46 HB3 GLN 24 HB3 GLN 24 15.617 -4.453 -1.358 47 HG2 GLN 24 HG2 GLN 24 14.716 -3.659 -4.114 48 HG3 GLN 24 HG3 GLN 24 16.392 -3.749 -3.577 49 HE21 GLN 24 HE22 GLN 24 13.594 -5.520 -4.561 50 HE22 GLN 24 HE21 GLN 24 14.355 -7.069 -4.663 51 H PHE 25 H PHE 25 14.040 -5.743 0.317 52 HA PHE 25 HA PHE 25 12.942 -3.748 2.175 53 HB2 PHE 25 HB2 PHE 25 12.363 -6.714 2.393 54 HB3 PHE 25 HB3 PHE 25 11.770 -5.445 3.466 55 HD1 PHE 25 HD1 PHE 25 10.239 -3.667 2.471 56 HD2 PHE 25 HD2 PHE 25 11.141 -7.336 0.512 57 HE1 PHE 25 HE1 PHE 25 8.224 -3.417 1.075 58 HE2 PHE 25 HE2 PHE 25 9.134 -7.091 -0.886 59 HZ PHE 25 HZ PHE 25 7.696 -5.071 -0.627 60 H LYS 26 H LYS 26 14.252 -3.259 3.684 61 HA LYS 26 HA LYS 26 16.816 -4.115 4.029 62 HB2 LYS 26 HB2 LYS 26 16.521 -2.167 5.148 63 HB3 LYS 26 HB3 LYS 26 14.862 -2.544 5.560 64 HG2 LYS 26 HG2 LYS 26 16.762 -4.176 7.029 65 HG3 LYS 26 HG3 LYS 26 16.991 -2.447 7.293 66 HD2 LYS 26 HD2 LYS 26 14.247 -3.641 7.422 67 HD3 LYS 26 HD3 LYS 26 15.336 -3.759 8.812 68 HE2 LYS 26 HE2 LYS 26 15.596 -1.292 8.732 69 HE3 LYS 26 HE3 LYS 26 14.390 -1.241 7.449 70 HZ1 LYS 26 HZ1 LYS 26 13.559 -0.783 9.748 71 HZ2 LYS 26 HZ2 LYS 26 13.864 -2.410 10.124 72 HZ3 LYS 26 HZ3 LYS 26 12.730 -2.011 8.925 73 H ASP 27 H ASP 27 13.919 -5.301 5.547 74 HA ASP 27 HA ASP 27 15.062 -7.856 6.087 75 HB2 ASP 27 HB2 ASP 27 15.602 -6.153 8.095 76 HB3 ASP 27 HB3 ASP 27 13.952 -6.566 8.548 77 H GLU 28 H GLU 28 13.075 -8.925 7.679 78 HA GLU 28 HA GLU 28 10.854 -8.812 5.903 79 HB2 GLU 28 HB2 GLU 28 9.880 -10.489 7.152 80 HB3 GLU 28 HB3 GLU 28 11.572 -10.727 7.546 81 HG2 GLU 28 HG2 GLU 28 9.753 -9.102 9.285 82 HG3 GLU 28 HG3 GLU 28 9.875 -10.850 9.437 83 H ALA 29 H ALA 29 11.749 -7.133 8.788 84 HA ALA 29 HA ALA 29 9.309 -6.057 9.597 85 HB1 ALA 29 HB1 ALA 29 10.552 -4.458 10.816 86 HB2 ALA 29 HB2 ALA 29 11.927 -4.587 9.716 87 HB3 ALA 29 HB3 ALA 29 11.528 -5.929 10.793 88 H GLN 30 H GLN 30 11.559 -4.982 7.079 89 HA GLN 30 HA GLN 30 10.229 -2.507 6.615 90 HB2 GLN 30 HB2 GLN 30 12.602 -3.230 5.775 91 HB3 GLN 30 HB3 GLN 30 11.717 -3.957 4.441 92 HG2 GLN 30 HG2 GLN 30 10.820 -1.896 3.773 93 HG3 GLN 30 HG3 GLN 30 11.356 -1.096 5.246 94 HE21 GLN 30 HE22 GLN 30 12.213 -2.154 2.079 95 HE22 GLN 30 HE21 GLN 30 13.780 -1.419 2.034 96 H GLU 31 H GLU 31 9.865 -5.767 5.565 97 HA GLU 31 HA GLU 31 7.896 -5.199 3.550 98 HB2 GLU 31 HB2 GLU 31 9.366 -7.145 3.379 99 HB3 GLU 31 HB3 GLU 31 8.732 -7.778 4.883 100 HG2 GLU 31 HG2 GLU 31 6.536 -8.039 3.859 101 HG3 GLU 31 HG3 GLU 31 7.156 -7.372 2.353 102 H GLN 32 H GLN 32 7.920 -5.904 6.972 103 HA GLN 32 HA GLN 32 5.146 -6.480 7.262 104 HB2 GLN 32 HB2 GLN 32 7.097 -5.320 9.268 105 HB3 GLN 32 HB3 GLN 32 5.525 -6.015 9.652 106 HG2 GLN 32 HG2 GLN 32 6.322 -8.176 8.757 107 HG3 GLN 32 HG3 GLN 32 7.907 -7.452 8.508 108 HE21 GLN 32 HE22 GLN 32 7.110 -9.698 10.153 109 HE22 GLN 32 HE21 GLN 32 7.607 -9.314 11.769 110 H GLN 33 H GLN 33 7.074 -3.494 7.457 111 HA GLN 33 HA GLN 33 4.933 -1.743 7.987 112 HB2 GLN 33 HB2 GLN 33 7.304 -1.027 8.029 113 HB3 GLN 33 HB3 GLN 33 7.373 -1.194 6.285 114 HG2 GLN 33 HG2 GLN 33 5.784 0.571 5.992 115 HG3 GLN 33 HG3 GLN 33 5.500 0.654 7.734 116 HE21 GLN 33 HE22 GLN 33 7.082 1.513 9.075 117 HE22 GLN 33 HE21 GLN 33 8.341 2.543 8.462 118 H PHE 34 H PHE 34 6.274 -3.027 5.008 119 HA PHE 34 HA PHE 34 4.608 -1.770 3.163 120 HB2 PHE 34 HB2 PHE 34 6.648 -3.118 2.645 121 HB3 PHE 34 HB3 PHE 34 5.744 -4.577 3.017 122 HD1 PHE 34 HD1 PHE 34 5.897 -1.682 0.717 123 HD2 PHE 34 HD2 PHE 34 4.414 -5.609 1.396 124 HE1 PHE 34 HE1 PHE 34 5.123 -1.788 -1.616 125 HE2 PHE 34 HE2 PHE 34 3.639 -5.726 -0.937 126 HZ PHE 34 HZ PHE 34 4.062 -3.836 -2.463 127 H ARG 35 H ARG 35 4.141 -4.607 5.178 128 HA ARG 35 HA ARG 35 1.694 -5.516 4.142 129 HB2 ARG 35 HB2 ARG 35 3.275 -5.904 6.576 130 HB3 ARG 35 HB3 ARG 35 1.548 -6.032 6.850 131 HG2 ARG 35 HG2 ARG 35 2.607 -8.186 6.416 132 HG3 ARG 35 HG3 ARG 35 1.371 -7.792 5.217 133 HD2 ARG 35 HD2 ARG 35 3.675 -6.755 4.137 134 HD3 ARG 35 HD3 ARG 35 4.228 -8.242 4.903 135 HE ARG 35 HE ARG 35 1.924 -8.271 3.074 136 HH11 ARG 35 HH11 ARG 35 5.099 -9.429 3.988 137 HH12 ARG 35 HH12 ARG 35 5.176 -10.609 2.719 138 HH21 ARG 35 HH22 ARG 35 2.017 -9.811 1.399 139 HH22 ARG 35 HH21 ARG 35 3.429 -10.820 1.232 140 H GLN 36 H GLN 36 2.360 -3.289 6.851 141 HA GLN 36 HA GLN 36 -0.384 -2.853 7.447 142 HB2 GLN 36 HB2 GLN 36 1.963 -1.058 8.112 143 HB3 GLN 36 HB3 GLN 36 0.390 -1.061 8.896 144 HG2 GLN 36 HG2 GLN 36 0.803 -3.304 9.749 145 HG3 GLN 36 HG3 GLN 36 2.378 -3.320 8.955 146 HE21 GLN 36 HE22 GLN 36 2.849 -0.488 9.561 147 HE22 GLN 36 HE21 GLN 36 3.232 -0.420 11.243 148 H LEU 37 H LEU 37 2.011 -1.050 5.596 149 HA LEU 37 HA LEU 37 0.412 1.208 5.120 150 HB2 LEU 37 HB2 LEU 37 2.748 0.099 3.565 151 HB3 LEU 37 HB3 LEU 37 2.035 1.677 3.281 152 HG LEU 37 HG LEU 37 3.487 0.747 5.757 153 HD11 LEU 37 HD11 LEU 37 5.018 1.287 4.025 154 HD12 LEU 37 HD12 LEU 37 4.997 2.643 5.154 155 HD13 LEU 37 HD13 LEU 37 4.134 2.761 3.620 156 HD21 LEU 37 HD21 LEU 37 3.208 3.200 6.420 157 HD22 LEU 37 HD22 LEU 37 1.819 2.131 6.626 158 HD23 LEU 37 HD23 LEU 37 1.888 3.233 5.251 159 H THR 38 H THR 38 0.410 -1.939 3.658 160 HA THR 38 HA THR 38 -1.214 -0.961 1.439 161 HB THR 38 HB THR 38 -1.162 -3.389 0.693 162 HG1 THR 38 HG1 THR 38 1.038 -3.584 2.485 163 HG21 THR 38 HG21 THR 38 1.267 -1.653 0.862 164 HG22 THR 38 HG22 THR 38 0.180 -1.896 -0.498 165 HG23 THR 38 HG23 THR 38 1.288 -3.179 -0.008 166 H GLU 39 H GLU 39 -1.569 -2.553 4.503 167 HA GLU 39 HA GLU 39 -4.183 -3.609 3.740 168 HB2 GLU 39 HB2 GLU 39 -2.452 -4.091 6.148 169 HB3 GLU 39 HB3 GLU 39 -4.099 -4.698 6.015 170 HG2 GLU 39 HG2 GLU 39 -3.456 -5.892 3.956 171 HG3 GLU 39 HG3 GLU 39 -1.798 -5.344 4.190 172 H GLU 40 H GLU 40 -2.817 -1.046 5.637 173 HA GLU 40 HA GLU 40 -5.292 -0.543 7.058 174 HB2 GLU 40 HB2 GLU 40 -2.947 -0.040 7.935 175 HB3 GLU 40 HB3 GLU 40 -2.930 1.323 6.825 176 HG2 GLU 40 HG2 GLU 40 -4.691 2.400 7.968 177 HG3 GLU 40 HG3 GLU 40 -5.072 0.952 8.897 178 H LEU 41 H LEU 41 -4.518 -0.306 3.988 179 HA LEU 41 HA LEU 41 -5.812 2.250 3.441 180 HB2 LEU 41 HB2 LEU 41 -3.852 1.918 2.157 181 HB3 LEU 41 HB3 LEU 41 -4.296 0.274 1.755 182 HG LEU 41 HG LEU 41 -6.054 1.064 0.278 183 HD11 LEU 41 HD11 LEU 41 -6.802 3.026 1.371 184 HD12 LEU 41 HD12 LEU 41 -6.178 3.520 -0.210 185 HD13 LEU 41 HD13 LEU 41 -5.209 3.784 1.242 186 HD21 LEU 41 HD21 LEU 41 -3.920 0.769 -0.736 187 HD22 LEU 41 HD22 LEU 41 -3.355 2.324 -0.129 188 HD23 LEU 41 HD23 LEU 41 -4.601 2.266 -1.374 189 H ARG 42 H ARG 42 -7.849 2.405 2.651 190 HA ARG 42 HA ARG 42 -9.402 -0.049 2.591 191 HB2 ARG 42 HB2 ARG 42 -10.034 2.303 3.718 192 HB3 ARG 42 HB3 ARG 42 -10.685 2.591 2.114 193 HG2 ARG 42 HG2 ARG 42 -11.778 0.206 2.530 194 HG3 ARG 42 HG3 ARG 42 -11.588 0.713 4.210 195 HD2 ARG 42 HD2 ARG 42 -12.842 2.742 3.763 196 HD3 ARG 42 HD3 ARG 42 -13.000 2.293 2.068 197 HE ARG 42 HE ARG 42 -14.041 0.212 3.591 198 HH11 ARG 42 HH11 ARG 42 -14.722 3.590 3.029 199 HH12 ARG 42 HH12 ARG 42 -16.436 3.422 3.244 200 HH21 ARG 42 HH22 ARG 42 -16.294 -0.020 3.906 201 HH22 ARG 42 HH21 ARG 42 -17.336 1.360 3.749 202 H CYS 43 H CYS 43 -9.979 -1.009 0.760 203 HA CYS 43 HA CYS 43 -10.237 0.649 -1.655 204 HB2 CYS 43 HB2 CYS 43 -10.001 -1.718 -2.788 205 HB3 CYS 43 HB3 CYS 43 -8.564 -0.838 -2.271 206 HG CYS 43 HG CYS 43 -9.508 -3.836 -1.443 207 HA PRO 44 HA PRO 44 -14.492 -0.234 -0.949 208 HB2 PRO 44 HB3 PRO 44 -15.517 1.014 -3.120 209 HB3 PRO 44 HB2 PRO 44 -14.862 1.883 -1.725 210 HG2 PRO 44 HG2 PRO 44 -13.618 1.352 -4.387 211 HG3 PRO 44 HG3 PRO 44 -13.524 2.801 -3.369 212 HD2 PRO 44 HD2 PRO 44 -11.550 0.894 -3.542 213 HD3 PRO 44 HD3 PRO 44 -11.777 1.976 -2.156 214 H LYS 45 H LYS 45 -12.909 -2.306 -2.399 215 HA LYS 45 HA LYS 45 -14.726 -3.292 -4.430 216 HB2 LYS 45 HB2 LYS 45 -12.359 -3.713 -4.732 217 HB3 LYS 45 HB3 LYS 45 -12.271 -4.520 -3.173 218 HG2 LYS 45 HG2 LYS 45 -12.289 -6.139 -4.961 219 HG3 LYS 45 HG3 LYS 45 -13.756 -6.280 -4.004 220 HD2 LYS 45 HD2 LYS 45 -14.942 -4.939 -5.710 221 HD3 LYS 45 HD3 LYS 45 -13.470 -4.930 -6.685 222 HE2 LYS 45 HE2 LYS 45 -14.908 -7.425 -5.785 223 HE3 LYS 45 HE3 LYS 45 -15.130 -6.665 -7.363 224 HZ1 LYS 45 HZ1 LYS 45 -12.718 -6.981 -7.746 225 HZ2 LYS 45 HZ2 LYS 45 -13.562 -8.442 -7.565 226 HZ3 LYS 45 HZ3 LYS 45 -12.621 -7.846 -6.291 227 H CYS 46 H CYS 46 -14.077 -3.738 -1.050 228 HA CYS 46 HA CYS 46 -15.273 -4.696 0.621 229 HB2 CYS 46 HB2 CYS 46 -17.313 -5.445 -1.474 230 HB3 CYS 46 HB3 CYS 46 -17.549 -5.456 0.271 231 HG CYS 46 HG CYS 46 -18.258 -3.087 -1.752 232 H GLN 47 H GLN 47 -14.988 -6.610 -2.307 233 HA GLN 47 HA GLN 47 -14.822 -9.071 -0.762 234 HB2 GLN 47 HB2 GLN 47 -14.695 -8.549 -3.733 235 HB3 GLN 47 HB3 GLN 47 -14.651 -10.149 -2.993 236 HG2 GLN 47 HG2 GLN 47 -16.895 -8.174 -2.677 237 HG3 GLN 47 HG3 GLN 47 -16.885 -9.510 -3.834 238 HE21 GLN 47 HE22 GLN 47 -17.108 -8.614 -0.478 239 HE22 GLN 47 HE21 GLN 47 -17.657 -10.148 0.106 240 H ASN 48 H ASN 48 -12.792 -6.868 -2.531 241 HA ASN 48 HA ASN 48 -10.440 -8.470 -1.797 242 HB2 ASN 48 HB2 ASN 48 -10.572 -6.207 -3.795 243 HB3 ASN 48 HB3 ASN 48 -9.176 -7.215 -3.463 244 HD21 ASN 48 HD22 ASN 48 -8.901 -8.051 -5.468 245 HD22 ASN 48 HD21 ASN 48 -10.056 -9.062 -6.269 246 H ASN 49 H ASN 49 -10.226 -7.790 0.307 247 HA ASN 49 HA ASN 49 -10.314 -4.913 0.846 248 HB2 ASN 49 HB2 ASN 49 -10.286 -7.306 2.694 249 HB3 ASN 49 HB3 ASN 49 -10.272 -5.633 3.246 250 HD21 ASN 49 HD22 ASN 49 -12.250 -7.806 3.595 251 HD22 ASN 49 HD21 ASN 49 -13.741 -7.172 2.990 252 H SER 50 H SER 50 -8.571 -3.747 1.180 253 HA SER 50 HA SER 50 -6.428 -3.098 1.486 254 HB2 SER 50 HB2 SER 50 -5.914 -5.896 2.534 255 HB3 SER 50 HB3 SER 50 -4.886 -4.480 2.765 256 HG SER 50 HG SER 50 -6.365 -3.603 4.125 257 H ILE 51 H ILE 51 -4.971 -2.797 -0.079 258 HA ILE 51 HA ILE 51 -5.081 -4.299 -2.460 259 HB ILE 51 HB ILE 51 -3.119 -2.973 -3.195 260 HG12 ILE 51 HG12 ILE 51 -3.268 -1.751 -0.431 261 HG13 ILE 51 HG13 ILE 51 -1.997 -2.836 -0.986 262 HG21 ILE 51 HG21 ILE 51 -5.371 -2.107 -3.480 263 HG22 ILE 51 HG22 ILE 51 -4.246 -0.796 -3.121 264 HG23 ILE 51 HG23 ILE 51 -5.320 -1.404 -1.862 265 HD11 ILE 51 HD11 ILE 51 -2.622 -0.135 -2.156 266 HD12 ILE 51 HD12 ILE 51 -1.319 -1.213 -2.656 267 HD13 ILE 51 HD13 ILE 51 -1.301 -0.498 -1.044 268 H ALA 52 H ALA 52 -3.348 -4.838 0.412 269 HA ALA 52 HA ALA 52 -1.152 -6.319 -0.630 270 HB1 ALA 52 HB1 ALA 52 -2.423 -6.524 2.093 271 HB2 ALA 52 HB2 ALA 52 -1.207 -5.331 1.638 272 HB3 ALA 52 HB3 ALA 52 -0.801 -7.048 1.638 273 H ASP 53 H ASP 53 -4.476 -7.035 -0.006 274 HA ASP 53 HA ASP 53 -3.993 -9.902 -0.425 275 HB2 ASP 53 HB2 ASP 53 -5.292 -9.303 1.594 276 HB3 ASP 53 HB3 ASP 53 -6.480 -8.496 0.577 277 H SER 54 H SER 54 -5.349 -7.045 -1.793 278 HA SER 54 HA SER 54 -7.132 -8.192 -3.636 279 HB2 SER 54 HB2 SER 54 -5.547 -5.631 -3.937 280 HB3 SER 54 HB3 SER 54 -7.010 -6.064 -4.824 281 HG SER 54 HG SER 54 -7.197 -6.170 -2.058 282 H ASN 55 H ASN 55 -3.704 -7.350 -3.905 283 HA ASN 55 HA ASN 55 -2.013 -8.169 -5.173 284 HB2 ASN 55 HB2 ASN 55 -3.981 -10.405 -5.621 285 HB3 ASN 55 HB3 ASN 55 -2.308 -10.454 -6.167 286 HD21 ASN 55 HD22 ASN 55 -3.720 -12.163 -4.256 287 HD22 ASN 55 HD21 ASN 55 -2.823 -12.048 -2.777 288 H SER 56 H SER 56 -4.592 -6.839 -6.451 289 HA SER 56 HA SER 56 -4.619 -7.444 -9.170 290 HB2 SER 56 HB2 SER 56 -6.385 -6.124 -8.275 291 HB3 SER 56 HB3 SER 56 -5.264 -4.917 -7.654 292 HG SER 56 HG SER 56 -6.523 -4.680 -9.823 293 H MET 57 H MET 57 -3.664 -6.401 -10.987 294 HA MET 57 HA MET 57 -0.960 -5.820 -10.919 295 HB2 MET 57 HB2 MET 57 -2.744 -4.390 -12.865 296 HB3 MET 57 HB3 MET 57 -1.139 -5.045 -13.126 297 HG2 MET 57 HG2 MET 57 -1.978 -6.928 -13.883 298 HG3 MET 57 HG3 MET 57 -2.968 -7.129 -12.436 299 HE1 MET 57 HE1 MET 57 -6.083 -4.919 -13.352 300 HE2 MET 57 HE2 MET 57 -4.680 -4.730 -12.295 301 HE3 MET 57 HE3 MET 57 -5.602 -6.238 -12.284 302 H ILE 58 H ILE 58 -3.724 -3.675 -10.774 303 HA ILE 58 HA ILE 58 -2.140 -1.297 -10.649 304 HB ILE 58 HB ILE 58 -4.054 -0.175 -11.046 305 HG12 ILE 58 HG12 ILE 58 -6.328 -1.052 -10.048 306 HG13 ILE 58 HG13 ILE 58 -5.262 -1.899 -8.930 307 HG21 ILE 58 HG21 ILE 58 -4.843 -3.019 -11.610 308 HG22 ILE 58 HG22 ILE 58 -4.206 -1.805 -12.728 309 HG23 ILE 58 HG23 ILE 58 -5.841 -1.638 -12.085 310 HD11 ILE 58 HD11 ILE 58 -5.644 1.041 -9.319 311 HD12 ILE 58 HD12 ILE 58 -4.169 0.395 -8.593 312 HD13 ILE 58 HD13 ILE 58 -5.737 0.088 -7.837 313 H ALA 59 H ALA 59 -3.674 -3.443 -8.330 314 HA ALA 59 HA ALA 59 -3.395 -1.813 -6.036 315 HB1 ALA 59 HB1 ALA 59 -3.345 -4.820 -6.315 316 HB2 ALA 59 HB2 ALA 59 -4.727 -3.812 -5.886 317 HB3 ALA 59 HB3 ALA 59 -3.369 -3.967 -4.772 318 H THR 60 H THR 60 -1.243 -4.124 -7.629 319 HA THR 60 HA THR 60 0.981 -3.788 -5.926 320 HB THR 60 HB THR 60 0.854 -4.560 -8.848 321 HG1 THR 60 HG1 THR 60 0.566 -6.564 -8.105 322 HG21 THR 60 HG21 THR 60 3.075 -3.707 -8.130 323 HG22 THR 60 HG22 THR 60 3.090 -5.406 -8.608 324 HG23 THR 60 HG23 THR 60 3.120 -4.969 -6.899 325 H ASP 61 H ASP 61 -0.074 -2.102 -8.834 326 HA ASP 61 HA ASP 61 1.992 -0.332 -9.277 327 HB2 ASP 61 HB2 ASP 61 -0.320 -0.594 -10.479 328 HB3 ASP 61 HB3 ASP 61 -0.863 0.604 -9.319 329 H LEU 62 H LEU 62 -0.750 0.031 -7.084 330 HA LEU 62 HA LEU 62 0.027 2.513 -5.961 331 HB2 LEU 62 HB2 LEU 62 -1.668 0.351 -4.710 332 HB3 LEU 62 HB3 LEU 62 -1.674 2.050 -4.297 333 HG LEU 62 HG LEU 62 -2.610 0.873 -6.912 334 HD11 LEU 62 HD11 LEU 62 -4.014 0.419 -4.901 335 HD12 LEU 62 HD12 LEU 62 -4.816 1.355 -6.162 336 HD13 LEU 62 HD13 LEU 62 -4.211 2.161 -4.713 337 HD21 LEU 62 HD21 LEU 62 -3.386 3.113 -7.427 338 HD22 LEU 62 HD22 LEU 62 -1.644 3.119 -7.152 339 HD23 LEU 62 HD23 LEU 62 -2.736 3.714 -5.901 340 H ARG 63 H ARG 63 0.731 -0.827 -5.147 341 HA ARG 63 HA ARG 63 1.803 -0.367 -2.586 342 HB2 ARG 63 HB2 ARG 63 2.255 -2.596 -4.566 343 HB3 ARG 63 HB3 ARG 63 2.977 -2.580 -2.960 344 HG2 ARG 63 HG2 ARG 63 0.616 -2.307 -2.070 345 HG3 ARG 63 HG3 ARG 63 0.073 -2.732 -3.692 346 HD2 ARG 63 HD2 ARG 63 1.967 -4.440 -2.106 347 HD3 ARG 63 HD3 ARG 63 0.218 -4.611 -1.997 348 HE ARG 63 HE ARG 63 0.780 -4.754 -4.679 349 HH11 ARG 63 HH11 ARG 63 1.763 -6.527 -1.823 350 HH12 ARG 63 HH12 ARG 63 2.079 -7.996 -2.698 351 HH21 ARG 63 HH22 ARG 63 1.158 -6.710 -5.826 352 HH22 ARG 63 HH21 ARG 63 1.725 -8.104 -4.951 353 H GLN 64 H GLN 64 3.155 -0.024 -5.780 354 HA GLN 64 HA GLN 64 5.867 0.186 -5.028 355 HB2 GLN 64 HB2 GLN 64 4.457 1.567 -7.313 356 HB3 GLN 64 HB3 GLN 64 6.194 1.360 -7.150 357 HG2 GLN 64 HG2 GLN 64 5.836 -1.101 -7.215 358 HG3 GLN 64 HG3 GLN 64 4.136 -0.796 -7.561 359 HE21 GLN 64 HE22 GLN 64 3.570 0.150 -9.551 360 HE22 GLN 64 HE21 GLN 64 4.640 0.104 -10.910 361 H LYS 65 H LYS 65 3.236 2.539 -5.199 362 HA LYS 65 HA LYS 65 4.680 4.844 -4.540 363 HB2 