NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621567 | 5y95 | 27227 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 25 HN GLY 25 12.509 22.682 -3.762 2 HA2 GLY 25 HA2 GLY 25 13.390 22.972 -6.573 3 HA3 GLY 25 HA1 GLY 25 14.089 21.828 -5.437 4 H SER 26 HN SER 26 12.932 19.952 -4.889 5 HA SER 26 HA SER 26 10.432 19.439 -6.292 6 HB2 SER 26 HB2 SER 26 11.855 17.091 -6.735 7 HB3 SER 26 HB1 SER 26 11.442 18.298 -7.949 8 HG SER 26 HG SER 26 13.788 18.407 -6.337 9 H SER 27 HN SER 27 9.249 17.693 -5.441 10 HA SER 27 HA SER 27 9.792 17.183 -2.650 11 HB2 SER 27 HB2 SER 27 7.507 17.752 -3.448 12 HB3 SER 27 HB1 SER 27 7.483 16.256 -4.374 13 HG SER 27 HG SER 27 7.071 15.180 -2.617 14 H GLY 28 HN GLY 28 11.662 15.885 -2.846 15 HA2 GLY 28 HA2 GLY 28 11.001 13.081 -3.361 16 HA3 GLY 28 HA1 GLY 28 12.381 13.776 -4.192 17 H SER 29 HN SER 29 11.951 11.664 -2.004 18 HA SER 29 HA SER 29 14.116 12.644 -0.276 19 HB2 SER 29 HB2 SER 29 11.975 10.866 0.843 20 HB3 SER 29 HB1 SER 29 13.047 11.984 1.689 21 HG SER 29 HG SER 29 11.035 12.834 -0.122 22 H SER 30 HN SER 30 15.793 11.397 -0.863 23 HA SER 30 HA SER 30 15.350 8.623 -1.622 24 HB2 SER 30 HB2 SER 30 17.982 10.099 -1.617 25 HB3 SER 30 HB1 SER 30 17.541 8.671 -2.551 26 HG SER 30 HG SER 30 17.310 11.225 -3.243 27 H GLY 31 HN GLY 31 16.664 6.929 -0.732 28 HA2 GLY 31 HA2 GLY 31 17.949 5.906 0.919 29 HA3 GLY 31 HA1 GLY 31 18.025 7.433 1.777 30 H VAL 32 HN VAL 32 15.996 4.635 1.112 31 HA VAL 32 HA VAL 32 14.183 5.385 3.260 32 HB VAL 32 HB VAL 32 13.042 3.207 2.724 33 HG11 VAL 32 HG11 VAL 32 11.907 4.074 0.833 34 HG12 VAL 32 HG12 VAL 32 13.317 5.005 0.334 35 HG13 VAL 32 HG13 VAL 32 12.431 5.463 1.787 36 HG21 VAL 32 HG21 VAL 32 15.280 2.410 1.564 37 HG22 VAL 32 HG22 VAL 32 14.509 3.118 0.145 38 HG23 VAL 32 HG23 VAL 32 13.705 1.823 1.031 39 H HIS 33 HN HIS 33 13.589 3.432 4.766 40 HA HIS 33 HA HIS 33 16.119 2.596 5.978 41 HB2 HIS 33 HB2 HIS 33 13.288 2.697 7.029 42 HB3 HIS 33 HB1 HIS 33 14.645 2.051 7.944 43 HD2 HIS 33 HD2 HIS 33 13.944 5.513 6.147 44 HE1 HIS 33 HE1 HIS 33 15.943 6.135 9.818 45 HE2 HIS 33 HE2 HIS 33 14.916 7.268 7.795 46 H VAL 34 HN VAL 34 15.807 0.360 7.241 47 HA VAL 34 HA VAL 34 15.652 -1.602 5.200 48 HB VAL 34 HB VAL 34 16.012 -3.265 6.964 49 HG11 VAL 34 HG11 VAL 34 17.912 -2.003 6.036 50 HG12 VAL 34 HG12 VAL 34 18.183 -2.500 7.707 51 HG13 VAL 34 HG13 VAL 34 17.750 -0.830 7.344 52 HG21 VAL 34 HG21 VAL 34 15.875 -0.977 8.918 53 HG22 VAL 34 HG22 VAL 34 16.150 -2.680 9.282 54 HG23 VAL 34 HG23 VAL 34 14.584 -2.151 8.672 55 H GLU 35 HN GLU 35 13.323 -0.312 7.372 56 HA GLU 35 HA GLU 35 11.351 -2.203 6.303 57 HB2 GLU 35 HB2 GLU 35 12.012 -2.748 8.695 58 HB3 GLU 35 HB1 GLU 35 11.299 -1.209 9.153 59 HG2 GLU 35 HG2 GLU 35 9.143 -1.984 8.175 60 HG3 GLU 35 HG1 GLU 35 9.892 -3.557 7.909 61 H ASP 36 HN ASP 36 10.745 -0.640 4.824 62 HA ASP 36 HA ASP 36 9.764 1.922 5.820 63 HB2 ASP 36 HB2 ASP 36 9.489 2.420 3.352 64 HB3 ASP 36 HB1 ASP 36 11.138 2.116 3.871 65 H ALA 37 HN ALA 37 8.501 -0.890 6.007 66 HA ALA 37 HA ALA 37 6.094 -0.869 4.554 67 HB1 ALA 37 HB1 ALA 37 7.021 -2.873 5.572 68 HB2 ALA 37 HB2 ALA 37 5.372 -2.592 6.129 69 HB3 ALA 37 HB3 ALA 37 6.737 -2.206 7.178 70 H LEU 38 HN LEU 38 6.900 0.293 7.802 71 HA LEU 38 HA LEU 38 4.236 1.029 8.468 72 HB2 LEU 38 HB2 LEU 38 5.319 2.287 10.332 73 HB3 LEU 38 HB1 LEU 38 5.750 0.589 10.251 74 HG LEU 38 HG LEU 38 7.676 2.089 8.756 75 HD11 LEU 38 HD11 LEU 38 6.976 4.008 10.114 76 HD12 LEU 38 HD12 LEU 38 8.612 3.488 10.512 77 HD13 LEU 38 HD13 LEU 38 7.271 3.075 11.579 78 HD21 LEU 38 HD21 LEU 38 8.067 -0.092 9.763 79 HD22 LEU 38 HD22 LEU 38 7.850 0.595 11.375 80 HD23 LEU 38 HD23 LEU 38 9.219 1.090 10.380 81 H THR 39 HN THR 39 6.787 2.589 6.734 82 HA THR 39 HA THR 39 6.075 5.279 7.045 83 HB THR 39 HB THR 39 7.203 4.184 4.484 84 HG1 THR 39 HG1 THR 39 8.891 4.758 6.659 85 HG21 THR 39 HG21 THR 39 8.088 6.597 6.036 86 HG22 THR 39 HG22 THR 39 6.712 6.668 4.937 87 HG23 THR 39 HG23 THR 39 8.310 6.242 4.324 88 H TYR 40 HN TYR 40 5.353 3.134 4.275 89 HA TYR 40 HA TYR 40 3.551 4.945 3.059 90 HB2 TYR 40 HB2 TYR 40 4.605 3.307 1.687 91 HB3 TYR 40 HB1 TYR 40 4.037 1.995 2.702 92 HD1 TYR 40 HD1 TYR 40 1.728 1.169 2.500 93 HD2 TYR 40 HD2 TYR 40 3.153 4.333 0.033 94 HE1 TYR 40 HE1 TYR 40 -0.192 0.858 1.003 95 HE2 TYR 40 HE2 TYR 40 1.227 4.027 -1.467 96 HH TYR 40 HH TYR 40 -1.474 2.142 -0.630 97 H LEU 41 HN LEU 41 3.142 2.407 5.422 98 HA LEU 41 HA LEU 41 0.415 1.921 5.265 99 HB2 LEU 41 HB2 LEU 41 2.483 1.167 6.927 100 HB3 LEU 41 HB1 LEU 41 1.427 2.052 8.006 101 HG LEU 41 HG LEU 41 0.951 -0.345 8.054 102 HD11 LEU 41 HD11 LEU 41 -1.513 -0.199 7.408 103 HD12 LEU 41 HD12 LEU 41 -1.169 1.471 6.956 104 HD13 LEU 41 HD13 LEU 41 -0.919 0.937 8.617 105 HD21 LEU 41 HD21 LEU 41 1.611 -0.942 5.799 106 HD22 LEU 41 HD22 LEU 41 0.276 -0.004 5.132 107 HD23 LEU 41 HD23 LEU 41 -0.054 -1.439 6.098 108 H ASP 42 HN ASP 42 2.077 4.318 7.315 109 HA ASP 42 HA ASP 42 -0.379 5.452 8.265 110 HB2 ASP 42 HB2 ASP 42 1.772 5.453 9.549 111 HB3 ASP 42 HB1 ASP 42 2.401 6.631 8.400 112 H GLN 43 HN GLN 43 1.740 6.050 5.580 113 HA GLN 43 HA GLN 43 1.126 8.707 4.977 114 HB2 GLN 43 HB2 GLN 43 2.064 6.371 3.384 115 HB3 GLN 43 HB1 GLN 43 1.558 7.821 2.530 116 HG2 GLN 43 HG2 GLN 43 3.536 7.978 4.766 117 HG3 GLN 43 HG1 GLN 43 4.039 7.535 3.132 118 HE21 GLN 43 HE21 GLN 43 3.950 9.056 1.504 119 HE22 GLN 43 HE22 GLN 43 3.774 10.746 1.824 120 H VAL 44 HN VAL 44 -0.584 5.730 4.147 121 HA VAL 44 HA VAL 44 -2.426 6.860 2.335 122 HB VAL 44 HB VAL 44 -2.973 4.506 4.151 123 HG11 VAL 44 HG11 VAL 44 -4.060 5.314 1.464 124 HG12 VAL 44 HG12 VAL 44 -4.939 5.243 2.989 125 HG13 VAL 44 HG13 VAL 44 -4.364 3.757 2.233 126 HG21 VAL 44 HG21 VAL 44 -1.510 4.594 1.517 127 HG22 VAL 44 HG22 VAL 44 -2.085 3.120 2.292 128 HG23 VAL 44 HG23 VAL 44 -0.854 4.106 3.081 129 H LYS 45 HN LYS 45 -2.378 6.632 5.827 130 HA LYS 45 HA LYS 45 -5.075 7.432 6.257 131 HB2 LYS 45 HB2 LYS 45 -3.756 6.192 7.931 132 HB3 LYS 45 HB1 LYS 45 -2.678 7.573 8.103 133 HG2 LYS 45 HG2 LYS 45 -4.384 8.883 9.096 134 HG3 LYS 45 HG1 LYS 45 -5.630 7.702 8.681 135 HD2 LYS 45 HD2 LYS 45 -5.314 6.762 10.672 136 HD3 LYS 45 HD1 LYS 45 -3.692 6.302 10.153 137 HE2 LYS 45 HE2 LYS 45 -4.439 8.914 11.471 138 HE3 LYS 45 HE1 LYS 45 -3.706 7.535 12.289 139 HZ1 LYS 45 HZ1 LYS 45 -1.981 9.046 11.781 140 HZ2 LYS 45 HZ2 LYS 45 -2.502 9.241 10.186 141 HZ3 LYS 45 HZ3 LYS 45 -1.813 7.773 10.675 142 H ILE 46 HN ILE 46 -2.025 9.120 5.931 143 HA ILE 46 HA ILE 46 -3.067 11.665 6.751 144 HB ILE 46 HB ILE 46 -0.541 11.115 5.184 145 HG12 ILE 46 HG12 ILE 46 -0.786 11.408 8.179 146 HG13 ILE 46 HG11 ILE 46 -0.814 9.841 7.383 147 HG21 ILE 46 HG21 ILE 46 -1.270 13.453 5.200 148 HG22 ILE 46 HG22 ILE 46 0.223 13.229 6.109 149 HG23 ILE 46 HG23 ILE 46 -1.307 13.428 6.963 150 HD11 ILE 46 HD11 ILE 46 1.413 10.267 6.478 151 HD12 ILE 46 HD12 ILE 46 1.391 10.333 8.240 152 HD13 ILE 46 HD13 ILE 46 1.442 11.825 7.302 153 H ARG 47 HN ARG 47 -2.557 9.997 3.700 154 HA ARG 47 HA ARG 47 -3.116 12.234 2.031 155 HB2 ARG 47 HB2 ARG 47 -2.707 9.328 1.685 156 HB3 ARG 47 HB1 ARG 47 -3.690 10.107 0.452 157 HG2 ARG 47 HG2 ARG 47 -1.051 11.274 1.230 158 HG3 ARG 47 HG1 ARG 47 -1.123 9.908 0.114 159 HD2 ARG 47 HD2 ARG 47 -2.481 11.168 -1.420 160 HD3 ARG 47 HD1 ARG 47 -2.646 12.485 -0.260 161 HE ARG 47 HE ARG 47 0.044 12.270 -0.657 162 HH11 ARG 47 HH11 ARG 47 -1.836 13.617 -3.944 163 HH12 ARG 47 HH12 ARG 47 -2.711 12.692 -2.766 164 HH21 ARG 47 HH21 ARG 47 1.199 13.535 -2.191 165 HH22 ARG 47 HH22 ARG 47 0.382 14.096 -3.615 166 H PHE 48 HN PHE 48 -5.074 9.548 3.265 167 HA PHE 48 HA PHE 48 -7.452 10.847 2.127 168 HB2 PHE 48 HB2 PHE 48 -6.971 7.988 2.973 169 HB3 PHE 48 HB1 PHE 48 -8.558 8.614 2.542 170 HD1 PHE 48 HD1 PHE 48 -8.958 9.444 0.236 171 HD2 PHE 48 HD2 PHE 48 -5.401 7.380 1.323 172 HE1 PHE 48 HE1 PHE 48 -8.507 8.999 -2.135 173 HE2 PHE 48 HE2 PHE 48 -4.930 6.929 -1.051 174 HZ PHE 48 HZ PHE 48 -6.483 7.738 -2.791 175 H GLY 49 HN GLY 49 -6.384 12.006 4.366 176 HA2 GLY 49 HA2 GLY 49 -7.444 11.059 6.802 177 HA3 GLY 49 HA1 GLY 49 -6.921 12.707 6.485 178 H SER 50 HN SER 50 -8.812 13.037 4.262 179 HA SER 50 HA SER 50 -11.163 13.646 5.882 180 HB2 SER 50 HB2 SER 50 -10.559 14.420 3.014 181 HB3 SER 50 HB1 SER 50 -11.831 15.088 4.039 182 HG SER 50 HG SER 50 -9.121 15.191 4.821 183 H ASP 51 HN ASP 51 -10.152 11.132 3.973 184 HA ASP 51 HA ASP 51 -12.930 10.413 3.320 185 HB2 ASP 51 HB2 ASP 51 -11.302 10.939 1.363 186 HB3 ASP 51 HB1 ASP 51 -10.615 9.360 1.734 187 HA PRO 52 HA PRO 52 -11.298 7.280 6.269 188 HB2 PRO 52 HB2 PRO 52 -13.742 6.764 7.389 189 HB3 PRO 52 HB1 PRO 52 -12.680 8.078 7.930 190 HG2 PRO 52 HG2 PRO 52 -15.055 8.187 6.145 191 HG3 PRO 52 HG1 PRO 52 -14.552 9.305 7.430 192 HD2 PRO 52 HD2 PRO 52 -14.144 9.828 4.808 193 HD3 PRO 52 HD1 PRO 52 -13.044 10.390 6.079 194 H ALA 53 HN ALA 53 -13.952 7.207 3.977 195 HA ALA 53 HA ALA 53 -14.541 4.450 4.116 196 HB1 ALA 53 HB1 ALA 53 -16.040 6.060 3.069 197 HB2 ALA 53 HB2 ALA 53 -15.628 4.757 1.954 198 HB3 ALA 53 HB3 ALA 53 -14.861 6.337 1.788 199 H THR 54 HN THR 54 -12.325 6.301 2.055 200 HA THR 54 HA THR 54 -11.470 4.097 0.504 201 HB THR 54 HB THR 54 -9.857 6.588 1.083 202 HG1 THR 54 HG1 THR 54 -11.921 7.211 0.360 203 HG21 THR 54 HG21 THR 54 -8.716 6.142 -0.912 204 HG22 THR 54 HG22 THR 54 -9.950 5.016 -1.480 205 HG23 THR 54 HG23 THR 54 -8.872 4.557 -0.161 206 H TYR 55 HN TYR 55 -10.213 5.547 3.487 207 HA TYR 55 HA TYR 55 -7.911 3.893 3.611 208 HB2 TYR 55 HB2 TYR 55 -8.179 6.049 4.842 209 HB3 TYR 55 HB1 TYR 55 -9.321 5.244 5.912 210 HD1 TYR 55 HD1 TYR 55 -6.012 4.181 4.530 211 HD2 TYR 55 HD2 TYR 55 -8.331 5.000 8.003 212 HE1 TYR 55 HE1 TYR 55 -4.145 3.427 5.943 213 HE2 TYR 55 HE2 TYR 55 -6.463 4.246 9.428 214 HH TYR 55 HH TYR 55 -4.496 2.777 9.251 215 H ASN 56 HN ASN 56 -11.188 3.592 4.887 216 HA ASN 56 HA ASN 56 -10.766 1.362 6.542 217 HB2 ASN 56 HB2 ASN 56 -13.027 2.831 5.524 218 HB3 ASN 56 HB1 ASN 56 -13.353 1.101 5.450 219 HD21 ASN 56 HD21 ASN 56 -14.498 3.199 7.146 220 HD22 ASN 56 HD22 ASN 56 -14.234 2.678 8.774 221 H GLY 57 HN GLY 57 -11.618 1.588 3.110 222 HA2 GLY 57 HA2 GLY 57 -11.930 -1.178 2.640 223 HA3 GLY 57 HA1 GLY 57 -11.555 0.035 1.422 224 H PHE 58 HN PHE 58 -9.143 0.952 2.537 225 HA PHE 58 HA PHE 58 -7.266 -0.754 1.379 226 HB2 PHE 58 HB2 PHE 58 -6.752 1.574 1.690 227 HB3 PHE 58 HB1 PHE 58 -6.973 1.453 3.430 228 HD1 PHE 58 HD1 PHE 58 -5.156 1.077 4.809 229 HD2 PHE 58 HD2 PHE 58 -4.821 0.237 0.652 230 HE1 PHE 58 HE1 PHE 58 -2.748 0.683 5.086 231 HE2 PHE 58 HE2 PHE 58 -2.405 -0.167 0.927 232 HZ PHE 58 HZ PHE 58 -1.371 0.055 3.143 233 H LEU 59 HN LEU 59 -8.276 -0.385 4.745 234 HA LEU 59 HA LEU 59 -6.415 -2.208 5.846 235 HB2 LEU 59 HB2 LEU 59 -9.134 -1.490 6.938 236 HB3 LEU 59 HB1 LEU 59 -7.773 -2.128 7.838 237 HG LEU 59 HG LEU 59 -7.727 0.558 6.469 238 HD11 LEU 59 HD11 LEU 59 -9.487 0.318 8.265 239 HD12 LEU 59 HD12 LEU 59 -8.282 1.582 8.506 240 HD13 LEU 59 HD13 LEU 59 -8.158 0.066 9.399 241 HD21 LEU 59 HD21 LEU 59 -5.985 -0.660 8.606 242 HD22 LEU 59 HD22 LEU 59 -5.832 0.968 7.946 243 HD23 LEU 59 HD23 LEU 59 -5.538 -0.432 6.915 244 H GLU 60 HN GLU 60 -9.686 -2.568 4.575 245 HA GLU 60 HA GLU 60 -10.156 -5.205 5.426 246 HB2 GLU 60 HB2 GLU 60 -11.237 -3.520 3.191 247 HB3 GLU 60 HB1 GLU 60 -11.687 -5.215 3.316 248 HG2 GLU 60 HG2 GLU 60 -12.041 -3.239 5.553 249 HG3 GLU 60 HG1 GLU 60 -13.282 -3.580 4.346 250 H ILE 61 HN ILE 61 -8.712 -3.944 2.449 251 HA ILE 61 HA ILE 61 -8.356 -6.441 1.194 252 HB ILE 61 HB ILE 61 -6.683 -3.946 0.846 253 HG12 ILE 61 HG12 ILE 61 -9.046 -4.789 -0.829 254 HG13 ILE 61 HG11 ILE 61 -9.218 -3.736 0.574 255 HG21 ILE 61 HG21 ILE 61 -6.133 -4.825 -1.333 256 HG22 ILE 61 HG22 ILE 61 -7.176 -6.224 -1.072 257 HG23 ILE 61 HG23 ILE 61 -5.717 -6.019 -0.104 258 HD11 ILE 61 HD11 ILE 61 -9.067 -2.608 -1.676 259 HD12 ILE 61 HD12 ILE 61 -7.371 -3.103 -1.706 260 HD13 ILE 61 HD13 ILE 61 -7.958 -2.032 -0.433 261 H MET 62 HN MET 62 -6.403 -4.620 3.484 262 HA MET 62 HA MET 62 -4.053 -6.172 3.338 263 HB2 MET 62 HB2 MET 62 -5.228 -4.481 5.547 264 HB3 MET 62 HB1 MET 62 -3.686 -5.304 5.709 265 HG2 MET 62 HG2 MET 62 -2.868 -4.057 3.727 266 HG3 MET 62 HG1 MET 62 -4.387 -3.158 3.722 267 HE1 MET 62 HE1 MET 62 -2.288 -4.317 6.945 268 HE2 MET 62 HE2 MET 62 -1.185 -2.944 7.033 269 HE3 MET 62 HE3 MET 62 -1.142 -4.023 5.637 270 H LYS 63 HN LYS 63 -7.025 -6.495 5.182 271 HA LYS 63 HA LYS 63 -6.183 -8.529 6.932 272 HB2 LYS 63 HB2 LYS 63 -8.926 -7.881 5.859 273 HB3 LYS 63 HB1 LYS 63 -8.628 -9.034 7.151 274 HG2 LYS 63 HG2 LYS 63 -7.749 -7.285 8.569 275 HG3 LYS 63 HG1 LYS 63 -7.881 -6.114 7.258 276 HD2 LYS 63 HD2 LYS 63 -10.374 -6.636 7.251 277 HD3 LYS 63 HD1 LYS 63 -10.093 -7.468 8.784 278 HE2 LYS 63 HE2 LYS 63 -9.304 -5.437 9.802 279 HE3 LYS 63 HE1 LYS 63 -9.363 -4.585 8.257 280 HZ1 LYS 63 HZ1 LYS 63 -11.785 -4.967 8.247 281 HZ2 LYS 63 HZ2 LYS 63 -11.270 -4.010 9.549 282 HZ3 LYS 63 HZ3 LYS 63 -11.672 -5.634 9.798 283 H GLU 64 HN GLU 64 -7.502 -8.663 3.654 284 HA GLU 64 HA GLU 64 -7.896 -11.453 3.551 285 HB2 GLU 64 HB2 GLU 64 -7.423 -9.376 1.428 286 HB3 GLU 64 HB1 GLU 64 -7.621 -11.077 1.020 287 HG2 GLU 64 HG2 GLU 64 -9.779 -10.801 2.520 288 HG3 GLU 64 HG1 GLU 64 -9.602 -9.119 2.035 289 H PHE 65 HN PHE 65 -5.097 -9.418 2.966 290 HA PHE 65 HA PHE 65 -3.454 -11.535 1.974 291 HB2 PHE 65 HB2 PHE 65 -3.034 -9.131 1.477 292 HB3 PHE 65 HB1 PHE 65 -2.596 -8.884 3.166 293 HD1 PHE 65 HD1 PHE 65 -0.351 -8.930 3.686 294 HD2 PHE 65 HD2 PHE 65 -1.729 -11.156 0.330 295 HE1 PHE 65 HE1 PHE 65 1.962 -9.598 3.188 296 HE2 PHE 65 HE2 PHE 65 0.583 -11.829 -0.181 297 HZ PHE 65 HZ PHE 65 2.435 -11.052 1.249 298 H LYS 66 HN LYS 66 -4.082 -10.086 5.117 299 HA LYS 66 HA LYS 66 -2.047 -11.431 6.551 300 HB2 LYS 66 HB2 LYS 66 -4.692 -10.270 7.445 301 HB3 LYS 66 HB1 LYS 66 -3.508 -10.937 8.557 302 HG2 LYS 66 HG2 LYS 66 -1.895 -9.266 7.943 303 HG3 LYS 66 HG1 LYS 66 -2.957 -8.660 6.674 304 HD2 LYS 66 HD2 LYS 66 -3.212 -7.161 8.478 305 HD3 LYS 66 HD1 LYS 66 -4.649 -8.187 8.501 306 HE2 LYS 66 HE2 LYS 66 -3.488 -9.605 10.209 307 HE3 LYS 66 HE1 LYS 66 -2.223 -8.378 10.274 308 HZ1 LYS 66 HZ1 LYS 66 -4.108 -6.773 10.795 309 HZ2 LYS 66 HZ2 LYS 66 -3.669 -7.858 12.010 310 HZ3 LYS 66 HZ3 LYS 66 -5.059 -8.144 11.091 311 H SER 67 HN SER 67 -5.122 -12.413 5.357 312 HA SER 67 HA SER 67 -5.164 -14.825 7.003 313 HB2 SER 67 HB2 SER 67 -7.137 -14.104 4.840 314 HB3 SER 67 HB1 SER 67 -7.385 -15.140 6.242 315 HG SER 67 HG SER 67 -6.929 -12.333 6.320 316 H GLN 68 HN GLN 68 -3.565 -13.875 4.379 317 HA GLN 68 HA GLN 68 -2.535 -14.844 2.618 318 HB2 GLN 68 HB2 GLN 68 -3.049 -17.350 4.219 319 HB3 GLN 68 HB1 GLN 68 -1.982 -17.260 2.829 320 HG2 GLN 68 HG2 GLN 68 -0.871 -15.325 4.203 321 HG3 GLN 68 HG1 GLN 68 -1.619 -16.164 5.563 322 HE21 GLN 68 HE21 GLN 68 -0.954 -18.297 6.026 323 HE22 GLN 68 HE22 GLN 68 0.572 -18.895 5.470 324 H SER 69 HN SER 69 -5.404 -14.432 2.459 325 HA SER 69 HA SER 69 -6.457 -16.654 0.946 326 HB2 SER 69 HB2 SER 69 -7.601 -13.864 1.172 327 HB3 SER 69 HB1 SER 69 -8.459 -15.354 0.775 328 HG SER 69 HG SER 69 -8.658 -15.761 2.818 329 H ILE 70 HN ILE 70 -4.669 -13.812 0.371 330 HA ILE 70 HA ILE 70 -4.801 -14.286 -2.525 331 HB ILE 70 HB ILE 70 -4.464 -11.794 -2.811 332 HG12 ILE 70 HG12 ILE 70 -5.586 -11.629 -0.009 333 HG13 ILE 70 HG11 ILE 70 -3.881 -11.408 -0.384 334 HG21 ILE 70 HG21 ILE 70 -6.578 -12.873 -3.344 335 HG22 ILE 70 HG22 ILE 70 -6.857 -11.283 -2.638 336 HG23 ILE 70 HG23 ILE 70 -7.092 -12.732 -1.662 337 HD11 ILE 70 HD11 ILE 70 -4.484 -9.513 -1.833 338 HD12 ILE 70 HD12 ILE 70 -4.954 -9.276 -0.150 339 HD13 ILE 70 HD13 ILE 70 -6.168 -9.718 -1.350 340 H ASP 71 HN ASP 71 -2.879 -13.555 -3.664 341 HA ASP 71 HA ASP 71 -0.507 -13.586 -1.921 342 HB2 ASP 71 HB2 ASP 71 -1.000 -15.413 -3.770 343 HB3 ASP 71 HB1 ASP 71 -0.347 -14.189 -4.854 344 H THR 72 HN THR 72 1.318 -12.762 -3.887 345 HA THR 72 HA THR 72 1.239 -9.997 -3.613 346 HB THR 72 HB THR 72 2.721 -11.261 -5.895 347 HG1 THR 72 HG1 THR 72 2.927 -12.647 -4.008 348 HG21 THR 72 HG21 THR 72 4.419 -9.658 -5.283 349 HG22 THR 72 HG22 THR 72 3.509 -9.196 -3.847 350 HG23 THR 72 HG23 THR 72 2.874 -8.825 -5.449 351 HA PRO 73 HA PRO 73 -0.239 -9.585 -8.236 352 HB2 PRO 73 HB2 PRO 73 -1.464 -11.820 -9.288 353 HB3 PRO 73 HB1 PRO 73 0.231 -11.386 -9.572 354 HG2 PRO 73 HG2 PRO 73 -0.907 -13.325 -7.626 355 HG3 PRO 73 HG1 PRO 73 0.524 -13.488 -8.662 356 HD2 PRO 73 HD2 PRO 73 0.772 -12.900 -6.071 357 HD3 PRO 73 HD1 PRO 73 1.839 -12.169 -7.291 358 H GLY 74 HN GLY 74 -1.847 -11.499 -5.833 359 HA2 GLY 74 HA2 GLY 74 -4.524 -10.967 -6.677 360 HA3 GLY 74 HA1 GLY 74 -4.031 -11.619 -5.123 361 H VAL 75 HN VAL 75 -2.509 -9.648 -4.032 362 HA VAL 75 HA VAL 75 -4.489 -7.812 -3.174 363 HB VAL 75 HB VAL 75 -2.607 -8.508 -1.735 364 HG11 VAL 75 HG11 VAL 75 -0.781 -8.514 -3.289 365 HG12 VAL 75 HG12 VAL 75 -0.423 -7.392 -1.977 366 HG13 VAL 75 HG13 VAL 75 -0.943 -6.777 -3.544 367 HG21 VAL 75 HG21 VAL 75 -2.164 -6.311 -0.740 368 HG22 VAL 75 HG22 VAL 75 -3.863 -6.534 -1.155 369 HG23 VAL 75 HG23 VAL 75 -2.826 -5.541 -2.180 370 H ILE 76 HN ILE 76 -1.886 -7.574 -5.520 371 HA ILE 76 HA ILE 76 -1.904 -4.823 -5.953 372 HB ILE 76 HB ILE 76 -1.345 -7.007 -7.972 373 HG12 ILE 76 HG12 ILE 76 0.667 -5.408 -6.401 374 HG13 ILE 76 HG11 ILE 76 0.007 -6.921 -5.791 375 HG21 ILE 76 HG21 ILE 76 -0.559 -4.093 -8.005 376 HG22 ILE 76 HG22 ILE 76 -1.763 -4.850 -9.047 377 HG23 ILE 76 HG23 ILE 76 -0.067 -5.311 -9.181 378 HD11 ILE 76 HD11 ILE 76 1.433 -6.636 -8.420 379 HD12 ILE 76 HD12 ILE 76 0.927 -8.130 -7.632 380 HD13 ILE 76 HD13 ILE 76 2.204 -7.146 -6.918 381 H ARG 77 HN ARG 77 -3.926 -7.360 -7.303 382 HA ARG 77 HA ARG 77 -5.219 -5.864 -9.294 383 HB2 ARG 77 HB2 ARG 77 -5.345 -8.299 -9.206 384 HB3 ARG 77 HB1 ARG 77 -6.225 -8.221 -7.690 385 HG2 ARG 77 HG2 ARG 77 -8.145 -7.303 -8.736 386 HG3 ARG 77 HG1 ARG 77 -7.269 -7.026 -10.243 387 HD2 ARG 77 HD2 ARG 77 -8.637 -8.963 -10.526 388 HD3 ARG 77 HD1 ARG 77 -6.956 -9.487 -10.439 389 HE ARG 77 HE ARG 77 -8.150 -9.580 -7.872 390 HH11 ARG 77 HH11 ARG 77 -8.620 -12.785 -10.266 391 HH12 ARG 77 HH12 ARG 77 -8.176 -11.257 -10.957 392 HH21 ARG 77 HH21 ARG 77 -8.723 -11.600 -6.966 393 HH22 ARG 77 HH22 ARG 77 -8.936 -12.975 -8.002 394 H ARG 78 HN ARG 78 -5.914 -6.291 -5.870 395 HA ARG 78 HA ARG 78 -8.424 -4.944 -5.893 396 HB2 ARG 78 HB2 ARG 78 -6.472 -5.554 -3.675 397 HB3 ARG 78 HB1 ARG 78 -8.031 -4.793 -3.406 398 HG2 ARG 78 HG2 ARG 78 -7.746 -7.456 -4.755 399 HG3 ARG 78 HG1 ARG 78 -7.907 -7.275 -3.008 400 HD2 ARG 78 HD2 ARG 78 -9.939 -5.698 -4.013 401 HD3 ARG 78 HD1 ARG 78 -9.935 -7.097 -5.087 402 HE ARG 78 HE ARG 78 -9.807 -8.192 -2.608 403 HH11 ARG 78 HH11 ARG 78 -11.970 -5.928 -4.153 404 HH12 ARG 78 HH12 ARG 78 -13.337 -6.383 -3.189 405 HH21 ARG 78 HH21 ARG 78 -13.117 -8.017 -1.567 406 HH22 ARG 78 HH22 ARG 78 -11.572 -8.784 -1.312 407 H VAL 79 HN VAL 79 -5.126 -3.960 -5.064 408 HA VAL 79 HA VAL 79 -5.699 -1.327 -4.282 409 HB VAL 79 HB VAL 79 -3.134 -2.180 -5.641 410 HG11 VAL 79 HG11 VAL 79 -2.129 -0.378 -4.597 411 HG12 VAL 79 HG12 VAL 79 -3.377 -0.263 -3.359 412 HG13 VAL 79 HG13 VAL 79 -3.718 0.273 -5.003 413 HG21 VAL 79 HG21 VAL 79 -2.298 -2.949 -3.537 414 HG22 VAL 79 HG22 VAL 79 -3.832 -3.768 -3.829 415 HG23 VAL 79 HG23 VAL 79 -3.756 -2.417 -2.700 416 H SER 80 HN SER 80 -5.038 -2.718 -7.452 417 HA SER 80 HA SER 80 -4.829 -0.286 -8.866 418 HB2 SER 80 HB2 SER 80 -5.700 -2.989 -9.902 419 HB3 SER 80 HB1 SER 80 -5.101 -1.645 -10.872 420 HG SER 80 HG SER 80 -3.655 -3.075 -8.881 421 H GLN 81 HN GLN 81 -7.557 -1.877 -7.540 422 HA GLN 81 HA GLN 81 -9.345 -0.411 -9.330 423 HB2 GLN 81 HB2 GLN 81 -9.669 -2.826 -7.615 424 HB3 GLN 81 HB1 GLN 81 -11.086 -1.849 -7.978 425 HG2 GLN 81 HG2 GLN 81 -9.240 -3.002 -10.056 426 HG3 GLN 81 HG1 GLN 81 -10.743 -3.755 -9.521 427 HE21 GLN 81 HE21 GLN 81 -9.337 -1.062 -11.247 428 HE22 GLN 81 HE22 GLN 81 -10.790 -0.564 -12.043 429 H LEU 82 HN LEU 82 -8.197 -0.470 -6.062 430 HA LEU 82 HA LEU 82 -10.342 1.224 -5.106 431 HB2 LEU 82 HB2 LEU 82 -9.270 -0.441 -3.632 432 HB3 LEU 82 HB1 LEU 82 -7.763 0.449 -3.754 433 HG LEU 82 HG LEU 82 -8.932 2.421 -2.726 434 HD11 LEU 82 HD11 LEU 82 -11.008 1.919 -1.460 435 HD12 LEU 82 HD12 LEU 82 -11.108 0.381 -2.318 436 HD13 LEU 82 HD13 LEU 82 -11.220 1.898 -3.210 437 HD21 LEU 82 HD21 LEU 82 -8.840 1.558 -0.466 438 HD22 LEU 82 HD22 LEU 82 -7.505 0.911 -1.421 439 HD23 LEU 82 HD23 LEU 82 -8.911 -0.094 -1.074 440 H PHE 83 HN PHE 83 -6.829 1.555 -5.582 441 HA PHE 83 HA PHE 83 -7.112 4.458 -5.404 442 HB2 PHE 83 HB2 PHE 83 -4.630 2.720 -5.573 443 HB3 PHE 83 HB1 PHE 83 -4.631 4.470 -5.391 444 HD1 PHE 83 HD1 PHE 83 -6.784 4.834 -3.402 445 HD2 PHE 83 HD2 PHE 83 -3.668 1.946 -3.614 446 HE1 PHE 83 HE1 PHE 83 -6.856 4.574 -0.959 447 HE2 PHE 83 HE2 PHE 83 -3.740 1.679 -1.177 448 HZ PHE 83 HZ PHE 83 -5.341 2.996 0.156 449 H HIS 84 HN HIS 84 -8.366 3.503 -7.586 450 HA HIS 84 HA HIS 84 -6.769 3.297 -9.914 451 HB2 HIS 84 HB2 HIS 84 -8.892 3.697 -11.148 452 HB3 HIS 84 HB1 HIS 84 -9.024 2.436 -9.930 453 HD2 HIS 84 HD2 HIS 84 -10.775 2.928 -7.859 454 HE1 HIS 84 HE1 HIS 84 -12.172 6.617 -9.401 455 HE2 HIS 84 HE2 HIS 84 -12.546 4.818 -7.650 456 H GLU 85 HN GLU 85 -7.917 5.988 -8.081 457 HA GLU 85 HA GLU 85 -7.334 7.889 -10.203 458 HB2 GLU 85 HB2 GLU 85 -8.545 8.086 -7.465 459 HB3 GLU 85 HB1 GLU 85 -7.932 9.534 -8.249 460 HG2 GLU 85 HG2 GLU 85 -10.006 7.690 -9.420 461 HG3 GLU 85 HG1 GLU 85 -10.359 9.189 -8.559 462 H HIS 86 HN HIS 86 -5.654 6.278 -7.806 463 HA HIS 86 HA HIS 86 -3.541 8.328 -7.799 464 HB2 HIS 86 HB2 HIS 86 -4.417 6.606 -5.474 465 HB3 HIS 86 HB1 HIS 86 -2.973 7.610 -5.473 466 HD2 HIS 86 HD2 HIS 86 -3.352 10.190 -4.759 467 HE1 HIS 86 HE1 HIS 86 -7.583 10.090 -4.681 468 HE2 HIS 86 HE2 HIS 86 -5.522 11.475 -4.143 469 HA PRO 87 HA PRO 87 -2.013 4.203 -9.425 470 HB2 PRO 87 HB2 PRO 87 -0.406 5.402 -11.328 471 HB3 PRO 87 HB1 PRO 87 -2.074 4.868 -11.614 472 HG2 PRO 87 HG2 PRO 87 -1.036 7.594 -11.020 473 HG3 PRO 87 HG1 PRO 87 -2.301 7.087 -12.161 474 HD2 PRO 87 HD2 PRO 87 -2.902 8.180 -9.785 475 HD3 PRO 87 HD1 PRO 87 -3.898 6.902 -10.506 476 H ASP 88 HN ASP 88 -0.480 7.194 -8.496 477 HA ASP 88 HA ASP 88 2.196 6.462 -8.395 478 HB2 ASP 88 HB2 ASP 88 0.516 8.510 -7.093 479 HB3 ASP 88 HB1 ASP 88 2.029 8.139 -6.275 480 H LEU 89 HN LEU 89 -0.372 5.918 -6.035 481 HA LEU 89 HA LEU 89 1.294 5.059 -3.924 482 HB2 LEU 89 HB2 LEU 89 -1.583 4.406 -4.539 483 HB3 LEU 89 HB1 LEU 89 -0.786 4.021 -3.026 484 HG LEU 89 HG LEU 89 -1.242 6.807 -4.104 485 HD11 LEU 89 HD11 LEU 89 -2.763 6.967 -2.116 486 HD12 LEU 89 HD12 LEU 89 -2.620 5.217 -1.958 487 HD13 LEU 89 HD13 LEU 89 -3.332 5.916 -3.412 488 HD21 LEU 89 HD21 LEU 89 -0.040 5.833 -1.522 489 HD22 LEU 89 HD22 LEU 89 -0.517 7.500 -1.835 490 HD23 LEU 89 HD23 LEU 89 0.767 6.757 -2.788 491 H ILE 90 HN ILE 90 -0.338 3.314 -6.518 492 HA ILE 90 HA ILE 90 0.426 0.718 -5.586 493 HB ILE 90 HB ILE 90 -0.253 1.250 -8.454 494 HG12 ILE 90 HG12 ILE 90 -2.309 1.131 -6.239 495 HG13 ILE 90 HG11 ILE 90 -1.800 2.626 -7.011 496 HG21 ILE 90 HG21 ILE 90 -1.498 -0.886 -8.149 497 HG22 ILE 90 HG22 ILE 90 -0.884 -0.956 -6.497 498 HG23 ILE 90 HG23 ILE 90 0.236 -1.021 -7.859 499 HD11 ILE 90 HD11 ILE 90 -3.943 1.656 -7.844 500 HD12 ILE 90 HD12 ILE 90 -3.000 0.325 -8.518 501 HD13 ILE 90 HD13 ILE 90 -2.730 1.973 -9.082 502 H VAL 91 HN VAL 91 1.661 2.968 -8.012 503 HA VAL 91 HA VAL 91 3.672 1.257 -9.052 504 HB VAL 91 HB VAL 91 3.483 4.274 -9.076 505 HG11 VAL 91 HG11 VAL 91 5.805 3.518 -9.363 506 HG12 VAL 91 HG12 VAL 91 5.160 4.247 -10.836 507 HG13 VAL 91 HG13 VAL 91 5.291 2.493 -10.704 508 HG21 VAL 91 HG21 VAL 91 2.503 2.101 -10.867 509 HG22 VAL 91 HG22 VAL 91 3.001 3.632 -11.584 510 HG23 VAL 91 HG23 VAL 91 1.713 3.601 -10.379 511 H GLY 92 HN GLY 92 3.765 3.867 -6.636 512 HA2 GLY 92 HA2 GLY 92 6.515 3.713 -6.082 513 HA3 GLY 92 HA1 GLY 92 5.291 4.359 -4.999 514 H PHE 93 HN PHE 93 3.820 1.824 -4.891 515 HA PHE 93 HA PHE 93 5.093 0.672 -2.662 516 HB2 PHE 93 HB2 PHE 93 2.675 0.571 -2.969 517 HB3 PHE 93 HB1 PHE 93 2.875 -0.428 -4.404 518 HD1 PHE 93 HD1 PHE 93 3.990 -0.443 -0.834 519 HD2 PHE 93 HD2 PHE 93 2.481 -2.664 -4.135 520 HE1 PHE 93 HE1 PHE 93 3.925 -2.470 0.556 521 HE2 PHE 93 HE2 PHE 93 2.414 -4.690 -2.746 522 HZ PHE 93 HZ PHE 93 3.138 -4.590 -0.398 523 H ASN 94 HN ASN 94 5.376 0.041 -6.054 524 HA ASN 94 HA ASN 94 6.323 -2.622 -5.951 525 HB2 ASN 94 HB2 ASN 94 6.215 -0.473 -7.948 526 HB3 ASN 94 HB1 ASN 94 7.600 -1.542 -8.138 527 HD21 ASN 94 HD21 ASN 94 4.149 -1.270 -8.240 528 HD22 ASN 94 HD22 ASN 94 3.846 -2.806 -8.971 529 H ALA 95 HN ALA 95 7.868 0.485 -5.513 530 HA ALA 95 HA ALA 95 10.488 -0.797 -5.284 531 