LYS 65 HB2 LYS 65 2.391 4.961 -5.313 364 HB3 LYS 65 HB3 LYS 65 1.827 4.115 -3.880 365 HG2 LYS 65 HG2 LYS 65 1.337 6.325 -3.387 366 HG3 LYS 65 HG3 LYS 65 2.889 6.074 -2.595 367 HD2 LYS 65 HD2 LYS 65 2.931 7.081 -5.384 368 HD3 LYS 65 HD3 LYS 65 2.436 8.197 -4.107 369 HE2 LYS 65 HE2 LYS 65 4.468 7.772 -2.898 370 HE3 LYS 65 HE3 LYS 65 4.947 6.561 -4.074 371 HZ1 LYS 65 HZ1 LYS 65 4.550 9.421 -4.734 372 HZ2 LYS 65 HZ2 LYS 65 5.231 8.230 -5.723 373 HZ3 LYS 65 HZ3 LYS 65 6.054 8.758 -4.332 374 H VAL 66 H VAL 66 3.075 2.464 -2.486 375 HA VAL 66 HA VAL 66 3.640 3.480 0.025 376 HB VAL 66 HB VAL 66 3.361 0.675 -1.009 377 HG11 VAL 66 HG11 VAL 66 4.494 1.509 1.588 378 HG12 VAL 66 HG12 VAL 66 4.707 0.010 0.683 379 HG13 VAL 66 HG13 VAL 66 3.248 0.262 1.642 380 HG21 VAL 66 HG21 VAL 66 1.346 0.716 0.375 381 HG22 VAL 66 HG22 VAL 66 1.368 2.057 -0.771 382 HG23 VAL 66 HG23 VAL 66 1.756 2.342 0.926 383 H TYR 67 H TYR 67 5.712 1.534 -2.091 384 HA TYR 67 HA TYR 67 7.829 1.339 -0.212 385 HB2 TYR 67 HB2 TYR 67 7.586 -0.280 -2.026 386 HB3 TYR 67 HB3 TYR 67 7.841 0.986 -3.221 387 HD1 TYR 67 HD1 TYR 67 9.595 -0.253 -0.153 388 HD2 TYR 67 HD2 TYR 67 9.912 0.959 -4.218 389 HE1 TYR 67 HE1 TYR 67 12.014 -0.697 -0.089 390 HE2 TYR 67 HE2 TYR 67 12.328 0.519 -4.169 391 HH TYR 67 HH TYR 67 13.852 -1.140 -1.557 392 H GLU 68 H GLU 68 7.231 3.489 -2.997 393 HA GLU 68 HA GLU 68 9.579 4.991 -2.874 394 HB2 GLU 68 HB2 GLU 68 6.823 6.043 -3.536 395 HB3 GLU 68 HB3 GLU 68 8.358 6.758 -4.007 396 HG2 GLU 68 HG2 GLU 68 8.833 4.738 -5.344 397 HG3 GLU 68 HG3 GLU 68 7.224 4.139 -4.944 398 H LEU 69 H LEU 69 6.472 5.554 -1.265 399 HA LEU 69 HA LEU 69 7.138 7.965 0.003 400 HB2 LEU 69 HB2 LEU 69 5.152 5.814 0.693 401 HB3 LEU 69 HB3 LEU 69 5.246 7.337 1.552 402 HG LEU 69 HG LEU 69 4.631 7.010 -1.388 403 HD11 LEU 69 HD11 LEU 69 2.890 6.360 0.375 404 HD12 LEU 69 HD12 LEU 69 2.411 7.499 -0.877 405 HD13 LEU 69 HD13 LEU 69 2.814 8.079 0.739 406 HD21 LEU 69 HD21 LEU 69 4.488 9.310 -1.567 407 HD22 LEU 69 HD22 LEU 69 5.893 9.112 -0.521 408 HD23 LEU 69 HD23 LEU 69 4.330 9.537 0.175 409 H MET 70 H MET 70 7.784 4.643 0.930 410 HA MET 70 HA MET 70 8.548 5.037 3.593 411 HB2 MET 70 HB2 MET 70 9.679 3.142 1.527 412 HB3 MET 70 HB3 MET 70 10.123 3.102 3.224 413 HG2 MET 70 HG2 MET 70 7.768 2.652 3.790 414 HG3 MET 70 HG3 MET 70 7.390 2.601 2.069 415 HE1 MET 70 HE1 MET 70 7.119 -1.140 2.884 416 HE2 MET 70 HE2 MET 70 6.344 0.310 2.242 417 HE3 MET 70 HE3 MET 70 6.658 0.169 3.971 418 H GLN 71 H GLN 71 10.568 5.117 0.657 419 HA GLN 71 HA GLN 71 12.854 6.042 2.130 420 HB2 GLN 71 HB2 GLN 71 13.791 6.305 -0.267 421 HB3 GLN 71 HB3 GLN 71 13.465 4.692 0.345 422 HG2 GLN 71 HG2 GLN 71 11.392 4.601 -0.883 423 HG3 GLN 71 HG3 GLN 71 11.611 6.261 -1.427 424 HE21 GLN 71 HE22 GLN 71 14.469 5.932 -1.858 425 HE22 GLN 71 HE21 GLN 71 14.634 4.984 -3.301 426 H GLU 72 H GLU 72 10.199 7.527 0.534 427 HA GLU 72 HA GLU 72 11.385 10.078 0.135 428 HB2 GLU 72 HB2 GLU 72 8.487 9.339 0.604 429 HB3 GLU 72 HB3 GLU 72 9.041 10.945 0.156 430 HG2 GLU 72 HG2 GLU 72 10.022 9.922 -1.916 431 HG3 GLU 72 HG3 GLU 72 9.188 8.433 -1.470 432 H GLY 73 H GLY 73 9.990 8.435 2.870 433 HA2 GLY 73 HA2 GLY 73 10.736 8.947 5.074 434 HA3 GLY 73 HA3 GLY 73 10.994 10.612 4.571 435 H LYS 74 H LYS 74 8.153 8.701 3.868 436 HA LYS 74 HA LYS 74 6.483 10.748 5.053 437 HB2 LYS 74 HB2 LYS 74 5.593 8.157 3.792 438 HB3 LYS 74 HB3 LYS 74 4.658 9.627 4.006 439 HG2 LYS 74 HG2 LYS 74 7.106 9.529 2.262 440 HG3 LYS 74 HG3 LYS 74 5.485 9.148 1.675 441 HD2 LYS 74 HD2 LYS 74 4.707 11.302 2.066 442 HD3 LYS 74 HD3 LYS 74 6.076 11.720 3.102 443 HE2 LYS 74 HE2 LYS 74 7.531 11.477 1.086 444 HE3 LYS 74 HE3 LYS 74 6.068 11.287 0.123 445 HZ1 LYS 74 HZ1 LYS 74 5.344 13.489 0.950 446 HZ2 LYS 74 HZ2 LYS 74 6.762 13.558 0.019 447 HZ3 LYS 74 HZ3 LYS 74 6.852 13.673 1.707 448 H SER 75 H SER 75 4.739 10.183 6.505 449 HA SER 75 HA SER 75 5.529 8.220 8.515 450 HB2 SER 75 HB2 SER 75 3.284 10.249 8.579 451 HB3 SER 75 HB3 SER 75 3.870 9.291 9.939 452 HG SER 75 HG SER 75 5.925 10.610 8.799 453 H LYS 76 H LYS 76 3.546 6.977 9.509 454 HA LYS 76 HA LYS 76 2.752 5.167 7.528 455 HB2 LYS 76 HB2 LYS 76 2.050 5.596 10.371 456 HB3 LYS 76 HB3 LYS 76 0.975 4.579 9.423 457 HG2 LYS 76 HG2 LYS 76 2.602 3.215 10.540 458 HG3 LYS 76 HG3 LYS 76 2.890 3.160 8.808 459 HD2 LYS 76 HD2 LYS 76 4.382 5.130 10.484 460 HD3 LYS 76 HD3 LYS 76 4.882 3.440 10.490 461 HE2 LYS 76 HE2 LYS 76 5.120 3.518 8.052 462 HE3 LYS 76 HE3 LYS 76 4.628 5.210 8.061 463 HZ1 LYS 76 HZ1 LYS 76 7.013 4.170 9.488 464 HZ2 LYS 76 HZ2 LYS 76 6.568 5.795 9.301 465 HZ3 LYS 76 HZ3 LYS 76 7.059 4.890 7.953 466 H LYS 77 H LYS 77 0.710 7.537 9.238 467 HA LYS 77 HA LYS 77 -1.543 7.151 7.543 468 HB2 LYS 77 HB2 LYS 77 -0.870 9.649 9.107 469 HB3 LYS 77 HB3 LYS 77 -2.462 9.105 8.596 470 HG2 LYS 77 HG2 LYS 77 -0.681 7.808 10.631 471 HG3 LYS 77 HG3 LYS 77 -2.185 8.685 10.942 472 HD2 LYS 77 HD2 LYS 77 -3.372 6.997 9.540 473 HD3 LYS 77 HD3 LYS 77 -1.856 6.097 9.440 474 HE2 LYS 77 HE2 LYS 77 -1.848 5.704 11.789 475 HE3 LYS 77 HE3 LYS 77 -3.195 6.812 12.039 476 HZ1 LYS 77 HZ1 LYS 77 -3.909 4.500 12.110 477 HZ2 LYS 77 HZ2 LYS 77 -3.329 4.250 10.532 478 HZ3 LYS 77 HZ3 LYS 77 -4.623 5.310 10.801 479 H GLU 78 H GLU 78 1.248 9.228 7.469 480 HA GLU 78 HA GLU 78 0.418 10.976 5.430 481 HB2 GLU 78 HB2 GLU 78 2.331 11.457 6.824 482 HB3 GLU 78 HB3 GLU 78 3.196 10.064 6.189 483 HG2 GLU 78 HG2 GLU 78 4.039 12.081 5.195 484 HG3 GLU 78 HG3 GLU 78 3.216 11.108 3.972 485 H ILE 79 H ILE 79 2.007 7.795 5.261 486 HA ILE 79 HA ILE 79 2.410 7.776 2.479 487 HB ILE 79 HB ILE 79 2.205 5.620 4.536 488 HG12 ILE 79 HG12 ILE 79 4.275 5.047 2.817 489 HG13 ILE 79 HG13 ILE 79 4.219 6.803 2.766 490 HG21 ILE 79 HG21 ILE 79 0.890 5.116 2.266 491 HG22 ILE 79 HG22 ILE 79 1.801 3.880 3.136 492 HG23 ILE 79 HG23 ILE 79 2.519 4.690 1.744 493 HD11 ILE 79 HD11 ILE 79 4.374 5.215 5.314 494 HD12 ILE 79 HD12 ILE 79 4.605 6.949 5.106 495 HD13 ILE 79 HD13 ILE 79 5.783 5.819 4.442 496 H VAL 80 H VAL 80 -0.312 6.520 4.418 497 HA VAL 80 HA VAL 80 -1.775 5.734 2.114 498 HB VAL 80 HB VAL 80 -2.245 4.551 4.124 499 HG11 VAL 80 HG11 VAL 80 -3.041 7.185 5.334 500 HG12 VAL 80 HG12 VAL 80 -1.639 6.210 5.768 501 HG13 VAL 80 HG13 VAL 80 -3.265 5.611 6.093 502 HG21 VAL 80 HG21 VAL 80 -4.128 4.872 2.607 503 HG22 VAL 80 HG22 VAL 80 -4.570 6.328 3.496 504 HG23 VAL 80 HG23 VAL 80 -4.661 4.753 4.287 505 H ASP 81 H ASP 81 -1.743 8.637 4.096 506 HA ASP 81 HA ASP 81 -3.984 9.903 2.940 507 HB2 ASP 81 HB2 ASP 81 -2.883 10.673 5.021 508 HB3 ASP 81 HB3 ASP 81 -1.492 11.188 4.072 509 H TYR 82 H TYR 82 -0.623 9.664 2.027 510 HA TYR 82 HA TYR 82 -0.641 11.453 -0.156 511 HB2 TYR 82 HB2 TYR 82 1.367 10.214 0.999 512 HB3 TYR 82 HB3 TYR 82 0.990 8.932 -0.137 513 HD1 TYR 82 HD2 TYR 82 1.213 9.304 -2.571 514 HD2 TYR 82 HD1 TYR 82 2.450 12.231 0.262 515 HE1 TYR 82 HE2 TYR 82 2.553 10.412 -4.306 516 HE2 TYR 82 HE1 TYR 82 3.796 13.348 -1.470 517 HH TYR 82 HH TYR 82 4.886 12.773 -3.614 518 H MET 83 H MET 83 -1.260 8.021 0.192 519 HA MET 83 HA MET 83 -1.661 7.296 -2.461 520 HB2 MET 83 HB2 MET 83 -3.068 6.239 0.004 521 HB3 MET 83 HB3 MET 83 -3.024 5.441 -1.560 522 HG2 MET 83 HG2 MET 83 -0.586 6.065 0.078 523 HG3 MET 83 HG3 MET 83 -1.449 4.531 0.122 524 HE1 MET 83 HE1 MET 83 -2.317 4.178 -2.900 525 HE2 MET 83 HE2 MET 83 -1.627 2.875 -1.935 526 HE3 MET 83 HE3 MET 83 -0.972 3.229 -3.534 527 H VAL 84 H VAL 84 -4.133 8.217 -0.050 528 HA VAL 84 HA VAL 84 -6.258 8.131 -1.915 529 HB VAL 84 HB VAL 84 -7.663 9.061 -0.282 530 HG11 VAL 84 HG11 VAL 84 -5.459 7.587 1.138 531 HG12 VAL 84 HG12 VAL 84 -6.876 6.891 0.355 532 HG13 VAL 84 HG13 VAL 84 -7.066 7.881 1.801 533 HG21 VAL 84 HG21 VAL 84 -6.706 11.108 0.313 534 HG22 VAL 84 HG22 VAL 84 -5.213 10.354 0.870 535 HG23 VAL 84 HG23 VAL 84 -6.693 10.173 1.808 536 H ALA 85 H ALA 85 -3.986 10.613 -1.060 537 HA ALA 85 HA ALA 85 -5.353 12.842 -2.047 538 HB1 ALA 85 HB1 ALA 85 -2.965 13.765 -2.287 539 HB2 ALA 85 HB2 ALA 85 -2.457 12.227 -1.582 540 HB3 ALA 85 HB3 ALA 85 -3.528 13.304 -0.681 541 H ARG 86 H ARG 86 -3.064 10.621 -3.596 542 HA ARG 86 HA ARG 86 -3.428 12.004 -6.153 543 HB2 ARG 86 HB2 ARG 86 -1.390 10.103 -5.071 544 HB3 ARG 86 HB3 ARG 86 -1.594 10.233 -6.809 545 HG2 ARG 86 HG2 ARG 86 0.163 11.686 -6.258 546 HG3 ARG 86 HG3 ARG 86 -1.238 12.727 -6.515 547 HD2 ARG 86 HD2 ARG 86 -1.604 12.780 -4.081 548 HD3 ARG 86 HD3 ARG 86 -0.157 11.801 -3.858 549 HE ARG 86 HE ARG 86 0.570 14.046 -5.350 550 HH11 ARG 86 HH11 ARG 86 -0.588 13.307 -2.126 551 HH12 ARG 86 HH12 ARG 86 0.201 14.667 -1.388 552 HH21 ARG 86 HH22 ARG 86 1.576 15.851 -4.399 553 HH22 ARG 86 HH21 ARG 86 1.397 16.133 -2.694 554 H TYR 87 H TYR 87 -3.790 8.820 -4.689 555 HA TYR 87 HA TYR 87 -4.858 7.747 -7.206 556 HB2 TYR 87 HB2 TYR 87 -3.889 6.260 -4.759 557 HB3 TYR 87 HB3 TYR 87 -4.283 5.564 -6.327 558 HD1 TYR 87 HD2 TYR 87 -2.874 6.514 -8.347 559 HD2 TYR 87 HD1 TYR 87 -1.668 6.747 -4.274 560 HE1 TYR 87 HE2 TYR 87 -0.539 6.810 -9.061 561 HE2 TYR 87 HE1 TYR 87 0.683 7.047 -4.975 562 HH TYR 87 HH TYR 87 1.565 7.840 -8.106 563 H GLY 88 H GLY 88 -6.426 9.415 -5.380 564 HA2 GLY 88 HA2 GLY 88 -8.031 7.718 -3.720 565 HA3 GLY 88 HA3 GLY 88 -8.313 9.419 -4.048 566 H ASN 89 H ASN 89 -8.013 7.444 -6.827 567 HA ASN 89 HA ASN 89 -10.932 7.426 -7.153 568 HB2 ASN 89 HB2 ASN 89 -8.657 7.488 -9.096 569 HB3 ASN 89 HB3 ASN 89 -10.184 6.768 -9.596 570 HD21 ASN 89 HD22 ASN 89 -10.051 9.387 -7.312 571 HD22 ASN 89 HD21 ASN 89 -10.719 10.596 -8.359 572 H PHE 90 H PHE 90 -8.756 5.531 -5.885 573 HA PHE 90 HA PHE 90 -10.341 3.166 -6.384 574 HB2 PHE 90 HB2 PHE 90 -8.570 3.013 -8.104 575 HB3 PHE 90 HB3 PHE 90 -7.343 3.159 -6.850 576 HD1 PHE 90 HD1 PHE 90 -6.878 1.327 -5.343 577 HD2 PHE 90 HD2 PHE 90 -9.805 0.959 -8.411 578 HE1 PHE 90 HE1 PHE 90 -6.871 -1.120 -5.050 579 HE2 PHE 90 HE2 PHE 90 -9.806 -1.483 -8.122 580 HZ PHE 90 HZ PHE 90 -8.340 -2.527 -6.440 581 H VAL 91 H VAL 91 -7.779 4.845 -4.682 582 HA VAL 91 HA VAL 91 -7.967 2.967 -2.453 583 HB VAL 91 HB VAL 91 -5.877 3.581 -1.811 584 HG11 VAL 91 HG11 VAL 91 -5.586 4.901 -4.484 585 HG12 VAL 91 HG12 VAL 91 -5.862 3.156 -4.345 586 HG13 VAL 91 HG13 VAL 91 -4.430 3.884 -3.612 587 HG21 VAL 91 HG21 VAL 91 -6.469 5.806 -1.096 588 HG22 VAL 91 HG22 VAL 91 -6.445 6.377 -2.765 589 HG23 VAL 91 HG23 VAL 91 -4.949 5.858 -1.990 590 H THR 92 H THR 92 -8.260 3.783 -0.293 591 HA THR 92 HA THR 92 -9.128 6.503 0.117 592 HB THR 92 HB THR 92 -11.051 4.181 0.373 593 HG1 THR 92 HG1 THR 92 -10.662 5.930 -1.534 594 HG21 THR 92 HG21 THR 92 -11.102 5.590 2.408 595 HG22 THR 92 HG22 THR 92 -12.606 5.656 1.483 596 HG23 THR 92 HG23 THR 92 -11.457 6.992 1.395 597 H TYR 93 H TYR 93 -8.806 7.111 2.287 598 HA TYR 93 HA TYR 93 -7.691 5.014 3.994 599 HB2 TYR 93 HB2 TYR 93 -6.355 7.031 3.845 600 HB3 TYR 93 HB3 TYR 93 -7.735 8.026 4.300 601 HD1 TYR 93 HD1 TYR 93 -5.841 5.082 5.631 602 HD2 TYR 93 HD2 TYR 93 -7.802 8.758 6.492 603 HE1 TYR 93 HE1 TYR 93 -5.213 4.854 7.998 604 HE2 TYR 93 HE2 TYR 93 -7.176 8.543 8.861 605 HH TYR 93 HH TYR 93 -6.572 6.737 10.457 606 H ASP 94 H ASP 94 -9.207 3.907 4.988 607 HA ASP 94 HA ASP 94 -10.994 5.165 6.843 608 HB2 ASP 94 HB2 ASP 94 -11.941 4.270 4.197 609 HB3 ASP 94 HB3 ASP 94 -12.891 3.688 5.561 610 HA PRO 95 HA PRO 95 -10.785 1.114 8.791 611 HB2 PRO 95 HB3 PRO 95 -13.440 0.839 9.537 612 HB3 PRO 95 HB2 PRO 95 -12.215 1.697 10.476 613 HG2 PRO 95 HG2 PRO 95 -14.277 2.784 8.608 614 HG3 PRO 95 HG3 PRO 95 -13.717 3.430 10.162 615 HD2 PRO 95 HD2 PRO 95 -12.888 4.473 7.837 616 HD3 PRO 95 HD3 PRO 95 -11.797 4.342 9.232 617 HA PRO 96 HA PRO 96 -12.142 -1.502 5.516 618 HB2 PRO 96 HB3 PRO 96 -11.839 -3.904 7.000 619 HB3 PRO 96 HB2 PRO 96 -10.672 -3.152 5.918 620 HG2 PRO 96 HG2 PRO 96 -10.446 -3.408 8.696 621 HG3 PRO 96 HG3 PRO 96 -9.428 -2.421 7.638 622 HD2 PRO 96 HD2 PRO 96 -11.635 -1.616 9.426 623 HD3 PRO 96 HD3 PRO 96 -10.251 -0.680 8.832 624 H LEU 97 H LEU 97 -13.400 -3.879 5.564 625 HA LEU 97 HA LEU 97 -16.115 -3.107 6.133 626 HB2 LEU 97 HB2 LEU 97 -14.849 -5.541 4.929 627 HB3 LEU 97 HB3 LEU 97 -16.568 -5.470 5.253 628 HG LEU 97 HG LEU 97 -16.186 -4.982 2.922 629 HD11 LEU 97 HD11 LEU 97 -17.266 -2.796 2.745 630 HD12 LEU 97 HD12 LEU 97 -16.900 -2.478 4.441 631 HD13 LEU 97 HD13 LEU 97 -18.002 -3.786 4.007 632 HD21 LEU 97 HD21 LEU 97 -13.882 -4.207 3.037 633 HD22 LEU 97 HD22 LEU 97 -14.407 -2.732 3.851 634 HD23 LEU 97 HD23 LEU 97 -14.896 -3.042 2.184 635 H THR 98 H THR 98 -13.948 -3.935 8.179 636 HA THR 98 HA THR 98 -14.635 -6.187 9.574 637 HB THR 98 HB THR 98 -12.671 -4.906 10.162 638 HG1 THR 98 HG1 THR 98 -12.935 -5.775 12.060 639 HG21 THR 98 HG21 THR 98 -13.497 -2.657 9.750 640 HG22 THR 98 HG22 THR 98 -12.819 -2.777 11.374 641 HG23 THR 98 HG23 THR 98 -14.568 -2.775 11.147 642 HA PRO 99 HA PRO 99 -18.814 -5.351 10.884 643 HB2 PRO 99 HB3 PRO 99 -18.948 -7.416 12.693 644 HB3 PRO 99 HB2 PRO 99 -19.196 -7.599 10.954 645 HG2 PRO 99 HG2 PRO 99 -16.765 -8.161 12.589 646 HG3 PRO 99 HG3 PRO 99 -17.442 -9.076 11.229 647 HD2 PRO 99 HD2 PRO 99 -15.309 -7.442 10.959 648 HD3 PRO 99 HD3 PRO 99 -16.493 -7.678 9.658 Start of MODEL 18 1 H THR 19 H1 THR 19 11.625 -10.480 -2.428 2 HA THR 19 HA THR 19 12.207 -9.012 -4.212 3 HB THR 19 HB THR 19 13.931 -10.474 -5.246 4 HG1 THR 19 HG1 THR 19 13.419 -9.881 -7.394 5 HG21 THR 19 HG21 THR 19 13.240 -12.225 -6.825 6 HG22 THR 19 HG22 THR 19 11.563 -12.003 -6.326 7 HG23 THR 19 HG23 THR 19 12.755 -12.607 -5.174 8 H ILE 20 H ILE 20 10.784 -8.741 -6.237 9 HA ILE 20 HA ILE 20 8.496 -10.281 -6.650 10 HB ILE 20 HB ILE 20 7.908 -9.661 -4.343 11 HG12 ILE 20 HG12 ILE 20 6.177 -9.874 -6.250 12 HG13 ILE 20 HG13 ILE 20 5.658 -9.183 -4.719 13 HG21 ILE 20 HG21 ILE 20 7.899 -6.815 -5.313 14 HG22 ILE 20 HG22 ILE 20 9.068 -7.527 -4.201 15 HG23 ILE 20 HG23 ILE 20 7.376 -7.371 -3.724 16 HD11 ILE 20 HD11 ILE 20 4.736 -7.967 -6.607 17 HD12 ILE 20 HD12 ILE 20 6.364 -7.645 -7.207 18 HD13 ILE 20 HD13 ILE 20 5.833 -6.946 -5.676 19 H ASP 21 H ASP 21 9.743 -6.993 -6.469 20 HA ASP 21 HA ASP 21 9.302 -6.542 -9.278 21 HB2 ASP 21 HB2 ASP 21 7.088 -5.982 -7.991 22 HB3 ASP 21 HB3 ASP 21 7.981 -4.587 -7.397 23 H VAL 22 H VAL 22 9.441 -3.575 -8.735 24 HA VAL 22 HA VAL 22 12.240 -3.327 -8.127 25 HB VAL 22 HB VAL 22 11.004 -1.743 -9.622 26 HG11 VAL 22 HG11 VAL 22 9.829 -0.735 -7.081 27 HG12 VAL 22 HG12 VAL 22 8.958 -1.524 -8.385 28 HG13 VAL 22 HG13 VAL 22 9.697 0.058 -8.642 29 HG21 VAL 22 HG21 VAL 22 13.172 -1.118 -8.722 30 HG22 VAL 22 HG22 VAL 22 12.394 -0.475 -7.275 31 HG23 VAL 22 HG23 VAL 22 12.121 0.293 -8.840 32 H LEU 23 H LEU 23 9.574 -3.892 -6.297 33 HA LEU 23 HA LEU 23 10.144 -2.238 -4.017 34 HB2 LEU 23 HB2 LEU 23 8.347 -4.639 -4.007 35 HB3 LEU 23 HB3 LEU 23 8.208 -3.164 -3.070 36 HG LEU 23 HG LEU 23 7.654 -3.464 -6.024 37 HD11 LEU 23 HD11 LEU 23 5.812 -2.891 -3.714 38 HD12 LEU 23 HD12 LEU 23 5.929 -4.418 -4.588 39 HD13 LEU 23 HD13 LEU 23 5.356 -2.970 -5.414 40 HD21 LEU 23 HD21 LEU 23 8.597 -1.291 -5.655 41 HD22 LEU 23 HD22 LEU 23 7.558 -1.026 -4.255 42 HD23 LEU 23 HD23 LEU 23 6.856 -1.119 -5.870 43 H GLN 24 H GLN 24 12.354 -2.925 -3.710 44 HA GLN 24 HA GLN 24 12.770 -5.650 -2.803 45 HB2 GLN 24 HB2 GLN 24 14.651 -3.338 -3.243 46 HB3 GLN 24 HB3 GLN 24 15.167 -4.877 -2.570 47 HG2 GLN 24 HG2 GLN 24 13.861 -4.551 -5.260 48 HG3 GLN 24 HG3 GLN 24 15.602 -4.635 -4.995 49 HE21 GLN 24 HE22 GLN 24 15.379 -6.600 -2.860 50 HE22 GLN 24 HE21 GLN 24 14.988 -8.104 -3.620 51 H PHE 25 H PHE 25 12.046 -6.024 -0.804 52 HA PHE 25 HA PHE 25 12.302 -4.033 1.281 53 HB2 PHE 25 HB2 PHE 25 11.425 -6.913 1.576 54 HB3 PHE 25 HB3 PHE 25 11.118 -5.578 2.699 55 HD1 PHE 25 HD1 PHE 25 9.794 -3.572 1.707 56 HD2 PHE 25 HD2 PHE 25 9.792 -7.489 0.048 57 HE1 PHE 25 HE1 PHE 25 7.649 -3.099 0.604 58 HE2 PHE 25 HE2 PHE 25 7.647 -7.020 -1.064 59 HZ PHE 25 HZ PHE 25 6.644 -4.799 -0.908 60 H LYS 26 H LYS 26 13.894 -3.794 2.550 61 HA LYS 26 HA LYS 26 16.344 -5.012 2.359 62 HB2 LYS 26 HB2 LYS 26 16.585 -3.069 3.481 63 HB3 LYS 26 HB3 LYS 26 14.975 -3.153 4.155 64 HG2 LYS 26 HG2 LYS 26 16.752 -5.080 5.386 65 HG3 LYS 26 HG3 LYS 26 17.347 -3.422 5.526 66 HD2 LYS 26 HD2 LYS 26 14.541 -4.277 6.225 67 HD3 LYS 26 HD3 LYS 26 15.853 -4.143 7.402 68 HE2 LYS 26 HE2 LYS 26 14.819 -1.900 5.665 69 HE3 LYS 26 HE3 LYS 26 14.402 -2.146 7.360 70 HZ1 LYS 26 HZ1 LYS 26 16.703 -1.823 7.960 71 HZ2 LYS 26 HZ2 LYS 26 16.153 -0.490 7.066 72 HZ3 LYS 26 HZ3 LYS 26 17.149 -1.652 6.335 73 H ASP 27 H ASP 27 13.630 -5.795 4.395 74 HA ASP 27 HA ASP 27 14.525 -8.464 4.841 75 HB2 ASP 27 HB2 ASP 27 14.757 -6.434 6.972 76 HB3 ASP 27 HB3 ASP 27 14.107 -7.993 7.437 77 H GLU 28 H GLU 28 12.825 -9.460 6.561 78 HA GLU 28 HA GLU 28 10.223 -8.971 5.619 79 HB2 GLU 28 HB2 GLU 28 9.411 -10.324 7.433 80 HB3 GLU 28 HB3 GLU 28 10.903 -11.041 6.848 81 HG2 GLU 28 HG2 GLU 28 10.762 -9.252 9.259 82 HG3 GLU 28 HG3 GLU 28 10.609 -11.005 9.335 83 H ALA 29 H ALA 29 12.154 -7.509 8.098 84 HA ALA 29 HA ALA 29 10.242 -6.067 9.517 85 HB1 ALA 29 HB1 ALA 29 12.023 -4.640 10.222 86 HB2 ALA 29 HB2 ALA 29 13.003 -5.083 8.824 87 HB3 ALA 29 HB3 ALA 29 12.671 -6.276 10.082 88 H GLN 30 H GLN 30 11.873 -5.256 6.452 89 HA GLN 30 HA GLN 30 10.686 -2.667 6.258 90 HB2 GLN 30 HB2 GLN 30 12.743 -3.663 4.908 91 HB3 GLN 30 HB3 GLN 30 11.482 -4.204 3.811 92 HG2 GLN 30 HG2 GLN 30 10.706 -1.977 3.483 93 HG3 GLN 30 HG3 GLN 30 11.813 -1.358 4.706 94 HE21 GLN 30 HE22 GLN 30 11.429 -2.390 1.452 95 HE22 GLN 30 HE21 GLN 30 13.015 -1.975 0.897 96 H GLU 31 H GLU 31 9.813 -5.890 5.363 97 HA GLU 31 HA GLU 31 7.561 -5.156 3.759 98 HB2 GLU 31 HB2 GLU 31 8.632 -7.232 3.275 99 HB3 GLU 31 HB3 GLU 31 8.503 -7.766 4.938 100 HG2 GLU 31 HG2 GLU 31 6.062 -7.876 4.697 101 HG3 GLU 31 HG3 GLU 31 6.222 -7.370 3.016 102 H GLN 32 H GLN 32 8.144 -5.523 7.144 103 HA GLN 32 HA GLN 32 5.451 -5.949 7.987 104 HB2 GLN 32 HB2 GLN 32 7.764 -4.610 9.419 105 HB3 GLN 32 HB3 GLN 32 6.247 -5.081 10.175 106 HG2 GLN 32 HG2 GLN 32 6.741 -7.431 9.563 107 HG3 GLN 32 HG3 GLN 32 8.307 -6.900 8.957 108 HE21 GLN 32 HE22 GLN 32 6.328 -7.345 11.781 109 HE22 GLN 32 HE21 GLN 32 7.623 -7.287 12.936 110 H GLN 33 H GLN 33 7.412 -3.029 7.430 111 HA GLN 33 HA GLN 33 5.379 -1.177 8.088 112 HB2 GLN 33 HB2 GLN 33 7.724 -0.491 7.797 113 HB3 GLN 33 HB3 GLN 33 7.627 -0.877 6.086 114 HG2 GLN 33 HG2 GLN 33 6.030 0.869 5.714 115 HG3 GLN 33 HG3 GLN 33 5.901 1.172 7.447 116 HE21 GLN 33 HE22 GLN 33 6.641 2.985 5.292 117 HE22 GLN 33 HE21 GLN 33 8.193 3.619 5.720 118 H PHE 34 H PHE 34 6.382 -2.663 5.061 119 HA PHE 34 HA PHE 34 4.482 -1.573 3.343 120 HB2 PHE 34 HB2 PHE 34 6.389 -2.834 2.532 121 HB3 PHE 34 HB3 PHE 34 5.839 -4.282 3.363 122 HD1 PHE 34 HD1 PHE 34 5.072 -1.961 0.590 123 HD2 PHE 34 HD2 PHE 34 4.356 -5.778 2.341 124 HE1 PHE 34 HE1 PHE 34 3.917 -2.684 -1.459 125 HE2 PHE 34 HE2 PHE 34 3.200 -6.504 0.296 126 HZ PHE 34 HZ PHE 34 2.985 -4.958 -1.608 127 H ARG 35 H ARG 35 4.364 -4.341 5.484 128 HA ARG 35 HA ARG 35 1.981 -5.551 4.846 129 HB2 ARG 35 HB2 ARG 35 3.881 -5.766 6.784 130 HB3 ARG 35 HB3 ARG 35 2.533 -5.159 7.718 131 HG2 ARG 35 HG2 ARG 35 2.568 -7.499 7.898 132 HG3 ARG 35 HG3 ARG 35 1.185 -7.076 6.879 133 HD2 ARG 35 HD2 ARG 35 3.854 -7.790 5.742 134 HD3 ARG 35 HD3 ARG 35 2.675 -9.032 6.149 135 HE ARG 35 HE ARG 35 1.372 -7.203 4.530 136 HH11 ARG 35 HH11 ARG 35 4.075 -9.419 4.304 137 HH12 ARG 35 HH12 ARG 35 3.925 -9.630 2.584 138 HH21 ARG 35 HH22 ARG 35 1.156 -7.513 2.252 139 HH22 ARG 35 HH21 ARG 35 2.267 -8.566 1.425 140 H GLN 36 H GLN 36 2.502 -2.934 7.206 141 HA GLN 36 HA GLN 36 -0.285 -2.615 7.753 142 HB2 GLN 36 HB2 GLN 36 1.972 -0.687 8.355 143 HB3 GLN 36 HB3 GLN 36 0.382 -0.714 9.111 144 HG2 GLN 36 HG2 GLN 36 0.868 -2.876 10.102 145 HG3 GLN 36 HG3 GLN 36 2.446 -2.895 9.321 146 HE21 GLN 36 HE22 GLN 36 2.806 -0.004 9.785 147 HE22 GLN 36 HE21 GLN 36 3.201 0.155 11.463 148 H LEU 37 H LEU 37 2.047 -0.986 5.704 149 HA LEU 37 HA LEU 37 0.450 1.267 5.130 150 HB2 LEU 37 HB2 LEU 37 2.788 0.072 3.638 151 HB3 LEU 37 HB3 LEU 37 2.047 1.609 3.233 152 HG LEU 37 HG LEU 37 3.543 0.904 5.754 153 HD11 LEU 37 HD11 LEU 37 5.005 1.350 3.919 154 HD12 LEU 37 HD12 LEU 37 5.019 2.748 4.995 155 HD13 LEU 37 HD13 LEU 37 4.103 2.805 3.490 156 HD21 LEU 37 HD21 LEU 37 3.203 3.369 6.270 157 HD22 LEU 37 HD22 LEU 37 1.821 2.300 6.519 158 HD23 LEU 37 HD23 LEU 37 1.897 3.324 5.086 159 H THR 38 H THR 38 0.435 -1.961 3.876 160 HA THR 38 HA THR 38 -1.202 -1.117 1.608 161 HB THR 38 HB THR 38 -1.163 -3.628 1.063 162 HG1 THR 38 HG1 THR 38 1.049 -3.497 2.860 163 HG21 THR 38 HG21 THR 38 1.218 -1.814 0.890 164 HG22 THR 38 HG22 THR 38 0.011 -2.162 -0.341 165 HG23 THR 38 HG23 THR 38 1.184 -3.395 0.123 166 H GLU 39 H GLU 39 -1.593 -2.349 4.799 167 HA GLU 39 HA GLU 39 -4.157 -3.560 4.091 168 HB2 GLU 39 HB2 GLU 39 -2.543 -3.700 6.629 169 HB3 GLU 39 HB3 GLU 39 -4.154 -4.389 6.464 170 HG2 GLU 39 HG2 GLU 39 -3.218 -5.663 4.465 171 HG3 GLU 39 HG3 GLU 39 -1.629 -5.181 5.053 172 H GLU 40 H GLU 40 -2.911 -0.716 5.653 173 HA GLU 40 HA GLU 40 -5.587 -0.095 6.658 174 HB2 GLU 40 HB2 GLU 40 -3.488 0.424 8.012 175 HB3 GLU 40 HB3 GLU 40 -3.160 1.694 6.839 176 HG2 GLU 40 HG2 GLU 40 -5.273 2.769 7.381 177 HG3 GLU 40 HG3 GLU 40 -5.645 1.484 8.528 178 H LEU 41 H LEU 41 -5.738 -0.380 4.069 179 HA LEU 41 HA LEU 41 -6.246 2.327 3.116 180 HB2 LEU 41 HB2 LEU 41 -4.099 1.889 2.153 181 HB3 LEU 41 HB3 LEU 41 -4.577 0.281 1.656 182 HG LEU 41 HG LEU 41 -6.042 1.176 -0.040 183 HD11 LEU 41 HD11 LEU 41 -6.894 3.124 1.022 184 HD12 LEU 41 HD12 LEU 41 -6.076 3.634 -0.463 185 HD13 LEU 41 HD13 LEU 41 -5.286 3.856 1.100 186 HD21 LEU 41 HD21 LEU 41 -3.807 0.864 -0.762 187 HD22 LEU 41 HD22 LEU 41 -3.284 2.362 0.006 188 HD23 LEU 41 HD23 LEU 41 -4.337 2.418 -1.408 189 H ARG 42 H ARG 42 -8.098 2.488 1.934 190 HA ARG 42 HA ARG 42 -9.693 0.087 1.815 191 HB2 ARG 42 HB2 ARG 42 -10.267 2.955 1.842 192 HB3 ARG 42 HB3 ARG 42 -11.283 2.039 0.739 193 HG2 ARG 42 HG2 ARG 42 -11.564 0.461 2.813 194 HG3 ARG 42 HG3 ARG 42 -11.105 1.918 3.702 195 HD2 ARG 42 HD2 ARG 42 -12.925 3.145 2.770 196 HD3 ARG 42 HD3 ARG 42 -13.302 1.840 1.645 197 HE ARG 42 HE ARG 42 -13.601 1.573 4.571 198 HH11 ARG 42 HH11 ARG 42 -14.811 1.133 1.305 199 HH12 ARG 42 HH12 ARG 42 -16.222 0.251 1.828 200 HH21 ARG 42 HH22 ARG 42 -15.450 0.410 5.232 201 HH22 ARG 42 HH21 ARG 42 -16.580 -0.154 4.036 202 H CYS 43 H CYS 43 -9.288 -1.178 0.162 203 HA CYS 43 HA CYS 43 -9.354 -0.057 -2.540 204 HB2 CYS 43 HB2 CYS 43 -8.999 -2.592 -3.081 205 HB3 CYS 43 HB3 CYS 43 -7.651 -1.660 -2.432 206 HG CYS 43 HG CYS 43 -8.466 -4.464 -1.360 207 HA PRO 44 HA PRO 44 -13.746 -0.715 -2.093 208 HB2 PRO 44 HB3 PRO 44 -13.914 0.309 -4.837 209 HB3 PRO 44 HB2 PRO 44 -14.558 0.992 -3.340 210 HG2 PRO 44 HG2 PRO 44 -12.485 2.112 -4.630 211 HG3 PRO 44 HG3 PRO 44 -12.612 2.126 -2.860 212 HD2 PRO 44 HD2 PRO 44 -10.972 0.341 -4.627 213 HD3 PRO 44 HD3 PRO 44 -10.519 1.147 -3.111 214 H LYS 45 H LYS 45 -12.478 -3.086 -2.678 215 HA LYS 45 HA LYS 45 -14.073 -4.160 -4.900 216 HB2 LYS 45 HB2 LYS 45 -11.702 -4.832 -4.864 217 HB3 LYS 45 HB3 LYS 45 -11.928 -5.529 -3.265 218 HG2 LYS 45 HG2 LYS 45 -11.963 -7.253 -4.977 219 HG3 LYS 45 HG3 LYS 45 -13.530 -7.129 -4.182 220 HD2 LYS 45 HD2 LYS 45 -14.352 -5.768 -6.060 221 HD3 LYS 45 HD3 LYS 45 -12.788 -5.941 -6.856 222 HE2 LYS 45 HE2 LYS 45 -14.542 -8.264 -6.086 223 HE3 LYS 45 HE3 LYS 45 -14.580 -7.493 -7.671 224 HZ1 LYS 45 HZ1 LYS 45 -12.168 -8.020 -7.853 225 HZ2 LYS 45 HZ2 LYS 45 -13.177 -9.382 -7.812 226 HZ3 LYS 45 HZ3 LYS 45 -12.300 -8.935 -6.436 227 H CYS 46 H CYS 46 -13.524 -4.403 -1.443 228 HA CYS 46 HA CYS 46 -14.870 -5.021 0.283 229 HB2 CYS 46 HB2 CYS 46 -17.031 -5.455 -1.788 230 HB3 CYS 46 HB3 CYS 46 -17.260 -5.313 -0.048 231 HG CYS 46 HG CYS 46 -17.943 -2.848 -0.354 232 H GLN 47 H GLN 47 -15.334 -7.040 -2.555 233 HA GLN 47 HA GLN 47 -15.835 -9.438 -1.111 234 HB2 GLN 47 HB2 GLN 47 -14.965 -9.060 -3.979 235 HB3 GLN 47 HB3 GLN 47 -15.751 -10.486 -3.298 236 HG2 GLN 47 HG2 GLN 47 -16.983 -7.742 -3.414 237 HG3 GLN 47 HG3 GLN 47 -17.281 -9.029 -4.589 238 HE21 GLN 47 HE22 GLN 47 -17.223 -11.123 -2.525 239 HE22 GLN 47 HE21 GLN 47 -18.717 -10.978 -1.666 240 H ASN 48 H ASN 48 -13.023 -7.745 -2.056 241 HA ASN 48 HA ASN 48 -11.370 -10.004 -1.153 242 HB2 ASN 48 HB2 ASN 48 -11.198 -9.172 -3.655 243 HB3 ASN 48 HB3 ASN 48 -10.256 -7.866 -2.945 244 HD21 ASN 48 HD22 ASN 48 -9.481 -10.029 -4.769 245 HD22 ASN 48 HD21 ASN 48 -8.186 -10.868 -3.980 246 H ASN 49 H ASN 49 -9.230 -9.147 -0.237 247 HA ASN 49 HA ASN 49 -9.984 -7.126 1.716 248 HB2 ASN 49 HB2 ASN 49 -7.779 -9.170 1.594 249 HB3 ASN 49 HB3 ASN 49 -7.806 -7.904 2.819 250 HD21 ASN 49 HD22 ASN 49 -9.318 -7.984 4.450 251 HD22 ASN 49 HD21 ASN 49 -10.310 -9.373 4.747 252 H SER 50 H SER 50 -7.501 -6.236 2.507 253 HA SER 50 HA SER 50 -7.186 -3.988 0.888 254 HB2 SER 50 HB2 SER 50 -5.005 -3.775 2.301 255 HB3 SER 50 HB3 SER 50 -6.570 -3.706 3.114 256 HG SER 50 HG SER 50 -6.224 -5.614 4.002 257 H ILE 51 H ILE 51 -5.010 -3.254 0.027 258 HA ILE 51 HA ILE 51 -4.537 -4.827 -2.274 259 HB ILE 51 HB ILE 51 -2.883 -3.147 -2.908 260 HG12 ILE 51 HG12 ILE 51 -3.419 -1.858 -0.221 261 HG13 ILE 51 HG13 ILE 51 -1.972 -2.790 -0.595 262 HG21 ILE 51 HG21 ILE 51 -5.217 -2.697 -3.348 263 HG22 ILE 51 HG22 ILE 51 -4.393 -1.198 -2.919 264 HG23 ILE 51 HG23 ILE 51 -5.418 -2.011 -1.736 265 HD11 ILE 51 HD11 ILE 51 -2.834 -0.297 -2.041 266 HD12 ILE 51 HD12 ILE 51 -1.334 -1.194 -2.282 267 HD13 ILE 51 HD13 ILE 51 -1.630 -0.363 -0.754 268 H ALA 52 H ALA 52 -3.282 -5.206 0.781 269 HA ALA 52 HA ALA 52 -0.631 -6.036 0.191 270 HB1 ALA 52 HB1 ALA 52 -2.455 -6.882 2.441 271 HB2 ALA 52 HB2 ALA 52 -1.346 -5.511 2.466 272 HB3 ALA 52 HB3 ALA 52 -0.714 -7.154 2.366 273 H ASP 53 H ASP 53 -3.766 -7.525 0.047 274 HA ASP 53 HA ASP 53 -2.627 -9.830 -1.345 275 HB2 ASP 53 HB2 ASP 53 -2.972 -10.409 1.102 276 HB3 ASP 53 HB3 ASP 53 -4.692 -10.137 0.849 277 H SER 54 H SER 54 -3.477 -8.708 -3.166 278 HA SER 54 HA SER 54 -6.405 -8.821 -3.408 279 HB2 SER 54 HB2 SER 54 -6.184 -6.597 -4.689 280 HB3 SER 54 HB3 SER 54 -6.043 -6.534 -2.931 281 HG SER 54 HG SER 54 -3.690 -6.734 -3.363 282 H ASN 55 H ASN 55 -7.154 -8.689 -5.663 283 HA ASN 55 HA ASN 55 -5.349 -10.228 -7.398 284 HB2 ASN 55 HB2 ASN 55 -8.345 -9.832 -7.459 285 HB3 ASN 55 HB3 ASN 55 -7.449 -10.727 -8.679 286 HD21 ASN 55 HD22 ASN 55 -5.594 -11.918 -6.806 287 HD22 ASN 55 HD21 ASN 55 -6.485 -13.129 -5.943 288 H SER 56 H SER 56 -5.866 -7.143 -6.918 289 HA SER 56 HA SER 56 -6.400 -6.354 -9.661 290 HB2 SER 56 HB2 SER 56 -7.529 -5.088 -7.933 291 HB3 SER 56 HB3 SER 56 -5.990 -4.696 -7.169 292 HG SER 56 HG SER 56 -7.229 -3.546 -9.328 293 H MET 57 H MET 57 -4.913 -5.813 -11.054 294 HA MET 57 HA MET 57 -2.137 -5.982 -10.585 295 HB2 MET 57 HB2 MET 57 -3.130 -4.334 -12.852 296 HB3 MET 57 HB3 MET 57 -1.902 -5.589 -12.837 297 HG2 MET 57 HG2 MET 57 -3.367 -6.966 -13.743 298 HG3 MET 57 HG3 MET 57 -4.316 -6.870 -12.260 299 HE1 MET 57 HE1 MET 57 -6.915 -4.091 -13.037 300 HE2 MET 57 HE2 MET 57 -5.516 -4.227 -11.967 301 HE3 MET 57 HE3 MET 57 -6.676 -5.554 -12.083 302 H ILE 58 H ILE 58 -4.466 -3.429 -10.490 303 HA ILE 58 HA ILE 58 -2.608 -1.271 -10.604 304 HB ILE 58 HB ILE 58 -4.394 0.100 -10.723 305 HG12 ILE 58 HG12 ILE 58 -6.621 -0.565 -9.446 306 HG13 ILE 58 HG13 ILE 58 -5.499 -1.495 -8.458 307 HG21 ILE 58 HG21 ILE 58 -5.650 -2.598 -11.161 308 HG22 ILE 58 HG22 ILE 58 -4.915 -1.533 -12.364 309 HG23 ILE 58 HG23 ILE 58 -6.431 -1.072 -11.586 310 HD11 ILE 58 HD11 ILE 58 -5.690 1.462 -8.844 311 HD12 ILE 58 HD12 ILE 58 -4.176 0.711 -8.335 312 HD13 ILE 58 HD13 ILE 58 -5.625 0.528 -7.344 313 H ALA 59 H ALA 59 -3.982 -3.246 -8.091 314 HA ALA 59 HA ALA 59 -3.400 -1.736 -5.822 315 HB1 ALA 59 HB1 ALA 59 -3.226 -4.724 -6.217 316 HB2 ALA 59 HB2 ALA 59 -4.623 -3.818 -5.635 317 HB3 ALA 59 HB3 ALA 59 -3.162 -3.916 -4.653 318 H THR 60 H THR 60 -1.331 -3.701 -7.870 319 HA THR 60 HA THR 60 1.008 -3.586 -6.303 320 HB THR 60 HB THR 60 0.698 -3.875 -9.294 321 HG1 THR 60 HG1 THR 60 0.629 -6.032 -8.888 322 HG21 THR 60 HG21 THR 60 2.956 -3.149 -8.595 323 HG22 THR 60 HG22 THR 60 2.944 -4.767 -9.298 324 HG23 THR 60 HG23 THR 60 3.064 -4.564 -7.549 325 H ASP 61 H ASP 61 -0.226 -1.497 -8.881 326 HA ASP 61 HA ASP 61 1.885 0.293 -9.136 327 HB2 ASP 61 HB2 ASP 61 -0.429 0.144 -10.388 328 HB3 ASP 61 HB3 ASP 61 -0.957 1.273 -9.147 329 H LEU 62 H LEU 62 -0.859 0.326 -6.918 330 HA LEU 62 HA LEU 62 -0.203 2.676 -5.508 331 HB2 LEU 62 HB2 LEU 62 -1.597 0.256 -4.363 332 HB3 LEU 62 HB3 LEU 62 -1.777 1.922 -3.858 333 HG LEU 62 HG LEU 62 -2.751 0.721 -6.443 334 HD11 LEU 62 HD11 LEU 62 -4.005 0.122 -4.401 335 HD12 LEU 62 HD12 LEU 62 -4.949 1.085 -5.536 336 HD13 LEU 62 HD13 LEU 62 -4.271 1.838 -4.092 337 HD21 LEU 62 HD21 LEU 62 -3.753 2.887 -6.886 338 HD22 LEU 62 HD22 LEU 62 -2.000 3.034 -6.748 339 HD23 LEU 62 HD23 LEU 62 -3.035 3.541 -5.413 340 H ARG 63 H ARG 63 0.645 -0.707 -5.020 341 HA ARG 63 HA ARG 63 1.905 -0.361 -2.518 342 HB2 ARG 63 HB2 ARG 63 2.133 -2.527 -4.601 343 HB3 ARG 63 HB3 ARG 63 2.957 -2.598 -3.045 344 HG2 ARG 63 HG2 ARG 63 0.749 -2.369 -1.934 345 HG3 ARG 63 HG3 ARG 63 -0.009 -2.479 -3.522 346 HD2 ARG 63 HD2 ARG 63 1.843 -4.575 -2.436 347 HD3 ARG 63 HD3 ARG 63 0.102 -4.603 -2.170 348 HE ARG 63 HE ARG 63 0.798 -4.362 -4.942 349 HH11 ARG 63 HH11 ARG 63 0.343 -6.628 -2.323 350 HH12 ARG 63 HH12 ARG 63 0.088 -7.990 -3.362 351 HH21 ARG 63 HH22 ARG 63 0.486 -6.169 -6.340 352 HH22 ARG 