HB1 ALA 95 HB1 ALA 95 9.930 2.143 -5.009 532 HB2 ALA 95 HB2 ALA 95 10.125 1.364 -6.578 533 HB3 ALA 95 HB3 ALA 95 11.450 1.346 -5.414 534 H PHE 96 HN PHE 96 7.885 0.248 -3.384 535 HA PHE 96 HA PHE 96 9.472 0.654 -0.985 536 HB2 PHE 96 HB2 PHE 96 6.843 1.423 -1.869 537 HB3 PHE 96 HB1 PHE 96 6.730 0.589 -0.321 538 HD1 PHE 96 HD1 PHE 96 9.321 2.881 -1.711 539 HD2 PHE 96 HD2 PHE 96 6.411 2.182 1.312 540 HE1 PHE 96 HE1 PHE 96 10.018 4.942 -0.569 541 HE2 PHE 96 HE2 PHE 96 7.101 4.242 2.457 542 HZ PHE 96 HZ PHE 96 8.910 5.623 1.519 543 H LEU 97 HN LEU 97 9.496 -1.903 -2.287 544 HA LEU 97 HA LEU 97 8.364 -3.564 -0.144 545 HB2 LEU 97 HB2 LEU 97 8.397 -3.931 -3.095 546 HB3 LEU 97 HB1 LEU 97 8.679 -5.362 -2.122 547 HG LEU 97 HG LEU 97 6.269 -3.577 -1.814 548 HD11 LEU 97 HD11 LEU 97 6.461 -4.682 -4.066 549 HD12 LEU 97 HD12 LEU 97 5.027 -5.105 -3.131 550 HD13 LEU 97 HD13 LEU 97 6.382 -6.230 -3.225 551 HD21 LEU 97 HD21 LEU 97 5.370 -5.678 -0.725 552 HD22 LEU 97 HD22 LEU 97 6.610 -4.807 0.179 553 HD23 LEU 97 HD23 LEU 97 7.031 -6.272 -0.710 554 HA PRO 98 HA PRO 98 12.818 -4.046 0.490 555 HB2 PRO 98 HB2 PRO 98 12.470 -5.791 2.627 556 HB3 PRO 98 HB1 PRO 98 12.574 -4.030 2.758 557 HG2 PRO 98 HG2 PRO 98 10.196 -5.780 2.812 558 HG3 PRO 98 HG1 PRO 98 10.503 -4.255 3.661 559 HD2 PRO 98 HD2 PRO 98 8.888 -4.414 1.502 560 HD3 PRO 98 HD1 PRO 98 9.840 -2.966 1.884 561 H SER 99 HN SER 99 10.596 -6.810 0.817 562 HA SER 99 HA SER 99 12.503 -8.754 0.054 563 HB2 SER 99 HB2 SER 99 9.644 -9.323 -0.459 564 HB3 SER 99 HB1 SER 99 10.823 -10.241 0.477 565 HG SER 99 HG SER 99 10.586 -8.705 2.158 566 H GLY 100 HN GLY 100 13.361 -9.027 -1.911 567 HA2 GLY 100 HA2 GLY 100 11.732 -9.124 -4.261 568 HA3 GLY 100 HA1 GLY 100 12.701 -7.662 -4.202 569 HA PRO 101 HA PRO 101 15.531 -10.573 -6.182 570 HB2 PRO 101 HB2 PRO 101 16.827 -8.763 -7.685 571 HB3 PRO 101 HB1 PRO 101 15.192 -9.315 -8.099 572 HG2 PRO 101 HG2 PRO 101 16.063 -6.783 -6.832 573 HG3 PRO 101 HG1 PRO 101 14.773 -7.078 -8.007 574 HD2 PRO 101 HD2 PRO 101 14.394 -6.769 -5.287 575 HD3 PRO 101 HD1 PRO 101 13.246 -7.534 -6.403 576 H SER 102 HN SER 102 15.973 -8.677 -3.632 577 HA SER 102 HA SER 102 18.785 -8.181 -3.705 578 HB2 SER 102 HB2 SER 102 17.128 -8.409 -1.192 579 HB3 SER 102 HB1 SER 102 18.528 -7.380 -1.498 580 HG SER 102 HG SER 102 17.283 -6.115 -2.857 581 H SER 103 HN SER 103 20.302 -9.180 -2.126 582 HA SER 103 HA SER 103 20.266 -12.025 -2.414 583 HB2 SER 103 HB2 SER 103 22.148 -10.334 -0.746 584 HB3 SER 103 HB1 SER 103 22.434 -11.973 -1.332 585 HG SER 103 HG SER 103 21.825 -10.029 -3.229 586 H GLY 104 HN GLY 104 18.821 -13.132 -1.251 587 HA2 GLY 104 HA2 GLY 104 19.102 -13.795 1.364 588 HA3 GLY 104 HA1 GLY 104 18.098 -12.354 1.434 Start of MODEL 2 1 H1 GLY 25 HN GLY 25 14.345 23.288 -4.149 2 HA2 GLY 25 HA2 GLY 25 16.742 23.288 -5.432 3 HA3 GLY 25 HA1 GLY 25 17.079 22.441 -3.930 4 H SER 26 HN SER 26 16.069 20.443 -3.523 5 HA SER 26 HA SER 26 14.602 19.244 -5.759 6 HB2 SER 26 HB2 SER 26 16.905 17.828 -4.409 7 HB3 SER 26 HB1 SER 26 16.027 17.326 -5.853 8 HG SER 26 HG SER 26 16.866 19.600 -6.555 9 H SER 27 HN SER 27 12.911 18.072 -5.085 10 HA SER 27 HA SER 27 12.507 17.734 -2.230 11 HB2 SER 27 HB2 SER 27 10.628 16.945 -4.450 12 HB3 SER 27 HB1 SER 27 10.231 17.299 -2.768 13 HG SER 27 HG SER 27 11.098 19.479 -3.277 14 H GLY 28 HN GLY 28 13.544 16.013 -1.403 15 HA2 GLY 28 HA2 GLY 28 12.702 13.388 -1.996 16 HA3 GLY 28 HA1 GLY 28 14.263 13.679 -2.751 17 H SER 29 HN SER 29 14.044 11.727 -0.874 18 HA SER 29 HA SER 29 15.841 12.727 1.156 19 HB2 SER 29 HB2 SER 29 13.219 11.411 1.927 20 HB3 SER 29 HB1 SER 29 14.548 11.740 3.037 21 HG SER 29 HG SER 29 13.915 13.964 1.652 22 H SER 30 HN SER 30 17.405 11.419 0.317 23 HA SER 30 HA SER 30 16.906 8.572 0.014 24 HB2 SER 30 HB2 SER 30 19.616 9.813 -0.309 25 HB3 SER 30 HB1 SER 30 18.880 8.486 -1.205 26 HG SER 30 HG SER 30 18.207 11.244 -1.398 27 H GLY 31 HN GLY 31 17.015 7.332 1.771 28 HA2 GLY 31 HA2 GLY 31 19.137 6.734 3.306 29 HA3 GLY 31 HA1 GLY 31 18.535 8.187 4.090 30 H VAL 32 HN VAL 32 17.527 4.982 2.986 31 HA VAL 32 HA VAL 32 15.214 5.021 4.731 32 HB VAL 32 HB VAL 32 14.802 2.738 3.876 33 HG11 VAL 32 HG11 VAL 32 14.443 3.409 1.486 34 HG12 VAL 32 HG12 VAL 32 15.300 4.905 1.854 35 HG13 VAL 32 HG13 VAL 32 13.793 4.528 2.685 36 HG21 VAL 32 HG21 VAL 32 17.323 3.211 2.288 37 HG22 VAL 32 HG22 VAL 32 16.192 1.884 2.021 38 HG23 VAL 32 HG23 VAL 32 17.082 1.990 3.540 39 H HIS 33 HN HIS 33 14.828 3.419 6.336 40 HA HIS 33 HA HIS 33 17.299 2.484 7.635 41 HB2 HIS 33 HB2 HIS 33 14.660 3.406 8.773 42 HB3 HIS 33 HB1 HIS 33 15.787 2.437 9.716 43 HD2 HIS 33 HD2 HIS 33 16.846 5.468 7.441 44 HE1 HIS 33 HE1 HIS 33 17.719 6.315 11.497 45 HE2 HIS 33 HE2 HIS 33 17.954 7.124 9.108 46 H VAL 34 HN VAL 34 16.512 0.581 9.296 47 HA VAL 34 HA VAL 34 15.908 -1.590 7.575 48 HB VAL 34 HB VAL 34 15.654 -2.870 9.811 49 HG11 VAL 34 HG11 VAL 34 17.614 -2.993 8.375 50 HG12 VAL 34 HG12 VAL 34 18.089 -2.968 10.074 51 HG13 VAL 34 HG13 VAL 34 18.250 -1.511 9.089 52 HG21 VAL 34 HG21 VAL 34 17.023 -0.418 10.904 53 HG22 VAL 34 HG22 VAL 34 16.462 -1.841 11.783 54 HG23 VAL 34 HG23 VAL 34 15.296 -0.709 11.101 55 H GLU 35 HN GLU 35 13.956 0.279 9.824 56 HA GLU 35 HA GLU 35 11.615 -1.313 9.016 57 HB2 GLU 35 HB2 GLU 35 12.497 -1.014 11.544 58 HB3 GLU 35 HB1 GLU 35 11.463 0.404 11.433 59 HG2 GLU 35 HG2 GLU 35 9.564 -0.820 11.338 60 HG3 GLU 35 HG1 GLU 35 10.336 -2.168 10.501 61 H ASP 36 HN ASP 36 10.654 -0.218 7.385 62 HA ASP 36 HA ASP 36 9.960 2.575 7.902 63 HB2 ASP 36 HB2 ASP 36 10.840 3.424 5.944 64 HB3 ASP 36 HB1 ASP 36 12.060 2.243 6.397 65 H ALA 37 HN ALA 37 8.789 -0.382 7.263 66 HA ALA 37 HA ALA 37 6.982 0.014 5.130 67 HB1 ALA 37 HB1 ALA 37 7.557 -2.201 6.111 68 HB2 ALA 37 HB2 ALA 37 5.826 -1.937 5.914 69 HB3 ALA 37 HB3 ALA 37 6.562 -1.791 7.507 70 H LEU 38 HN LEU 38 6.763 0.664 8.565 71 HA LEU 38 HA LEU 38 4.034 1.323 8.682 72 HB2 LEU 38 HB2 LEU 38 4.853 2.695 10.738 73 HB3 LEU 38 HB1 LEU 38 4.934 0.947 10.765 74 HG LEU 38 HG LEU 38 7.397 1.390 9.881 75 HD11 LEU 38 HD11 LEU 38 7.009 3.850 9.789 76 HD12 LEU 38 HD12 LEU 38 8.397 3.358 10.758 77 HD13 LEU 38 HD13 LEU 38 6.895 3.838 11.550 78 HD21 LEU 38 HD21 LEU 38 6.899 0.155 11.871 79 HD22 LEU 38 HD22 LEU 38 6.466 1.630 12.734 80 HD23 LEU 38 HD23 LEU 38 8.138 1.353 12.247 81 H THR 39 HN THR 39 6.757 3.090 7.503 82 HA THR 39 HA THR 39 5.736 5.710 7.792 83 HB THR 39 HB THR 39 7.650 4.892 5.621 84 HG1 THR 39 HG1 THR 39 9.257 5.216 7.407 85 HG21 THR 39 HG21 THR 39 7.714 7.290 7.447 86 HG22 THR 39 HG22 THR 39 6.821 7.279 5.928 87 HG23 THR 39 HG23 THR 39 8.570 7.058 5.922 88 H TYR 40 HN TYR 40 5.738 3.425 5.045 89 HA TYR 40 HA TYR 40 4.350 5.185 3.305 90 HB2 TYR 40 HB2 TYR 40 5.713 3.178 2.579 91 HB3 TYR 40 HB1 TYR 40 4.376 2.167 3.119 92 HD1 TYR 40 HD1 TYR 40 3.063 1.382 1.392 93 HD2 TYR 40 HD2 TYR 40 4.711 5.292 1.088 94 HE1 TYR 40 HE1 TYR 40 1.962 1.673 -0.791 95 HE2 TYR 40 HE2 TYR 40 3.615 5.592 -1.086 96 HH TYR 40 HH TYR 40 1.233 3.428 -2.271 97 H LEU 41 HN LEU 41 3.345 2.708 5.580 98 HA LEU 41 HA LEU 41 0.622 2.608 4.854 99 HB2 LEU 41 HB2 LEU 41 2.065 1.982 7.424 100 HB3 LEU 41 HB1 LEU 41 0.338 1.743 7.237 101 HG LEU 41 HG LEU 41 2.353 0.442 5.419 102 HD11 LEU 41 HD11 LEU 41 2.115 -1.569 6.776 103 HD12 LEU 41 HD12 LEU 41 1.138 -0.676 7.943 104 HD13 LEU 41 HD13 LEU 41 2.835 -0.252 7.702 105 HD21 LEU 41 HD21 LEU 41 0.008 0.610 4.646 106 HD22 LEU 41 HD22 LEU 41 -0.498 -0.275 6.086 107 HD23 LEU 41 HD23 LEU 41 0.540 -1.055 4.890 108 H ASP 42 HN ASP 42 2.471 4.794 6.810 109 HA ASP 42 HA ASP 42 0.224 6.052 8.066 110 HB2 ASP 42 HB2 ASP 42 2.636 6.011 8.923 111 HB3 ASP 42 HB1 ASP 42 2.969 7.251 7.721 112 H GLN 43 HN GLN 43 2.233 6.648 5.250 113 HA GLN 43 HA GLN 43 1.356 9.216 4.571 114 HB2 GLN 43 HB2 GLN 43 2.377 6.932 2.900 115 HB3 GLN 43 HB1 GLN 43 2.002 8.506 2.209 116 HG2 GLN 43 HG2 GLN 43 3.853 8.297 4.542 117 HG3 GLN 43 HG1 GLN 43 4.428 7.942 2.912 118 HE21 GLN 43 HE21 GLN 43 5.812 9.710 2.907 119 HE22 GLN 43 HE22 GLN 43 5.231 11.333 2.762 120 H VAL 44 HN VAL 44 -0.029 6.060 3.907 121 HA VAL 44 HA VAL 44 -1.960 6.823 2.013 122 HB VAL 44 HB VAL 44 -2.164 4.610 4.067 123 HG11 VAL 44 HG11 VAL 44 -3.538 4.904 1.391 124 HG12 VAL 44 HG12 VAL 44 -4.298 5.162 2.962 125 HG13 VAL 44 HG13 VAL 44 -3.712 3.558 2.523 126 HG21 VAL 44 HG21 VAL 44 -1.060 4.530 1.254 127 HG22 VAL 44 HG22 VAL 44 -1.231 3.155 2.349 128 HG23 VAL 44 HG23 VAL 44 -0.108 4.455 2.741 129 H LYS 45 HN LYS 45 -2.054 6.786 5.550 130 HA LYS 45 HA LYS 45 -4.815 7.482 5.727 131 HB2 LYS 45 HB2 LYS 45 -4.566 7.225 7.965 132 HB3 LYS 45 HB1 LYS 45 -3.067 6.447 7.492 133 HG2 LYS 45 HG2 LYS 45 -1.887 8.569 7.865 134 HG3 LYS 45 HG1 LYS 45 -3.400 9.286 8.425 135 HD2 LYS 45 HD2 LYS 45 -3.482 7.359 10.098 136 HD3 LYS 45 HD1 LYS 45 -1.795 7.076 9.674 137 HE2 LYS 45 HE2 LYS 45 -2.890 9.693 10.697 138 HE3 LYS 45 HE1 LYS 45 -2.099 8.483 11.703 139 HZ1 LYS 45 HZ1 LYS 45 -0.532 10.162 11.099 140 HZ2 LYS 45 HZ2 LYS 45 -0.880 9.982 9.459 141 HZ3 LYS 45 HZ3 LYS 45 -0.110 8.727 10.298 142 H ILE 46 HN ILE 46 -1.911 9.300 5.265 143 HA ILE 46 HA ILE 46 -3.012 11.812 6.131 144 HB ILE 46 HB ILE 46 -0.571 11.247 4.433 145 HG12 ILE 46 HG12 ILE 46 -0.723 11.922 7.375 146 HG13 ILE 46 HG11 ILE 46 -0.515 10.292 6.745 147 HG21 ILE 46 HG21 ILE 46 -1.397 13.502 4.101 148 HG22 ILE 46 HG22 ILE 46 0.123 13.529 4.997 149 HG23 ILE 46 HG23 ILE 46 -1.407 13.778 5.842 150 HD11 ILE 46 HD11 ILE 46 1.635 10.706 6.018 151 HD12 ILE 46 HD12 ILE 46 1.549 11.627 7.519 152 HD13 ILE 46 HD13 ILE 46 1.393 12.450 5.968 153 H ARG 47 HN ARG 47 -2.284 10.293 3.005 154 HA ARG 47 HA ARG 47 -3.237 12.386 1.394 155 HB2 ARG 47 HB2 ARG 47 -2.573 9.521 0.965 156 HB3 ARG 47 HB1 ARG 47 -3.551 10.318 -0.259 157 HG2 ARG 47 HG2 ARG 47 -0.933 11.426 0.706 158 HG3 ARG 47 HG1 ARG 47 -1.070 10.314 -0.658 159 HD2 ARG 47 HD2 ARG 47 -2.521 11.881 -1.812 160 HD3 ARG 47 HD1 ARG 47 -2.460 12.983 -0.436 161 HE ARG 47 HE ARG 47 0.141 12.692 -1.084 162 HH11 ARG 47 HH11 ARG 47 -1.819 14.513 -4.086 163 HH12 ARG 47 HH12 ARG 47 -2.703 13.541 -2.951 164 HH21 ARG 47 HH21 ARG 47 1.297 13.984 -2.553 165 HH22 ARG 47 HH22 ARG 47 0.462 14.762 -3.859 166 H PHE 48 HN PHE 48 -4.828 9.516 2.707 167 HA PHE 48 HA PHE 48 -7.370 10.432 1.563 168 HB2 PHE 48 HB2 PHE 48 -6.533 7.754 2.696 169 HB3 PHE 48 HB1 PHE 48 -8.189 8.138 2.234 170 HD1 PHE 48 HD1 PHE 48 -8.674 8.702 -0.155 171 HD2 PHE 48 HD2 PHE 48 -4.946 7.110 1.117 172 HE1 PHE 48 HE1 PHE 48 -8.171 8.043 -2.463 173 HE2 PHE 48 HE2 PHE 48 -4.433 6.445 -1.192 174 HZ PHE 48 HZ PHE 48 -6.048 6.913 -2.988 175 H GLY 49 HN GLY 49 -6.304 11.866 3.712 176 HA2 GLY 49 HA2 GLY 49 -7.353 10.995 6.214 177 HA3 GLY 49 HA1 GLY 49 -6.791 12.615 5.837 178 H SER 50 HN SER 50 -8.662 12.837 3.561 179 HA SER 50 HA SER 50 -10.902 13.801 5.094 180 HB2 SER 50 HB2 SER 50 -10.593 13.859 2.085 181 HB3 SER 50 HB1 SER 50 -11.610 14.897 3.084 182 HG SER 50 HG SER 50 -8.882 15.013 2.583 183 H ASP 51 HN ASP 51 -10.215 11.105 2.958 184 HA ASP 51 HA ASP 51 -13.029 10.272 3.236 185 HB2 ASP 51 HB2 ASP 51 -12.354 10.600 0.885 186 HB3 ASP 51 HB1 ASP 51 -11.049 9.432 1.109 187 HA PRO 52 HA PRO 52 -10.967 7.137 5.727 188 HB2 PRO 52 HB2 PRO 52 -13.105 6.508 7.244 189 HB3 PRO 52 HB1 PRO 52 -12.179 7.995 7.500 190 HG2 PRO 52 HG2 PRO 52 -14.814 7.633 6.206 191 HG3 PRO 52 HG1 PRO 52 -14.210 8.966 7.207 192 HD2 PRO 52 HD2 PRO 52 -14.356 8.977 4.429 193 HD3 PRO 52 HD1 PRO 52 -13.374 10.069 5.422 194 H ALA 53 HN ALA 53 -13.517 6.905 3.508 195 HA ALA 53 HA ALA 53 -14.207 4.171 3.842 196 HB1 ALA 53 HB1 ALA 53 -15.744 5.608 2.695 197 HB2 ALA 53 HB2 ALA 53 -15.184 4.380 1.560 198 HB3 ALA 53 HB3 ALA 53 -14.531 6.015 1.480 199 H THR 54 HN THR 54 -12.040 5.852 1.569 200 HA THR 54 HA THR 54 -11.103 3.504 0.294 201 HB THR 54 HB THR 54 -9.475 6.025 0.549 202 HG1 THR 54 HG1 THR 54 -11.617 6.651 0.005 203 HG21 THR 54 HG21 THR 54 -8.656 5.443 -1.617 204 HG22 THR 54 HG22 THR 54 -9.894 4.201 -1.821 205 HG23 THR 54 HG23 THR 54 -8.599 3.971 -0.644 206 H TYR 55 HN TYR 55 -10.122 5.211 3.187 207 HA TYR 55 HA TYR 55 -7.632 3.836 3.516 208 HB2 TYR 55 HB2 TYR 55 -8.040 6.024 4.573 209 HB3 TYR 55 HB1 TYR 55 -9.319 5.319 5.556 210 HD1 TYR 55 HD1 TYR 55 -5.694 4.830 4.795 211 HD2 TYR 55 HD2 TYR 55 -8.792 4.632 7.706 212 HE1 TYR 55 HE1 TYR 55 -4.032 4.247 