63 HH21 ARG 63 0.192 -7.737 -5.644 353 H GLN 64 H GLN 64 3.033 0.007 -5.806 354 HA GLN 64 HA GLN 64 5.785 0.195 -5.192 355 HB2 GLN 64 HB2 GLN 64 4.247 1.531 -7.416 356 HB3 GLN 64 HB3 GLN 64 5.997 1.403 -7.326 357 HG2 GLN 64 HG2 GLN 64 5.774 -1.059 -7.370 358 HG3 GLN 64 HG3 GLN 64 4.037 -0.865 -7.599 359 HE21 GLN 64 HE22 GLN 64 4.038 -1.858 -9.594 360 HE22 GLN 64 HE21 GLN 64 4.715 -1.129 -11.006 361 H LYS 65 H LYS 65 3.165 2.564 -5.276 362 HA LYS 65 HA LYS 65 4.656 4.832 -4.600 363 HB2 LYS 65 HB2 LYS 65 2.347 4.986 -5.332 364 HB3 LYS 65 HB3 LYS 65 1.806 4.148 -3.886 365 HG2 LYS 65 HG2 LYS 65 1.370 6.363 -3.376 366 HG3 LYS 65 HG3 LYS 65 2.941 6.087 -2.628 367 HD2 LYS 65 HD2 LYS 65 2.888 7.108 -5.416 368 HD3 LYS 65 HD3 LYS 65 2.501 8.225 -4.103 369 HE2 LYS 65 HE2 LYS 65 4.588 7.769 -3.035 370 HE3 LYS 65 HE3 LYS 65 4.953 6.504 -4.198 371 HZ1 LYS 65 HZ1 LYS 65 5.292 8.068 -5.886 372 HZ2 LYS 65 HZ2 LYS 65 6.083 8.713 -4.532 373 HZ3 LYS 65 HZ3 LYS 65 4.570 9.322 -5.007 374 H VAL 66 H VAL 66 2.959 2.495 -2.559 375 HA VAL 66 HA VAL 66 3.597 3.440 -0.042 376 HB VAL 66 HB VAL 66 3.251 0.614 -1.045 377 HG11 VAL 66 HG11 VAL 66 4.731 0.861 1.033 378 HG12 VAL 66 HG12 VAL 66 3.352 -0.232 1.124 379 HG13 VAL 66 HG13 VAL 66 3.259 1.372 1.854 380 HG21 VAL 66 HG21 VAL 66 1.105 0.766 0.039 381 HG22 VAL 66 HG22 VAL 66 1.299 2.130 -1.059 382 HG23 VAL 66 HG23 VAL 66 1.502 2.362 0.676 383 H TYR 67 H TYR 67 5.569 1.460 -2.210 384 HA TYR 67 HA TYR 67 7.711 1.114 -0.380 385 HB2 TYR 67 HB2 TYR 67 7.405 -0.395 -2.264 386 HB3 TYR 67 HB3 TYR 67 7.653 0.926 -3.398 387 HD1 TYR 67 HD1 TYR 67 9.355 -1.015 -0.717 388 HD2 TYR 67 HD2 TYR 67 9.803 1.414 -4.182 389 HE1 TYR 67 HE1 TYR 67 11.764 -1.505 -0.739 390 HE2 TYR 67 HE2 TYR 67 12.212 0.930 -4.215 391 HH TYR 67 HH TYR 67 13.632 -1.521 -2.351 392 H GLU 68 H GLU 68 7.246 3.364 -3.122 393 HA GLU 68 HA GLU 68 9.637 4.773 -2.921 394 HB2 GLU 68 HB2 GLU 68 6.931 5.931 -3.591 395 HB3 GLU 68 HB3 GLU 68 8.490 6.624 -4.010 396 HG2 GLU 68 HG2 GLU 68 8.929 4.606 -5.393 397 HG3 GLU 68 HG3 GLU 68 7.272 4.095 -5.072 398 H LEU 69 H LEU 69 6.547 5.382 -1.330 399 HA LEU 69 HA LEU 69 7.168 7.800 -0.105 400 HB2 LEU 69 HB2 LEU 69 5.240 5.622 0.633 401 HB3 LEU 69 HB3 LEU 69 5.312 7.146 1.491 402 HG LEU 69 HG LEU 69 4.665 6.792 -1.438 403 HD11 LEU 69 HD11 LEU 69 2.948 6.159 0.341 404 HD12 LEU 69 HD12 LEU 69 2.451 7.307 -0.896 405 HD13 LEU 69 HD13 LEU 69 2.885 7.876 0.716 406 HD21 LEU 69 HD21 LEU 69 4.491 9.101 -1.626 407 HD22 LEU 69 HD22 LEU 69 5.958 8.888 -0.670 408 HD23 LEU 69 HD23 LEU 69 4.446 9.338 0.120 409 H MET 70 H MET 70 7.925 4.540 0.900 410 HA MET 70 HA MET 70 8.670 5.034 3.551 411 HB2 MET 70 HB2 MET 70 9.963 3.124 1.583 412 HB3 MET 70 HB3 MET 70 10.167 3.080 3.327 413 HG2 MET 70 HG2 MET 70 7.806 2.571 3.600 414 HG3 MET 70 HG3 MET 70 7.578 2.645 1.855 415 HE1 MET 70 HE1 MET 70 7.154 -1.125 2.377 416 HE2 MET 70 HE2 MET 70 6.431 0.416 1.911 417 HE3 MET 70 HE3 MET 70 6.701 0.047 3.615 418 H GLN 71 H GLN 71 10.457 5.395 0.523 419 HA GLN 71 HA GLN 71 12.895 6.259 1.794 420 HB2 GLN 71 HB2 GLN 71 12.396 6.912 -1.056 421 HB3 GLN 71 HB3 GLN 71 13.824 6.222 -0.298 422 HG2 GLN 71 HG2 GLN 71 12.751 4.057 -0.180 423 HG3 GLN 71 HG3 GLN 71 11.267 4.751 -0.849 424 HE21 GLN 71 HE22 GLN 71 12.684 6.459 -2.696 425 HE22 GLN 71 HE21 GLN 71 13.260 5.445 -3.973 426 H GLU 72 H GLU 72 10.179 7.692 0.110 427 HA GLU 72 HA GLU 72 11.060 10.342 -0.045 428 HB2 GLU 72 HB2 GLU 72 8.211 9.426 0.375 429 HB3 GLU 72 HB3 GLU 72 8.721 10.980 -0.278 430 HG2 GLU 72 HG2 GLU 72 9.819 9.716 -2.150 431 HG3 GLU 72 HG3 GLU 72 9.030 8.273 -1.520 432 H GLY 73 H GLY 73 9.906 8.527 2.667 433 HA2 GLY 73 HA2 GLY 73 10.521 9.092 4.863 434 HA3 GLY 73 HA3 GLY 73 10.711 10.768 4.365 435 H LYS 74 H LYS 74 8.008 8.560 3.886 436 HA LYS 74 HA LYS 74 6.241 10.572 5.051 437 HB2 LYS 74 HB2 LYS 74 5.474 8.013 3.669 438 HB3 LYS 74 HB3 LYS 74 4.466 9.421 3.952 439 HG2 LYS 74 HG2 LYS 74 6.911 9.495 2.195 440 HG3 LYS 74 HG3 LYS 74 5.294 9.118 1.601 441 HD2 LYS 74 HD2 LYS 74 4.707 11.261 1.569 442 HD3 LYS 74 HD3 LYS 74 5.289 11.523 3.216 443 HE2 LYS 74 HE2 LYS 74 7.327 11.240 1.092 444 HE3 LYS 74 HE3 LYS 74 6.362 12.717 1.074 445 HZ1 LYS 74 HZ1 LYS 74 7.065 13.232 3.274 446 HZ2 LYS 74 HZ2 LYS 74 8.454 12.872 2.373 447 HZ3 LYS 74 HZ3 LYS 74 7.833 11.733 3.460 448 H SER 75 H SER 75 4.630 9.955 6.537 449 HA SER 75 HA SER 75 5.468 7.960 8.482 450 HB2 SER 75 HB2 SER 75 3.064 9.804 8.587 451 HB3 SER 75 HB3 SER 75 3.828 8.968 9.938 452 HG SER 75 HG SER 75 5.742 10.250 9.446 453 H LYS 76 H LYS 76 3.492 6.631 9.443 454 HA LYS 76 HA LYS 76 2.688 4.896 7.377 455 HB2 LYS 76 HB2 LYS 76 1.993 5.163 10.258 456 HB3 LYS 76 HB3 LYS 76 0.992 4.133 9.245 457 HG2 LYS 76 HG2 LYS 76 2.649 2.789 10.309 458 HG3 LYS 76 HG3 LYS 76 3.016 2.873 8.596 459 HD2 LYS 76 HD2 LYS 76 4.322 4.842 10.397 460 HD3 LYS 76 HD3 LYS 76 4.881 3.173 10.455 461 HE2 LYS 76 HE2 LYS 76 5.239 3.248 8.017 462 HE3 LYS 76 HE3 LYS 76 4.752 4.942 8.015 463 HZ1 LYS 76 HZ1 LYS 76 7.159 4.727 8.052 464 HZ2 LYS 76 HZ2 LYS 76 7.084 3.812 9.480 465 HZ3 LYS 76 HZ3 LYS 76 6.610 5.439 9.489 466 H LYS 77 H LYS 77 0.714 7.133 9.323 467 HA LYS 77 HA LYS 77 -1.627 6.901 7.743 468 HB2 LYS 77 HB2 LYS 77 -0.835 9.347 9.323 469 HB3 LYS 77 HB3 LYS 77 -2.457 8.754 8.985 470 HG2 LYS 77 HG2 LYS 77 -0.417 7.426 10.747 471 HG3 LYS 77 HG3 LYS 77 -1.829 8.337 11.295 472 HD2 LYS 77 HD2 LYS 77 -3.298 6.715 10.200 473 HD3 LYS 77 HD3 LYS 77 -1.883 5.827 9.629 474 HE2 LYS 77 HE2 LYS 77 -1.257 5.258 11.872 475 HE3 LYS 77 HE3 LYS 77 -2.514 6.300 12.539 476 HZ1 LYS 77 HZ1 LYS 77 -4.183 4.849 11.866 477 HZ2 LYS 77 HZ2 LYS 77 -2.970 3.808 12.425 478 HZ3 LYS 77 HZ3 LYS 77 -3.191 4.033 10.758 479 H GLU 78 H GLU 78 1.255 8.766 7.454 480 HA GLU 78 HA GLU 78 0.302 10.679 5.577 481 HB2 GLU 78 HB2 GLU 78 2.285 11.092 6.917 482 HB3 GLU 78 HB3 GLU 78 3.102 9.722 6.180 483 HG2 GLU 78 HG2 GLU 78 3.934 11.750 5.226 484 HG3 GLU 78 HG3 GLU 78 3.008 10.872 4.008 485 H ILE 79 H ILE 79 1.990 7.551 5.240 486 HA ILE 79 HA ILE 79 2.271 7.580 2.459 487 HB ILE 79 HB ILE 79 2.194 5.398 4.488 488 HG12 ILE 79 HG12 ILE 79 4.211 4.972 2.610 489 HG13 ILE 79 HG13 ILE 79 4.115 6.721 2.753 490 HG21 ILE 79 HG21 ILE 79 0.795 4.852 2.312 491 HG22 ILE 79 HG22 ILE 79 1.850 3.652 3.060 492 HG23 ILE 79 HG23 ILE 79 2.402 4.554 1.646 493 HD11 ILE 79 HD11 ILE 79 4.354 4.923 5.145 494 HD12 ILE 79 HD12 ILE 79 4.660 6.655 5.038 495 HD13 ILE 79 HD13 ILE 79 5.757 5.518 4.257 496 H VAL 80 H VAL 80 -0.387 6.227 4.424 497 HA VAL 80 HA VAL 80 -1.931 5.492 2.177 498 HB VAL 80 HB VAL 80 -2.477 4.369 4.171 499 HG11 VAL 80 HG11 VAL 80 -2.935 7.053 5.445 500 HG12 VAL 80 HG12 VAL 80 -1.611 5.940 5.785 501 HG13 VAL 80 HG13 VAL 80 -3.265 5.496 6.204 502 HG21 VAL 80 HG21 VAL 80 -4.413 4.852 2.803 503 HG22 VAL 80 HG22 VAL 80 -4.633 6.383 3.650 504 HG23 VAL 80 HG23 VAL 80 -4.852 4.861 4.513 505 H ASP 81 H ASP 81 -1.793 8.448 4.098 506 HA ASP 81 HA ASP 81 -3.955 9.784 2.899 507 HB2 ASP 81 HB2 ASP 81 -2.870 10.680 4.887 508 HB3 ASP 81 HB3 ASP 81 -1.367 10.898 4.002 509 H TYR 82 H TYR 82 -0.576 9.490 2.001 510 HA TYR 82 HA TYR 82 -0.586 11.211 -0.223 511 HB2 TYR 82 HB2 TYR 82 1.371 9.929 1.036 512 HB3 TYR 82 HB3 TYR 82 1.090 8.739 -0.221 513 HD1 TYR 82 HD2 TYR 82 1.369 9.398 -2.628 514 HD2 TYR 82 HD1 TYR 82 2.564 11.936 0.571 515 HE1 TYR 82 HE2 TYR 82 2.797 10.669 -4.175 516 HE2 TYR 82 HE1 TYR 82 3.996 13.214 -0.969 517 HH TYR 82 HH TYR 82 5.156 12.855 -3.140 518 H MET 83 H MET 83 -1.301 7.805 0.183 519 HA MET 83 HA MET 83 -1.640 7.063 -2.482 520 HB2 MET 83 HB2 MET 83 -3.013 6.063 0.019 521 HB3 MET 83 HB3 MET 83 -3.182 5.296 -1.551 522 HG2 MET 83 HG2 MET 83 -0.410 5.696 -0.741 523 HG3 MET 83 HG3 MET 83 -1.326 4.660 0.347 524 HE1 MET 83 HE1 MET 83 -0.153 5.244 -3.330 525 HE2 MET 83 HE2 MET 83 -1.893 5.066 -3.552 526 HE3 MET 83 HE3 MET 83 -0.796 3.825 -4.158 527 H VAL 84 H VAL 84 -4.145 8.154 -0.155 528 HA VAL 84 HA VAL 84 -6.183 8.124 -2.144 529 HB VAL 84 HB VAL 84 -7.658 9.077 -0.580 530 HG11 VAL 84 HG11 VAL 84 -5.683 7.449 0.993 531 HG12 VAL 84 HG12 VAL 84 -6.960 6.815 -0.039 532 HG13 VAL 84 HG13 VAL 84 -7.369 7.729 1.413 533 HG21 VAL 84 HG21 VAL 84 -6.726 11.014 0.242 534 HG22 VAL 84 HG22 VAL 84 -5.227 10.221 0.728 535 HG23 VAL 84 HG23 VAL 84 -6.703 9.966 1.660 536 H ALA 85 H ALA 85 -3.881 10.504 -1.113 537 HA ALA 85 HA ALA 85 -5.196 12.784 -2.109 538 HB1 ALA 85 HB1 ALA 85 -2.877 13.791 -2.039 539 HB2 ALA 85 HB2 ALA 85 -2.311 12.212 -1.490 540 HB3 ALA 85 HB3 ALA 85 -3.481 13.114 -0.525 541 H ARG 86 H ARG 86 -2.785 10.609 -3.538 542 HA ARG 86 HA ARG 86 -2.935 12.082 -6.068 543 HB2 ARG 86 HB2 ARG 86 -1.018 10.134 -4.885 544 HB3 ARG 86 HB3 ARG 86 -1.113 10.237 -6.634 545 HG2 ARG 86 HG2 ARG 86 0.641 11.663 -5.985 546 HG3 ARG 86 HG3 ARG 86 -0.718 12.726 -6.360 547 HD2 ARG 86 HD2 ARG 86 -1.253 12.864 -3.977 548 HD3 ARG 86 HD3 ARG 86 0.111 11.815 -3.609 549 HE ARG 86 HE ARG 86 1.120 13.958 -5.052 550 HH11 ARG 86 HH11 ARG 86 -0.525 13.457 -2.009 551 HH12 ARG 86 HH12 ARG 86 0.283 14.765 -1.201 552 HH21 ARG 86 HH22 ARG 86 2.180 15.695 -4.006 553 HH22 ARG 86 HH21 ARG 86 1.798 16.065 -2.348 554 H TYR 87 H TYR 87 -3.516 8.875 -4.741 555 HA TYR 87 HA TYR 87 -4.448 7.927 -7.358 556 HB2 TYR 87 HB2 TYR 87 -3.753 6.366 -4.866 557 HB3 TYR 87 HB3 TYR 87 -4.162 5.681 -6.434 558 HD1 TYR 87 HD1 TYR 87 -1.602 7.554 -4.545 559 HD2 TYR 87 HD2 TYR 87 -2.513 5.531 -8.177 560 HE1 TYR 87 HE1 TYR 87 0.792 7.565 -5.141 561 HE2 TYR 87 HE2 TYR 87 -0.129 5.546 -8.783 562 HH TYR 87 HH TYR 87 1.907 6.794 -8.260 563 H GLY 88 H GLY 88 -5.965 9.667 -5.492 564 HA2 GLY 88 HA2 GLY 88 -7.873 8.104 -4.077 565 HA3 GLY 88 HA3 GLY 88 -8.003 9.820 -4.434 566 H ASN 89 H ASN 89 -7.495 8.466 -7.327 567 HA ASN 89 HA ASN 89 -10.182 8.592 -8.200 568 HB2 ASN 89 HB2 ASN 89 -9.289 7.662 -10.318 569 HB3 ASN 89 HB3 ASN 89 -8.363 9.044 -9.742 570 HD21 ASN 89 HD22 ASN 89 -8.348 5.660 -10.407 571 HD22 ASN 89 HD21 ASN 89 -6.656 5.401 -10.142 572 H PHE 90 H PHE 90 -8.360 6.173 -6.694 573 HA PHE 90 HA PHE 90 -10.530 4.259 -7.117 574 HB2 PHE 90 HB2 PHE 90 -8.791 3.629 -8.715 575 HB3 PHE 90 HB3 PHE 90 -7.591 3.595 -7.428 576 HD1 PHE 90 HD2 PHE 90 -10.532 1.904 -8.837 577 HD2 PHE 90 HD1 PHE 90 -7.422 1.735 -5.942 578 HE1 PHE 90 HE2 PHE 90 -11.047 -0.467 -8.429 579 HE2 PHE 90 HE1 PHE 90 -7.930 -0.637 -5.527 580 HZ PHE 90 HZ PHE 90 -9.745 -1.741 -6.773 581 H VAL 91 H VAL 91 -7.795 5.343 -5.179 582 HA VAL 91 HA VAL 91 -8.405 3.337 -3.145 583 HB VAL 91 HB VAL 91 -6.297 3.561 -2.352 584 HG11 VAL 91 HG11 VAL 91 -5.728 5.056 -4.896 585 HG12 VAL 91 HG12 VAL 91 -6.152 3.337 -4.869 586 HG13 VAL 91 HG13 VAL 91 -4.696 3.898 -4.044 587 HG21 VAL 91 HG21 VAL 91 -6.530 5.722 -1.385 588 HG22 VAL 91 HG22 VAL 91 -6.453 6.500 -2.966 589 HG23 VAL 91 HG23 VAL 91 -5.026 5.703 -2.304 590 H THR 92 H THR 92 -8.569 4.013 -0.855 591 HA THR 92 HA THR 92 -9.471 6.734 -0.386 592 HB THR 92 HB THR 92 -11.325 4.376 0.080 593 HG1 THR 92 HG1 THR 92 -10.895 5.885 -2.127 594 HG21 THR 92 HG21 THR 92 -11.602 6.220 1.696 595 HG22 THR 92 HG22 THR 92 -13.007 6.033 0.646 596 HG23 THR 92 HG23 THR 92 -11.856 7.337 0.354 597 H TYR 93 H TYR 93 -9.480 7.309 1.822 598 HA TYR 93 HA TYR 93 -8.499 5.211 3.639 599 HB2 TYR 93 HB2 TYR 93 -6.975 7.168 3.319 600 HB3 TYR 93 HB3 TYR 93 -8.225 8.207 3.996 601 HD1 TYR 93 HD1 TYR 93 -7.122 4.811 5.040 602 HD2 TYR 93 HD2 TYR 93 -7.361 8.934 6.062 603 HE1 TYR 93 HE1 TYR 93 -6.275 4.292 7.284 604 HE2 TYR 93 HE2 TYR 93 -6.512 8.425 8.318 605 HH TYR 93 HH TYR 93 -5.156 5.357 9.119 606 H ASP 94 H ASP 94 -10.094 4.387 4.718 607 HA ASP 94 HA ASP 94 -12.036 5.974 6.152 608 HB2 ASP 94 HB2 ASP 94 -12.651 5.084 3.513 609 HB3 ASP 94 HB3 ASP 94 -13.521 4.034 4.625 610 HA PRO 95 HA PRO 95 -12.070 2.309 8.789 611 HB2 PRO 95 HB3 PRO 95 -14.836 1.909 8.961 612 HB3 PRO 95 HB2 PRO 95 -13.880 2.924 10.043 613 HG2 PRO 95 HG2 PRO 95 -15.529 3.696 7.681 614 HG3 PRO 95 HG3 PRO 95 -15.294 4.550 9.219 615 HD2 PRO 95 HD2 PRO 95 -14.061 5.343 6.981 616 HD3 PRO 95 HD3 PRO 95 -13.240 5.423 8.558 617 HA PRO 96 HA PRO 96 -12.280 -0.574 5.503 618 HB2 PRO 96 HB3 PRO 96 -11.627 -2.778 7.206 619 HB3 PRO 96 HB2 PRO 96 -10.554 -1.838 6.176 620 HG2 PRO 96 HG2 PRO 96 -10.510 -1.851 8.941 621 HG3 PRO 96 HG3 PRO 96 -9.773 -0.623 7.902 622 HD2 PRO 96 HD2 PRO 96 -12.322 -0.545 9.423 623 HD3 PRO 96 HD3 PRO 96 -11.194 0.764 9.015 624 H LEU 97 H LEU 97 -12.826 -3.348 5.843 625 HA LEU 97 HA LEU 97 -15.705 -3.185 5.674 626 HB2 LEU 97 HB2 LEU 97 -13.758 -5.433 5.208 627 HB3 LEU 97 HB3 LEU 97 -15.491 -5.647 5.089 628 HG LEU 97 HG LEU 97 -14.695 -5.390 2.877 629 HD11 LEU 97 HD11 LEU 97 -16.745 -4.175 3.317 630 HD12 LEU 97 HD12 LEU 97 -15.770 -3.325 2.118 631 HD13 LEU 97 HD13 LEU 97 -15.820 -2.748 3.784 632 HD21 LEU 97 HD21 LEU 97 -12.502 -4.468 3.333 633 HD22 LEU 97 HD22 LEU 97 -13.223 -2.934 3.822 634 HD23 LEU 97 HD23 LEU 97 -13.340 -3.470 2.145 635 H THR 98 H THR 98 -13.811 -3.322 8.208 636 HA THR 98 HA THR 98 -14.635 -5.467 9.775 637 HB THR 98 HB THR 98 -12.745 -3.962 10.349 638 HG1 THR 98 HG1 THR 98 -14.798 -4.517 12.209 639 HG21 THR 98 HG21 THR 98 -13.195 -1.830 11.495 640 HG22 THR 98 HG22 THR 98 -14.910 -2.005 11.120 641 HG23 THR 98 HG23 THR 98 -13.738 -1.810 9.817 642 HA PRO 99 HA PRO 99 -18.880 -4.298 10.727 643 HB2 PRO 99 HB3 PRO 99 -19.240 -6.268 12.601 644 HB3 PRO 99 HB2 PRO 99 -19.445 -6.510 10.864 645 HG2 PRO 99 HG2 PRO 99 -17.155 -7.232 12.624 646 HG3 PRO 99 HG3 PRO 99 -17.830 -8.104 11.236 647 HD2 PRO 99 HD2 PRO 99 -15.542 -6.623 11.113 648 HD3 PRO 99 HD3 PRO 99 -16.613 -6.886 9.724 Start of MODEL 19 1 H THR 19 H1 THR 19 13.364 -15.691 -7.277 2 HA THR 19 HA THR 19 13.491 -13.177 -8.826 3 HB THR 19 HB THR 19 12.426 -15.041 -9.994 4 HG1 THR 19 HG1 THR 19 10.111 -14.014 -9.834 5 HG21 THR 19 HG21 THR 19 10.588 -15.202 -7.607 6 HG22 THR 19 HG22 THR 19 11.799 -16.398 -8.070 7 HG23 THR 19 HG23 THR 19 10.403 -16.105 -9.110 8 H ILE 20 H ILE 20 12.249 -11.474 -8.180 9 HA ILE 20 HA ILE 20 10.306 -11.425 -6.182 10 HB ILE 20 HB ILE 20 12.378 -12.021 -4.789 11 HG12 ILE 20 HG12 ILE 20 10.183 -10.866 -3.988 12 HG13 ILE 20 HG13 ILE 20 11.567 -10.921 -2.908 13 HG21 ILE 20 HG21 ILE 20 13.075 -9.143 -5.325 14 HG22 ILE 20 HG22 ILE 20 13.959 -10.555 -5.906 15 HG23 ILE 20 HG23 ILE 20 13.886 -10.210 -4.178 16 HD11 ILE 20 HD11 ILE 20 10.469 -8.759 -2.845 17 HD12 ILE 20 HD12 ILE 20 10.722 -8.564 -4.582 18 HD13 ILE 20 HD13 ILE 20 12.105 -8.612 -3.487 19 H ASP 21 H ASP 21 9.532 -9.237 -5.881 20 HA ASP 21 HA ASP 21 9.809 -7.608 -8.131 21 HB2 ASP 21 HB2 ASP 21 8.655 -7.063 -5.400 22 HB3 ASP 21 HB3 ASP 21 8.583 -5.894 -6.713 23 H VAL 22 H VAL 22 10.361 -5.287 -8.085 