6.516 213 HE2 TYR 55 HE2 TYR 55 -7.139 4.051 9.430 214 HH TYR 55 HH TYR 55 -4.855 3.008 9.517 215 H ASN 56 HN ASN 56 -10.899 3.449 4.831 216 HA ASN 56 HA ASN 56 -10.314 1.300 6.553 217 HB2 ASN 56 HB2 ASN 56 -12.371 2.708 6.648 218 HB3 ASN 56 HB1 ASN 56 -12.949 1.902 5.194 219 HD21 ASN 56 HD21 ASN 56 -14.743 1.117 6.279 220 HD22 ASN 56 HD22 ASN 56 -14.640 -0.189 7.402 221 H GLY 57 HN GLY 57 -11.243 1.471 3.168 222 HA2 GLY 57 HA2 GLY 57 -11.632 -1.310 2.778 223 HA3 GLY 57 HA1 GLY 57 -11.327 -0.123 1.516 224 H PHE 58 HN PHE 58 -8.831 0.724 2.868 225 HA PHE 58 HA PHE 58 -7.029 -1.012 1.533 226 HB2 PHE 58 HB2 PHE 58 -6.616 1.416 1.930 227 HB3 PHE 58 HB1 PHE 58 -6.434 1.078 3.646 228 HD1 PHE 58 HD1 PHE 58 -4.384 0.339 4.530 229 HD2 PHE 58 HD2 PHE 58 -4.971 0.413 0.313 230 HE1 PHE 58 HE1 PHE 58 -1.995 -0.128 4.188 231 HE2 PHE 58 HE2 PHE 58 -2.585 -0.053 -0.033 232 HZ PHE 58 HZ PHE 58 -1.088 -0.321 1.910 233 H LEU 59 HN LEU 59 -8.097 -0.649 4.854 234 HA LEU 59 HA LEU 59 -6.208 -2.381 6.045 235 HB2 LEU 59 HB2 LEU 59 -9.009 -1.698 6.951 236 HB3 LEU 59 HB1 LEU 59 -7.782 -2.463 7.943 237 HG LEU 59 HG LEU 59 -7.483 0.296 6.759 238 HD11 LEU 59 HD11 LEU 59 -9.321 0.467 8.230 239 HD12 LEU 59 HD12 LEU 59 -7.918 1.017 9.148 240 HD13 LEU 59 HD13 LEU 59 -8.568 -0.599 9.415 241 HD21 LEU 59 HD21 LEU 59 -5.423 -0.995 7.396 242 HD22 LEU 59 HD22 LEU 59 -6.019 -0.990 9.055 243 HD23 LEU 59 HD23 LEU 59 -5.645 0.531 8.248 244 H GLU 60 HN GLU 60 -9.353 -2.898 4.569 245 HA GLU 60 HA GLU 60 -9.705 -5.589 5.374 246 HB2 GLU 60 HB2 GLU 60 -10.828 -4.080 2.998 247 HB3 GLU 60 HB1 GLU 60 -11.343 -5.694 3.483 248 HG2 GLU 60 HG2 GLU 60 -11.609 -3.157 5.092 249 HG3 GLU 60 HG1 GLU 60 -12.903 -4.046 4.287 250 H ILE 61 HN ILE 61 -7.991 -4.080 2.730 251 HA ILE 61 HA ILE 61 -7.638 -6.362 1.104 252 HB ILE 61 HB ILE 61 -5.947 -3.873 1.380 253 HG12 ILE 61 HG12 ILE 61 -8.013 -4.685 -0.680 254 HG13 ILE 61 HG11 ILE 61 -8.249 -3.498 0.595 255 HG21 ILE 61 HG21 ILE 61 -5.097 -4.536 -0.903 256 HG22 ILE 61 HG22 ILE 61 -5.782 -6.132 -0.602 257 HG23 ILE 61 HG23 ILE 61 -4.506 -5.510 0.445 258 HD11 ILE 61 HD11 ILE 61 -6.213 -3.253 -1.597 259 HD12 ILE 61 HD12 ILE 61 -6.627 -2.034 -0.389 260 HD13 ILE 61 HD13 ILE 61 -7.809 -2.504 -1.614 261 H MET 62 HN MET 62 -5.707 -4.960 3.710 262 HA MET 62 HA MET 62 -3.538 -6.766 3.504 263 HB2 MET 62 HB2 MET 62 -4.485 -5.233 5.929 264 HB3 MET 62 HB1 MET 62 -2.900 -5.972 5.732 265 HG2 MET 62 HG2 MET 62 -2.586 -4.468 3.739 266 HG3 MET 62 HG1 MET 62 -4.049 -3.626 4.246 267 HE1 MET 62 HE1 MET 62 0.037 -3.599 6.347 268 HE2 MET 62 HE2 MET 62 -0.294 -4.153 4.710 269 HE3 MET 62 HE3 MET 62 -0.836 -5.112 6.088 270 H LYS 63 HN LYS 63 -6.608 -6.891 5.174 271 HA LYS 63 HA LYS 63 -6.059 -9.031 6.905 272 HB2 LYS 63 HB2 LYS 63 -8.654 -8.116 5.678 273 HB3 LYS 63 HB1 LYS 63 -8.544 -9.367 6.913 274 HG2 LYS 63 HG2 LYS 63 -7.526 -7.759 8.440 275 HG3 LYS 63 HG1 LYS 63 -7.641 -6.508 7.206 276 HD2 LYS 63 HD2 LYS 63 -10.098 -6.795 7.203 277 HD3 LYS 63 HD1 LYS 63 -9.931 -7.956 8.521 278 HE2 LYS 63 HE2 LYS 63 -9.003 -6.262 9.959 279 HE3 LYS 63 HE1 LYS 63 -8.971 -5.100 8.634 280 HZ1 LYS 63 HZ1 LYS 63 -11.367 -5.135 8.557 281 HZ2 LYS 63 HZ2 LYS 63 -10.848 -4.756 10.125 282 HZ3 LYS 63 HZ3 LYS 63 -11.427 -6.306 9.784 283 H GLU 64 HN GLU 64 -7.042 -8.947 3.538 284 HA GLU 64 HA GLU 64 -7.685 -11.697 3.309 285 HB2 GLU 64 HB2 GLU 64 -6.831 -9.719 1.187 286 HB3 GLU 64 HB1 GLU 64 -7.495 -11.314 0.862 287 HG2 GLU 64 HG2 GLU 64 -9.527 -10.583 2.165 288 HG3 GLU 64 HG1 GLU 64 -8.862 -8.952 2.097 289 H PHE 65 HN PHE 65 -4.716 -9.886 3.102 290 HA PHE 65 HA PHE 65 -3.205 -12.100 2.036 291 HB2 PHE 65 HB2 PHE 65 -2.620 -9.725 1.542 292 HB3 PHE 65 HB1 PHE 65 -2.176 -9.520 3.234 293 HD1 PHE 65 HD1 PHE 65 0.074 -9.420 3.526 294 HD2 PHE 65 HD2 PHE 65 -1.477 -12.123 0.630 295 HE1 PHE 65 HE1 PHE 65 2.356 -10.200 3.041 296 HE2 PHE 65 HE2 PHE 65 0.803 -12.902 0.140 297 HZ PHE 65 HZ PHE 65 2.720 -11.945 1.353 298 H LYS 66 HN LYS 66 -3.951 -10.765 5.168 299 HA LYS 66 HA LYS 66 -1.933 -11.941 6.714 300 HB2 LYS 66 HB2 LYS 66 -4.795 -11.268 7.387 301 HB3 LYS 66 HB1 LYS 66 -3.632 -11.824 8.581 302 HG2 LYS 66 HG2 LYS 66 -2.248 -9.879 8.186 303 HG3 LYS 66 HG1 LYS 66 -3.335 -9.344 6.902 304 HD2 LYS 66 HD2 LYS 66 -4.092 -8.075 8.665 305 HD3 LYS 66 HD1 LYS 66 -5.143 -9.483 8.788 306 HE2 LYS 66 HE2 LYS 66 -4.457 -9.169 10.972 307 HE3 LYS 66 HE1 LYS 66 -3.342 -10.406 10.390 308 HZ1 LYS 66 HZ1 LYS 66 -1.741 -8.590 9.927 309 HZ2 LYS 66 HZ2 LYS 66 -2.107 -8.761 11.567 310 HZ3 LYS 66 HZ3 LYS 66 -2.797 -7.501 10.674 311 H SER 67 HN SER 67 -5.050 -13.232 5.647 312 HA SER 67 HA SER 67 -4.551 -15.766 6.968 313 HB2 SER 67 HB2 SER 67 -6.828 -15.173 5.086 314 HB3 SER 67 HB1 SER 67 -6.775 -16.318 6.428 315 HG SER 67 HG SER 67 -6.526 -14.403 7.804 316 H GLN 68 HN GLN 68 -3.223 -14.484 4.396 317 HA GLN 68 HA GLN 68 -2.215 -15.195 2.497 318 HB2 GLN 68 HB2 GLN 68 -2.609 -17.898 3.795 319 HB3 GLN 68 HB1 GLN 68 -1.583 -17.605 2.401 320 HG2 GLN 68 HG2 GLN 68 -0.161 -16.150 3.713 321 HG3 GLN 68 HG1 GLN 68 -1.225 -16.348 5.105 322 HE21 GLN 68 HE21 GLN 68 -1.252 -18.300 6.212 323 HE22 GLN 68 HE22 GLN 68 0.021 -19.462 6.053 324 H SER 69 HN SER 69 -5.101 -14.882 2.507 325 HA SER 69 HA SER 69 -6.199 -16.964 0.879 326 HB2 SER 69 HB2 SER 69 -7.333 -14.194 1.292 327 HB3 SER 69 HB1 SER 69 -8.205 -15.671 0.881 328 HG SER 69 HG SER 69 -7.408 -16.466 2.987 329 H ILE 70 HN ILE 70 -4.481 -14.032 0.332 330 HA ILE 70 HA ILE 70 -4.844 -14.391 -2.569 331 HB ILE 70 HB ILE 70 -4.495 -11.960 -2.866 332 HG12 ILE 70 HG12 ILE 70 -4.953 -11.702 0.112 333 HG13 ILE 70 HG11 ILE 70 -3.345 -11.681 -0.608 334 HG21 ILE 70 HG21 ILE 70 -6.758 -12.970 -2.777 335 HG22 ILE 70 HG22 ILE 70 -6.715 -11.273 -2.301 336 HG23 ILE 70 HG23 ILE 70 -6.844 -12.530 -1.070 337 HD11 ILE 70 HD11 ILE 70 -3.873 -9.687 -1.841 338 HD12 ILE 70 HD12 ILE 70 -4.259 -9.435 -0.139 339 HD13 ILE 70 HD13 ILE 70 -5.549 -9.750 -1.298 340 H ASP 71 HN ASP 71 -3.015 -13.546 -3.838 341 HA ASP 71 HA ASP 71 -0.474 -13.947 -2.403 342 HB2 ASP 71 HB2 ASP 71 -1.308 -14.598 -5.226 343 HB3 ASP 71 HB1 ASP 71 0.387 -14.495 -4.767 344 H THR 72 HN THR 72 1.329 -12.981 -4.147 345 HA THR 72 HA THR 72 1.322 -10.245 -3.745 346 HB THR 72 HB THR 72 2.786 -11.483 -6.058 347 HG1 THR 72 HG1 THR 72 4.352 -12.141 -4.456 348 HG21 THR 72 HG21 THR 72 4.578 -9.966 -5.268 349 HG22 THR 72 HG22 THR 72 3.485 -9.375 -4.015 350 HG23 THR 72 HG23 THR 72 3.104 -9.103 -5.715 351 HA PRO 73 HA PRO 73 -0.114 -9.560 -8.350 352 HB2 PRO 73 HB2 PRO 73 -1.529 -11.646 -9.458 353 HB3 PRO 73 HB1 PRO 73 0.200 -11.375 -9.729 354 HG2 PRO 73 HG2 PRO 73 -1.130 -13.241 -7.839 355 HG3 PRO 73 HG1 PRO 73 0.283 -13.505 -8.882 356 HD2 PRO 73 HD2 PRO 73 0.558 -13.014 -6.266 357 HD3 PRO 73 HD1 PRO 73 1.706 -12.380 -7.462 358 H GLY 74 HN GLY 74 -1.889 -11.502 -6.071 359 HA2 GLY 74 HA2 GLY 74 -4.507 -10.684 -6.826 360 HA3 GLY 74 HA1 GLY 74 -4.055 -11.430 -5.301 361 H VAL 75 HN VAL 75 -2.215 -9.516 -4.367 362 HA VAL 75 HA VAL 75 -3.992 -7.631 -3.226 363 HB VAL 75 HB VAL 75 -1.784 -8.489 -2.235 364 HG11 VAL 75 HG11 VAL 75 -0.235 -7.994 -3.975 365 HG12 VAL 75 HG12 VAL 75 0.153 -6.941 -2.615 366 HG13 VAL 75 HG13 VAL 75 -0.718 -6.298 -4.007 367 HG21 VAL 75 HG21 VAL 75 -1.464 -6.458 -0.920 368 HG22 VAL 75 HG22 VAL 75 -3.175 -6.809 -1.160 369 HG23 VAL 75 HG23 VAL 75 -2.396 -5.543 -2.108 370 H ILE 76 HN ILE 76 -1.916 -7.558 -6.022 371 HA ILE 76 HA ILE 76 -1.817 -4.776 -6.437 372 HB ILE 76 HB ILE 76 -1.747 -6.986 -8.506 373 HG12 ILE 76 HG12 ILE 76 0.496 -5.565 -7.050 374 HG13 ILE 76 HG11 ILE 76 -0.021 -7.224 -6.765 375 HG21 ILE 76 HG21 ILE 76 -0.814 -4.121 -8.692 376 HG22 ILE 76 HG22 ILE 76 -2.231 -4.798 -9.494 377 HG23 ILE 76 HG23 ILE 76 -0.616 -5.355 -9.936 378 HD11 ILE 76 HD11 ILE 76 1.276 -6.101 -9.231 379 HD12 ILE 76 HD12 ILE 76 0.578 -7.719 -9.139 380 HD13 ILE 76 HD13 ILE 76 1.937 -7.283 -8.101 381 H ARG 77 HN ARG 77 -4.086 -7.255 -7.496 382 HA ARG 77 HA ARG 77 -5.717 -5.644 -9.113 383 HB2 ARG 77 HB2 ARG 77 -5.814 -8.093 -9.169 384 HB3 ARG 77 HB1 ARG 77 -6.415 -8.119 -7.519 385 HG2 ARG 77 HG2 ARG 77 -8.490 -7.139 -8.167 386 HG3 ARG 77 HG1 ARG 77 -7.888 -6.814 -9.796 387 HD2 ARG 77 HD2 ARG 77 -9.352 -8.764 -9.763 388 HD3 ARG 77 HD1 ARG 77 -7.709 -9.213 -10.203 389 HE ARG 77 HE ARG 77 -8.718 -9.569 -7.453 390 HH11 ARG 77 HH11 ARG 77 -6.843 -12.369 -9.633 391 HH12 ARG 77 HH12 ARG 77 -7.222 -10.834 -10.340 392 HH21 ARG 77 HH21 ARG 77 -8.213 -11.589 -6.500 393 HH22 ARG 77 HH22 ARG 77 -7.405 -12.804 -7.442 394 H ARG 78 HN ARG 78 -5.768 -6.374 -5.674 395 HA ARG 78 HA ARG 78 -8.202 -5.048 -5.086 396 HB2 ARG 78 HB2 ARG 78 -5.844 -5.922 -3.457 397 HB3 ARG 78 HB1 ARG 78 -7.111 -4.944 -2.727 398 HG2 ARG 78 HG2 ARG 78 -7.466 -7.618 -4.048 399 HG3 ARG 78 HG1 ARG 78 -7.482 -7.306 -2.312 400 HD2 ARG 78 HD2 ARG 78 -9.386 -5.613 -2.953 401 HD3 ARG 78 HD1 ARG 78 -9.514 -6.625 -4.392 402 HE ARG 78 HE ARG 78 -9.535 -8.054 -1.863 403 HH11 ARG 78 HH11 ARG 78 -11.451 -6.542 -4.374 404 HH12 ARG 78 HH12 ARG 78 -12.894 -7.418 -3.977 405 HH21 ARG 78 HH21 ARG 78 -12.859 -8.944 -2.252 406 HH22 ARG 78 HH22 ARG 78 -11.398 -9.213 -1.348 407 H VAL 79 HN VAL 79 -4.810 -4.013 -4.885 408 HA VAL 79 HA VAL 79 -5.357 -1.415 -3.904 409 HB VAL 79 HB VAL 79 -2.970 -2.564 -5.355 410 HG11 VAL 79 HG11 VAL 79 -3.153 -0.114 -5.751 411 HG12 VAL 79 HG12 VAL 79 -1.723 -0.588 -4.832 412 HG13 VAL 79 HG13 VAL 79 -3.107 0.130 -4.004 413 HG21 VAL 79 HG21 VAL 79 -1.934 -2.361 -3.109 414 HG22 VAL 79 HG22 VAL 79 -3.298 -3.477 -3.163 415 HG23 VAL 79 HG23 VAL 79 -3.503 -1.867 -2.471 416 H SER 80 HN SER 80 -4.834 -2.670 -7.177 417 HA SER 80 HA SER 80 -4.875 -0.235 -8.544 418 HB2 SER 80 HB2 SER 80 -4.379 -2.759 -9.292 419 HB3 SER 80 HB1 SER 80 -6.039 -2.634 -9.871 420 HG SER 80 HG SER 80 -5.375 -1.396 -11.438 421 H GLN 81 HN GLN 81 -7.514 -2.367 -7.545 422 HA GLN 81 HA GLN 81 -9.504 -0.813 -8.920 423 HB2 GLN 81 HB2 GLN 81 -9.610 -3.101 -6.985 424 HB3 GLN 81 HB1 GLN 81 -11.072 -2.242 -7.449 425 HG2 GLN 81 HG2 GLN 81 -9.184 -3.546 -9.396 426 HG3 GLN 81 HG1 GLN 81 -10.627 -4.318 -8.748 427 HE21 GLN 81 HE21 GLN 81 -9.366 -2.062 -11.011 428 HE22 GLN 81 HE22 GLN 81 -10.866 -1.650 -11.770 429 H LEU 82 HN LEU 82 -8.066 -0.804 -5.754 430 HA LEU 82 HA LEU 82 -10.117 0.765 -4.497 431 HB2 LEU 82 HB2 LEU 82 -8.601 -0.725 -3.227 432 HB3 LEU 82 HB1 LEU 82 -7.248 0.306 -3.660 433 HG LEU 82 HG LEU 82 -8.444 2.182 -2.455 434 HD11 LEU 82 HD11 LEU 82 -10.684 1.329 -2.423 435 HD12 LEU 82 HD12 LEU 82 -10.108 1.478 -0.761 436 HD13 LEU 82 HD13 LEU 82 -10.166 -0.103 -1.535 437 HD21 LEU 82 HD21 LEU 82 -7.662 -0.239 -0.845 438 HD22 LEU 82 HD22 LEU 82 -7.753 1.415 -0.246 439 HD23 LEU 82 HD23 LEU 82 -6.562 0.986 -1.475 440 H PHE 83 HN PHE 83 -6.815 1.450 -5.654 441 HA PHE 83 HA PHE 83 -7.314 4.319 -5.419 442 HB2 PHE 83 HB2 PHE 83 -4.821 2.832 -6.292 443 HB3 PHE 83 HB1 PHE 83 -4.937 4.563 -6.013 444 HD1 PHE 83 HD1 PHE 83 -6.747 4.200 -3.472 445 HD2 PHE 83 HD2 PHE 83 -3.041 2.524 -4.730 446 HE1 PHE 83 HE1 PHE 83 -6.105 3.851 -1.124 447 HE2 PHE 83 HE2 PHE 83 -2.400 2.178 -2.383 448 HZ PHE 83 HZ PHE 83 -3.929 2.848 -0.578 449 H HIS 84 HN HIS 84 -8.999 3.303 -7.219 450 HA HIS 84 HA HIS 84 -8.011 3.175 -9.883 451 HB2 HIS 84 HB2 HIS 84 -10.369 3.274 -10.562 452 HB3 HIS 84 HB1 HIS 84 -10.117 2.109 -9.272 453 HD2 HIS 84 HD2 HIS 84 -11.070 2.973 -6.705 454 HE1 HIS 84 HE1 HIS 84 -13.655 5.857 -8.406 455 HE2 HIS 84 HE2 HIS 84 -13.075 4.573 -6.300 456 H GLU 85 HN GLU 85 -8.388 5.794 -7.829 457 HA GLU 85 HA GLU 85 -8.691 7.674 -10.076 458 HB2 GLU 85 HB2 GLU 85 -9.269 7.930 -7.135 459 HB3 GLU 85 HB1 GLU 85 -9.098 9.344 -8.166 460 HG2 GLU 85 HG2 GLU 85 -11.064 7.122 -8.688 461 HG3 GLU 85 HG1 GLU 85 -11.449 8.588 -7.785 462 H HIS 86 HN HIS 86 -6.428 6.349 -7.962 463 HA HIS 86 HA HIS 86 -4.565 8.561 -8.506 464 HB2 HIS 86 HB2 HIS 86 -4.604 6.978 -5.924 465 HB3 HIS 86 HB1 HIS 86 -3.594 8.370 -6.299 466 HD2 HIS 86 HD2 HIS 86 -4.843 10.852 -6.086 467 HE1 HIS 86 HE1 HIS 86 -8.414 9.305 -4.424 468 HE2 HIS 86 HE2 HIS 86 -7.093 11.415 -4.915 469 HA PRO 87 HA PRO 87 -2.863 4.551 -10.126 470 HB2 PRO 87 HB2 PRO 87 -1.488 5.802 -12.158 471 HB3 PRO 87 HB1 PRO 87 -3.149 5.205 -12.306 472 HG2 PRO 87 HG2 PRO 87 -2.188 7.973 -11.798 473 HG3 PRO 87 HG1 PRO 87 -3.513 7.404 -12.833 474 HD2 PRO 87 HD2 PRO 87 -3.984 8.469 -10.423 475 HD3 PRO 87 HD1 PRO 87 -4.971 7.141 -11.062 476 H ASP 88 HN ASP 88 -1.411 7.647 -9.416 477 HA ASP 88 HA ASP 88 1.291 6.976 -9.450 478 HB2 ASP 88 HB2 ASP 88 -0.098 8.939 -7.613 479 HB3 ASP 88 HB1 ASP 88 1.623 8.909 -7.974 480 H LEU 89 HN LEU 89 -1.122 6.509 -6.938 481 HA LEU 89 HA LEU 89 0.795 5.699 -4.963 482 HB2 LEU 89 HB2 LEU 89 -2.206 5.427 -5.069 483 HB3 LEU 89 HB1 LEU 89 -1.231 4.962 -3.686 484 HG LEU 89 HG LEU 89 -1.416 7.767 -4.804 485 HD11 LEU 89 HD11 LEU 89 -2.579 8.128 -2.548 486 HD12 LEU 89 HD12 LEU 89 -2.823 6.382 -2.550 487 HD13 LEU 89 HD13 LEU 89 -3.501 7.367 -3.845 488 HD21 LEU 89 HD21 LEU 89 -0.138 6.739 -2.268 489 HD22 LEU 89 HD22 LEU 89 -0.236 8.421 -2.787 490 HD23 LEU 89 HD23 LEU 89 0.727 7.272 -3.710 491 H ILE 90 HN ILE 90 -1.116 4.087 -7.399 492 HA ILE 90 HA ILE 90 -0.813 1.447 -6.382 493 HB ILE 90 HB ILE 90 -1.197 2.238 -9.276 494 HG12 ILE 90 HG12 ILE 90 -3.320 1.691 -7.194 495 HG13 ILE 90 HG11 ILE 90 -2.890 3.292 -7.796 496 HG21 ILE 90 HG21 ILE 90 -2.345 0.023 -9.391 497 HG22 ILE 90 HG22 ILE 90 -1.776 -0.293 -7.750 498 HG23 ILE 90 HG23 ILE 90 -0.615 -0.067 -9.058 499 HD11 ILE 90 HD11 ILE 90 -4.936 2.260 -8.826 500 HD12 ILE 90 HD12 ILE 90 -3.862 1.076 -9.576 501 HD13 ILE 90 HD13 ILE 90 -3.694 2.784 -9.965 502 H VAL 91 HN VAL 91 0.901 3.366 -8.800 503 HA VAL 91 HA VAL 91 2.862 1.389 -9.386 504 HB VAL 91 HB VAL 91 3.047 4.385 -9.805 505 HG11 VAL 91 HG11 VAL 91 5.204 3.326 -9.997 506 HG12 VAL 91 HG12 VAL 91 4.628 3.763 -11.608 507 HG13 VAL 91 HG13 VAL 91 4.541 2.089 -11.060 508 HG21 VAL 91 HG21 VAL 91 2.190 2.346 -11.838 509 HG22 VAL 91 HG22 VAL 91 2.077 4.103 -11.926 510 HG23 VAL 91 HG23 VAL 91 1.037 3.210 -10.818 511 H GLY 92 HN GLY 92 2.650 4.098 -7.147 512 HA2 GLY 92 HA2 GLY 92 5.288 4.197 -6.253 513 HA3 GLY 92 HA1 GLY 92 3.885 4.659 -5.305 514 H PHE 93 HN PHE 93 2.605 2.166 -5.158 515 HA PHE 93 HA PHE 93 3.879 0.999 -2.956 516 HB2 PHE 93 HB2 PHE 93 1.478 0.779 -3.334 517 HB3 PHE 93 HB1 PHE 93 1.770 -0.164 -4.791 518 HD1 PHE 93 HD1 PHE 93 2.754 -0.237 -1.186 519 HD2 PHE 93 HD2 PHE 93 1.501 -2.421 -4.615 520 HE1 PHE 93 HE1 PHE 93 2.726 -2.304 0.142 521 HE2 PHE 93 HE2 PHE 93 1.472 -4.496 -3.297 522 HZ PHE 93 HZ PHE 93 2.084 -4.438 -0.906 523 H ASN 94 HN ASN 94 4.195 0.375 -6.373 524 HA ASN 94 HA ASN 94 5.402 -2.198 -6.171 525 HB2 ASN 94 HB2 ASN 94 5.158 -0.143 -8.336 526 HB3 ASN 94 HB1 ASN 94 6.312 -1.460 -8.530 527 HD21 ASN 94 HD21 ASN 94 2.999 -0.538 -8.503 528 HD22 ASN 94 HD22 ASN 94 2.342 -2.058 -9.003 529 H ALA 95 HN ALA 95 6.514 0.977 -5.566 530 HA ALA 95 HA ALA 95 9.322 0.151 -5.829 531 HB1 ALA 95 HB1 ALA 95 8.280 2.931 -5.342 532 HB2 ALA 95 HB2 ALA 95 8.562 2.261 -6.946 533 HB3 ALA 95 HB3 ALA 95 9.910 2.465 -5.826 534 H PHE 96 HN PHE 96 6.941 0.232 -3.561 535 HA PHE 96 HA PHE 96 8.851 0.771 -1.386 536 HB2 PHE 96 HB2 PHE 96 5.866 1.147 -1.525 537 HB3 PHE 96 HB1 PHE 96 6.711 1.042 0.017 538 HD1 PHE 96 HD1 PHE 96 5.591 3.209 -2.496 539 HD2 PHE 96 HD2 PHE 96 8.786 2.634 0.251 540 HE1 PHE 96 HE1 PHE 96 6.151 5.596 -2.657 541 HE2 PHE 96 HE2 PHE 96 9.353 5.026 0.091 542 HZ PHE 96 HZ PHE 96 8.038 6.507 -1.362 543 H LEU 97 HN LEU 97 8.239 -1.719 -2.976 544 HA LEU 97 HA LEU 97 7.083 -3.530 -1.055 545 HB2 LEU 97 HB2 LEU 97 8.424 -3.903 -3.727 546 HB3 LEU 97 HB1 LEU 97 7.936 -5.261 -2.735 547 HG LEU 97 HG LEU 97 5.921 -3.175 -3.458 548 HD11 LEU 97 HD11 LEU 97 5.369 -4.403 -5.474 549 HD12 LEU 97 HD12 LEU 97 6.723 -5.499 -5.196 550 HD13 LEU 97 HD13 LEU 97 7.026 -3.799 -5.554 551 HD21 LEU 97 HD21 LEU 97 4.365 -4.945 -3.155 552 HD22 LEU 97 HD22 LEU 97 5.481 -5.007 -1.788 553 HD23 LEU 97 HD23 LEU 97 5.648 -6.152 -3.120 554 HA PRO 98 HA PRO 98 11.035 -3.911 1.021 555 HB2 PRO 98 HB2 PRO 98 10.162 -5.582 2.990 556 HB3 PRO 98 HB1 PRO 98 9.873 -3.834 3.005 557 HG2 PRO 98 HG2 PRO 98 8.041 -6.032 2.241 558 HG3 PRO 98 HG1 PRO 98 7.704 -4.548 3.147 559 HD2 PRO 98 HD2 PRO 98 7.083 -4.846 0.521 560 HD3 PRO 98 HD1 PRO 98 7.475 -3.281 1.260 561 H SER 99 HN SER 99 9.105 -6.430 -0.352 562 HA SER 99 HA SER 99 11.455 -8.207 -0.361 563 HB2 SER 99 HB2 SER 99 8.737 -9.382 -0.673 564 HB3 SER 99 HB1 SER 99 10.166 -10.053 0.106 565 HG SER 99 HG SER 99 9.795 -8.471 1.800 566 H GLY 100 HN GLY 100 11.620 -9.583 -2.267 567 HA2 GLY 100 HA2 GLY 100 10.036 -9.504 -4.525 568 HA3 GLY 100 HA1 GLY 100 11.130 -8.134 -4.665 569 HA PRO 101 HA PRO 101 13.609 -11.465 -6.491 570 HB2 PRO 101 HB2 PRO 101 15.140 -9.342 -7.763 571 HB3 PRO 101 HB1 PRO 101 14.072 -10.535 -8.521 572 HG2 PRO 101 HG2 PRO 101 13.512 -7.888 -8.429 573 HG3 PRO 101 HG1 PRO 101 12.272 -9.152 -8.497 574 HD2 PRO 101 HD2 PRO 101 13.229 -7.587 -6.141 575 HD3 PRO 101 HD1 PRO 101 11.580 -8.095 -6.566 576 H SER 102 HN SER 102 14.338 -8.902 -4.419 577 HA SER 102 HA SER 102 17.145 -9.069 -4.241 578 HB2 SER 102 HB2 SER 102 15.382 -8.288 -1.933 579 HB3 SER 102 HB1 SER 102 16.945 -7.624 -2.412 580 HG SER 102 HG SER 102 15.397 -6.164 -3.028 581 H SER 103 HN SER 103 18.440 -10.011 -2.615 582 HA SER 103 HA SER 103 17.840 -12.679 -2.003 583 HB2 SER 103 HB2 SER 103 19.884 -11.124 -0.458 584 HB3 SER 103 HB1 SER 103 19.982 -12.765 -1.097 585 HG SER 103 HG SER 103 21.122 -11.752 -2.579 586 H GLY 104 HN GLY 104 16.928 -13.637 -0.291 587 HA2 GLY 104 HA2 GLY 104 16.703 -13.571 2.205 588 HA3 GLY 104 HA1 GLY 104 16.137 -11.923 1.986 Start of MODEL 3 1 H1 GLY 25 HN GLY 25 14.857 22.676 -6.720 2 HA2 GLY 25 HA2 GLY 25 17.048 21.507 -5.362 3 HA3 GLY 25 HA1 GLY 25 15.719 21.765 -4.242 4 H SER 26 HN SER 26 16.064 19.305 -4.237 5 HA SER 26 HA SER 26 14.432 18.095 -6.370 6 HB2 SER 26 HB2 SER 26 15.670 15.949 -5.355 7 HB3 SER 26 HB1 SER 26 16.396 16.937 -6.624 8 HG SER 26 HG SER 26 17.569 16.381 -4.484 9 H SER 27 HN SER 27 12.679 16.884 -5.789 10 HA SER 27 HA SER 27 11.992 16.931 -2.943 11 HB2 SER 27 HB2 SER 27 10.184 16.443 -5.322 12 HB3 SER 27 HB1 SER 27 9.674 16.675 -3.651 13 HG SER 27 HG SER 27 11.279 18.690 -4.588 14 H GLY 28 HN GLY 28 13.519 15.107 -2.674 15 HA2 GLY 28 HA2 GLY 28 12.067 12.599 -2.807 16 HA3 GLY 28 HA1 GLY 28 13.554 12.651 -3.745 17 H SER 29 HN SER 29 12.590 11.259 -1.181 18 HA SER 29 HA SER 29 14.777 12.115 0.593 19 HB2 SER 29 HB2 SER 29 12.494 10.278 1.326 20 HB3 SER 29 HB1 SER 29 13.555 11.177 2.408 21 HG SER 29 HG SER 29 12.422 12.958 2.080 22 H SER 30 HN SER 30 16.572 10.987 0.082 23 HA SER 30 HA SER 30 16.359 8.185 -0.676 24 HB2 SER 30 HB2 SER 30 18.917 9.742 -0.381 25 HB3 SER 30 HB1 SER 30 18.597 8.351 -1.414 26 HG SER 30 HG SER 30 18.572 10.731 -2.237 27 H GLY 31 HN GLY 31 17.435 6.500 0.436 28 HA2 GLY 31 HA2 GLY 31 18.785 5.702 2.265 29 HA3 GLY 31 HA1 GLY 31 18.350 7.159 3.151 30 H VAL 32 HN VAL 32 17.334 3.987 2.166 31 HA VAL 32 HA VAL 32 14.815 4.238 3.602 32 HB VAL 32 HB VAL 32 14.426 1.878 2.842 33 HG11 VAL 32 HG11 VAL 32 14.073 2.491 0.470 34 HG12 VAL 32 HG12 VAL 32 15.041 3.940 0.736 35 HG13 VAL 32 HG13 VAL 32 13.518 3.732 1.596 36 HG21 VAL 32 HG21 VAL 32 16.878 2.289 1.147 37 HG22 VAL 32 HG22 VAL 32 15.872 0.846 1.251 38 HG23 VAL 32 HG23 VAL 32 16.867 1.329 2.625 39 H HIS 33 HN HIS 33 14.202 2.444 5.101 40 HA HIS 33 HA HIS 33 16.519 1.668 6.751 41 HB2 HIS 33 HB2 HIS 33 13.778 2.613 7.603 42 HB3 HIS 33 HB1 HIS 33 14.846 1.739 8.690 43 HD2 HIS 33 HD2 HIS 33 14.746 5.162 6.784 44 HE1 HIS 33 HE1 HIS 33 17.448 5.398 10.026 45 HE2 HIS 33 HE2 HIS 33 16.315 6.691 8.169 46 H VAL 34 HN VAL 34 15.722 -0.162 8.365 47 HA VAL 34 HA VAL 34 14.872 -2.336 6.677 48 HB VAL 34 HB VAL 34 15.303 -3.778 8.629 49 HG11 VAL 34 HG11 VAL 34 17.134 -3.063 7.091 50 HG12 VAL 34 HG12 VAL 34 17.677 -3.498 8.709 51 HG13 VAL 34 HG13 VAL 34 17.549 -1.799 8.248 52 HG21 VAL 34 HG21 VAL 34 15.862 -1.175 10.049 53 HG22 VAL 34 HG22 VAL 34 16.297 -2.767 10.672 54 HG23 VAL 34 HG23 VAL 34 14.602 -2.350 10.426 55 H GLU 35 HN GLU 35 13.335 -0.111 8.687 56 HA GLU 35 HA GLU 35 10.880 -1.691 8.584 57 HB2 GLU 35 HB2 GLU 35 11.869 -1.967 10.848 58 HB3 GLU 35 HB1 GLU 35 11.817 -0.226 11.061 59 HG2 GLU 35 HG2 GLU 35 9.339 -0.338 10.754 60 HG3 GLU 35 HG1 GLU 35 9.481 -2.095 10.793 61 H ASP 36 HN ASP 36 10.235 -0.321 6.884 62 HA ASP 36 HA ASP 36 9.473 2.380 7.766 63 HB2 ASP 36 HB2 ASP 36 9.855 3.162 5.408 64 HB3 ASP 36 HB1 ASP 36 11.318 2.731 6.281 65 H ALA 37 HN ALA 37 8.216 -0.436 7.253 66 HA ALA 37 HA ALA 37 6.283 -0.184 5.253 67 HB1 ALA 37 HB1 ALA 37 6.820 -2.304 6.330 68 HB2 ALA 37 HB2 ALA 37 5.093 -1.964 6.443 69 HB3 ALA 37 HB3 ALA 37 6.134 -1.720 7.845 70 H LEU 38 HN LEU 38 6.168 0.643 8.685 71 HA LEU 38 HA LEU 38 3.488 1.476 8.789 72 HB2 LEU 38 HB2 LEU 38 4.017 2.468 10.902 73 HB3 LEU 38 HB1 LEU 38 4.899 0.959 10.768 74 HG LEU 38 HG LEU 38 6.251 3.532 10.049 75 HD11 LEU 38 HD11 LEU 38 5.253 3.958 12.221 76 HD12 LEU 38 HD12 LEU 38 6.998 3.761 12.370 77 HD13 LEU 38 HD13 LEU 38 5.920 2.449 12.842 78 HD21 LEU 38 HD21 LEU 38 7.491 1.560 9.532 79 HD22 LEU 38 HD22 LEU 38 7.154 0.860 11.115 80 HD23 LEU 38 HD23 LEU 38 8.211 2.266 10.980 81 H THR 39 HN THR 39 6.411 3.103 7.793 82 HA THR 39 HA THR 39 5.525 5.761 7.910 83 HB THR 39 HB THR 39 7.447 4.685 5.855 84 HG1 THR 39 HG1 THR 39 8.422 5.574 8.308 85 HG21 THR 39 HG21 THR 39 7.341 7.315 7.346 86 HG22 THR 39 HG22 THR 39 6.839 7.063 5.674 87 HG23 THR 39 HG23 THR 39 8.532 6.858 6.127 88 H TYR 40 HN TYR 40 5.555 3.473 5.161 89 HA TYR 40 HA TYR 40 4.195 5.269 3.425 90 HB2 TYR 40 HB2 TYR 40 5.632 3.103 2.917 91 HB3 TYR 40 HB1 TYR 40 4.052 2.326 2.972 92 HD1 TYR 40 HD1 TYR 40 3.252 1.914 0.841 93 HD2 TYR 40 HD2 TYR 40 5.300 5.575 1.576 94 HE1 TYR 40 HE1 TYR 40 2.825 2.616 -1.477 95 HE2 TYR 40 HE2 TYR 40 4.880 6.280 -0.738 96 HH TYR 40 HH TYR 40 2.688 4.648 -2.793 97 H LEU 41 HN LEU 41 3.158 2.869 5.729 98 HA LEU 41 HA LEU 41 0.478 2.616 4.844 99 HB2 LEU 41 HB2 LEU 41 2.073 1.547 6.896 100 HB3 LEU 41 HB1 LEU 41 0.733 2.331 7.711 101 HG LEU 41 HG LEU 41 0.284 -0.041 7.310 102 HD11 LEU 41 HD11 LEU 41 -1.916 0.180 6.497 103 HD12 LEU 41 HD12 LEU 41 -1.493 1.576 5.507 104 HD13 LEU 41 HD13 LEU 41 -1.529 1.723 7.265 105 HD21 LEU 41 HD21 LEU 41 1.603 -0.391 5.311 106 HD22 LEU 41 HD22 LEU 41 0.535 0.668 4.388 107 HD23 LEU 41 HD23 LEU 41 -0.071 -0.863 5.020 108 H ASP 42 HN ASP 42 2.107 4.897 6.966 109 HA ASP 42 HA ASP 42 -0.303 6.138 7.893 110 HB2 ASP 42 HB2 ASP 42 1.926 6.210 9.096 111 HB3 ASP 42 HB1 ASP 42 2.453 7.379 7.886 112 H GLN 43 HN GLN 43 1.897 6.605 5.214 113 HA GLN 43 HA GLN 43 1.076 9.155 4.387 114 HB2 GLN 43 HB2 GLN 43 2.112 6.821 2.770 115 HB3 GLN 43 HB1 GLN 43 1.874 8.432 2.116 116 HG2 GLN 43 HG2 GLN 43 3.733 7.722 4.372 117 HG3 GLN 43 HG1 GLN 43 4.202 8.032 2.702 118 HE21 GLN 43 HE21 GLN 43 4.133 10.143 1.901 119 HE22 GLN 43 HE22 GLN 43 4.029 11.519 2.946 120 H VAL 44 HN VAL 44 -0.207 5.946 3.752 121 HA VAL 44 HA VAL 44 -2.149 6.587 1.844 122 HB VAL 44 HB VAL 44 -2.212 4.425 3.970 123 HG11 VAL 44 HG11 VAL 44 -3.741 4.454 1.381 124 HG12 VAL 44 HG12 VAL 44 -4.428 5.014 2.905 125 HG13 VAL 44 HG13 VAL 44 -3.912 3.335 2.736 126 HG21 VAL 44 HG21 VAL 44 -1.300 4.347 1.096 127 HG22 VAL 44 HG22 VAL 44 -1.406 2.956 2.174 128 HG23 VAL 44 HG23 VAL 44 -0.265 4.256 2.520 129 H LYS 45 HN LYS 45 -2.168 6.677 5.346 130 HA LYS 45 HA LYS 45 -4.917 7.258 5.696 131 HB2 LYS 45 HB2 LYS 45 -3.573 6.354 7.509 132 HB3 LYS 45 HB1 LYS 45 -2.521 7.765 7.475 133 HG2 LYS 45 HG2 LYS 45 -4.380 9.167 8.195 134 HG3 LYS 45 HG1 LYS 45 -5.438 7.754 8.222 135 HD2 LYS 45 HD2 LYS 45 -4.820 7.436 10.337 136 HD3 LYS 45 HD1 LYS 45 -3.216 7.015 9.735 137 HE2 LYS 45 HE2 LYS 45 -4.140 9.793 10.462 138 HE3 LYS 45 HE1 LYS 45 -3.148 8.748 11.474 139 HZ1 LYS 45 HZ1 LYS 45 -1.777 10.323 10.310 140 HZ2 LYS 45 HZ2 LYS 45 -2.392 9.835 8.818 141 HZ3 LYS 45 HZ3 LYS 45 -1.446 8.765 9.732 142 H ILE 46 HN ILE 46 -2.046 9.261 5.286 143 HA ILE 46 HA ILE 46 -3.354 11.743 5.816 144 HB ILE 46 HB ILE 46 -0.825 11.284 4.221 145 HG12 ILE 46 HG12 ILE 46 -1.163 11.867 7.170 146 HG13 ILE 46 HG11 ILE 46 -0.708 10.306 6.492 147 HG21 ILE 46 HG21 ILE 46 -1.898 13.501 3.952 148 HG22 ILE 46 HG22 ILE 46 -0.306 13.581 4.707 149 HG23 ILE 46 HG23 ILE 46 -1.758 13.741 5.694 150 HD11 ILE 46 HD11 ILE 46 1.275 11.550 5.467 151 HD12 ILE 46 HD12 ILE 46 1.288 11.245 7.203 152 HD13 ILE 46 HD13 ILE 46 0.873 12.847 6.592 153 H ARG 47 HN ARG 47 -2.525 9.971 2.863 154 HA ARG 47 HA ARG 47 -3.439 11.883 1.028 155 HB2 ARG 47 HB2 ARG 47 -2.807 8.987 