24 HA VAL 22 HA VAL 22 13.093 -4.957 -7.278 25 HB VAL 22 HB VAL 22 12.061 -4.047 -9.398 26 HG11 VAL 22 HG11 VAL 22 10.013 -3.153 -8.286 27 HG12 VAL 22 HG12 VAL 22 10.818 -2.005 -9.356 28 HG13 VAL 22 HG13 VAL 22 11.007 -1.863 -7.609 29 HG21 VAL 22 HG21 VAL 22 14.257 -3.313 -8.611 30 HG22 VAL 22 HG22 VAL 22 13.491 -2.058 -7.637 31 HG23 VAL 22 HG23 VAL 22 13.387 -1.996 -9.398 32 H LEU 23 H LEU 23 10.387 -4.809 -5.516 33 HA LEU 23 HA LEU 23 10.720 -2.312 -4.141 34 HB2 LEU 23 HB2 LEU 23 9.148 -4.658 -3.116 35 HB3 LEU 23 HB3 LEU 23 8.864 -2.953 -2.840 36 HG LEU 23 HG LEU 23 8.301 -4.539 -5.340 37 HD11 LEU 23 HD11 LEU 23 6.535 -2.878 -3.550 38 HD12 LEU 23 HD12 LEU 23 6.628 -4.639 -3.565 39 HD13 LEU 23 HD13 LEU 23 6.023 -3.775 -4.978 40 HD21 LEU 23 HD21 LEU 23 9.182 -2.543 -6.220 41 HD22 LEU 23 HD22 LEU 23 8.421 -1.553 -4.975 42 HD23 LEU 23 HD23 LEU 23 7.434 -2.311 -6.221 43 H GLN 24 H GLN 24 12.751 -2.244 -3.271 44 HA GLN 24 HA GLN 24 13.743 -4.483 -1.741 45 HB2 GLN 24 HB2 GLN 24 14.949 -1.845 -2.528 46 HB3 GLN 24 HB3 GLN 24 15.768 -2.982 -1.466 47 HG2 GLN 24 HG2 GLN 24 14.900 -3.487 -4.300 48 HG3 GLN 24 HG3 GLN 24 16.551 -3.244 -3.729 49 HE21 GLN 24 HE22 GLN 24 15.368 -5.531 -5.120 50 HE22 GLN 24 HE21 GLN 24 15.649 -6.901 -4.093 51 H PHE 25 H PHE 25 13.275 -4.764 0.278 52 HA PHE 25 HA PHE 25 12.688 -2.474 2.009 53 HB2 PHE 25 HB2 PHE 25 12.551 -5.413 2.716 54 HB3 PHE 25 HB3 PHE 25 11.794 -4.060 3.565 55 HD1 PHE 25 HD1 PHE 25 10.056 -2.694 2.224 56 HD2 PHE 25 HD2 PHE 25 11.324 -6.617 1.175 57 HE1 PHE 25 HE1 PHE 25 8.002 -3.002 0.907 58 HE2 PHE 25 HE2 PHE 25 9.275 -6.930 -0.150 59 HZ PHE 25 HZ PHE 25 7.611 -5.101 -0.288 60 H LYS 26 H LYS 26 14.022 -1.736 3.434 61 HA LYS 26 HA LYS 26 16.737 -2.173 3.359 62 HB2 LYS 26 HB2 LYS 26 16.303 -0.157 4.285 63 HB3 LYS 26 HB3 LYS 26 14.812 -0.704 5.021 64 HG2 LYS 26 HG2 LYS 26 17.088 -1.878 6.333 65 HG3 LYS 26 HG3 LYS 26 17.200 -0.111 6.301 66 HD2 LYS 26 HD2 LYS 26 14.753 -1.642 7.172 67 HD3 LYS 26 HD3 LYS 26 15.991 -1.050 8.291 68 HE2 LYS 26 HE2 LYS 26 14.171 0.560 6.512 69 HE3 LYS 26 HE3 LYS 26 14.172 0.500 8.270 70 HZ1 LYS 26 HZ1 LYS 26 16.360 1.604 6.587 71 HZ2 LYS 26 HZ2 LYS 26 16.347 1.541 8.285 72 HZ3 LYS 26 HZ3 LYS 26 15.225 2.513 7.463 73 H ASP 27 H ASP 27 14.294 -3.635 5.345 74 HA ASP 27 HA ASP 27 15.919 -5.907 5.847 75 HB2 ASP 27 HB2 ASP 27 16.161 -5.798 8.195 76 HB3 ASP 27 HB3 ASP 27 16.607 -4.185 7.651 77 H GLU 28 H GLU 28 14.415 -7.119 7.831 78 HA GLU 28 HA GLU 28 12.038 -7.736 6.442 79 HB2 GLU 28 HB2 GLU 28 11.430 -9.084 8.386 80 HB3 GLU 28 HB3 GLU 28 13.110 -9.347 7.951 81 HG2 GLU 28 HG2 GLU 28 12.362 -7.387 10.083 82 HG3 GLU 28 HG3 GLU 28 12.473 -9.112 10.430 83 H ALA 29 H ALA 29 12.805 -5.395 8.916 84 HA ALA 29 HA ALA 29 10.162 -4.911 9.807 85 HB1 ALA 29 HB1 ALA 29 11.020 -3.017 10.929 86 HB2 ALA 29 HB2 ALA 29 12.402 -2.902 9.828 87 HB3 ALA 29 HB3 ALA 29 12.291 -4.241 10.981 88 H GLN 30 H GLN 30 12.179 -3.352 7.299 89 HA GLN 30 HA GLN 30 10.312 -1.363 6.599 90 HB2 GLN 30 HB2 GLN 30 12.783 -1.769 5.673 91 HB3 GLN 30 HB3 GLN 30 11.915 -2.650 4.422 92 HG2 GLN 30 HG2 GLN 30 10.481 -0.614 4.154 93 HG3 GLN 30 HG3 GLN 30 11.643 0.240 5.163 94 HE21 GLN 30 HE22 GLN 30 10.966 -1.103 2.073 95 HE22 GLN 30 HE21 GLN 30 12.393 -0.543 1.264 96 H GLU 31 H GLU 31 10.592 -4.725 5.803 97 HA GLU 31 HA GLU 31 8.592 -4.789 3.786 98 HB2 GLU 31 HB2 GLU 31 10.321 -6.484 3.939 99 HB3 GLU 31 HB3 GLU 31 9.776 -6.942 5.539 100 HG2 GLU 31 HG2 GLU 31 7.715 -7.806 4.636 101 HG3 GLU 31 HG3 GLU 31 8.155 -7.242 3.023 102 H GLN 32 H GLN 32 8.608 -5.190 7.292 103 HA GLN 32 HA GLN 32 5.909 -6.030 7.578 104 HB2 GLN 32 HB2 GLN 32 7.610 -4.431 9.506 105 HB3 GLN 32 HB3 GLN 32 6.183 -5.371 9.919 106 HG2 GLN 32 HG2 GLN 32 7.418 -7.410 9.195 107 HG3 GLN 32 HG3 GLN 32 8.848 -6.401 8.982 108 HE21 GLN 32 HE22 GLN 32 6.681 -7.854 11.243 109 HE22 GLN 32 HE21 GLN 32 7.637 -7.579 12.654 110 H GLN 33 H GLN 33 7.509 -2.872 7.470 111 HA GLN 33 HA GLN 33 5.306 -1.234 8.001 112 HB2 GLN 33 HB2 GLN 33 7.646 -0.413 7.764 113 HB3 GLN 33 HB3 GLN 33 7.536 -0.678 6.031 114 HG2 GLN 33 HG2 GLN 33 5.695 0.944 5.918 115 HG3 GLN 33 HG3 GLN 33 5.865 1.228 7.650 116 HE21 GLN 33 HE22 GLN 33 8.807 1.000 7.510 117 HE22 GLN 33 HE21 GLN 33 9.352 2.488 6.798 118 H PHE 34 H PHE 34 6.444 -2.698 5.017 119 HA PHE 34 HA PHE 34 4.588 -1.630 3.230 120 HB2 PHE 34 HB2 PHE 34 6.566 -2.899 2.527 121 HB3 PHE 34 HB3 PHE 34 5.905 -4.360 3.247 122 HD1 PHE 34 HD1 PHE 34 5.395 -1.876 0.557 123 HD2 PHE 34 HD2 PHE 34 4.456 -5.753 2.041 124 HE1 PHE 34 HE1 PHE 34 4.302 -2.423 -1.577 125 HE2 PHE 34 HE2 PHE 34 3.364 -6.306 -0.091 126 HZ PHE 34 HZ PHE 34 3.343 -4.678 -1.920 127 H ARG 35 H ARG 35 4.379 -4.385 5.414 128 HA ARG 35 HA ARG 35 1.953 -5.478 4.552 129 HB2 ARG 35 HB2 ARG 35 3.494 -5.482 7.098 130 HB3 ARG 35 HB3 ARG 35 1.821 -5.995 7.169 131 HG2 ARG 35 HG2 ARG 35 3.367 -7.863 6.937 132 HG3 ARG 35 HG3 ARG 35 2.258 -7.759 5.566 133 HD2 ARG 35 HD2 ARG 35 4.213 -6.363 4.541 134 HD3 ARG 35 HD3 ARG 35 5.179 -7.226 5.728 135 HE ARG 35 HE ARG 35 3.680 -8.450 3.505 136 HH11 ARG 35 HH11 ARG 35 5.987 -8.707 6.122 137 HH12 ARG 35 HH12 ARG 35 6.650 -10.216 5.570 138 HH21 ARG 35 HH22 ARG 35 4.533 -10.442 2.772 139 HH22 ARG 35 HH21 ARG 35 5.811 -11.208 3.659 140 H GLN 36 H GLN 36 2.563 -3.049 7.078 141 HA GLN 36 HA GLN 36 -0.180 -2.738 7.760 142 HB2 GLN 36 HB2 GLN 36 2.116 -0.831 8.254 143 HB3 GLN 36 HB3 GLN 36 0.566 -0.830 9.083 144 HG2 GLN 36 HG2 GLN 36 1.042 -2.937 10.114 145 HG3 GLN 36 HG3 GLN 36 2.524 -3.109 9.175 146 HE21 GLN 36 HE22 GLN 36 3.792 -3.272 11.006 147 HE22 GLN 36 HE21 GLN 36 4.132 -1.919 12.023 148 H LEU 37 H LEU 37 2.047 -0.917 5.738 149 HA LEU 37 HA LEU 37 0.314 1.233 5.215 150 HB2 LEU 37 HB2 LEU 37 2.646 0.190 3.607 151 HB3 LEU 37 HB3 LEU 37 1.851 1.731 3.338 152 HG LEU 37 HG LEU 37 3.429 0.902 5.770 153 HD11 LEU 37 HD11 LEU 37 4.866 1.482 3.965 154 HD12 LEU 37 HD12 LEU 37 4.835 2.845 5.086 155 HD13 LEU 37 HD13 LEU 37 3.906 2.915 3.589 156 HD21 LEU 37 HD21 LEU 37 3.036 3.259 6.515 157 HD22 LEU 37 HD22 LEU 37 1.613 2.217 6.569 158 HD23 LEU 37 HD23 LEU 37 1.803 3.383 5.259 159 H THR 38 H THR 38 0.458 -1.969 3.896 160 HA THR 38 HA THR 38 -1.326 -1.197 1.719 161 HB THR 38 HB THR 38 -1.169 -3.635 1.068 162 HG1 THR 38 HG1 THR 38 1.062 -3.632 2.840 163 HG21 THR 38 HG21 THR 38 1.123 -1.719 1.006 164 HG22 THR 38 HG22 THR 38 0.062 -2.244 -0.295 165 HG23 THR 38 HG23 THR 38 1.303 -3.331 0.323 166 H GLU 39 H GLU 39 -1.643 -2.120 4.930 167 HA GLU 39 HA GLU 39 -4.059 -3.706 4.482 168 HB2 GLU 39 HB2 GLU 39 -2.500 -3.031 6.966 169 HB3 GLU 39 HB3 GLU 39 -4.070 -3.820 7.029 170 HG2 GLU 39 HG2 GLU 39 -3.160 -5.648 5.637 171 HG3 GLU 39 HG3 GLU 39 -1.581 -4.868 5.705 172 H GLU 40 H GLU 40 -3.125 -0.539 5.749 173 HA GLU 40 HA GLU 40 -5.845 -0.013 6.611 174 HB2 GLU 40 HB2 GLU 40 -3.344 1.665 6.713 175 HB3 GLU 40 HB3 GLU 40 -4.916 2.247 7.243 176 HG2 GLU 40 HG2 GLU 40 -4.979 0.270 8.811 177 HG3 GLU 40 HG3 GLU 40 -3.283 0.013 8.404 178 H LEU 41 H LEU 41 -4.682 -0.128 3.663 179 HA LEU 41 HA LEU 41 -6.038 2.319 2.775 180 HB2 LEU 41 HB2 LEU 41 -3.803 2.195 1.920 181 HB3 LEU 41 HB3 LEU 41 -4.043 0.555 1.358 182 HG LEU 41 HG LEU 41 -5.539 1.289 -0.376 183 HD11 LEU 41 HD11 LEU 41 -6.733 3.027 0.734 184 HD12 LEU 41 HD12 LEU 41 -5.971 3.717 -0.707 185 HD13 LEU 41 HD13 LEU 41 -5.268 4.009 0.885 186 HD21 LEU 41 HD21 LEU 41 -3.271 1.378 -1.034 187 HD22 LEU 41 HD22 LEU 41 -3.004 2.882 -0.156 188 HD23 LEU 41 HD23 LEU 41 -4.008 2.876 -1.605 189 H ARG 42 H ARG 42 -7.906 2.217 1.742 190 HA ARG 42 HA ARG 42 -9.120 -0.371 1.307 191 HB2 ARG 42 HB2 ARG 42 -10.080 2.395 1.580 192 HB3 ARG 42 HB3 ARG 42 -10.953 1.430 0.401 193 HG2 ARG 42 HG2 ARG 42 -11.192 -0.296 2.283 194 HG3 ARG 42 HG3 ARG 42 -10.724 1.034 3.356 195 HD2 ARG 42 HD2 ARG 42 -12.530 2.393 2.519 196 HD3 ARG 42 HD3 ARG 42 -12.964 1.150 1.353 197 HE ARG 42 HE ARG 42 -13.099 0.519 4.212 198 HH11 ARG 42 HH11 ARG 42 -14.692 1.103 1.149 199 HH12 ARG 42 HH12 ARG 42 -16.250 0.562 1.703 200 HH21 ARG 42 HH22 ARG 42 -15.138 -0.204 4.958 201 HH22 ARG 42 HH21 ARG 42 -16.501 -0.193 3.876 202 H CYS 43 H CYS 43 -9.226 -1.360 -0.582 203 HA CYS 43 HA CYS 43 -9.321 0.308 -3.001 204 HB2 CYS 43 HB2 CYS 43 -8.488 -1.804 -4.191 205 HB3 CYS 43 HB3 CYS 43 -7.316 -0.914 -3.227 206 HG CYS 43 HG CYS 43 -8.891 -3.806 -2.285 207 HA PRO 44 HA PRO 44 -13.687 -0.540 -2.410 208 HB2 PRO 44 HB3 PRO 44 -13.416 -0.359 -5.384 209 HB3 PRO 44 HB2 PRO 44 -14.612 0.386 -4.319 210 HG2 PRO 44 HG2 PRO 44 -12.345 1.648 -5.281 211 HG3 PRO 44 HG3 PRO 44 -13.263 2.153 -3.854 212 HD2 PRO 44 HD2 PRO 44 -10.593 1.159 -3.940 213 HD3 PRO 44 HD3 PRO 44 -11.553 1.550 -2.503 214 H LYS 45 H LYS 45 -13.432 -2.730 -1.722 215 HA LYS 45 HA LYS 45 -14.729 -4.617 -3.355 216 HB2 LYS 45 HB2 LYS 45 -12.417 -4.577 -4.415 217 HB3 LYS 45 HB3 LYS 45 -11.804 -5.239 -2.907 218 HG2 LYS 45 HG2 LYS 45 -12.146 -6.966 -4.590 219 HG3 LYS 45 HG3 LYS 45 -13.184 -7.214 -3.188 220 HD2 LYS 45 HD2 LYS 45 -15.077 -6.306 -4.373 221 HD3 LYS 45 HD3 LYS 45 -14.058 -5.882 -5.750 222 HE2 LYS 45 HE2 LYS 45 -14.385 -8.701 -4.758 223 HE3 LYS 45 HE3 LYS 45 -15.440 -7.990 -5.979 224 HZ1 LYS 45 HZ1 LYS 45 -12.483 -8.238 -6.221 225 HZ2 LYS 45 HZ2 LYS 45 -13.542 -7.639 -7.403 226 HZ3 LYS 45 HZ3 LYS 45 -13.607 -9.270 -6.950 227 H CYS 46 H CYS 46 -15.717 -5.970 -1.992 228 HA CYS 46 HA CYS 46 -15.309 -5.829 0.808 229 HB2 CYS 46 HB2 CYS 46 -16.821 -7.905 -0.779 230 HB3 CYS 46 HB3 CYS 46 -17.000 -7.582 0.942 231 HG CYS 46 HG CYS 46 -17.943 -5.568 -1.652 232 H GLN 47 H GLN 47 -14.176 -7.976 -1.666 233 HA GLN 47 HA GLN 47 -13.261 -9.954 0.240 234 HB2 GLN 47 HB2 GLN 47 -12.942 -9.829 -2.759 235 HB3 GLN 47 HB3 GLN 47 -12.579 -11.220 -1.744 236 HG2 GLN 47 HG2 GLN 47 -15.302 -9.967 -2.010 237 HG3 GLN 47 HG3 GLN 47 -14.754 -11.366 -2.934 238 HE21 GLN 47 HE22 GLN 47 -16.435 -12.605 -2.067 239 HE22 GLN 47 HE21 GLN 47 -16.383 -13.199 -0.439 240 H ASN 48 H ASN 48 -11.668 -8.172 -2.410 241 HA ASN 48 HA ASN 48 -9.150 -8.283 -0.954 242 HB2 ASN 48 HB2 ASN 48 -9.794 -7.199 -3.694 243 HB3 ASN 48 HB3 ASN 48 -8.180 -7.297 -3.006 244 HD21 ASN 48 HD22 ASN 48 -8.694 -9.876 -1.728 245 HD22 ASN 48 HD21 ASN 48 -8.692 -11.046 -3.002 246 H ASN 49 H ASN 49 -10.279 -6.935 0.706 247 HA ASN 49 HA ASN 49 -10.973 -4.248 0.057 248 HB2 ASN 49 HB2 ASN 49 -11.503 -3.964 2.373 249 HB3 ASN 49 HB3 ASN 49 -12.061 -5.550 1.868 250 HD21 ASN 49 HD22 ASN 49 -9.375 -6.751 2.020 251 HD22 ASN 49 HD21 ASN 49 -9.023 -6.907 3.700 252 H SER 50 H SER 50 -8.003 -5.708 0.783 253 HA SER 50 HA SER 50 -6.802 -3.065 1.203 254 HB2 SER 50 HB2 SER 50 -5.964 -5.634 2.580 255 HB3 SER 50 HB3 SER 50 -5.175 -4.065 2.751 256 HG SER 50 HG SER 50 -7.018 -3.268 3.739 257 H ILE 51 H ILE 51 -4.888 -2.703 0.115 258 HA ILE 51 HA ILE 51 -4.586 -4.176 -2.281 259 HB ILE 51 HB ILE 51 -2.643 -2.727 -2.745 260 HG12 ILE 51 HG12 ILE 51 -3.244 -1.504 -0.043 261 HG13 ILE 51 HG13 ILE 51 -1.847 -2.508 -0.405 262 HG21 ILE 51 HG21 ILE 51 -4.787 -1.960 -3.436 263 HG22 ILE 51 HG22 ILE 51 -3.928 -0.581 -2.749 264 HG23 ILE 51 HG23 ILE 51 -5.176 -1.398 -1.808 265 HD11 ILE 51 HD11 ILE 51 -2.469 0.159 -1.648 266 HD12 ILE 51 HD12 ILE 51 -1.074 -0.852 -2.017 267 HD13 ILE 51 HD13 ILE 51 -1.258 -0.159 -0.406 268 H ALA 52 H ALA 52 -3.265 -4.681 0.806 269 HA ALA 52 HA ALA 52 -0.783 -5.801 0.381 270 HB1 ALA 52 HB1 ALA 52 -2.922 -6.876 2.224 271 HB2 ALA 52 HB2 ALA 52 -1.842 -5.533 2.599 272 HB3 ALA 52 HB3 ALA 52 -1.186 -7.153 2.360 273 H ASP 53 H ASP 53 -3.879 -7.544 0.366 274 HA ASP 53 HA ASP 53 -2.759 -9.355 -1.655 275 HB2 ASP 53 HB2 ASP 53 -4.440 -10.002 0.753 276 HB3 ASP 53 HB3 ASP 53 -4.468 -11.044 -0.666 277 H SER 54 H SER 54 -3.599 -7.830 -3.135 278 HA SER 54 HA SER 54 -6.535 -7.742 -3.322 279 HB2 SER 54 HB2 SER 54 -6.068 -5.630 -4.671 280 HB3 SER 54 HB3 SER 54 -5.710 -5.546 -2.944 281 HG SER 54 HG SER 54 -3.582 -5.592 -3.358 282 H ASN 55 H ASN 55 -3.552 -8.447 -4.943 283 HA ASN 55 HA ASN 55 -3.102 -9.754 -6.745 284 HB2 ASN 55 HB2 ASN 55 -6.090 -10.146 -6.752 285 HB3 ASN 55 HB3 ASN 55 -5.027 -10.921 -7.916 286 HD21 ASN 55 HD22 ASN 55 -4.168 -10.395 -4.560 287 HD22 ASN 55 HD21 ASN 55 -4.199 -12.058 -4.095 288 H SER 56 H SER 56 -4.471 -6.826 -6.877 289 HA SER 56 HA SER 56 -5.136 -6.787 -9.699 290 HB2 SER 56 HB2 SER 56 -6.556 -5.472 -8.288 291 HB3 SER 56 HB3 SER 56 -5.174 -4.638 -7.580 292 HG SER 56 HG SER 56 -6.580 -3.879 -9.653 293 H MET 57 H MET 57 -4.011 -5.861 -11.291 294 HA MET 57 HA MET 57 -1.241 -5.606 -11.234 295 HB2 MET 57 HB2 MET 57 -2.817 -3.951 -13.157 296 HB3 MET 57 HB3 MET 57 -1.381 -4.917 -13.442 297 HG2 MET 57 HG2 MET 57 -2.626 -6.546 -14.229 298 HG3 MET 57 HG3 MET 57 -3.487 -6.648 -12.694 299 HE1 MET 57 HE1 MET 57 -6.395 -4.099 -13.220 300 HE2 MET 57 HE2 MET 57 -4.901 -4.108 -12.277 301 HE3 MET 57 HE3 MET 57 -5.958 -5.526 -12.282 302 H ILE 58 H ILE 58 -3.785 -3.212 -10.968 303 HA ILE 58 HA ILE 58 -1.938 -1.011 -10.909 304 HB ILE 58 HB ILE 58 -3.702 0.244 -11.473 305 HG12 ILE 58 HG12 ILE 58 -5.996 -0.081 -10.237 306 HG13 ILE 58 HG13 ILE 58 -5.015 -0.959 -9.069 307 HG21 ILE 58 HG21 ILE 58 -5.012 -2.461 -11.541 308 HG22 ILE 58 HG22 ILE 58 -4.238 -1.580 -12.865 309 HG23 ILE 58 HG23 ILE 58 -5.765 -1.003 -12.196 310 HD11 ILE 58 HD11 ILE 58 -4.823 1.927 -9.882 311 HD12 ILE 58 HD12 ILE 58 -3.556 1.098 -8.975 312 HD13 ILE 58 HD13 ILE 58 -5.174 1.259 -8.286 313 H ALA 59 H ALA 59 -3.775 -2.920 -8.619 314 HA ALA 59 HA ALA 59 -3.397 -1.362 -6.306 315 HB1 ALA 59 HB1 ALA 59 -4.933 -3.215 -6.323 316 HB2 ALA 59 HB2 ALA 59 -3.706 -3.511 -5.093 317 HB3 ALA 59 HB3 ALA 59 -3.623 -4.352 -6.638 318 H THR 60 H THR 60 -1.322 -3.669 -7.966 319 HA THR 60 HA THR 60 0.774 -3.667 -6.055 320 HB THR 60 HB THR 60 0.821 -4.247 -9.022 321 HG1 THR 60 HG1 THR 60 0.162 -6.177 -8.434 322 HG21 THR 60 HG21 THR 60 3.032 -3.623 -8.103 323 HG22 THR 60 HG22 THR 60 2.959 -5.297 -8.658 324 HG23 THR 60 HG23 THR 60 2.886 -4.934 -6.932 325 H ASP 61 H ASP 61 0.079 -1.691 -8.903 326 HA ASP 61 HA ASP 61 2.372 -0.095 -8.939 327 HB2 ASP 61 HB2 ASP 61 0.325 -0.118 -10.557 328 HB3 ASP 61 HB3 ASP 61 -0.361 1.055 -9.446 329 H LEU 62 H LEU 62 -0.621 0.192 -7.127 330 HA LEU 62 HA LEU 62 -0.077 2.554 -5.714 331 HB2 LEU 62 HB2 LEU 62 -1.607 0.148 -4.720 332 HB3 LEU 62 HB3 LEU 62 -1.781 1.800 -4.164 333 HG LEU 62 HG LEU 62 -2.468 0.836 -6.940 334 HD11 LEU 62 HD11 LEU 62 -4.191 1.361 -4.536 335 HD12 LEU 62 HD12 LEU 62 -4.006 -0.149 -5.422 336 HD13 LEU 62 HD13 LEU 62 -4.814 1.225 -6.178 337 HD21 LEU 62 HD21 LEU 62 -3.514 3.011 -7.203 338 HD22 LEU 62 HD22 LEU 62 -1.799 3.187 -6.835 339 HD23 LEU 62 HD23 LEU 62 -3.005 3.473 -5.579 340 H ARG 63 H ARG 63 0.719 -0.814 -5.053 341 