0.953 156 HB3 ARG 47 HB1 ARG 47 -3.828 9.594 -0.340 157 HG2 ARG 47 HG2 ARG 47 -1.218 10.895 0.358 158 HG3 ARG 47 HG1 ARG 47 -1.325 9.535 -0.762 159 HD2 ARG 47 HD2 ARG 47 -2.856 10.801 -2.174 160 HD3 ARG 47 HD1 ARG 47 -2.800 12.151 -1.044 161 HE ARG 47 HE ARG 47 -0.214 11.373 -2.052 162 HH11 ARG 47 HH11 ARG 47 -2.219 14.474 -3.660 163 HH12 ARG 47 HH12 ARG 47 -3.045 13.357 -2.627 164 HH21 ARG 47 HH21 ARG 47 0.895 12.837 -3.396 165 HH22 ARG 47 HH22 ARG 47 0.044 14.179 -4.095 166 H PHE 48 HN PHE 48 -5.137 9.313 2.753 167 HA PHE 48 HA PHE 48 -7.628 10.095 1.410 168 HB2 PHE 48 HB2 PHE 48 -6.985 7.689 3.122 169 HB3 PHE 48 HB1 PHE 48 -8.571 8.030 2.436 170 HD1 PHE 48 HD1 PHE 48 -7.968 8.912 -0.253 171 HD2 PHE 48 HD2 PHE 48 -6.174 5.815 2.043 172 HE1 PHE 48 HE1 PHE 48 -7.325 7.751 -2.324 173 HE2 PHE 48 HE2 PHE 48 -5.529 4.654 -0.022 174 HZ PHE 48 HZ PHE 48 -6.109 5.623 -2.208 175 H GLY 49 HN GLY 49 -6.477 11.835 3.308 176 HA2 GLY 49 HA2 GLY 49 -7.540 11.629 5.888 177 HA3 GLY 49 HA1 GLY 49 -7.100 13.131 5.093 178 H SER 50 HN SER 50 -8.930 12.881 2.919 179 HA SER 50 HA SER 50 -11.394 13.545 4.353 180 HB2 SER 50 HB2 SER 50 -10.781 14.165 1.470 181 HB3 SER 50 HB1 SER 50 -11.981 14.932 2.510 182 HG SER 50 HG SER 50 -9.978 15.498 3.817 183 H ASP 51 HN ASP 51 -10.280 10.814 3.290 184 HA ASP 51 HA ASP 51 -12.883 9.936 2.292 185 HB2 ASP 51 HB2 ASP 51 -11.139 10.386 0.395 186 HB3 ASP 51 HB1 ASP 51 -10.432 8.867 0.937 187 HA PRO 52 HA PRO 52 -11.082 7.232 5.627 188 HB2 PRO 52 HB2 PRO 52 -13.543 6.872 6.839 189 HB3 PRO 52 HB1 PRO 52 -12.375 8.129 7.285 190 HG2 PRO 52 HG2 PRO 52 -14.828 8.336 5.639 191 HG3 PRO 52 HG1 PRO 52 -14.114 9.501 6.768 192 HD2 PRO 52 HD2 PRO 52 -13.904 9.749 4.080 193 HD3 PRO 52 HD1 PRO 52 -12.671 10.341 5.208 194 H ALA 53 HN ALA 53 -13.837 6.958 3.479 195 HA ALA 53 HA ALA 53 -14.444 4.242 3.882 196 HB1 ALA 53 HB1 ALA 53 -15.875 5.870 2.665 197 HB2 ALA 53 HB2 ALA 53 -15.644 4.347 1.810 198 HB3 ALA 53 HB3 ALA 53 -14.750 5.783 1.311 199 H THR 54 HN THR 54 -12.348 5.806 1.454 200 HA THR 54 HA THR 54 -11.520 3.427 0.215 201 HB THR 54 HB THR 54 -9.889 5.960 0.404 202 HG1 THR 54 HG1 THR 54 -11.989 6.506 -0.285 203 HG21 THR 54 HG21 THR 54 -8.990 5.303 -1.725 204 HG22 THR 54 HG22 THR 54 -10.118 3.952 -1.837 205 HG23 THR 54 HG23 THR 54 -8.838 3.928 -0.625 206 H TYR 55 HN TYR 55 -10.238 5.226 2.970 207 HA TYR 55 HA TYR 55 -7.864 3.689 3.235 208 HB2 TYR 55 HB2 TYR 55 -8.145 5.957 4.203 209 HB3 TYR 55 HB1 TYR 55 -9.303 5.299 5.354 210 HD1 TYR 55 HD1 TYR 55 -5.959 4.107 4.170 211 HD2 TYR 55 HD2 TYR 55 -8.362 5.315 7.465 212 HE1 TYR 55 HE1 TYR 55 -4.111 3.585 5.696 213 HE2 TYR 55 HE2 TYR 55 -6.519 4.794 9.005 214 HH TYR 55 HH TYR 55 -3.325 4.083 7.881 215 H ASN 56 HN ASN 56 -11.083 3.476 4.672 216 HA ASN 56 HA ASN 56 -10.518 1.395 6.501 217 HB2 ASN 56 HB2 ASN 56 -12.933 2.697 5.426 218 HB3 ASN 56 HB1 ASN 56 -13.162 1.016 5.902 219 HD21 ASN 56 HD21 ASN 56 -14.520 1.703 7.553 220 HD22 ASN 56 HD22 ASN 56 -13.902 2.382 9.018 221 H GLY 57 HN GLY 57 -11.653 1.395 3.158 222 HA2 GLY 57 HA2 GLY 57 -12.041 -1.391 2.919 223 HA3 GLY 57 HA1 GLY 57 -11.756 -0.279 1.586 224 H PHE 58 HN PHE 58 -9.201 0.603 2.766 225 HA PHE 58 HA PHE 58 -7.479 -1.185 1.443 226 HB2 PHE 58 HB2 PHE 58 -6.976 1.211 1.776 227 HB3 PHE 58 HB1 PHE 58 -6.818 0.929 3.505 228 HD1 PHE 58 HD1 PHE 58 -4.805 0.120 4.436 229 HD2 PHE 58 HD2 PHE 58 -5.320 0.191 0.211 230 HE1 PHE 58 HE1 PHE 58 -2.409 -0.363 4.139 231 HE2 PHE 58 HE2 PHE 58 -2.929 -0.297 -0.088 232 HZ PHE 58 HZ PHE 58 -1.473 -0.577 1.873 233 H LEU 59 HN LEU 59 -8.258 -0.710 4.846 234 HA LEU 59 HA LEU 59 -6.386 -2.541 5.890 235 HB2 LEU 59 HB2 LEU 59 -9.049 -1.655 6.994 236 HB3 LEU 59 HB1 LEU 59 -7.834 -2.534 7.904 237 HG LEU 59 HG LEU 59 -7.406 0.217 6.711 238 HD11 LEU 59 HD11 LEU 59 -9.131 -0.025 8.599 239 HD12 LEU 59 HD12 LEU 59 -7.841 1.164 8.782 240 HD13 LEU 59 HD13 LEU 59 -7.742 -0.383 9.625 241 HD21 LEU 59 HD21 LEU 59 -5.476 0.208 8.306 242 HD22 LEU 59 HD22 LEU 59 -5.330 -0.919 6.958 243 HD23 LEU 59 HD23 LEU 59 -5.773 -1.512 8.559 244 H GLU 60 HN GLU 60 -9.555 -2.925 4.496 245 HA GLU 60 HA GLU 60 -10.055 -5.557 5.432 246 HB2 GLU 60 HB2 GLU 60 -11.116 -4.281 2.906 247 HB3 GLU 60 HB1 GLU 60 -11.821 -5.636 3.775 248 HG2 GLU 60 HG2 GLU 60 -11.550 -2.850 4.881 249 HG3 GLU 60 HG1 GLU 60 -13.008 -3.500 4.130 250 H ILE 61 HN ILE 61 -8.373 -4.218 2.666 251 HA ILE 61 HA ILE 61 -8.073 -6.631 1.197 252 HB ILE 61 HB ILE 61 -6.374 -4.128 1.183 253 HG12 ILE 61 HG12 ILE 61 -8.567 -4.976 -0.714 254 HG13 ILE 61 HG11 ILE 61 -8.790 -3.832 0.602 255 HG21 ILE 61 HG21 ILE 61 -5.542 -4.864 -0.971 256 HG22 ILE 61 HG22 ILE 61 -6.523 -6.326 -0.876 257 HG23 ILE 61 HG23 ILE 61 -5.195 -6.081 0.257 258 HD11 ILE 61 HD11 ILE 61 -6.957 -3.480 -1.757 259 HD12 ILE 61 HD12 ILE 61 -7.135 -2.340 -0.423 260 HD13 ILE 61 HD13 ILE 61 -8.498 -2.668 -1.498 261 H MET 62 HN MET 62 -6.239 -5.027 3.724 262 HA MET 62 HA MET 62 -3.921 -6.624 3.643 263 HB2 MET 62 HB2 MET 62 -4.915 -4.498 5.218 264 HB3 MET 62 HB1 MET 62 -4.533 -5.798 6.336 265 HG2 MET 62 HG2 MET 62 -2.573 -4.896 4.257 266 HG3 MET 62 HG1 MET 62 -2.721 -4.063 5.801 267 HE1 MET 62 HE1 MET 62 -1.252 -6.902 3.826 268 HE2 MET 62 HE2 MET 62 -0.009 -7.409 4.971 269 HE3 MET 62 HE3 MET 62 -0.090 -5.729 4.446 270 H LYS 63 HN LYS 63 -7.067 -7.068 5.086 271 HA LYS 63 HA LYS 63 -6.467 -9.157 6.865 272 HB2 LYS 63 HB2 LYS 63 -8.999 -8.457 5.379 273 HB3 LYS 63 HB1 LYS 63 -8.917 -9.725 6.590 274 HG2 LYS 63 HG2 LYS 63 -8.323 -8.126 8.291 275 HG3 LYS 63 HG1 LYS 63 -8.257 -6.833 7.087 276 HD2 LYS 63 HD2 LYS 63 -10.608 -7.025 6.668 277 HD3 LYS 63 HD1 LYS 63 -10.722 -8.466 7.674 278 HE2 LYS 63 HE2 LYS 63 -10.294 -7.221 9.650 279 HE3 LYS 63 HE1 LYS 63 -9.858 -5.781 8.733 280 HZ1 LYS 63 HZ1 LYS 63 -12.073 -5.445 8.090 281 HZ2 LYS 63 HZ2 LYS 63 -12.142 -5.815 9.744 282 HZ3 LYS 63 HZ3 LYS 63 -12.554 -6.989 8.603 283 H GLU 64 HN GLU 64 -7.301 -9.166 3.441 284 HA GLU 64 HA GLU 64 -7.617 -11.954 3.158 285 HB2 GLU 64 HB2 GLU 64 -6.621 -10.107 0.990 286 HB3 GLU 64 HB1 GLU 64 -7.533 -11.596 0.804 287 HG2 GLU 64 HG2 GLU 64 -9.383 -10.380 2.095 288 HG3 GLU 64 HG1 GLU 64 -8.479 -8.916 1.715 289 H PHE 65 HN PHE 65 -4.811 -9.840 2.986 290 HA PHE 65 HA PHE 65 -3.030 -11.885 2.072 291 HB2 PHE 65 HB2 PHE 65 -2.655 -9.440 1.691 292 HB3 PHE 65 HB1 PHE 65 -2.325 -9.271 3.412 293 HD1 PHE 65 HD1 PHE 65 -0.138 -9.372 4.121 294 HD2 PHE 65 HD2 PHE 65 -1.229 -11.300 0.490 295 HE1 PHE 65 HE1 PHE 65 2.222 -9.954 3.729 296 HE2 PHE 65 HE2 PHE 65 1.123 -11.887 0.089 297 HZ PHE 65 HZ PHE 65 2.855 -11.214 1.708 298 H LYS 66 HN LYS 66 -3.939 -10.548 5.200 299 HA LYS 66 HA LYS 66 -1.961 -11.821 6.750 300 HB2 LYS 66 HB2 LYS 66 -4.717 -10.794 7.434 301 HB3 LYS 66 HB1 LYS 66 -3.649 -11.506 8.639 302 HG2 LYS 66 HG2 LYS 66 -2.024 -9.800 8.325 303 HG3 LYS 66 HG1 LYS 66 -2.878 -9.163 6.919 304 HD2 LYS 66 HD2 LYS 66 -3.411 -7.707 8.682 305 HD3 LYS 66 HD1 LYS 66 -4.833 -8.739 8.490 306 HE2 LYS 66 HE2 LYS 66 -4.266 -10.014 10.411 307 HE3 LYS 66 HE1 LYS 66 -2.644 -9.321 10.480 308 HZ1 LYS 66 HZ1 LYS 66 -4.238 -8.409 12.144 309 HZ2 LYS 66 HZ2 LYS 66 -5.121 -7.739 10.870 310 HZ3 LYS 66 HZ3 LYS 66 -3.531 -7.238 11.147 311 H SER 67 HN SER 67 -5.206 -12.844 5.772 312 HA SER 67 HA SER 67 -5.005 -15.341 7.190 313 HB2 SER 67 HB2 SER 67 -7.026 -14.598 5.078 314 HB3 SER 67 HB1 SER 67 -7.197 -15.786 6.374 315 HG SER 67 HG SER 67 -7.206 -14.116 7.870 316 H GLN 68 HN GLN 68 -3.524 -14.250 4.520 317 HA GLN 68 HA GLN 68 -2.414 -15.152 2.778 318 HB2 GLN 68 HB2 GLN 68 -2.845 -17.640 4.416 319 HB3 GLN 68 HB1 GLN 68 -1.893 -17.628 2.936 320 HG2 GLN 68 HG2 GLN 68 -0.464 -15.859 3.973 321 HG3 GLN 68 HG1 GLN 68 -1.338 -16.118 5.482 322 HE21 GLN 68 HE21 GLN 68 -1.087 -18.084 6.568 323 HE22 GLN 68 HE22 GLN 68 0.262 -19.123 6.269 324 H SER 69 HN SER 69 -5.277 -14.821 2.563 325 HA SER 69 HA SER 69 -6.260 -17.035 1.012 326 HB2 SER 69 HB2 SER 69 -7.410 -14.251 0.990 327 HB3 SER 69 HB1 SER 69 -8.252 -15.788 0.804 328 HG SER 69 HG SER 69 -8.554 -15.751 2.871 329 H ILE 70 HN ILE 70 -4.450 -14.177 0.492 330 HA ILE 70 HA ILE 70 -4.283 -14.757 -2.377 331 HB ILE 70 HB ILE 70 -4.204 -12.337 -2.879 332 HG12 ILE 70 HG12 ILE 70 -5.207 -11.958 -0.049 333 HG13 ILE 70 HG11 ILE 70 -3.558 -11.621 -0.573 334 HG21 ILE 70 HG21 ILE 70 -6.267 -13.483 -3.275 335 HG22 ILE 70 HG22 ILE 70 -6.644 -11.905 -2.576 336 HG23 ILE 70 HG23 ILE 70 -6.719 -13.355 -1.575 337 HD11 ILE 70 HD11 ILE 70 -4.374 -9.906 -2.078 338 HD12 ILE 70 HD12 ILE 70 -4.933 -9.598 -0.435 339 HD13 ILE 70 HD13 ILE 70 -6.039 -10.277 -1.631 340 H ASP 71 HN ASP 71 -2.387 -13.148 -3.222 341 HA ASP 71 HA ASP 71 -0.221 -13.149 -1.250 342 HB2 ASP 71 HB2 ASP 71 -0.245 -15.233 -2.796 343 HB3 ASP 71 HB1 ASP 71 0.279 -14.126 -4.057 344 H THR 72 HN THR 72 1.679 -12.498 -3.416 345 HA THR 72 HA THR 72 1.644 -9.737 -3.249 346 HB THR 72 HB THR 72 2.975 -11.279 -5.475 347 HG1 THR 72 HG1 THR 72 3.478 -12.295 -3.516 348 HG21 THR 72 HG21 THR 72 4.746 -9.507 -5.033 349 HG22 THR 72 HG22 THR 72 3.518 -8.661 -4.097 350 HG23 THR 72 HG23 THR 72 3.266 -8.961 -5.815 351 HA PRO 73 HA PRO 73 0.007 -9.385 -7.815 352 HB2 PRO 73 HB2 PRO 73 -1.451 -11.561 -8.697 353 HB3 PRO 73 HB1 PRO 73 0.246 -11.256 -9.100 354 HG2 PRO 73 HG2 PRO 73 -0.890 -13.074 -7.044 355 HG3 PRO 73 HG1 PRO 73 0.488 -13.316 -8.136 356 HD2 PRO 73 HD2 PRO 73 0.845 -12.680 -5.557 357 HD3 PRO 73 HD1 PRO 73 1.918 -12.069 -6.834 358 H GLY 74 HN GLY 74 -1.862 -11.448 -5.619 359 HA2 GLY 74 HA2 GLY 74 -4.420 -10.489 -6.313 360 HA3 GLY 74 HA1 GLY 74 -4.001 -11.306 -4.818 361 H VAL 75 HN VAL 75 -2.221 -9.498 -3.687 362 HA VAL 75 HA VAL 75 -4.060 -7.631 -2.626 363 HB VAL 75 HB VAL 75 -2.118 -8.597 -1.364 364 HG11 VAL 75 HG11 VAL 75 -0.398 -8.193 -3.105 365 HG12 VAL 75 HG12 VAL 75 0.056 -7.607 -1.504 366 HG13 VAL 75 HG13 VAL 75 -0.493 -6.472 -2.737 367 HG21 VAL 75 HG21 VAL 75 -1.928 -6.761 0.077 368 HG22 VAL 75 HG22 VAL 75 -3.495 -6.565 -0.708 369 HG23 VAL 75 HG23 VAL 75 -2.115 -5.602 -1.236 370 H ILE 76 HN ILE 76 -1.453 -7.319 -4.989 371 HA ILE 76 HA ILE 76 -1.543 -4.503 -5.196 372 HB ILE 76 HB ILE 76 -0.625 -6.587 -7.188 373 HG12 ILE 76 HG12 ILE 76 0.935 -4.752 -5.351 374 HG13 ILE 76 HG11 ILE 76 0.643 -6.462 -5.067 375 HG21 ILE 76 HG21 ILE 76 -0.625 -3.603 -7.327 376 HG22 ILE 76 HG22 ILE 76 -1.006 -4.788 -8.575 377 HG23 ILE 76 HG23 ILE 76 0.670 -4.520 -8.097 378 HD11 ILE 76 HD11 ILE 76 1.801 -6.840 -7.307 379 HD12 ILE 76 HD12 ILE 76 2.797 -6.380 -5.927 380 HD13 ILE 76 HD13 ILE 76 2.366 -5.176 -7.144 381 H ARG 77 HN ARG 77 -3.169 -7.092 -6.978 382 HA ARG 77 HA ARG 77 -4.488 -5.487 -8.868 383 HB2 ARG 77 HB2 ARG 77 -4.245 -8.003 -8.891 384 HB3 ARG 77 HB1 ARG 77 -5.531 -8.068 -7.692 385 HG2 ARG 77 HG2 ARG 77 -6.987 -6.855 -9.333 386 HG3 ARG 77 HG1 ARG 77 -5.705 -7.081 -10.528 387 HD2 ARG 77 HD2 ARG 77 -7.263 -8.855 -10.824 388 HD3 ARG 77 HD1 ARG 77 -5.830 -9.536 -10.063 389 HE ARG 77 HE ARG 77 -8.370 -8.972 -8.687 390 HH11 ARG 77 HH11 ARG 77 -5.719 -11.790 -7.597 391 HH12 ARG 77 HH12 ARG 77 -5.355 -10.751 -8.938 392 HH21 ARG 77 HH21 ARG 77 -8.852 -10.352 -6.957 393 HH22 ARG 77 HH22 ARG 77 -7.714 -11.572 -6.474 394 H ARG 78 HN ARG 78 -5.353 -6.433 -5.586 395 HA ARG 78 HA ARG 78 -8.010 -5.442 -5.631 396 HB2 ARG 78 HB2 ARG 78 -6.101 -6.377 -3.576 397 HB3 ARG 78 HB1 ARG 78 -7.350 -5.280 -3.012 398 HG2 ARG 78 HG2 ARG 78 -8.096 -7.661 -4.647 399 HG3 ARG 78 HG1 ARG 78 -7.733 -7.837 -2.933 400 HD2 ARG 78 HD2 ARG 78 -9.405 -5.738 -2.827 401 HD3 ARG 78 HD1 ARG 78 -10.036 -6.557 -4.256 402 HE ARG 78 HE ARG 78 -9.591 -8.278 -1.966 403 HH11 ARG 78 HH11 ARG 78 -11.877 -6.203 -3.629 404 HH12 ARG 78 HH12 ARG 78 -13.274 -6.954 -2.929 405 HH21 ARG 78 HH21 ARG 78 -13.023 -8.711 -1.453 406 HH22 ARG 78 HH22 ARG 78 -11.431 -9.287 -1.035 407 H VAL 79 HN VAL 79 -4.974 -4.068 -4.390 408 HA VAL 79 HA VAL 79 -6.123 -1.627 -3.545 409 HB VAL 79 HB VAL 79 -3.239 -2.243 -4.188 410 HG11 VAL 79 HG11 VAL 79 -3.646 0.155 -4.230 411 HG12 VAL 79 HG12 VAL 79 -2.733 -0.285 -2.786 412 HG13 VAL 79 HG13 VAL 79 -4.456 0.060 -2.669 413 HG21 VAL 79 HG21 VAL 79 -3.036 -2.433 -1.726 414 HG22 VAL 79 HG22 VAL 79 -4.085 -3.663 -2.430 415 HG23 VAL 79 HG23 VAL 79 -4.786 -2.271 -1.604 416 H SER 80 HN SER 80 -4.822 -2.663 -6.637 417 HA SER 80 HA SER 80 -4.484 -0.135 -7.803 418 HB2 SER 80 HB2 SER 80 -5.228 -2.766 -9.105 419 HB3 SER 80 HB1 SER 80 -4.704 -1.323 -9.979 420 HG SER 80 HG SER 80 -3.237 -2.965 -8.208 421 H GLN 81 HN GLN 81 -7.319 -2.014 -7.170 422 HA GLN 81 HA GLN 81 -9.033 -0.389 -8.855 423 HB2 GLN 81 HB2 GLN 81 -9.403 -2.771 -7.082 424 HB3 GLN 81 HB1 GLN 81 -10.804 -1.801 -7.516 425 HG2 GLN 81 HG2 GLN 81 -8.931 -2.851 -9.594 426 HG3 GLN 81 HG1 GLN 81 -10.252 -3.829 -8.959 427 HE21 GLN 81 HE21 GLN 81 -9.380 -1.087 -10.876 428 HE22 GLN 81 HE22 GLN 81 -10.947 -0.799 -11.552 429 H LEU 82 HN LEU 82 -8.042 -0.612 -5.537 430 HA LEU 82 HA LEU 82 -10.111 1.067 -4.492 431 HB2 LEU 82 HB2 LEU 82 -8.852 -0.630 -3.172 432 HB3 LEU 82 HB1 LEU 82 -7.423 0.376 -3.318 433 HG LEU 82 HG LEU 82 -8.729 2.191 -2.130 434 HD11 LEU 82 HD11 LEU 82 -10.611 1.392 -0.729 435 HD12 LEU 82 HD12 LEU 82 -10.590 -0.123 -1.630 436 HD13 LEU 82 HD13 LEU 82 -10.967 1.388 -2.457 437 HD21 LEU 82 HD21 LEU 82 -7.013 0.922 -1.005 438 HD22 LEU 82 HD22 LEU 82 -8.148 -0.388 -0.688 439 HD23 LEU 82 HD23 LEU 82 -8.374 1.182 0.085 440 H PHE 83 HN PHE 83 -6.711 1.481 -5.388 441 HA PHE 83 HA PHE 83 -6.848 4.362 -4.947 442 HB2 PHE 83 HB2 PHE 83 -4.588 2.552 -5.832 443 HB3 PHE 83 HB1 PHE 83 -4.436 4.290 -5.643 444 HD1 PHE 83 HD1 PHE 83 -6.580 2.969 -3.129 445 HD2 PHE 83 HD2 PHE 83 -2.486 3.416 -4.208 446 HE1 PHE 83 HE1 PHE 83 -5.919 2.641 -0.782 447 HE2 PHE 83 HE2 PHE 83 -1.827 3.090 -1.859 448 HZ PHE 83 HZ PHE 83 -3.546 2.703 -0.147 449 H HIS 84 HN HIS 84 -8.584 3.485 -6.934 450 HA HIS 84 HA HIS 84 -7.463 3.552 -9.527 451 HB2 HIS 84 HB2 HIS 84 -9.760 3.815 -10.350 452 HB3 HIS 84 HB1 HIS 84 -9.642 2.548 -9.139 453 HD2 HIS 84 HD2 HIS 84 -10.765 3.267 -6.593 454 HE1 HIS 84 HE1 HIS 84 -13.112 6.346 -8.293 455 HE2 HIS 84 HE2 HIS 84 -12.750 4.902 -6.244 456 H GLU 85 HN GLU 85 -8.213 6.069 -7.311 457 HA GLU 85 HA GLU 85 -8.004 8.080 -9.437 458 HB2 GLU 85 HB2 GLU 85 -8.935 8.268 -6.571 459 HB3 GLU 85 HB1 GLU 85 -8.711 9.669 -7.602 460 HG2 GLU 85 HG2 GLU 85 -10.534 7.408 -8.336 461 HG3 GLU 85 HG1 GLU 85 -11.057 8.793 -7.378 462 H HIS 86 HN HIS 86 -5.935 6.390 -7.659 463 HA HIS 86 HA HIS 86 -4.060 8.632 -7.408 464 HB2 HIS 86 HB2 HIS 86 -4.558 6.485 -5.330 465 HB3 HIS 86 HB1 HIS 86 -3.168 7.564 -5.310 466 HD2 HIS 86 HD2 HIS 86 -3.574 9.969 -4.127 467 HE1 HIS 86 HE1 HIS 86 -7.768 9.594 -3.678 468 HE2 HIS 86 HE2 HIS 86 -5.733 11.000 -3.111 469 HA PRO 87 HA PRO 87 -2.382 4.963 -9.830 470 HB2 PRO 87 HB2 PRO 87 -1.184 6.571 -11.729 471 HB3 PRO 87 HB1 PRO 87 -2.806 5.878 -11.894 472 HG2 PRO 87 HG2 PRO 87 -1.999 8.617 -11.078 473 HG3 PRO 87 HG1 PRO 87 -3.360 8.094 -12.087 474 HD2 PRO 87 HD2 PRO 87 -3.693 8.820 -9.521 475 HD3 PRO 87 HD1 PRO 87 -4.674 7.547 -10.272 476 H ASP 88 HN ASP 88 -1.035 8.026 -8.768 477 HA ASP 88 HA ASP 88 1.699 7.529 -9.050 478 HB2 ASP 88 HB2 ASP 88 0.018 9.313 -7.396 479 HB3 ASP 88 HB1 ASP 88 1.642 9.024 -6.788 480 H LEU 89 HN LEU 89 -0.476 6.868 -6.350 481 HA LEU 89 HA LEU 89 1.464 5.801 -4.612 482 HB2 LEU 89 HB2 LEU 89 -1.509 5.277 -4.709 483 HB3 LEU 89 HB1 LEU 89 -0.448 4.863 -3.372 484 HG LEU 89 HG LEU 89 -1.116 7.646 -4.342 485 HD11 LEU 89 HD11 LEU 89 -2.097 7.840 -2.054 486 HD12 LEU 89 HD12 LEU 89 -1.886 6.097 -1.876 487 HD13 LEU 89 HD13 LEU 89 -2.946 6.734 -3.133 488 HD21 LEU 89 HD21 LEU 89 0.801 6.677 -2.227 489 HD22 LEU 89 HD22 LEU 89 0.168 8.322 -2.279 490 HD23 LEU 89 HD23 LEU 89 1.138 7.710 -3.617 491 H ILE 90 HN ILE 90 -0.548 4.330 -7.096 492 HA ILE 90 HA ILE 90 -0.079 1.630 -6.458 493 HB ILE 90 HB ILE 90 -0.674 2.906 -9.135 494 HG12 ILE 90 HG12 ILE 90 -2.505 1.490 -7.188 495 HG13 ILE 90 HG11 ILE 90 -2.374 3.238 -7.346 496 HG21 ILE 90 HG21 ILE 90 0.353 0.683 -9.380 497 HG22 ILE 90 HG22 ILE 90 -1.331 0.702 -9.900 498 HG23 ILE 90 HG23 ILE 90 -0.899 0.005 -8.339 499 HD11 ILE 90 HD11 ILE 90 -3.079 2.993 -9.732 500 HD12 ILE 90 HD12 ILE 90 -4.303 2.536 -8.545 501 HD13 ILE 90 HD13 ILE 90 -3.391 1.289 -9.397 502 H VAL 91 HN VAL 91 1.604 3.835 -8.686 503 HA VAL 91 HA VAL 91 3.546 1.916 -9.507 504 HB VAL 91 HB VAL 91 3.772 4.925 -9.605 505 HG11 VAL 91 HG11 VAL 91 5.845 3.465 -9.950 506 HG12 VAL 91 HG12 VAL 91 5.469 4.660 -11.189 507 HG13 VAL 91 HG13 VAL 91 5.080 2.963 -11.460 508 HG21 VAL 91 HG21 VAL 91 2.811 3.123 -11.805 509 HG22 VAL 91 HG22 VAL 91 2.778 4.886 -11.745 510 HG23 VAL 91 HG23 VAL 91 1.722 3.946 -10.692 511 H GLY 92 HN GLY 92 3.521 4.513 -7.095 512 HA2 GLY 92 HA2 GLY 92 6.190 4.361 -6.288 513 HA3 GLY 92 HA1 GLY 92 4.864 4.935 -5.292 514 H PHE 93 HN PHE 93 3.361 2.617 -5.061 515 HA PHE 93 HA PHE 93 4.665 1.321 -2.942 516 HB2 PHE 93 HB2 PHE 93 2.229 1.446 -3.141 517 HB3 PHE 93 HB1 PHE 93 2.284 0.387 -4.545 518 HD1 PHE 93 HD1 PHE 93 3.134 0.519 -0.930 519 HD2 PHE 93 HD2 PHE 93 2.155 -1.920 -4.279 520 HE1 PHE 93 HE1 PHE 93 2.956 -1.437 0.551 521 HE2 PHE 93 HE2 PHE 93 1.979 -3.875 -2.804 522 HZ PHE 93 HZ PHE 93 2.384 -3.639 -0.390 523 H ASN 94 HN ASN 94 4.389 0.514 -6.339 524 HA ASN 94 HA ASN 94 5.211 -2.157 -6.272 525 HB2 ASN 94 HB2 ASN 94 5.297 0.002 -8.342 526 HB3 ASN 94 HB1 ASN 94 6.184 -1.487 -8.638 527 HD21 ASN 94 HD21 ASN 94 3.981 -0.485 -10.128 528 HD22 ASN 94 HD22 ASN 94 2.703 -1.641 -10.004 529 H ALA 95 HN ALA 95 7.084 0.827 -6.301 530 HA ALA 95 HA ALA 95 9.586 -0.659 -6.394 531 HB1 ALA 95 HB1 ALA 95 9.026 2.307 -6.370 532 HB2 ALA 95 HB2 ALA 95 9.472 1.317 -7.762 533 HB3 ALA 95 HB3 ALA 95 10.632 1.587 -6.462 534 H PHE 96 HN PHE 96 7.498 0.777 -4.074 535 HA PHE 96 HA PHE 96 9.441 1.334 -2.078 536 HB2 PHE 96 HB2 PHE 96 6.977 2.155 -2.247 537 HB3 PHE 96 HB1 PHE 96 6.593 0.649 -1.421 538 HD1 PHE 96 HD1 PHE 96 7.897 3.993 -1.081 539 HD2 PHE 96 HD2 PHE 96 7.528 0.220 0.854 540 HE1 PHE 96 HE1 PHE 96 8.439 5.046 1.075 541 HE2 PHE 96 HE2 PHE 96 8.063 1.266 3.012 542 HZ PHE 96 HZ PHE 96 8.521 3.687 3.126 543 H LEU 97 HN LEU 97 7.566 -1.512 -2.902 544 HA LEU 97 HA LEU 97 8.237 -2.960 -0.538 545 HB2 LEU 97 HB2 LEU 97 7.089 -3.740 -3.193 546 HB3 LEU 97 HB1 LEU 97 7.573 -4.971 -2.039 547 HG LEU 97 HG LEU 97 5.365 -2.947 -1.819 548 HD11 LEU 97 HD11 LEU 97 4.667 -4.980 -2.775 549 HD12 LEU 97 HD12 LEU 97 4.171 -5.051 -1.084 550 HD13 LEU 97 HD13 LEU 97 5.599 -5.934 -1.622 551 HD21 LEU 97 HD21 LEU 97 5.085 -3.838 0.535 552 HD22 LEU 97 HD22 LEU 97 6.398 -2.689 0.288 553 HD23 LEU 97 HD23 LEU 97 6.746 -4.415 0.417 554 HA PRO 98 HA PRO 98 12.362 -4.075 -1.792 555 HB2 PRO 98 HB2 PRO 98 13.020 -5.454 0.431 556 HB3 PRO 98 HB1 PRO 98 12.866 -3.686 0.446 557 HG2 PRO 98 HG2 PRO 98 10.942 -5.756 1.384 558 HG3 PRO 98 HG1 PRO 98 11.388 -4.203 2.123 559 HD2 PRO 98 HD2 PRO 98 9.112 -4.590 0.634 560 HD3 PRO 98 HD1 PRO 98 9.920 -3.024 0.828 561 H SER 99 HN SER 99 9.779 -6.217 -1.026 562 HA SER 99 HA SER 99 11.062 -8.698 -1.484 563 HB2 SER 99 HB2 SER 99 8.202 -8.606 -2.095 564 HB3 SER 99 HB1 SER 99 9.060 -9.533 -0.861 565 HG SER 99 HG SER 99 7.512 -7.641 -0.299 566 H GLY 100 HN GLY 100 11.533 -9.738 -3.330 567 HA2 GLY 100 HA2 GLY 100 10.191 -9.859 -5.691 568 HA3 GLY 100 HA1 GLY 100 11.146 -8.393 -5.839 569 HA PRO 101 HA PRO 101 14.186 -11.449 -7.135 570 HB2 PRO 101 HB2 PRO 101 15.494 -9.899 -8.867 571 HB3 PRO 101 HB1 PRO 101 13.864 -10.498 -9.241 572 HG2 PRO 101 HG2 PRO 101 14.723 -7.793 -8.363 573 HG3 PRO 101 HG1 PRO 101 13.445 -8.263 -9.496 574 HD2 PRO 101 HD2 PRO 101 13.076 -7.572 -6.806 575 HD3 PRO 101 HD1 PRO 101 11.893 -8.384 -7.850 576 H SER 102 HN SER 102 14.354 -9.503 -4.794 577 HA SER 102 HA SER 102 16.994 -8.460 -4.732 578 HB2 SER 102 HB2 SER 102 16.259 -8.524 -2.130 579 HB3 SER 102 HB1 SER 102 15.721 -7.286 -3.265 580 HG SER 102 HG SER 102 13.856 -7.991 -2.465 581 H SER 103 HN SER 103 18.537 -9.054 -2.962 582 HA SER 103 HA SER 103 19.416 -11.691 -3.290 583 HB2 SER 103 HB2 SER 103 20.594 -10.689 -0.944 584 HB3 SER 103 HB1 SER 103 21.254 -10.625 -2.578 585 HG SER 103 HG SER 103 21.064 -8.540 -2.367 586 H GLY 104 HN GLY 104 18.330 -13.417 -2.565 587 HA2 GLY 104 HA2 GLY 104 17.721 -14.916 -0.872 588 HA3 GLY 104 HA1 GLY 104 17.797 -13.602 0.287 Start of MODEL 4 1 H1 GLY 25 HN GLY 25 13.247 22.479 -5.487 2 HA2 GLY 25 HA2 GLY 25 15.515 21.152 -6.238 3 HA3 GLY 25 HA1 GLY 25 15.406 20.863 -4.510 4 H SER 26 HN SER 26 15.269 18.596 -5.532 5 HA SER 26 HA SER 26 12.602 17.945 -6.500 6 HB2 SER 26 HB2 SER 26 14.640 15.838 -5.922 7 HB3 SER 26 HB1 SER 26 13.513 15.967 -7.274 8 HG SER 26 HG SER 26 15.872 16.371 -7.651 9 H SER 27 HN SER 27 11.073 16.887 -5.325 10 HA SER 27 HA SER 27 11.448 16.764 -2.463 11 HB2 SER 27 HB2 SER 27 8.998 15.833 -3.960 12 HB3 SER 27 HB1 SER 27 9.106 16.494 -2.328 13 HG SER 27 HG SER 27 9.966 18.447 -3.570 14 H GLY 28 HN GLY 28 12.868 15.092 -2.069 15 HA2 GLY 28 HA2 GLY 28 11.704 12.436 -2.305 16 HA3 GLY 28 HA1 GLY 28 13.250 12.683 -3.102 17 H SER 29 HN SER 29 12.186 11.152 -0.649 18 HA SER 29 HA SER 29 14.293 12.048 1.196 19 HB2 SER 29 HB2 SER 29 11.886 10.459 2.062 20 HB3 SER 29 HB1 SER 29 12.979 11.430 3.048 21 HG SER 29 HG SER 29 11.062 12.358 1.173 22 H SER 30 HN SER 30 15.815 10.748 0.112 23 HA SER 30 HA SER 30 15.433 7.916 -0.112 24 HB2 SER 30 HB2 SER 30 17.962 9.558 -0.425 25 HB3 SER 30 HB1 SER 30 17.735 7.886 -0.943 26 HG SER 30 HG SER 30 17.107 8.764 -2.747 27 H GLY 31 HN GLY 31 16.483 6.301 1.061 28 HA2 GLY 31 HA2 GLY 31 18.123 5.719 2.796 29 HA3 GLY 31 HA1 GLY 31 17.629 7.184 3.638 30 H VAL 32 HN VAL 32 16.519 4.005 2.574 31 HA VAL 32 HA VAL 32 14.207 4.156 4.331 32 HB VAL 32 HB VAL 32 13.627 1.932 3.467 33 HG11 VAL 32 HG11 VAL 32 13.383 2.599 1.035 34 HG12 VAL 32 HG12 VAL 32 14.281 4.059 1.449 35 HG13 VAL 32 HG13 VAL 32 12.734 3.727 2.226 36 HG21 VAL 32 HG21 VAL 32 16.237 2.171 1.984 37 HG22 VAL 32 HG22 VAL 32 14.972 1.022 1.552 38 HG23 VAL 32 HG23 VAL 32 15.756 0.920 3.129 39 H HIS 33 HN HIS 33 13.759 2.423 5.855 40 HA HIS 33 HA HIS 33 16.218 1.501 7.180 41 HB2 HIS 33 HB2 HIS 33 13.736 2.728 8.207 42 HB3 HIS 33 HB1 HIS 33 14.327 1.345 9.125 43 HD2 HIS 33 HD2 HIS 33 15.888 4.745 7.844 44 HE1 HIS 33 HE1 HIS 33 17.534 3.649 11.579 45 HE2 HIS 33 HE2 HIS 33 17.520 5.407 9.754 46 H VAL 34 HN VAL 34 15.668 -0.463 8.682 47 HA VAL 34 HA VAL 34 14.827 -2.584 6.996 48 HB VAL 34 HB VAL 34 14.970 -3.994 9.078 49 HG11 VAL 34 HG11 VAL 34 16.891 -3.867 7.698 50 HG12 VAL 34 HG12 VAL 34 17.450 -3.635 9.355 51 HG13 VAL 34 HG13 VAL 34 17.284 -2.250 8.277 52 HG21 VAL 34 HG21 VAL 34 15.810 -1.384 10.336 53 HG22 VAL 34 HG22 VAL 34 15.965 -2.970 11.086 54 HG23 VAL 34 HG23 VAL 34 14.365 -2.317 10.733 55 H GLU 35 HN GLU 35 13.300 -0.667 9.452 56 HA GLU 35 HA GLU 35 10.779 -2.128 9.072 57 HB2 GLU 35 HB2 GLU 35 11.826 -2.018 11.391 58 HB3 GLU 35 HB1 GLU 35 11.500 -0.293 11.360 59 HG2 GLU 35 HG2 GLU 35 9.137 -0.683 11.258 60 HG3 GLU 35 HG1 GLU 35 9.390 -2.418 11.086 61 H ASP 36 HN ASP 36 10.447 -0.918 7.118 62 HA ASP 36 HA ASP 36 9.580 1.847 7.641 63 HB2 ASP 36 HB2 ASP 36 10.331 2.536 5.483 64 HB3 ASP 36 HB1 ASP 36 11.665 1.680 6.242 65 H ALA 37 HN ALA 37 8.462 -1.137 7.066 66 HA ALA 37 HA ALA 37 6.656 -0.875 4.946 67 HB1 ALA 37 HB1 ALA 37 6.141 -2.508 7.420 68 HB2 ALA 37 HB2 ALA 37 7.308 -2.984 6.186 69 HB3 ALA 37 HB3 ALA 37 5.603 -2.820 5.769 70 H LEU 38 HN LEU 38 6.181 -0.339 8.412 71 HA LEU 38 HA LEU 38 3.484 0.488 8.237 72 HB2 LEU 38 HB2 LEU 38 3.632 1.008 10.522 73 HB3 LEU 38 HB1 LEU 38 4.708 -0.355 10.280 74 HG LEU 38 HG LEU 38 5.699 2.491 10.380 75 HD11 LEU 38 HD11 LEU 38 4.633 2.134 12.482 76 HD12 LEU 38 HD12 LEU 38 6.367 1.924 12.728 77 HD13 LEU 38 HD13 LEU 38 5.313 0.515 12.617 78 HD21 LEU 38 HD21 LEU 38 7.234 0.890 9.378 79 HD22 LEU 38 HD22 LEU 38 7.062 -0.173 10.776 80 HD23 LEU 38 HD23 LEU 38 7.829 1.407 10.953 81 H THR 39 HN THR 39 6.258 2.061 7.224 82 HA THR 39 HA THR 39 5.583 4.732 7.946 83 HB THR 39 HB THR 39 7.435 3.785 5.757 84 HG1 THR 39 HG1 THR 39 7.617 3.703 8.479 85 HG21 THR 39 HG21 THR 39 7.082 6.430 7.142 86 HG22 THR 39 HG22 THR 39 7.041 6.089 5.412 87 HG23 THR 39 HG23 THR 39 8.567 6.001 6.297 88 H TYR 40 HN TYR 40 4.981 2.687 5.111 89 HA TYR 40 HA TYR 40 3.901 4.836 3.555 90 HB2 TYR 40 HB2 TYR 40 4.866 2.505 2.788 91 HB3 TYR 40 HB1 TYR 40 3.197 1.987 2.994 92 HD1 TYR 40 HD1 TYR 40 1.457 2.774 1.501 93 HD2 TYR 40 HD2 TYR 40 5.468 4.110 1.060 94 HE1 TYR 40 HE1 TYR 40 0.920 3.647 -0.735 95 HE2 TYR 40 HE2 TYR 40 4.947 4.987 -1.179 96 HH TYR 40 HH TYR 40 1.735 5.275 -2.325 97 H LEU 41 HN LEU 41 2.631 2.537 5.852 98 HA LEU 41 HA LEU 