HA ARG 63 HA ARG 63 1.873 -0.353 -2.509 342 HB2 ARG 63 HB2 ARG 63 2.147 -2.628 -4.468 343 HB3 ARG 63 HB3 ARG 63 2.896 -2.633 -2.877 344 HG2 ARG 63 HG2 ARG 63 0.615 -2.279 -1.905 345 HG3 ARG 63 HG3 ARG 63 -0.036 -2.546 -3.522 346 HD2 ARG 63 HD2 ARG 63 1.759 -4.513 -2.134 347 HD3 ARG 63 HD3 ARG 63 0.006 -4.542 -1.968 348 HE ARG 63 HE ARG 63 0.483 -4.542 -4.676 349 HH11 ARG 63 HH11 ARG 63 1.322 -6.598 -1.975 350 HH12 ARG 63 HH12 ARG 63 1.467 -8.034 -2.933 351 HH21 ARG 63 HH22 ARG 63 0.652 -6.439 -5.963 352 HH22 ARG 63 HH21 ARG 63 1.077 -7.948 -5.201 353 H GLN 64 H GLN 64 3.113 -0.209 -5.777 354 HA GLN 64 HA GLN 64 5.846 0.069 -5.176 355 HB2 GLN 64 HB2 GLN 64 4.259 1.398 -7.371 356 HB3 GLN 64 HB3 GLN 64 6.010 1.280 -7.311 357 HG2 GLN 64 HG2 GLN 64 5.867 -1.137 -7.489 358 HG3 GLN 64 HG3 GLN 64 4.109 -1.045 -7.484 359 HE21 GLN 64 HE22 GLN 64 6.039 1.333 -9.109 360 HE22 GLN 64 HE21 GLN 64 5.627 0.862 -10.722 361 H LYS 65 H LYS 65 3.201 2.423 -5.314 362 HA LYS 65 HA LYS 65 4.693 4.704 -4.703 363 HB2 LYS 65 HB2 LYS 65 2.387 4.858 -5.424 364 HB3 LYS 65 HB3 LYS 65 1.839 4.064 -3.955 365 HG2 LYS 65 HG2 LYS 65 1.437 6.317 -3.514 366 HG3 LYS 65 HG3 LYS 65 2.990 6.012 -2.748 367 HD2 LYS 65 HD2 LYS 65 3.046 6.936 -5.566 368 HD3 LYS 65 HD3 LYS 65 2.617 8.113 -4.320 369 HE2 LYS 65 HE2 LYS 65 4.641 7.784 -3.178 370 HE3 LYS 65 HE3 LYS 65 5.007 6.333 -4.097 371 HZ1 LYS 65 HZ1 LYS 65 5.713 7.525 -5.884 372 HZ2 LYS 65 HZ2 LYS 65 6.185 8.566 -4.629 373 HZ3 LYS 65 HZ3 LYS 65 4.771 8.887 -5.521 374 H VAL 66 H VAL 66 2.977 2.456 -2.565 375 HA VAL 66 HA VAL 66 3.676 3.498 -0.101 376 HB VAL 66 HB VAL 66 3.314 0.609 -0.935 377 HG11 VAL 66 HG11 VAL 66 4.749 0.990 1.143 378 HG12 VAL 66 HG12 VAL 66 3.347 -0.069 1.300 379 HG13 VAL 66 HG13 VAL 66 3.274 1.590 1.897 380 HG21 VAL 66 HG21 VAL 66 1.143 0.854 0.116 381 HG22 VAL 66 HG22 VAL 66 1.363 2.081 -1.130 382 HG23 VAL 66 HG23 VAL 66 1.531 2.513 0.570 383 H TYR 67 H TYR 67 5.573 1.339 -2.193 384 HA TYR 67 HA TYR 67 7.795 1.037 -0.503 385 HB2 TYR 67 HB2 TYR 67 7.670 -0.420 -2.359 386 HB3 TYR 67 HB3 TYR 67 7.469 0.909 -3.495 387 HD1 TYR 67 HD1 TYR 67 9.978 -0.369 -1.023 388 HD2 TYR 67 HD2 TYR 67 9.292 1.536 -4.765 389 HE1 TYR 67 HE1 TYR 67 12.399 -0.355 -1.456 390 HE2 TYR 67 HE2 TYR 67 11.709 1.551 -5.206 391 HH TYR 67 HH TYR 67 13.808 1.482 -3.928 392 H GLU 68 H GLU 68 7.272 3.367 -3.161 393 HA GLU 68 HA GLU 68 9.644 4.804 -2.876 394 HB2 GLU 68 HB2 GLU 68 6.959 5.954 -3.661 395 HB3 GLU 68 HB3 GLU 68 8.538 6.619 -4.051 396 HG2 GLU 68 HG2 GLU 68 8.999 4.576 -5.385 397 HG3 GLU 68 HG3 GLU 68 7.345 4.057 -5.077 398 H LEU 69 H LEU 69 6.497 5.347 -1.374 399 HA LEU 69 HA LEU 69 6.992 7.765 -0.078 400 HB2 LEU 69 HB2 LEU 69 5.182 5.471 0.641 401 HB3 LEU 69 HB3 LEU 69 5.119 7.049 1.404 402 HG LEU 69 HG LEU 69 4.839 6.731 -1.569 403 HD11 LEU 69 HD11 LEU 69 2.658 6.601 0.488 404 HD12 LEU 69 HD12 LEU 69 3.102 5.361 -0.667 405 HD13 LEU 69 HD13 LEU 69 2.395 6.874 -1.224 406 HD21 LEU 69 HD21 LEU 69 3.844 8.898 -1.455 407 HD22 LEU 69 HD22 LEU 69 5.381 8.947 -0.585 408 HD23 LEU 69 HD23 LEU 69 3.858 8.866 0.309 409 H MET 70 H MET 70 7.823 4.498 0.912 410 HA MET 70 HA MET 70 8.458 4.996 3.593 411 HB2 MET 70 HB2 MET 70 9.790 3.092 1.653 412 HB3 MET 70 HB3 MET 70 10.020 3.066 3.393 413 HG2 MET 70 HG2 MET 70 7.680 2.531 3.715 414 HG3 MET 70 HG3 MET 70 7.405 2.621 1.977 415 HE1 MET 70 HE1 MET 70 7.022 -1.156 2.440 416 HE2 MET 70 HE2 MET 70 6.309 0.371 1.913 417 HE3 MET 70 HE3 MET 70 6.526 0.043 3.634 418 H GLN 71 H GLN 71 10.481 5.221 0.680 419 HA GLN 71 HA GLN 71 12.676 6.285 2.250 420 HB2 GLN 71 HB2 GLN 71 13.808 6.344 -0.047 421 HB3 GLN 71 HB3 GLN 71 13.431 4.770 0.640 422 HG2 GLN 71 HG2 GLN 71 11.481 4.581 -0.767 423 HG3 GLN 71 HG3 GLN 71 11.752 6.200 -1.404 424 HE21 GLN 71 HE22 GLN 71 14.650 5.841 -1.506 425 HE22 GLN 71 HE21 GLN 71 14.964 4.793 -2.845 426 H GLU 72 H GLU 72 9.994 7.494 0.573 427 HA GLU 72 HA GLU 72 11.070 10.059 -0.074 428 HB2 GLU 72 HB2 GLU 72 8.219 9.209 0.464 429 HB3 GLU 72 HB3 GLU 72 8.684 10.792 -0.140 430 HG2 GLU 72 HG2 GLU 72 9.690 9.662 -2.118 431 HG3 GLU 72 HG3 GLU 72 9.026 8.148 -1.517 432 H GLY 73 H GLY 73 9.822 8.528 2.780 433 HA2 GLY 73 HA2 GLY 73 10.611 9.246 4.917 434 HA3 GLY 73 HA3 GLY 73 10.685 10.892 4.304 435 H LYS 74 H LYS 74 7.977 8.822 3.663 436 HA LYS 74 HA LYS 74 6.205 10.725 4.911 437 HB2 LYS 74 HB2 LYS 74 5.447 8.071 3.712 438 HB3 LYS 74 HB3 LYS 74 4.446 9.501 3.888 439 HG2 LYS 74 HG2 LYS 74 6.863 9.351 2.097 440 HG3 LYS 74 HG3 LYS 74 5.201 9.071 1.570 441 HD2 LYS 74 HD2 LYS 74 4.580 11.262 1.932 442 HD3 LYS 74 HD3 LYS 74 5.950 11.601 2.992 443 HE2 LYS 74 HE2 LYS 74 7.403 11.217 0.956 444 HE3 LYS 74 HE3 LYS 74 5.918 11.259 0.006 445 HZ1 LYS 74 HZ1 LYS 74 6.995 13.437 1.710 446 HZ2 LYS 74 HZ2 LYS 74 5.491 13.488 0.926 447 HZ3 LYS 74 HZ3 LYS 74 6.924 13.417 0.019 448 H SER 75 H SER 75 4.582 10.080 6.437 449 HA SER 75 HA SER 75 5.532 8.133 8.398 450 HB2 SER 75 HB2 SER 75 3.277 10.154 8.556 451 HB3 SER 75 HB3 SER 75 3.842 9.137 9.881 452 HG SER 75 HG SER 75 5.652 10.823 8.524 453 H LYS 76 H LYS 76 3.717 6.762 9.414 454 HA LYS 76 HA LYS 76 2.893 4.947 7.504 455 HB2 LYS 76 HB2 LYS 76 2.215 5.429 10.333 456 HB3 LYS 76 HB3 LYS 76 1.111 4.407 9.430 457 HG2 LYS 76 HG2 LYS 76 2.776 3.086 10.583 458 HG3 LYS 76 HG3 LYS 76 2.945 2.918 8.845 459 HD2 LYS 76 HD2 LYS 76 4.582 4.987 10.206 460 HD3 LYS 76 HD3 LYS 76 5.033 3.300 10.440 461 HE2 LYS 76 HE2 LYS 76 5.059 3.039 7.964 462 HE3 LYS 76 HE3 LYS 76 4.774 4.771 7.825 463 HZ1 LYS 76 HZ1 LYS 76 7.142 4.054 7.644 464 HZ2 LYS 76 HZ2 LYS 76 7.093 3.635 9.287 465 HZ3 LYS 76 HZ3 LYS 76 6.846 5.248 8.808 466 H LYS 77 H LYS 77 0.726 7.212 9.192 467 HA LYS 77 HA LYS 77 -1.473 6.622 7.466 468 HB2 LYS 77 HB2 LYS 77 -1.202 9.117 9.135 469 HB3 LYS 77 HB3 LYS 77 -2.675 8.277 8.660 470 HG2 LYS 77 HG2 LYS 77 -0.601 7.343 10.625 471 HG3 LYS 77 HG3 LYS 77 -2.257 7.850 10.980 472 HD2 LYS 77 HD2 LYS 77 -3.141 5.945 9.789 473 HD3 LYS 77 HD3 LYS 77 -1.525 5.485 9.252 474 HE2 LYS 77 HE2 LYS 77 -2.079 4.054 11.058 475 HE3 LYS 77 HE3 LYS 77 -0.907 5.219 11.668 476 HZ1 LYS 77 HZ1 LYS 77 -3.841 5.227 12.110 477 HZ2 LYS 77 HZ2 LYS 77 -2.819 6.507 12.561 478 HZ3 LYS 77 HZ3 LYS 77 -2.625 4.977 13.267 479 H GLU 78 H GLU 78 1.090 8.974 7.501 480 HA GLU 78 HA GLU 78 0.149 10.706 5.510 481 HB2 GLU 78 HB2 GLU 78 2.079 11.262 6.864 482 HB3 GLU 78 HB3 GLU 78 2.984 9.908 6.204 483 HG2 GLU 78 HG2 GLU 78 3.733 11.967 5.219 484 HG3 GLU 78 HG3 GLU 78 2.944 10.964 4.001 485 H ILE 79 H ILE 79 1.855 7.608 5.239 486 HA ILE 79 HA ILE 79 2.306 7.677 2.467 487 HB ILE 79 HB ILE 79 2.171 5.499 4.494 488 HG12 ILE 79 HG12 ILE 79 4.258 5.031 2.734 489 HG13 ILE 79 HG13 ILE 79 4.138 6.785 2.768 490 HG21 ILE 79 HG21 ILE 79 1.420 5.136 1.683 491 HG22 ILE 79 HG22 ILE 79 1.078 4.125 3.092 492 HG23 ILE 79 HG23 ILE 79 2.643 4.010 2.282 493 HD11 ILE 79 HD11 ILE 79 4.331 5.098 5.247 494 HD12 ILE 79 HD12 ILE 79 4.534 6.844 5.102 495 HD13 ILE 79 HD13 ILE 79 5.734 5.757 4.404 496 H VAL 80 H VAL 80 -0.400 6.223 4.292 497 HA VAL 80 HA VAL 80 -1.805 5.461 1.952 498 HB VAL 80 HB VAL 80 -2.381 4.221 3.855 499 HG11 VAL 80 HG11 VAL 80 -2.934 6.810 5.280 500 HG12 VAL 80 HG12 VAL 80 -1.592 5.708 5.584 501 HG13 VAL 80 HG13 VAL 80 -3.246 5.206 5.939 502 HG21 VAL 80 HG21 VAL 80 -4.314 4.741 2.480 503 HG22 VAL 80 HG22 VAL 80 -4.598 6.192 3.441 504 HG23 VAL 80 HG23 VAL 80 -4.773 4.600 4.180 505 H ASP 81 H ASP 81 -1.800 8.330 3.937 506 HA ASP 81 HA ASP 81 -4.093 9.541 2.760 507 HB2 ASP 81 HB2 ASP 81 -3.281 10.264 4.936 508 HB3 ASP 81 HB3 ASP 81 -1.751 10.764 4.231 509 H TYR 82 H TYR 82 -0.658 9.582 2.079 510 HA TYR 82 HA TYR 82 -0.650 11.454 -0.029 511 HB2 TYR 82 HB2 TYR 82 1.351 10.380 1.176 512 HB3 TYR 82 HB3 TYR 82 1.095 8.998 0.123 513 HD1 TYR 82 HD2 TYR 82 1.063 9.512 -2.446 514 HD2 TYR 82 HD1 TYR 82 2.745 12.076 0.486 515 HE1 TYR 82 HE2 TYR 82 2.405 10.610 -4.193 516 HE2 TYR 82 HE1 TYR 82 4.088 13.202 -1.249 517 HH TYR 82 HH TYR 82 3.525 12.750 -4.588 518 H MET 83 H MET 83 -1.164 7.983 0.115 519 HA MET 83 HA MET 83 -1.464 7.510 -2.631 520 HB2 MET 83 HB2 MET 83 -2.628 6.049 -0.258 521 HB3 MET 83 HB3 MET 83 -2.725 5.468 -1.914 522 HG2 MET 83 HG2 MET 83 -0.028 6.027 -1.498 523 HG3 MET 83 HG3 MET 83 -0.576 5.245 -0.017 524 HE1 MET 83 HE1 MET 83 -0.319 4.972 -3.911 525 HE2 MET 83 HE2 MET 83 -2.040 4.747 -3.602 526 HE3 MET 83 HE3 MET 83 -1.070 3.403 -4.205 527 H VAL 84 H VAL 84 -3.928 8.181 -0.134 528 HA VAL 84 HA VAL 84 -6.080 8.041 -1.992 529 HB VAL 84 HB VAL 84 -7.478 9.047 -0.215 530 HG11 VAL 84 HG11 VAL 84 -5.688 6.953 0.966 531 HG12 VAL 84 HG12 VAL 84 -6.837 6.603 -0.323 532 HG13 VAL 84 HG13 VAL 84 -7.411 7.193 1.238 533 HG21 VAL 84 HG21 VAL 84 -6.591 9.582 1.951 534 HG22 VAL 84 HG22 VAL 84 -5.734 10.544 0.751 535 HG23 VAL 84 HG23 VAL 84 -4.966 9.122 1.447 536 H ALA 85 H ALA 85 -4.000 10.620 -0.920 537 HA ALA 85 HA ALA 85 -5.521 12.792 -1.885 538 HB1 ALA 85 HB1 ALA 85 -3.206 13.911 -1.952 539 HB2 ALA 85 HB2 ALA 85 -2.613 12.395 -1.268 540 HB3 ALA 85 HB3 ALA 85 -3.818 13.349 -0.395 541 H ARG 86 H ARG 86 -2.875 10.921 -3.369 542 HA ARG 86 HA ARG 86 -3.183 12.387 -5.861 543 HB2 ARG 86 HB2 ARG 86 -1.240 10.347 -4.859 544 HB3 ARG 86 HB3 ARG 86 -1.343 10.677 -6.581 545 HG2 ARG 86 HG2 ARG 86 0.409 12.003 -5.782 546 HG3 ARG 86 HG3 ARG 86 -0.953 13.110 -5.967 547 HD2 ARG 86 HD2 ARG 86 -1.404 13.016 -3.609 548 HD3 ARG 86 HD3 ARG 86 -0.170 11.784 -3.380 549 HE ARG 86 HE ARG 86 1.209 13.850 -4.473 550 HH11 ARG 86 HH11 ARG 86 -0.958 13.641 -1.740 551 HH12 ARG 86 HH12 ARG 86 -0.101 14.824 -0.801 552 HH21 ARG 86 HH22 ARG 86 2.345 15.400 -3.239 553 HH22 ARG 86 HH21 ARG 86 1.787 15.801 -1.644 554 H TYR 87 H TYR 87 -3.405 8.993 -4.813 555 HA TYR 87 HA TYR 87 -4.496 8.232 -7.417 556 HB2 TYR 87 HB2 TYR 87 -3.662 6.531 -5.063 557 HB3 TYR 87 HB3 TYR 87 -4.167 5.923 -6.632 558 HD1 TYR 87 HD2 TYR 87 -2.710 6.313 -8.624 559 HD2 TYR 87 HD1 TYR 87 -1.421 7.257 -4.676 560 HE1 TYR 87 HE2 TYR 87 -0.377 6.349 -9.400 561 HE2 TYR 87 HE1 TYR 87 0.929 7.291 -5.440 562 HH TYR 87 HH TYR 87 1.780 7.327 -8.731 563 H GLY 88 H GLY 88 -6.133 9.804 -5.633 564 HA2 GLY 88 HA2 GLY 88 -7.801 8.061 -4.091 565 HA3 GLY 88 HA3 GLY 88 -8.040 9.782 -4.337 566 H ASN 89 H ASN 89 -7.743 8.037 -7.254 567 HA ASN 89 HA ASN 89 -10.620 8.209 -7.674 568 HB2 ASN 89 HB2 ASN 89 -9.098 9.048 -9.440 569 HB3 ASN 89 HB3 ASN 89 -8.434 7.427 -9.615 570 HD21 ASN 89 HD22 ASN 89 -11.194 9.474 -10.154 571 HD22 ASN 89 HD21 ASN 89 -12.014 8.422 -11.262 572 H PHE 90 H PHE 90 -8.188 5.961 -6.959 573 HA PHE 90 HA PHE 90 -10.077 3.743 -7.371 574 HB2 PHE 90 HB2 PHE 90 -8.174 3.641 -8.951 575 HB3 PHE 90 HB3 PHE 90 -7.058 3.626 -7.590 576 HD1 PHE 90 HD2 PHE 90 -9.540 1.691 -9.467 577 HD2 PHE 90 HD1 PHE 90 -6.749 1.655 -6.257 578 HE1 PHE 90 HE2 PHE 90 -9.681 -0.763 -9.378 579 HE2 PHE 90 HE1 PHE 90 -6.884 -0.803 -6.161 580 HZ PHE 90 HZ PHE 90 -8.356 -2.011 -7.721 581 H VAL 91 H VAL 91 -7.673 5.245 -5.314 582 HA VAL 91 HA VAL 91 -8.017 3.131 -3.313 583 HB VAL 91 HB VAL 91 -5.966 3.626 -2.472 584 HG11 VAL 91 HG11 VAL 91 -5.459 5.185 -4.977 585 HG12 VAL 91 HG12 VAL 91 -5.796 3.445 -5.031 586 HG13 VAL 91 HG13 VAL 91 -4.399 4.045 -4.135 587 HG21 VAL 91 HG21 VAL 91 -6.504 5.764 -1.555 588 HG22 VAL 91 HG22 VAL 91 -6.454 6.514 -3.151 589 HG23 VAL 91 HG23 VAL 91 -4.973 5.899 -2.418 590 H THR 92 H THR 92 -8.471 3.704 -1.088 591 HA THR 92 HA THR 92 -9.407 6.402 -0.551 592 HB THR 92 HB THR 92 -11.265 4.022 -0.218 593 HG1 THR 92 HG1 THR 92 -10.825 5.694 -2.329 594 HG21 THR 92 HG21 THR 92 -11.632 5.687 1.499 595 HG22 THR 92 HG22 THR 92 -12.955 5.747 0.331 596 HG23 THR 92 HG23 THR 92 -11.685 6.970 0.289 597 H TYR 93 H TYR 93 -9.348 6.920 1.657 598 HA TYR 93 HA TYR 93 -8.224 4.839 3.391 599 HB2 TYR 93 HB2 TYR 93 -6.928 6.904 3.322 600 HB3 TYR 93 HB3 TYR 93 -8.355 7.848 3.738 601 HD1 TYR 93 HD1 TYR 93 -6.534 4.875 5.126 602 HD2 TYR 93 HD2 TYR 93 -8.426 8.607 5.901 603 HE1 TYR 93 HE1 TYR 93 -5.994 4.646 7.515 604 HE2 TYR 93 HE2 TYR 93 -7.892 8.388 8.290 605 HH TYR 93 HH TYR 93 -5.716 6.042 9.485 606 H ASP 94 H ASP 94 -9.756 3.703 4.330 607 HA ASP 94 HA ASP 94 -11.729 4.951 6.019 608 HB2 ASP 94 HB2 ASP 94 -12.415 4.116 3.334 609 HB3 ASP 94 HB3 ASP 94 -13.293 3.155 4.515 610 HA PRO 95 HA PRO 95 -11.280 1.111 8.259 611 HB2 PRO 95 HB3 PRO 95 -13.931 0.551 8.834 612 HB3 PRO 95 HB2 PRO 95 -12.897 1.621 9.785 613 HG2 PRO 95 HG2 PRO 95 -14.908 2.307 7.683 614 HG3 PRO 95 HG3 PRO 95 -14.568 3.124 9.221 615 HD2 PRO 95 HD2 PRO 95 -13.667 4.120 6.914 616 HD3 PRO 95 HD3 PRO 95 -12.670 4.175 8.386 617 HA PRO 96 HA PRO 96 -12.160 -1.669 4.904 618 HB2 PRO 96 HB3 PRO 96 -10.499 -3.668 5.966 619 HB3 PRO 96 HB2 PRO 96 -10.028 -2.401 4.837 620 HG2 PRO 96 HG2 PRO 96 -9.189 -2.694 7.517 621 HG3 PRO 96 HG3 PRO 96 -8.862 -1.336 6.433 622 HD2 PRO 96 HD2 PRO 96 -10.854 -1.586 8.597 623 HD3 PRO 96 HD3 PRO 96 -10.090 -0.135 7.917 624 H LEU 97 H LEU 97 -12.235 -4.350 5.034 625 HA LEU 97 HA LEU 97 -14.755 -4.796 6.417 626 HB2 LEU 97 HB2 LEU 97 -13.152 -6.346 4.416 627 HB3 LEU 97 HB3 LEU 97 -14.531 -7.064 5.221 628 HG LEU 97 HG LEU 97 -15.223 -6.292 3.051 629 HD11 LEU 97 HD11 LEU 97 -16.847 -6.075 4.832 630 HD12 LEU 97 HD12 LEU 97 -17.032 -4.763 3.669 631 HD13 LEU 97 HD13 LEU 97 -16.242 -4.463 5.217 632 HD21 LEU 97 HD21 LEU 97 -13.509 -4.614 2.650 633 HD22 LEU 97 HD22 LEU 97 -14.230 -3.568 3.874 634 HD23 LEU 97 HD23 LEU 97 -15.119 -3.939 2.397 635 H THR 98 H THR 98 -11.932 -4.713 7.581 636 HA THR 98 HA THR 98 -11.036 -7.106 8.536 637 HB THR 98 HB THR 98 -9.844 -4.983 8.836 638 HG1 THR 98 HG1 THR 98 -10.199 -6.814 10.867 639 HG21 THR 98 HG21 THR 98 -11.707 -3.534 9.408 640 HG22 THR 98 HG22 THR 98 -10.443 -3.429 10.632 641 HG23 THR 98 HG23 THR 98 -11.904 -4.363 10.952 642 HA PRO 99 HA PRO 99 -14.616 -8.417 10.902 643 HB2 PRO 99 HB3 PRO 99 -13.591 -10.843 11.606 644 HB3 PRO 99 HB2 PRO 99 -14.313 -10.509 10.029 645 HG2 PRO 99 HG2 PRO 99 -11.432 -10.618 10.810 646 HG3 PRO 99 HG3 PRO 99 -12.221 -11.217 9.340 647 HD2 PRO 99 HD2 PRO 99 -10.833 -8.885 9.421 648 HD3 PRO 99 HD3 PRO 99 -12.217 -9.146 8.341 Start of MODEL 20 1 H THR 19 H1 THR 19 12.380 -10.099 -5.421 2 HA THR 19 HA THR 19 11.282 -12.387 -6.935 3 HB THR 19 HB THR 19 12.669 -12.972 -4.930 4 HG1 THR 19 HG1 THR 19 9.887 -13.523 -4.536 5 HG21 THR 19 HG21 THR 19 11.817 -12.483 -2.706 6 HG22 THR 19 HG22 THR 19 10.499 -11.542 -3.401 7 HG23 THR 19 HG23 THR 19 12.164 -10.990 -3.578 8 H ILE 20 H ILE 20 10.560 -9.356 -6.556 9 HA ILE 20 HA ILE 20 7.738 -9.831 -6.262 10 HB ILE 20 HB ILE 20 8.361 -9.577 -3.926 11 HG12 ILE 20 HG12 ILE 20 6.221 -8.540 -4.896 12 HG13 ILE 20 HG13 ILE 20 6.708 -8.057 -3.278 13 HG21 ILE 20 HG21 ILE 20 9.437 -6.862 -4.636 14 HG22 ILE 20 HG22 ILE 20 10.405 -8.278 -4.223 15 HG23 ILE 20 HG23 ILE 20 9.332 -7.560 -3.021 16 HD11 ILE 20 HD11 ILE 20 5.877 -6.212 -4.719 17 HD12 ILE 20 HD12 ILE 20 7.279 -6.460 -5.766 18 HD13 ILE 20 HD13 ILE 20 7.504 -5.952 -4.085 19 H ASP 21 H ASP 21 10.185 -7.233 -6.361 20 HA ASP 21 HA ASP 21 9.543 -6.297 -8.887 21 HB2 ASP 21 HB2 ASP 21 7.400 -5.643 -7.514 22 HB3 ASP 21 HB3 ASP 21 8.428 -4.367 -6.870 23 H VAL 22 H VAL 22 10.058 -3.505 -8.485 24 HA VAL 22 HA VAL 22 12.850 -3.511 -7.903 25 HB VAL 22 HB VAL 22 11.708 -1.882 -9.444 26 HG11 VAL 22 HG11 VAL 22 9.777 -1.400 -7.973 27 HG12 VAL 22 HG12 VAL 22 10.591 0.058 -8.548 28 HG13 VAL 22 HG13 VAL 22 10.859 -0.512 -6.900 29 HG21 VAL 22 HG21 VAL 22 13.979 -1.476 -8.657 30 HG22 VAL 22 HG22 VAL 22 13.346 -0.661 -7.227 31 HG23 VAL 22 HG23 VAL 22 13.090 0.039 -8.826 32 H LEU 23 H LEU 23 10.124 -3.510 -5.995 33 HA LEU 23 HA LEU 23 10.960 -1.904 -3.799 34 HB2 LEU 23 HB2 LEU 23 9.032 -4.164 -3.490 35 HB3 LEU 23 HB3 LEU 23 8.985 -2.560 -2.787 36 HG LEU 23 HG LEU 23 8.301 -3.292 -5.635 37 HD11 LEU 23 HD11 LEU 23 6.602 -2.298 -3.356 38 HD12 LEU 23 HD12 LEU 23 6.585 -3.919 -4.051 39 HD13 LEU 23 HD13 LEU 23 6.054 -2.540 -5.015 40 HD21 LEU 23 HD21 LEU 23 9.330 -1.147 -5.717 41 HD22 LEU 23 HD22 LEU 23 8.446 -0.601 -4.293 42 HD23 LEU 23 HD23 LEU 23 7.586 -0.898 -5.801 43 H GLN 24 H GLN 24 12.956 -2.526 -3.017 44 HA GLN 24 HA GLN 24 13.377 -5.365 -2.442 45 HB2 GLN 24 HB2 GLN 24 15.301 -3.058 -2.623 46 HB3 GLN 24 HB3 GLN 24 15.765 -4.681 -2.134 47 HG2 GLN 24 HG2 GLN 24 14.597 -3.889 -4.789 48 HG3 GLN 24 HG3 GLN 24 16.281 -4.302 -4.466 49 HE21 GLN 24 HE22 GLN 24 13.058 -5.504 -4.872 50 HE22 GLN 24 HE21 GLN 24 13.477 -7.178 -4.982 51 H PHE 25 H PHE 25 12.449 -5.780 -0.529 52 HA PHE 25 HA PHE 25 12.669 -4.033 1.730 53 HB2 PHE 25 HB2 PHE 25 11.887 -6.955 1.756 54 HB3 PHE 25 HB3 PHE 25 11.470 -5.728 2.957 55 HD1 PHE 25 HD1 PHE 25 10.093 -3.704 2.058 56 HD2 PHE 25 HD2 PHE 25 10.362 -7.477 0.104 57 HE1 PHE 25 HE1 PHE 25 7.988 -3.237 0.874 58 HE2 PHE 25 HE2 PHE 25 8.261 -7.012 -1.088 59 HZ PHE 25 HZ PHE 25 7.117 -4.861 -0.768 60 H LYS 26 H LYS 26 14.238 -3.861 3.067 61 HA LYS 26 HA LYS 26 16.697 -5.066 2.888 62 HB2 LYS 26 HB2 LYS 26 16.919 -3.229 4.170 63 HB3 LYS 26 HB3 LYS 26 15.268 -3.327 4.745 64 HG2 LYS 26 HG2 LYS 26 16.740 -5.408 5.985 65 HG3 LYS 26 HG3 LYS 26 17.662 -3.909 6.129 66 HD2 LYS 26 HD2 LYS 26 14.726 -4.084 6.775 67 HD3 LYS 26 HD3 LYS 26 15.986 -4.376 7.982 68 HE2 LYS 26 HE2 LYS 26 15.618 -1.849 6.374 69 HE3 LYS 26 HE3 LYS 26 15.143 -2.072 8.058 70 HZ1 LYS 26 HZ1 LYS 26 17.920 -2.249 7.019 71 HZ2 LYS 26 HZ2 LYS 26 17.453 -2.401 8.642 72 HZ3 LYS 26 HZ3 LYS 26 17.265 -0.918 7.839 73 H ASP 27 H ASP 27 13.948 -5.931 4.898 74 HA ASP 27 HA ASP 27 14.581 -8.678 4.924 75 HB2 ASP 27 HB2 ASP 27 16.163 -7.526 6.717 76 HB3 ASP 27 HB3 ASP 27 14.701 -7.551 7.697 77 H GLU 28 H GLU 28 13.127 -9.402 7.232 78 HA GLU 28 HA GLU 28 10.515 -9.112 6.264 79 HB2 GLU 28 HB2 GLU 28 9.778 -10.341 8.126 80 HB3 GLU 28 HB3 GLU 28 11.408 -10.920 7.841 81 HG2 GLU 28 HG2 GLU 28 10.697 -8.854 9.912 82 HG3 GLU 28 HG3 GLU 28 10.806 -10.582 10.233 83 H ALA 29 H ALA 29 12.344 -7.238 8.585 84 HA ALA 29 HA ALA 29 10.288 -5.784 9.802 85 HB1 ALA 29 HB1 ALA 29 11.931 -4.301 10.532 86 HB2 ALA 29 HB2 ALA 29 12.898 -4.522 9.071 87 HB3 ALA 29 HB3 ALA 29 12.823 -5.806 10.288 88 H GLN 30 H GLN 30 12.163 -5.041 6.895 89 HA GLN 30 HA GLN 30 10.895 -2.600 6.309 90 HB2 GLN 30 HB2 GLN 30 13.031 -3.882 5.266 91 HB3 GLN 30 HB3 GLN 30 11.824 -4.247 4.038 92 HG2 GLN 30 HG2 GLN 30 12.629 -2.289 3.229 93 HG3 GLN 30 HG3 GLN 30 11.310 -1.712 4.237 94 HE21 GLN 30 HE22 GLN 30 11.752 -0.664 6.172 95 HE22 GLN 30 HE21 GLN 30 13.326 -0.034 6.540 96 H GLU 31 H GLU 31 10.158 -5.917 5.633 97 HA GLU 31 HA GLU 31 8.036 -5.392 3.797 98 HB2 GLU 31 HB2 GLU 31 9.247 -7.460 3.647 99 HB3 GLU 31 HB3 GLU 31 8.897 -7.847 5.315 100 HG2 GLU 31 HG2 GLU 31 6.543 -8.124 4.782 101 HG3 GLU 31 HG3 GLU 31 6.858 -7.670 3.108 102 H GLN 32 H GLN 32 8.314 -5.692 7.273 103 HA GLN 32 HA GLN 32 5.602 -6.110 7.944 104 HB2 GLN 32 HB2 GLN 32 7.721 -4.527 9.426 105 HB3 GLN 32 HB3 GLN 32 6.203 -5.074 10.117 106 HG2 GLN 32 HG2 GLN 32 6.899 -7.381 9.874 107 HG3 GLN 32 HG3 GLN 32 8.389 -6.864 9.083 108 HE21 GLN 32 HE22 GLN 32 8.001 -8.410 11.542 109 HE22 GLN 32 HE21 GLN 32 8.835 -7.524 12.776 110 H GLN 33 H GLN 33 7.455 -3.137 7.312 111 HA GLN 33 HA GLN 33 5.341 -1.352 7.902 112 HB2 GLN 33 HB2 GLN 33 7.720 -0.647 7.679 113 HB3 GLN 33 HB3 GLN 33 7.607 -0.921 5.945 114 HG2 GLN 33 HG2 GLN 33 5.856 0.772 5.787 115 HG3 GLN 33 HG3 GLN 33 5.970 1.047 7.526 116 HE21 GLN 33 HE22 GLN 33 8.902 0.726 7.487 117 HE22 GLN 33 HE21 GLN 33 9.523 2.197 6.816 118 H PHE 34 H PHE 34 6.483 -2.801 4.890 119 HA PHE 34 HA PHE 34 4.565 -1.750 3.151 120 HB2 PHE 34 HB2 PHE 34 6.570 -2.942 2.399 121 HB3 PHE 34 HB3 PHE 34 5.971 -4.435 3.109 122 HD1 PHE 34 HD1 PHE 34 5.398 -1.956 0.439 123 HD2 PHE 34 HD2 PHE 34 4.486 -5.832 1.938 124 HE1 PHE 34 HE1 PHE 34 4.284 -2.507 -1.681 125 HE2 PHE 34 HE2 PHE 34 3.374 -6.392 -0.184 126 HZ PHE 34 HZ PHE 34 3.336 -4.756 -2.022 127 H ARG 35 H ARG 35 4.561 -4.614 5.181 128 HA ARG 35 HA ARG 35 2.189 -5.860 4.593 129 HB2 ARG 35 HB2 ARG 35 4.133 -6.054 6.493 130 HB3 ARG 35 HB3 ARG 35 2.795 -5.476 7.459 131 HG2 ARG 35 HG2 ARG 35 2.839 -7.800 7.648 132 HG3 ARG 35 HG3 ARG 35 1.470 -7.421 6.597 133 HD2 ARG 35 HD2 ARG 35 4.167 -8.070 5.494 134 HD3 ARG 35 HD3 ARG 35 3.045 -9.353 5.941 135 HE ARG 35 HE ARG 35 1.612 -7.670 4.299 136 HH11 ARG 35 HH11 ARG 35 4.525 -9.599 4.043 137 HH12 ARG 35 HH12 ARG 35 4.390 -9.818 2.323 138 HH21 ARG 35 HH22 ARG 35 1.402 -7.986 2.057 139 HH22 ARG 35 HH21 ARG 35 2.594 -8.911 1.188 140 H GLN 36 H GLN 36 2.708 -3.223 6.924 141 HA GLN 36 HA GLN 36 -0.063 -2.985 7.569 142 HB2 GLN 36 HB2 GLN 36 2.162 -1.001 8.094 143 HB3 GLN 36 HB3 GLN 36 0.600 -1.065 8.901 144 HG2 GLN 36 HG2 GLN 36 2.628 -3.274 9.014 145 HG3 GLN 36 HG3 GLN 36 2.504 -1.989 10.215 146 HE21 GLN 36 HE22 GLN 36 2.189 -4.869 10.508 147 HE22 GLN 36 HE21 GLN 36 0.602 -5.106 11.174 148 H LEU 37 H LEU 37 2.177 -1.103 5.591 149 HA LEU 37 HA LEU 37 0.441 1.058 5.164 150 HB2 LEU 37 HB2 LEU 37 2.773 0.071 3.533 151 HB3 LEU 37 HB3 LEU 37 1.962 1.603 3.267 152 HG LEU 37 HG LEU 37 3.511 0.781 5.719 153 HD11 LEU 37 HD11 LEU 37 4.977 1.362 3.941 154 HD12 LEU 37 HD12 LEU 37 4.925 2.726 5.058 155 HD13 LEU 37 HD13 LEU 37 4.024 2.794 3.544 156 HD21 LEU 37 HD21 LEU 37 3.088 3.107 6.483 157 HD22 LEU 37 HD22 LEU 37 1.648 2.087 6.451 158 HD23 LEU 37 HD23 LEU 37 1.917 3.277 5.176 159 H THR 38 H THR 38 0.581 -2.057 3.675 160 HA THR 38 HA THR 38 -1.026 -1.235 1.423 161 HB THR 38 HB THR 38 -1.195 -3.774 1.064 162 HG1 THR 38 HG1 THR 38 1.058 -3.808 2.795 163 HG21 THR 38 HG21 THR 38 1.310 -2.145 0.846 164 HG22 THR 38 HG22 THR 38 0.175 -2.622 -0.412 165 HG23 THR 38 HG23 THR 38 1.264 -3.815 0.293 166 H GLU 39 H GLU 39 -1.539 -2.772 4.589 167 HA GLU 39 HA GLU 39 -4.309 -3.339 3.792 168 HB2 GLU 39 HB2 GLU 39 -2.710 -4.350 6.141 169 HB3 GLU 39 HB3 GLU 39 -4.398 -4.750 5.834 170 HG2 GLU 39 HG2 GLU 39 -3.708 -5.687 3.633 171 HG3 GLU 39 HG3 GLU 39 -2.033 -5.404 4.096 172 H GLU 40 H GLU 40 -2.550 -1.061 5.571 173 HA GLU 40 HA GLU 40 -4.802 -0.258 7.225 174 HB2 GLU 40 HB2 GLU 40 -2.365 0.028 7.899 175 HB3 GLU 40 HB3 GLU 40 -2.260 1.294 6.686 176 HG2 GLU 40 HG2 GLU 40 -3.809 2.660 7.850 177 HG3 GLU 40 HG3 GLU 40 -4.235 1.350 8.949 178 H LEU 41 H LEU 41 -3.905 -0.032 4.070 179 HA LEU 41 HA LEU 41 -5.259 2.487 3.521 180 HB2 LEU 41 HB2 LEU 41 -3.292 2.175 2.235 181 HB3 LEU 41 HB3 LEU 41 -3.719 0.525 1.834 182 HG LEU 41 HG LEU 41 -5.502 1.313 0.368 183 HD11 LEU 41 HD11 LEU 41 -6.204 3.307 1.454 184 HD12 LEU 41 HD12 LEU 41 -5.627 3.745 -0.161 185 HD13 LEU 41 HD13 LEU 41 -4.611 4.049 1.249 186 HD21 LEU 41 HD21 LEU 41 -3.371 0.973 -0.639 187 HD22 LEU 41 HD22 LEU 41 -2.800 2.547 -0.086 188 HD23 LEU 41 HD23 LEU 41 -4.060 2.449 -1.316 189 H ARG 42 H ARG 42 -7.241 2.635 2.557 190 HA ARG 42 HA ARG 42 -8.824 0.204 2.516 191 HB2 ARG 42 HB2 ARG 42 -9.369 2.976 3.022 192 HB3 ARG 42 HB3 ARG 42 -10.396 2.405 1.716 193 HG2 ARG 42 HG2 ARG 42 -10.578 0.397 3.592 194 HG3 ARG 42 HG3 ARG 42 -10.538 1.879 4.555 195 HD2 ARG 42 HD2 ARG 42 -12.813 1.471 4.041 196 HD3 ARG 42 HD3 ARG 42 -12.294 2.799 3.016 197 HE ARG 42 HE ARG 42 -11.916 0.496 1.542 198 HH11 ARG 42 HH11 ARG 42 -14.619 2.106 3.068 199 HH12 ARG 42 HH12 ARG 42 -15.767 1.584 1.868 200 HH21 ARG 42 HH22 ARG 42 -13.419 -0.237 -0.006 201 HH22 ARG 42 HH21 ARG 42 -15.095 0.225 0.134 202 H CYS 43 H CYS 43 -9.575 -0.752 0.733 203 HA CYS 43 HA CYS 43 -9.242 0.639 -1.839 204 HB2 CYS 43 HB2 CYS 43 -9.287 -1.652 -2.837 205 HB3 CYS 43 HB3 CYS 43 -7.927 -1.399 -1.749 206 HG CYS 43 HG CYS 43 -10.795 -2.964 -0.736 207 HA PRO 44 HA PRO 44 -13.709 0.721 -2.190 208 HB2 PRO 44 HB3 PRO 44 -13.153 0.348 -5.087 209 HB3 PRO 44 HB2 PRO 44 -14.093 1.608 -4.277 210 HG2 PRO 44 HG2 PRO 44 -11.688 2.155 -5.259 211 HG3 PRO 44 HG3 PRO 44 -12.195 2.828 -3.695 212 HD2 PRO 44 HD2 PRO 44 -10.391 0.500 -4.264 213 HD3 PRO 44 HD3 PRO 44 -10.214 1.794 -3.059 214 H LYS 45 H LYS 45 -15.438 -0.681 -2.869 215 HA LYS 45 HA LYS 45 -16.456 -2.697 -3.114 216 HB2 LYS 45 HB2 LYS 45 -15.203 -3.128 -5.131 217 HB3 LYS 45 HB3 LYS 45 -13.777 -3.570 -4.208 218 HG2 LYS 45 HG2 LYS 45 -14.945 -5.540 -3.358 219 HG3 LYS 45 HG3 LYS 45 -16.372 -5.092 -4.296 220 HD2 LYS 45 HD2 LYS 45 -15.114 -5.302 -6.361 221 HD3 LYS 45 HD3 LYS 45 -13.644 -5.661 -5.454 222 HE2 LYS 45 HE2 LYS 45 -14.634 -7.717 -4.622 223 HE3 LYS 45 HE3 LYS 45 -16.150 -7.339 -5.443 224 HZ1 LYS 45 HZ1 LYS 45 -13.540 -7.781 -6.795 225 HZ2 LYS 45 HZ2 LYS 45 -15.026 -7.473 -7.556 226 HZ3 LYS 45 HZ3 LYS 45 -14.795 -8.918 -6.700 227 H CYS 46 H CYS 46 -17.003 -3.382 -1.195 228 HA CYS 46 HA CYS 46 -15.255 -3.591 0.989 229 HB2 CYS 46 HB2 CYS 46 -18.018 -4.774 0.709 230 HB3 CYS 46 HB3 CYS 46 -17.178 -4.415 2.216 231 HG CYS 46 HG CYS 46 -18.796 -2.351 2.289 232 H GLN 47 H GLN 47 -16.617 -6.026 -1.160 233 HA GLN 47 HA GLN 47 -15.467 -8.185 0.397 234 HB2 GLN 47 HB2 GLN 47 -16.929 -8.269 -2.248 235 HB3 GLN 47 HB3 GLN 47 -16.550 -9.653 -1.225 236 HG2 GLN 47 HG2 GLN 47 -18.321 -7.347 -0.454 237 HG3 GLN 47 HG3 GLN 47 -18.885 -8.925 -1.011 238 HE21 GLN 47 HE22 GLN 47 -18.699 -10.697 0.357 239 HE22 GLN 47 HE21 GLN 47 -18.401 -10.527 2.051 240 H ASN 48 H ASN 48 -13.485 -6.604 -0.286 241 HA ASN 48 HA ASN 48 -11.828 -8.267 -1.980 242 HB2 ASN 48 HB2 ASN 48 -12.762 -6.654 -3.595 243 HB3 ASN 48 HB3 ASN 48 -12.254 -5.320 -2.567 244 HD21 ASN 48 HD22 ASN 48 -10.086 -4.758 -2.478 245 HD22 ASN 48 HD21 ASN 48 -8.933 -5.338 -3.627 246 H ASN 49 H ASN 49 -10.021 -8.550 -0.822 247 HA ASN 49 HA ASN 49 -9.490 -7.066 1.528 248 HB2 ASN 49 HB2 ASN 49 -7.721 -8.990 0.006 249 HB3 ASN 49 HB3 ASN 49 -7.347 -8.338 1.598 250 HD21 ASN 49 HD22 ASN 49 -8.560 -9.002 3.376 251 HD22 ASN 49 HD21 ASN 49 -9.543 -10.429 3.335 252 H SER 50 H SER 50 -7.521 -5.868 2.002 253 HA SER 50 HA SER 50 -7.180 -3.673 0.352 254 HB2 SER 50 HB2 SER 50 -5.285 -4.783 2.432 255 HB3 SER 50 HB3 SER 50 -5.213 -3.154 1.759 256 HG SER 50 HG SER 50 -6.770 -2.578 3.039 257 H ILE 51 H ILE 51 -4.963 -2.936 -0.464 258 HA ILE 51 HA ILE 51 -4.697 -4.216 -2.893 259 HB ILE 51 HB ILE 51 -2.739 -2.761 -3.290 260 HG12 ILE 51 HG12 ILE 51 -3.182 -1.862 -0.434 261 HG13 ILE 51 HG13 ILE 51 -1.840 -2.867 -0.965 262 HG21 ILE 51 HG21 ILE 51 -4.987 -1.932 -3.678 263 HG22 ILE 51 HG22 ILE 51 -3.961 -0.640 -3.054 264 HG23 ILE 51 HG23 ILE 51 -5.118 -1.438 -1.990 265 HD11 ILE 51 HD11 ILE 51 -2.393 -0.074 -1.933 266 HD12 ILE 51 HD12 ILE 51 -1.005 -1.078 -2.349 267 HD13 ILE 51 HD13 ILE 51 -1.220 -0.514 -0.692 268 H ALA 52 H ALA 52 -3.184 -5.104 0.019 269 HA ALA 52 HA ALA 52 -0.790 -6.232 -0.989 270 HB1 ALA 52 HB1 ALA 52 -2.308 -7.110 1.462 271 HB2 ALA 52 HB2 ALA 52 -1.247 -5.702 1.410 272 HB3 ALA 52 HB3 ALA 52 -0.588 -7.313 1.131 273 H ASP 53 H ASP 53 -4.079 -7.431 -0.650 274 HA ASP 53 HA ASP 53 -3.195 -10.046 -1.685 275 HB2 ASP 53 HB2 ASP 53 -5.513 -9.323 0.106 276 HB3 ASP 53 HB3 ASP 53 -5.390 -10.880 -0.705 277 H SER 54 H SER 54 -4.417 -7.325 -2.851 278 HA SER 54 HA SER 54 -6.734 -8.257 -4.235 279 HB2 SER 54 HB2 SER 54 -4.987 -5.882 -4.909 280 HB3 SER 54 HB3 SER 54 -6.646 -6.158 -5.441 281 HG SER 54 HG SER 54 -6.741 -6.327 -2.843 282 H ASN 55 H ASN 55 -3.321 -8.229 -4.872 283 HA ASN 55 HA ASN 55 -2.006 -9.150 -6.466 284 HB2 ASN 55 HB2 ASN 55 -4.522 -10.721 -6.962 285 HB3 ASN 55 HB3 ASN 55 -3.070 -10.977 -7.923 286 HD21 ASN 55 HD22 ASN 55 -2.677 -13.020 -7.238 287 HD22 ASN 55 HD21 ASN 55 -2.204 -13.412 -5.616 288 H SER 56 H SER 56 -4.365 -7.068 -7.190 289 HA SER 56 HA SER 56 -4.492 -7.158 -10.012 290 HB2 SER 56 HB2 SER 56 -6.214 -5.998 -8.806 291 HB3 SER 56 HB3 SER 56 -5.034 -4.927 -8.043 292 HG SER 56 HG SER 56 -6.355 -4.447 -10.217 293 H MET 57 H MET 57 -3.403 -5.982 -11.548 294 HA MET 57 HA MET 57 -0.707 -5.366 -11.225 295 HB2 MET 57 HB2 MET 57 -2.370 -3.884 -13.224 296 HB3 MET 57 HB3 MET 57 -0.763 -4.561 -13.411 297 HG2 MET 57 HG2 MET 57 -1.589 -6.403 -14.283 298 HG3 MET 57 HG3 MET 57 -2.647 -6.641 -12.892 299 HE1 MET 57 HE1 MET 57 -5.713 -4.420 -13.858 300 HE2 MET 57 HE2 MET 57 -4.385 -4.346 -12.696 301 HE3 MET 57 HE3 MET 57 -5.316 -5.836 -12.881 302 H ILE 58 H ILE 58 -3.571 -3.343 -11.134 303 HA ILE 58 HA ILE 58 -2.150 -0.897 -10.744 304 HB ILE 58 HB ILE 58 -4.139 0.143 -11.023 305 HG12 ILE 58 HG12 ILE 58 -6.360 -1.026 -10.203 306 HG13 ILE 58 HG13 ILE 58 -5.255 -1.915 -9.159 307 HG21 ILE 58 HG21 ILE 58 -4.749 -2.663 -11.929 308 HG22 ILE 58 HG22 ILE 58 -4.106 -1.319 -12.882 309 HG23 ILE 58 HG23 ILE 58 -5.772 -1.270 -12.304 310 HD11 ILE 58 HD11 ILE 58 -5.805 1.028 -9.232 311 HD12 ILE 58 HD12 ILE 58 -4.361 0.355 -8.473 312 HD13 ILE 58 HD13 ILE 58 -5.964 -0.099 -7.882 313 H ALA 59 H ALA 59 -3.587 -3.323 -8.687 314 HA ALA 59 HA ALA 59 -3.444 -1.892 -6.249 315 HB1 ALA 59 HB1 ALA 59 -4.753 -3.958 -6.512 316 HB2 ALA 59 HB2 ALA 59 -3.625 -4.061 -5.164 317 HB3 ALA 59 HB3 ALA 59 -3.254 -4.873 -6.681 318 H THR 60 H THR 60 -1.192 -3.948 -7.999 319 HA THR 60 HA THR 60 0.947 -3.804 -6.162 320 HB THR 60 HB THR 60 0.970 -4.213 -9.157 321 HG1 THR 60 HG1 THR 60 0.414 -6.200 -8.667 322 HG21 THR 60 HG21 THR 60 3.140 -3.470 -8.248 323 HG22 THR 60 HG22 THR 60 3.190 -5.121 -8.873 324 HG23 THR 60 HG23 THR 60 3.119 -4.835 -7.132 325 H ASP 61 H ASP 61 -0.001 -1.782 -8.896 326 HA ASP 61 HA ASP 61 2.073 0.038 -9.029 327 HB2 ASP 61 HB2 ASP 61 -0.409 -0.094 -10.163 328 HB3 ASP 61 HB3 ASP 61 -0.631 1.241 -9.049 329 H LEU 62 H LEU 62 -0.767 0.113 -6.926 330 HA LEU 62 HA LEU 62 -0.101 2.487 -5.557 331 HB2 LEU 62 HB2 LEU 62 -1.738 0.237 -4.415 332 HB3 LEU 62 HB3 LEU 62 -1.885 1.950 -4.088 333 HG LEU 62 HG LEU 62 -2.688 0.497 -6.603 334 HD11 LEU 62 HD11 LEU 62 -4.210 0.350 -4.671 335 HD12 LEU 62 HD12 LEU 62 -4.913 1.209 -6.040 336 HD13 LEU 62 HD13 LEU 62 -4.315 2.110 -4.647 337 HD21 LEU 62 HD21 LEU 62 -1.796 2.529 -7.394 338 HD22 LEU 62 HD22 LEU 62 -2.483 3.441 -6.056 339 HD23 LEU 62 HD23 LEU 62 -3.538 2.783 -7.301 340 H ARG 63 H ARG 63 0.603 -0.904 -4.972 341 HA ARG 63 HA ARG 63 1.718 -0.604 -2.396 342 HB2 ARG 63 HB2 ARG 63 2.137 -2.708 -4.519 343 HB3 ARG 63 HB3 ARG 63 2.855 -2.798 -2.916 344 HG2 ARG 63 HG2 ARG 63 0.515 -2.617 -1.990 345 HG3 ARG 63 HG3 ARG 63 -0.056 -2.861 -3.641 346 HD2 ARG 63 HD2 ARG 63 1.839 -4.740 -2.272 347 HD3 ARG 63 HD3 ARG 63 0.091 -4.914 -2.173 348 HE ARG 63 HE ARG 63 0.413 -4.860 -4.801 349 HH11 ARG 63 HH11 ARG 63 2.272 -6.580 -2.383 350 HH12 ARG 63 HH12 ARG 63 2.748 -7.855 -3.468 351 HH21 ARG 63 HH22 ARG 63 1.042 -6.561 -6.235 352 HH22 ARG 63 HH21 ARG 63 2.048 -7.843 -5.625 353 H GLN 64 H GLN 64 3.006 -0.156 -5.612 354 HA GLN 64 HA GLN 64 5.732 0.024 -4.867 355 HB2 GLN 64 HB2 GLN 64 4.295 1.316 -7.184 356 HB3 GLN 64 HB3 GLN 64 6.039 1.204 -7.010 357 HG2 GLN 64 HG2 GLN 64 5.824 -1.267 -7.024 358 HG3 GLN 64 HG3 GLN 64 4.102 -1.070 -7.353 359 HE21 GLN 64 HE22 GLN 64 4.215 -2.088 -9.334 360 HE22 GLN 64 HE21 GLN 64 4.976 -1.375 -10.711 361 H LYS 65 H LYS 65 3.119 2.400 -5.146 362 HA LYS 65 HA LYS 65 4.595 4.689 -4.503 363 HB2 LYS 65 HB2 LYS 65 2.331 4.840 -5.324 364 HB3 LYS 65 HB3 LYS 65 1.712 4.051 -3.880 365 HG2 LYS 65 HG2 LYS 65 1.275 6.309 -3.502 366 HG3 LYS 65 HG3 LYS 65 2.770 6.014 -2.622 367 HD2 LYS 65 HD2 LYS 65 3.008 6.918 -5.440 368 HD3 LYS 65 HD3 LYS 65 2.497 8.104 -4.233 369 HE2 LYS 65 HE2 LYS 65 4.445 7.776 -2.957 370 HE3 LYS 65 HE3 LYS 65 4.872 6.334 -3.863 371 HZ1 LYS 65 HZ1 LYS 65 5.633 7.548 -5.633 372 HZ2 LYS 65 HZ2 LYS 65 6.109 8.528 -4.330 373 HZ3 LYS 65 HZ3 LYS 65 4.731 8.929 -5.241 374 H VAL 66 H VAL 66 2.975 2.328 -2.435 375 HA VAL 66 HA VAL 66 3.491 3.436 0.049 376 HB VAL 66 HB VAL 66 3.101 0.634 -0.917 377 HG11 VAL 66 HG11 VAL 66 4.361 1.367 1.681 378 HG12 VAL 66 HG12 VAL 66 4.662 -0.017 0.630 379 HG13 VAL 66 HG13 VAL 66 3.211 0.032 1.630 380 HG21 VAL 66 HG21 VAL 66 1.221 0.729 0.638 381 HG22 VAL 66 HG22 VAL 66 1.195 2.090 -0.483 382 HG23 VAL 66 HG23 VAL 66 1.743 2.326 1.176 383 H TYR 67 H TYR 67 5.596 1.466 -1.988 384 HA TYR 67 HA TYR 67 7.711 1.307 -0.093 385 HB2 TYR 67 HB2 TYR 67 7.480 -0.358 -1.840 386 HB3 TYR 67 HB3 TYR 67 7.664 0.868 -3.086 387 HD1 TYR 67 HD1 TYR 67 9.449 -0.874 -0.340 388 HD2 TYR 67 HD2 TYR 67 9.804 1.459 -3.879 389 HE1 TYR 67 HE1 TYR 67 11.878 -1.247 -0.334 390 HE2 TYR 67 HE2 TYR 67 12.234 1.084 -3.889 391 HH TYR 67 HH TYR 67 13.761 -1.221 -1.874 392 H GLU 68 H GLU 68 7.128 3.353 -2.949 393 HA GLU 68 HA GLU 68 9.525 4.791 -2.905 394 HB2 GLU 68 HB2 GLU 68 6.820 5.890 -3.695 395 HB3 GLU 68 HB3 GLU 68 8.392 6.462 -4.237 396 HG2 GLU 68 HG2 GLU 68 8.758 4.328 -5.384 397 HG3 GLU 68 HG3 GLU 68 7.166 3.786 -4.862 398 H LEU 69 H LEU 69 6.437 5.454 -1.322 399 HA LEU 69 HA LEU 69 7.096 7.928 -0.182 400 HB2 LEU 69 HB2 LEU 69 5.117 5.799 0.576 401 HB3 LEU 69 HB3 LEU 69 5.236 7.310 1.453 402 HG LEU 69 HG LEU 69 4.542 6.987 -1.464 403 HD11 LEU 69 HD11 LEU 69 2.815 6.435 0.286 404 HD12 LEU 69 HD12 LEU 69 2.371 7.687 -0.866 405 HD13 LEU 69 HD13 LEU 69 2.882 8.124 0.764 406 HD21 LEU 69 HD21 LEU 69 4.487 9.300 -1.685 407 HD22 LEU 69 HD22 LEU 69 5.952 9.032 -0.742 408 HD23 LEU 69 HD23 LEU 69 4.472 9.567 0.057 409 H MET 70 H MET 70 7.835 4.677 0.856 410 HA MET 70 HA MET 70 8.559 5.166 3.513 411 HB2 MET 70 HB2 MET 70 9.832 3.267 1.530 412 HB3 MET 70 HB3 MET 70 10.131 3.248 3.260 413 HG2 MET 70 HG2 MET 70 7.780 2.727 3.656 414 HG3 MET 70 HG3 MET 70 7.491 2.730 1.917 415 HE1 MET 70 HE1 MET 70 7.198 -1.035 2.552 416 HE2 MET 70 HE2 MET 70 6.446 0.451 1.969 417 HE3 MET 70 HE3 MET 70 6.683 0.201 3.700 418 H GLN 71 H GLN 71 10.591 5.267 0.573 419 HA GLN 71 HA GLN 71 12.843 6.272 2.044 420 HB2 GLN 71 HB2 GLN 71 13.957 6.445 -0.131 421 HB3 GLN 71 HB3 GLN 71 13.223 4.866 0.099 422 HG2 GLN 71 HG2 GLN 71 12.027 5.084 -1.742 423 HG3 GLN 71 HG3 GLN 71 11.384 6.637 -1.211 424 HE21 GLN 71 HE22 GLN 71 14.047 7.843 -1.051 425 HE22 GLN 71 HE21 GLN 71 14.525 8.151 -2.684 426 H GLU 72 H GLU 72 10.150 7.668 0.368 427 HA GLU 72 HA GLU 72 11.203 10.282 0.064 428 HB2 GLU 72 HB2 GLU 72 8.331 9.444 0.503 429 HB3 GLU 72 HB3 GLU 72 8.855 11.040 -0.017 430 HG2 GLU 72 HG2 GLU 72 9.904 9.893 -2.013 431 HG3 GLU 72 HG3 GLU 72 9.026 8.453 -1.504 432 H GLY 73 H GLY 73 9.884 8.504 2.745 433 HA2 GLY 73 HA2 GLY 73 10.551 8.994 4.968 434 HA3 GLY 73 HA3 GLY 73 10.782 10.676 4.505 435 H LYS 74 H LYS 74 8.001 8.654 3.789 436 HA LYS 74 HA LYS 74 6.291 10.626 5.072 437 HB2 LYS 74 HB2 LYS 74 5.439 8.104 3.671 438 HB3 LYS 74 HB3 LYS 74 4.474 9.529 3.995 439 HG2 LYS 74 HG2 LYS 74 6.884 9.635 2.201 440 HG3 LYS 74 HG3 LYS 74 5.284 9.180 1.615 441 HD2 LYS 74 HD2 LYS 74 4.613 11.297 1.558 442 HD3 LYS 74 HD3 LYS 74 5.157 11.580 3.215 443 HE2 LYS 74 HE2 LYS 74 7.227 11.387 1.107 444 HE3 LYS 74 HE3 LYS 74 6.219 12.838 1.115 445 HZ1 LYS 74 HZ1 LYS 74 6.849 13.225 3.412 446 HZ2 LYS 74 HZ2 LYS 74 8.229 13.139 2.427 447 HZ3 LYS 74 HZ3 LYS 74 7.809 11.827 3.414 448 H SER 75 H SER 75 4.621 9.958 6.524 449 HA SER 75 HA SER 75 5.453 7.876 8.390 450 HB2 SER 75 HB2 SER 75 3.277 9.974 8.596 451 HB3 SER 75 HB3 SER 75 3.794 8.897 9.897 452 HG SER 75 HG SER 75 5.006 11.175 8.870 453 H LYS 76 H LYS 76 3.413 6.648 9.388 454 HA LYS 76 HA LYS 76 2.525 4.953 7.342 455 HB2 LYS 76 HB2 LYS 76 1.834 5.306 10.203 456 HB3 LYS 76 HB3 LYS 76 0.708 4.391 9.214 457 HG2 LYS 76 HG2 LYS 76 2.184 2.849 10.228 458 HG3 LYS 76 HG3 LYS 76 2.606 2.929 8.526 459 HD2 LYS 76 HD2 LYS 76 4.053 4.682 10.448 460 HD3 LYS 76 HD3 LYS 76 4.451 2.966 10.408 461 HE2 LYS 76 HE2 LYS 76 4.863 3.171 7.978 462 HE3 LYS 76 HE3 LYS 76 4.567 4.906 8.095 463 HZ1 LYS 76 HZ1 LYS 76 6.732 3.383 9.453 464 HZ2 LYS 76 HZ2 LYS 76 6.427 5.038 9.680 465 HZ3 LYS 76 HZ3 LYS 76 6.919 4.467 8.162 466 H LYS 77 H LYS 77 0.608 7.322 9.186 467 HA LYS 77 HA LYS 77 -1.699 7.108 7.554 468 HB2 LYS 77 HB2 LYS 77 -0.885 9.470 9.254 469 HB3 LYS 77 HB3 LYS 77 -2.516 9.016 8.762 470 HG2 LYS 77 HG2 LYS 77 -0.699 7.488 10.594 471 HG3 LYS 77 HG3 LYS 77 -2.152 8.388 11.059 472 HD2 LYS 77 HD2 LYS 77 -3.526 6.889 9.718 473 HD3 LYS 77 HD3 LYS 77 -2.075 6.033 9.184 474 HE2 LYS 77 HE2 LYS 77 -2.735 6.272 12.088 475 HE3 LYS 77 HE3 LYS 77 -3.497 5.030 11.098 476 HZ1 LYS 77 HZ1 LYS 77 -1.547 4.144 12.142 477 HZ2 LYS 77 HZ2 LYS 77 -0.578 5.396 11.534 478 HZ3 LYS 77 HZ3 LYS 77 -1.267 4.257 10.475 479 H GLU 78 H GLU 78 1.192 8.996 7.432 480 HA GLU 78 HA GLU 78 0.330 10.906 5.518 481 HB2 GLU 78 HB2 GLU 78 2.264 11.304 6.897 482 HB3 GLU 78 HB3 GLU 78 3.086 9.900 6.232 483 HG2 GLU 78 HG2 GLU 78 4.027 11.831 5.241 484 HG3 GLU 78 HG3 GLU 78 3.044 11.031 4.012 485 H ILE 79 H ILE 79 1.839 7.719 5.269 486 HA ILE 79 HA ILE 79 2.239 7.740 2.487 487 HB ILE 79 HB ILE 79 2.167 5.635 4.571 488 HG12 ILE 79 HG12 ILE 79 4.060 5.098 2.557 489 HG13 ILE 79 HG13 ILE 79 4.034 6.846 2.739 490 HG21 ILE 79 HG21 ILE 79 1.240 5.151 1.811 491 HG22 ILE 79 HG22 ILE 79 0.867 4.280 3.302 492 HG23 ILE 79 HG23 ILE 79 2.396 3.989 2.470 493 HD11 ILE 79 HD11 ILE 79 4.411 4.909 5.012 494 HD12 ILE 79 HD12 ILE 79 4.596 6.664 5.069 495 HD13 ILE 79 HD13 ILE 79 5.726 5.686 4.132 496 H VAL 80 H VAL 80 -0.463 6.418 4.418 497 HA VAL 80 HA VAL 80 -1.982 5.674 2.156 498 HB VAL 80 HB VAL 80 -2.549 4.583 4.177 499 HG11 VAL 80 HG11 VAL 80 -3.106 7.283 5.372 500 HG12 VAL 80 HG12 VAL 80 -1.754 6.226 5.774 501 HG13 VAL 80 HG13 VAL 80 -3.404 5.735 6.161 502 HG21 VAL 80 HG21 VAL 80 -4.448 4.971 2.755 503 HG22 VAL 80 HG22 VAL 80 -4.695 6.551 3.496 504 HG23 VAL 80 HG23 VAL 80 -4.945 5.088 4.448 505 H ASP 81 H ASP 81 -1.729 8.637 3.990 506 HA ASP 81 HA ASP 81 -3.975 9.932 2.822 507 HB2 ASP 81 HB2 ASP 81 -2.883 10.704 4.922 508 HB3 ASP 81 HB3 ASP 81 -1.487 11.217 3.975 509 H TYR 82 H TYR 82 -0.575 9.674 1.969 510 HA TYR 82 HA TYR 82 -0.612 11.461 -0.234 511 HB2 TYR 82 HB2 TYR 82 1.440 10.334 0.938 512 HB3 TYR 82 HB3 TYR 82 1.113 8.995 -0.144 513 HD1 TYR 82 HD2 TYR 82 1.230 9.359 -2.632 514 HD2 TYR 82 HD1 TYR 82 2.564 12.280 0.158 515 HE1 TYR 82 HE2 TYR 82 2.516 10.465 -4.413 516 HE2 TYR 82 HE1 TYR 82 3.850 13.391 -1.616 517 HH TYR 82 HH TYR 82 4.877 12.812 -3.786 518 H MET 83 H MET 83 -1.256 8.045 0.183 519 HA MET 83 HA MET 83 -1.597 7.304 -2.480 520 HB2 MET 83 HB2 MET 83 -2.932 6.235 0.013 521 HB3 MET 83 HB3 MET 83 -3.050 5.475 -1.568 522 HG2 MET 83 HG2 MET 83 -0.301 5.958 -0.901 523 HG3 MET 83 HG3 MET 83 -1.100 5.069 0.393 524 HE1 MET 83 HE1 MET 83 -2.067 4.932 -3.416 525 HE2 MET 83 HE2 MET 83 -1.050 3.610 -3.989 526 HE3 MET 83 HE3 MET 83 -0.315 5.129 -3.471 527 H VAL 84 H VAL 84 -4.049 8.442 -0.127 528 HA VAL 84 HA VAL 84 -6.130 8.394 -2.083 529 HB VAL 84 HB VAL 84 -7.552 9.484 -0.517 530 HG11 VAL 84 HG11 VAL 84 -5.692 7.617 0.926 531 HG12 VAL 84 HG12 VAL 84 -7.123 7.185 -0.004 532 HG13 VAL 84 HG13 VAL 84 -7.288 8.097 1.497 533 HG21 VAL 84 HG21 VAL 84 -6.540 11.308 0.398 534 HG22 VAL 84 HG22 VAL 84 -5.027 10.458 0.710 535 HG23 VAL 84 HG23 VAL 84 -6.420 10.191 1.758 536 H ALA 85 H ALA 85 -3.789 10.761 -1.082 537 HA ALA 85 HA ALA 85 -5.010 13.074 -2.062 538 HB1 ALA 85 HB1 ALA 85 -2.621 13.937 -2.188 539 HB2 ALA 85 HB2 ALA 85 -2.133 12.340 -1.619 540 HB3 ALA 85 HB3 ALA 85 -3.179 13.351 -0.621 541 H ARG 86 H ARG 86 -2.828 10.768 -3.644 542 HA ARG 86 HA ARG 86 -3.225 12.168 -6.190 543 HB2 ARG 86 HB2 ARG 86 -1.077 10.606 -5.044 544 HB3 ARG 86 HB3 ARG 86 -1.533 9.980 -6.620 545 HG2 ARG 86 HG2 ARG 86 0.188 11.531 -7.009 546 HG3 ARG 86 HG3 ARG 86 -1.305 12.330 -7.497 547 HD2 ARG 86 HD2 ARG 86 0.020 12.714 -4.816 548 HD3 ARG 86 HD3 ARG 86 0.280 13.766 -6.206 549 HE ARG 86 HE ARG 86 -2.474 13.403 -5.342 550 HH11 ARG 86 HH11 ARG 86 0.397 15.415 -5.347 551 HH12 ARG 86 HH12 ARG 86 -0.452 16.835 -4.805 552 HH21 ARG 86 HH22 ARG 86 -3.586 15.279 -4.647 553 HH22 ARG 86 HH21 ARG 86 -2.698 16.756 -4.402 554 H TYR 87 H TYR 87 -3.439 8.910 -4.828 555 HA TYR 87 HA TYR 87 -4.709 7.924 -7.267 556 HB2 TYR 87 HB2 TYR 87 -3.723 6.414 -4.847 557 HB3 TYR 87 HB3 TYR 87 -4.234 5.709 -6.373 558 HD1 TYR 87 HD2 TYR 87 -2.814 6.055 -8.413 559 HD2 TYR 87 HD1 TYR 87 -1.523 7.250 -4.537 560 HE1 TYR 87 HE2 TYR 87 -0.497 6.179 -9.228 561 HE2 TYR 87 HE1 TYR 87 0.812 7.374 -5.336 562 HH TYR 87 HH TYR 87 1.590 6.996 -8.739 563 H GLY 88 H GLY 88 -6.272 9.635 -5.578 564 HA2 GLY 88 HA2 GLY 88 -7.710 8.087 -3.666 565 HA3 GLY 88 HA3 GLY 88 -8.109 9.717 -4.185 566 H ASN 89 H ASN 89 -7.958 8.018 -6.977 567 HA ASN 89 HA ASN 89 -10.824 7.407 -6.916 568 HB2 ASN 89 HB2 ASN 89 -8.855 7.770 -9.169 569 HB3 ASN 89 HB3 ASN 89 -10.461 7.096 -9.433 570 HD21 ASN 89 HD22 ASN 89 -9.178 9.603 -10.349 571 HD22 ASN 89 HD21 ASN 89 -10.260 10.867 -9.862 572 H PHE 90 H PHE 90 -7.959 5.893 -6.394 573 HA PHE 90 HA PHE 90 -9.091 3.274 -7.138 574 HB2 PHE 90 HB2 PHE 90 -6.166 4.043 -7.003 575 HB3 PHE 90 HB3 PHE 90 -6.788 2.441 -7.380 576 HD1 PHE 90 HD2 PHE 90 -8.154 2.141 -9.478 577 HD2 PHE 90 HD1 PHE 90 -5.916 5.671 -8.670 578 HE1 PHE 90 HE2 PHE 90 -8.229 2.735 -11.866 579 HE2 PHE 90 HE1 PHE 90 -5.990 6.271 -11.055 580 HZ PHE 90 HZ PHE 90 -7.148 4.801 -12.656 581 H VAL 91 H VAL 91 -7.789 5.297 -4.703 582 HA VAL 91 HA VAL 91 -7.784 3.060 -2.790 583 HB VAL 91 HB VAL 91 -5.840 3.763 -1.794 584 HG11 VAL 91 HG11 VAL 91 -5.331 5.116 -4.436 585 HG12 VAL 91 HG12 VAL 91 -5.419 3.352 -4.266 586 HG13 VAL 91 HG13 VAL 91 -4.180 4.259 -3.397 587 HG21 VAL 91 HG21 VAL 91 -6.637 5.953 -1.150 588 HG22 VAL 91 HG22 VAL 91 -6.398 6.546 -2.793 589 HG23 VAL 91 HG23 VAL 91 -5.008 6.075 -1.815 590 H THR 92 H THR 92 -8.119 3.848 -0.489 591 HA THR 92 HA THR 92 -9.394 6.447 -0.212 592 HB THR 92 HB THR 92 -10.858 3.923 0.666 593 HG1 THR 92 HG1 THR 92 -10.777 5.146 -1.754 594 HG21 THR 92 HG21 THR 92 -11.309 5.906 2.040 595 HG22 THR 92 HG22 THR 92 -12.726 5.434 1.099 596 HG23 THR 92 HG23 THR 92 -11.750 6.812 0.588 597 H TYR 93 H TYR 93 -9.326 7.227 1.962 598 HA TYR 93 HA TYR 93 -8.116 5.341 3.873 599 HB2 TYR 93 HB2 TYR 93 -6.672 7.291 3.507 600 HB3 TYR 93 HB3 TYR 93 -7.996 8.369 3.952 601 HD1 TYR 93 HD1 TYR 93 -6.935 5.167 5.513 602 HD2 TYR 93 HD2 TYR 93 -7.271 9.384 5.956 603 HE1 TYR 93 HE1 TYR 93 -6.296 4.958 7.874 604 HE2 TYR 93 HE2 TYR 93 -6.630 9.187 8.324 605 HH TYR 93 HH TYR 93 -5.523 6.145 9.681 606 H ASP 94 H ASP 94 -9.634 4.460 4.975 607 HA ASP 94 HA ASP 94 -11.536 5.962 6.522 608 HB2 ASP 94 HB2 ASP 94 -12.293 4.872 3.944 609 HB3 ASP 94 HB3 ASP 94 -13.154 4.035 5.228 610 HA PRO 95 HA PRO 95 -11.193 2.237 9.057 611 HB2 PRO 95 HB3 PRO 95 -13.882 1.851 9.660 612 HB3 PRO 95 HB2 PRO 95 -12.775 2.874 10.577 613 HG2 PRO 95 HG2 PRO 95 -14.773 3.633 8.496 614 HG3 PRO 95 HG3 PRO 95 -14.324 4.484 9.987 615 HD2 PRO 95 HD2 PRO 95 -13.440 5.291 7.585 616 HD3 PRO 95 HD3 PRO 95 -12.412 5.397 9.031 617 HA PRO 96 HA PRO 96 -12.163 -0.522 5.739 618 HB2 PRO 96 HB3 PRO 96 -10.690 -2.636 6.878 619 HB3 PRO 96 HB2 PRO 96 -10.096 -1.416 5.755 620 HG2 PRO 96 HG2 PRO 96 -9.346 -1.730 8.448 621 HG3 PRO 96 HG3 PRO 96 -8.938 -0.381 7.378 622 HD2 PRO 96 HD2 PRO 96 -11.017 -0.575 9.475 623 HD3 PRO 96 HD3 PRO 96 -10.141 0.846 8.867 624 H LEU 97 H LEU 97 -12.584 -3.078 5.673 625 HA LEU 97 HA LEU 97 -15.085 -3.434 7.074 626 HB2 LEU 97 HB2 LEU 97 -13.550 -5.089 5.097 627 HB3 LEU 97 HB3 LEU 97 -15.011 -5.683 5.855 628 HG LEU 97 HG LEU 97 -15.575 -4.856 3.678 629 HD11 LEU 97 HD11 LEU 97 -17.261 -3.198 4.220 630 HD12 LEU 97 HD12 LEU 97 -16.460 -2.864 5.755 631 HD13 LEU 97 HD13 LEU 97 -17.189 -4.444 5.466 632 HD21 LEU 97 HD21 LEU 97 -13.697 -3.372 3.287 633 HD22 LEU 97 HD22 LEU 97 -14.307 -2.248 4.503 634 HD23 LEU 97 HD23 LEU 97 -15.218 -2.521 3.017 635 H THR 98 H THR 98 -12.210 -3.590 8.212 636 HA THR 98 HA THR 98 -11.709 -6.079 9.295 637 HB THR 98 HB THR 98 -10.202 -4.050 9.360 638 HG1 THR 98 HG1 THR 98 -10.516 -5.189 11.952 639 HG21 THR 98 HG21 THR 98 -10.379 -2.517 11.242 640 HG22 THR 98 HG22 THR 98 -11.873 -3.303 11.756 641 HG23 THR 98 HG23 THR 98 -11.816 -2.430 10.224 642 HA PRO 99 HA PRO 99 -15.086 -6.817 12.078 643 HB2 PRO 99 HB3 PRO 99 -13.723 -8.370 13.908 644 HB3 PRO 99 HB2 PRO 99 -14.400 -8.964 12.390 645 HG2 PRO 99 HG2 PRO 99 -11.591 -8.172 13.034 646 HG3 PRO 99 HG3 PRO 99 -12.179 -9.528 12.056 647 HD2 PRO 99 HD2 PRO 99 -11.204 -7.302 10.924 648 HD3 PRO 99 HD3 PRO 99 -12.565 -8.189 10.205
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