41 -0.089 2.643 5.239 99 HB2 LEU 41 HB2 LEU 41 1.137 1.150 6.926 100 HB3 LEU 41 HB1 LEU 41 1.027 2.493 8.040 101 HG LEU 41 HG LEU 41 -0.735 0.542 8.074 102 HD11 LEU 41 HD11 LEU 41 -2.454 2.259 8.852 103 HD12 LEU 41 HD12 LEU 41 -1.221 3.464 8.484 104 HD13 LEU 41 HD13 LEU 41 -0.898 2.213 9.684 105 HD21 LEU 41 HD21 LEU 41 -1.375 0.839 5.699 106 HD22 LEU 41 HD22 LEU 41 -2.007 2.436 6.105 107 HD23 LEU 41 HD23 LEU 41 -2.731 0.994 6.815 108 H ASP 42 HN ASP 42 1.905 4.718 7.281 109 HA ASP 42 HA ASP 42 -0.170 6.392 8.198 110 HB2 ASP 42 HB2 ASP 42 2.115 6.232 9.203 111 HB3 ASP 42 HB1 ASP 42 2.734 7.146 7.831 112 H GLN 43 HN GLN 43 2.006 6.595 5.434 113 HA GLN 43 HA GLN 43 1.254 9.136 4.518 114 HB2 GLN 43 HB2 GLN 43 2.325 6.728 3.050 115 HB3 GLN 43 HB1 GLN 43 2.096 8.295 2.284 116 HG2 GLN 43 HG2 GLN 43 3.836 7.821 4.693 117 HG3 GLN 43 HG1 GLN 43 4.421 7.876 3.028 118 HE21 GLN 43 HE21 GLN 43 4.480 9.832 1.955 119 HE22 GLN 43 HE22 GLN 43 4.353 11.346 2.782 120 H VAL 44 HN VAL 44 -0.118 5.945 3.927 121 HA VAL 44 HA VAL 44 -1.968 6.721 1.920 122 HB VAL 44 HB VAL 44 -1.990 4.392 3.860 123 HG11 VAL 44 HG11 VAL 44 -3.865 5.006 1.578 124 HG12 VAL 44 HG12 VAL 44 -4.281 4.772 3.277 125 HG13 VAL 44 HG13 VAL 44 -3.703 3.413 2.312 126 HG21 VAL 44 HG21 VAL 44 -1.378 4.550 0.909 127 HG22 VAL 44 HG22 VAL 44 -1.358 3.084 1.890 128 HG23 VAL 44 HG23 VAL 44 -0.192 4.372 2.199 129 H LYS 45 HN LYS 45 -2.124 6.531 5.437 130 HA LYS 45 HA LYS 45 -4.866 7.205 5.658 131 HB2 LYS 45 HB2 LYS 45 -4.481 6.608 7.773 132 HB3 LYS 45 HB1 LYS 45 -2.774 6.454 7.402 133 HG2 LYS 45 HG2 LYS 45 -2.411 8.784 8.032 134 HG3 LYS 45 HG1 LYS 45 -4.134 8.958 8.375 135 HD2 LYS 45 HD2 LYS 45 -3.970 7.257 10.116 136 HD3 LYS 45 HD1 LYS 45 -2.252 7.052 9.763 137 HE2 LYS 45 HE2 LYS 45 -3.629 9.488 10.870 138 HE3 LYS 45 HE1 LYS 45 -2.439 8.472 11.680 139 HZ1 LYS 45 HZ1 LYS 45 -1.424 10.504 10.894 140 HZ2 LYS 45 HZ2 LYS 45 -1.935 10.198 9.311 141 HZ3 LYS 45 HZ3 LYS 45 -0.789 9.185 10.041 142 H ILE 46 HN ILE 46 -1.957 9.081 5.320 143 HA ILE 46 HA ILE 46 -3.116 11.572 6.107 144 HB ILE 46 HB ILE 46 -0.587 10.944 4.572 145 HG12 ILE 46 HG12 ILE 46 -1.026 11.958 7.392 146 HG13 ILE 46 HG11 ILE 46 -0.649 10.294 6.968 147 HG21 ILE 46 HG21 ILE 46 -1.475 13.148 3.918 148 HG22 ILE 46 HG22 ILE 46 0.043 13.272 4.805 149 HG23 ILE 46 HG23 ILE 46 -1.481 13.634 5.615 150 HD11 ILE 46 HD11 ILE 46 1.513 10.941 6.146 151 HD12 ILE 46 HD12 ILE 46 1.298 11.568 7.781 152 HD13 ILE 46 HD13 ILE 46 1.134 12.645 6.395 153 H ARG 47 HN ARG 47 -2.353 10.055 2.987 154 HA ARG 47 HA ARG 47 -3.263 12.167 1.375 155 HB2 ARG 47 HB2 ARG 47 -2.666 9.285 0.962 156 HB3 ARG 47 HB1 ARG 47 -3.626 10.094 -0.269 157 HG2 ARG 47 HG2 ARG 47 -0.927 11.027 0.688 158 HG3 ARG 47 HG1 ARG 47 -1.205 10.059 -0.762 159 HD2 ARG 47 HD2 ARG 47 -2.768 11.913 -1.518 160 HD3 ARG 47 HD1 ARG 47 -2.104 12.875 -0.197 161 HE ARG 47 HE ARG 47 -0.117 11.745 -1.951 162 HH11 ARG 47 HH11 ARG 47 -1.284 15.569 -2.314 163 HH12 ARG 47 HH12 ARG 47 -2.244 14.457 -1.395 164 HH21 ARG 47 HH21 ARG 47 1.137 13.186 -3.201 165 HH22 ARG 47 HH22 ARG 47 0.643 14.844 -3.344 166 H PHE 48 HN PHE 48 -4.948 9.478 2.864 167 HA PHE 48 HA PHE 48 -7.440 10.395 1.611 168 HB2 PHE 48 HB2 PHE 48 -6.658 7.734 2.811 169 HB3 PHE 48 HB1 PHE 48 -8.320 8.141 2.387 170 HD1 PHE 48 HD1 PHE 48 -8.996 8.344 0.078 171 HD2 PHE 48 HD2 PHE 48 -4.988 7.363 1.102 172 HE1 PHE 48 HE1 PHE 48 -8.571 7.665 -2.246 173 HE2 PHE 48 HE2 PHE 48 -4.557 6.674 -1.216 174 HZ PHE 48 HZ PHE 48 -6.357 6.825 -2.897 175 H GLY 49 HN GLY 49 -6.384 11.920 3.659 176 HA2 GLY 49 HA2 GLY 49 -7.436 11.222 6.211 177 HA3 GLY 49 HA1 GLY 49 -6.856 12.806 5.724 178 H SER 50 HN SER 50 -8.757 12.838 3.429 179 HA SER 50 HA SER 50 -11.111 13.679 4.961 180 HB2 SER 50 HB2 SER 50 -9.909 15.309 3.442 181 HB3 SER 50 HB1 SER 50 -10.456 14.339 2.079 182 HG SER 50 HG SER 50 -12.639 14.682 3.006 183 H ASP 51 HN ASP 51 -10.135 10.987 3.557 184 HA ASP 51 HA ASP 51 -12.839 10.233 2.722 185 HB2 ASP 51 HB2 ASP 51 -11.372 10.683 0.707 186 HB3 ASP 51 HB1 ASP 51 -10.379 9.323 1.220 187 HA PRO 52 HA PRO 52 -11.187 7.256 5.785 188 HB2 PRO 52 HB2 PRO 52 -13.527 6.905 7.115 189 HB3 PRO 52 HB1 PRO 52 -12.454 8.283 7.422 190 HG2 PRO 52 HG2 PRO 52 -14.952 8.174 5.815 191 HG3 PRO 52 HG1 PRO 52 -14.376 9.434 6.924 192 HD2 PRO 52 HD2 PRO 52 -14.153 9.605 4.210 193 HD3 PRO 52 HD1 PRO 52 -13.048 10.411 5.341 194 H ALA 53 HN ALA 53 -13.692 7.148 3.429 195 HA ALA 53 HA ALA 53 -14.573 4.481 3.823 196 HB1 ALA 53 HB1 ALA 53 -15.924 6.053 2.578 197 HB2 ALA 53 HB2 ALA 53 -15.499 4.696 1.533 198 HB3 ALA 53 HB3 ALA 53 -14.654 6.234 1.371 199 H THR 54 HN THR 54 -12.219 5.913 1.569 200 HA THR 54 HA THR 54 -11.488 3.443 0.381 201 HB THR 54 HB THR 54 -9.655 5.829 0.540 202 HG1 THR 54 HG1 THR 54 -11.701 6.636 -0.064 203 HG21 THR 54 HG21 THR 54 -8.962 5.118 -1.662 204 HG22 THR 54 HG22 THR 54 -10.196 3.860 -1.682 205 HG23 THR 54 HG23 THR 54 -8.850 3.750 -0.550 206 H TYR 55 HN TYR 55 -10.356 5.191 3.203 207 HA TYR 55 HA TYR 55 -7.986 3.687 3.607 208 HB2 TYR 55 HB2 TYR 55 -8.486 5.920 4.667 209 HB3 TYR 55 HB1 TYR 55 -9.590 5.085 5.757 210 HD1 TYR 55 HD1 TYR 55 -6.099 4.553 4.518 211 HD2 TYR 55 HD2 TYR 55 -8.720 4.728 7.860 212 HE1 TYR 55 HE1 TYR 55 -4.211 4.061 6.017 213 HE2 TYR 55 HE2 TYR 55 -6.847 4.236 9.365 214 HH TYR 55 HH TYR 55 -4.625 3.166 9.248 215 H ASN 56 HN ASN 56 -11.290 3.343 4.806 216 HA ASN 56 HA ASN 56 -10.792 1.216 6.571 217 HB2 ASN 56 HB2 ASN 56 -13.040 2.672 5.770 218 HB3 ASN 56 HB1 ASN 56 -13.396 1.007 5.314 219 HD21 ASN 56 HD21 ASN 56 -14.730 2.497 7.318 220 HD22 ASN 56 HD22 ASN 56 -14.455 1.705 8.832 221 H GLY 57 HN GLY 57 -11.523 1.296 3.129 222 HA2 GLY 57 HA2 GLY 57 -11.854 -1.495 2.771 223 HA3 GLY 57 HA1 GLY 57 -11.458 -0.334 1.510 224 H PHE 58 HN PHE 58 -9.040 0.599 2.805 225 HA PHE 58 HA PHE 58 -7.172 -1.180 1.677 226 HB2 PHE 58 HB2 PHE 58 -6.865 1.307 2.148 227 HB3 PHE 58 HB1 PHE 58 -6.555 0.861 3.825 228 HD1 PHE 58 HD1 PHE 58 -4.464 0.049 4.494 229 HD2 PHE 58 HD2 PHE 58 -5.354 0.472 0.359 230 HE1 PHE 58 HE1 PHE 58 -2.094 -0.333 3.953 231 HE2 PHE 58 HE2 PHE 58 -2.988 0.089 -0.203 232 HZ PHE 58 HZ PHE 58 -1.347 -0.313 1.603 233 H LEU 59 HN LEU 59 -8.250 -0.677 5.004 234 HA LEU 59 HA LEU 59 -6.446 -2.508 6.201 235 HB2 LEU 59 HB2 LEU 59 -9.179 -1.726 7.210 236 HB3 LEU 59 HB1 LEU 59 -7.839 -2.342 8.159 237 HG LEU 59 HG LEU 59 -7.756 0.298 6.697 238 HD11 LEU 59 HD11 LEU 59 -9.556 0.213 8.424 239 HD12 LEU 59 HD12 LEU 59 -8.280 1.384 8.757 240 HD13 LEU 59 HD13 LEU 59 -8.319 -0.151 9.626 241 HD21 LEU 59 HD21 LEU 59 -6.056 -0.813 8.928 242 HD22 LEU 59 HD22 LEU 59 -5.859 0.755 8.143 243 HD23 LEU 59 HD23 LEU 59 -5.589 -0.729 7.230 244 H GLU 60 HN GLU 60 -9.648 -2.821 4.811 245 HA GLU 60 HA GLU 60 -10.218 -5.426 5.667 246 HB2 GLU 60 HB2 GLU 60 -11.145 -3.738 3.370 247 HB3 GLU 60 HB1 GLU 60 -11.651 -5.418 3.489 248 HG2 GLU 60 HG2 GLU 60 -12.128 -3.265 5.538 249 HG3 GLU 60 HG1 GLU 60 -13.319 -3.935 4.421 250 H ILE 61 HN ILE 61 -8.560 -4.220 2.792 251 HA ILE 61 HA ILE 61 -8.199 -6.737 1.549 252 HB ILE 61 HB ILE 61 -6.638 -4.165 1.270 253 HG12 ILE 61 HG12 ILE 61 -8.656 -5.369 -0.634 254 HG13 ILE 61 HG11 ILE 61 -9.116 -4.246 0.642 255 HG21 ILE 61 HG21 ILE 61 -5.836 -5.139 -0.875 256 HG22 ILE 61 HG22 ILE 61 -6.527 -6.683 -0.380 257 HG23 ILE 61 HG23 ILE 61 -5.219 -5.961 0.557 258 HD11 ILE 61 HD11 ILE 61 -7.194 -3.674 -1.602 259 HD12 ILE 61 HD12 ILE 61 -7.669 -2.548 -0.331 260 HD13 ILE 61 HD13 ILE 61 -8.864 -3.120 -1.494 261 H MET 62 HN MET 62 -6.307 -4.911 3.901 262 HA MET 62 HA MET 62 -3.975 -6.487 3.816 263 HB2 MET 62 HB2 MET 62 -5.168 -4.681 5.894 264 HB3 MET 62 HB1 MET 62 -3.764 -5.663 6.282 265 HG2 MET 62 HG2 MET 62 -2.675 -4.643 4.222 266 HG3 MET 62 HG1 MET 62 -3.992 -3.472 4.252 267 HE1 MET 62 HE1 MET 62 -1.982 -5.038 7.460 268 HE2 MET 62 HE2 MET 62 -0.617 -3.928 7.328 269 HE3 MET 62 HE3 MET 62 -1.002 -5.017 5.994 270 H LYS 63 HN LYS 63 -7.016 -6.895 5.495 271 HA LYS 63 HA LYS 63 -6.249 -8.930 7.267 272 HB2 LYS 63 HB2 LYS 63 -8.925 -8.312 6.019 273 HB3 LYS 63 HB1 LYS 63 -8.699 -9.504 7.290 274 HG2 LYS 63 HG2 LYS 63 -8.014 -7.838 8.846 275 HG3 LYS 63 HG1 LYS 63 -7.929 -6.611 7.582 276 HD2 LYS 63 HD2 LYS 63 -10.374 -6.833 7.248 277 HD3 LYS 63 HD1 LYS 63 -10.424 -7.992 8.575 278 HE2 LYS 63 HE2 LYS 63 -9.580 -6.277 10.103 279 HE3 LYS 63 HE1 LYS 63 -9.530 -5.125 8.772 280 HZ1 LYS 63 HZ1 LYS 63 -11.933 -5.328 8.544 281 HZ2 LYS 63 HZ2 LYS 63 -11.515 -4.833 10.112 282 HZ3 LYS 63 HZ3 LYS 63 -11.976 -6.436 9.826 283 H GLU 64 HN GLU 64 -7.353 -9.025 3.917 284 HA GLU 64 HA GLU 64 -7.572 -11.847 3.709 285 HB2 GLU 64 HB2 GLU 64 -7.062 -9.725 1.618 286 HB3 GLU 64 HB1 GLU 64 -7.353 -11.416 1.237 287 HG2 GLU 64 HG2 GLU 64 -9.561 -11.248 2.297 288 HG3 GLU 64 HG1 GLU 64 -9.263 -9.536 2.603 289 H PHE 65 HN PHE 65 -4.971 -9.547 3.274 290 HA PHE 65 HA PHE 65 -3.064 -11.360 2.209 291 HB2 PHE 65 HB2 PHE 65 -3.017 -8.817 2.107 292 HB3 PHE 65 HB1 PHE 65 -2.466 -8.847 3.776 293 HD1 PHE 65 HD1 PHE 65 -0.206 -8.904 4.212 294 HD2 PHE 65 HD2 PHE 65 -1.623 -10.235 0.429 295 HE1 PHE 65 HE1 PHE 65 2.116 -9.131 3.431 296 HE2 PHE 65 HE2 PHE 65 0.693 -10.472 -0.360 297 HZ PHE 65 HZ PHE 65 2.569 -9.918 1.142 298 H LYS 66 HN LYS 66 -3.761 -10.176 5.474 299 HA LYS 66 HA LYS 66 -1.678 -11.519 6.815 300 HB2 LYS 66 HB2 LYS 66 -4.379 -10.589 7.793 301 HB3 LYS 66 HB1 LYS 66 -3.110 -11.190 8.848 302 HG2 LYS 66 HG2 LYS 66 -1.726 -9.343 8.416 303 HG3 LYS 66 HG1 LYS 66 -2.678 -8.864 7.008 304 HD2 LYS 66 HD2 LYS 66 -3.265 -7.358 8.729 305 HD3 LYS 66 HD1 LYS 66 -4.606 -8.492 8.597 306 HE2 LYS 66 HE2 LYS 66 -4.285 -8.341 10.888 307 HE3 LYS 66 HE1 LYS 66 -3.396 -9.798 10.456 308 HZ1 LYS 66 HZ1 LYS 66 -1.348 -8.553 10.500 309 HZ2 LYS 66 HZ2 LYS 66 -2.158 -8.356 11.970 310 HZ3 LYS 66 HZ3 LYS 66 -2.180 -7.118 10.823 311 H SER 67 HN SER 67 -4.950 -12.506 5.961 312 HA SER 67 HA SER 67 -4.762 -14.991 7.426 313 HB2 SER 67 HB2 SER 67 -6.853 -14.195 5.393 314 HB3 SER 67 HB1 SER 67 -6.998 -15.414 6.656 315 HG SER 67 HG SER 67 -6.735 -12.609 7.016 316 H GLN 68 HN GLN 68 -3.255 -14.029 4.763 317 HA GLN 68 HA GLN 68 -2.246 -15.021 2.994 318 HB2 GLN 68 HB2 GLN 68 -2.843 -17.493 4.626 319 HB3 GLN 68 HB1 GLN 68 -1.872 -17.507 3.160 320 HG2 GLN 68 HG2 GLN 68 -0.290 -15.957 4.201 321 HG3 GLN 68 HG1 GLN 68 -1.255 -15.977 5.674 322 HE21 GLN 68 HE21 GLN 68 -1.293 -17.825 6.951 323 HE22 GLN 68 HE22 GLN 68 -0.085 -19.056 6.806 324 H SER 69 HN SER 69 -5.163 -14.568 2.907 325 HA SER 69 HA SER 69 -6.307 -16.752 1.442 326 HB2 SER 69 HB2 SER 69 -7.298 -13.894 1.532 327 HB3 SER 69 HB1 SER 69 -8.233 -15.346 1.182 328 HG SER 69 HG SER 69 -7.638 -16.021 3.382 329 H ILE 70 HN ILE 70 -4.786 -13.682 0.669 330 HA ILE 70 HA ILE 70 -4.765 -14.454 -2.178 331 HB ILE 70 HB ILE 70 -4.627 -12.012 -2.706 332 HG12 ILE 70 HG12 ILE 70 -5.458 -11.675 0.191 333 HG13 ILE 70 HG11 ILE 70 -3.866 -11.282 -0.455 334 HG21 ILE 70 HG21 ILE 70 -6.717 -13.298 -2.891 335 HG22 ILE 70 HG22 ILE 70 -7.016 -11.615 -2.463 336 HG23 ILE 70 HG23 ILE 70 -7.116 -12.868 -1.227 337 HD11 ILE 70 HD11 ILE 70 -4.855 -9.583 -1.883 338 HD12 ILE 70 HD12 ILE 70 -5.260 -9.307 -0.189 339 HD13 ILE 70 HD13 ILE 70 -6.461 -9.996 -1.285 340 H ASP 71 HN ASP 71 -2.897 -13.728 -3.374 341 HA ASP 71 HA ASP 71 -0.514 -13.630 -1.660 342 HB2 ASP 71 HB2 ASP 71 -1.100 -14.918 -4.268 343 HB3 ASP 71 HB1 ASP 71 0.512 -14.244 -4.075 344 H THR 72 HN THR 72 1.310 -12.812 -3.622 345 HA THR 72 HA THR 72 1.231 -10.062 -3.386 346 HB THR 72 HB THR 72 2.726 -10.714 -5.728 347 HG1 THR 72 HG1 THR 72 4.008 -12.366 -4.248 348 HG21 THR 72 HG21 THR 72 4.625 -10.194 -4.259 349 HG22 THR 72 HG22 THR 72 3.563 -10.282 -2.855 350 HG23 THR 72 HG23 THR 72 3.324 -9.020 -4.063 351 HA PRO 73 HA PRO 73 -0.266 -9.633 -8.014 352 HB2 PRO 73 HB2 PRO 73 -1.679 -11.809 -8.967 353 HB3 PRO 73 HB1 PRO 73 0.027 -11.491 -9.314 354 HG2 PRO 73 HG2 PRO 73 -1.170 -13.332 -7.318 355 HG3 PRO 73 HG1 PRO 73 0.242 -13.564 -8.369 356 HD2 PRO 73 HD2 PRO 73 0.503 -12.956 -5.769 357 HD3 PRO 73 HD1 PRO 73 1.632 -12.345 -6.993 358 H GLY 74 HN GLY 74 -2.093 -11.556 -5.671 359 HA2 GLY 74 HA2 GLY 74 -4.661 -10.608 -6.494 360 HA3 GLY 74 HA1 GLY 74 -4.296 -11.441 -4.989 361 H VAL 75 HN VAL 75 -2.503 -9.795 -3.797 362 HA VAL 75 HA VAL 75 -4.173 -7.805 -2.710 363 HB VAL 75 HB VAL 75 -2.217 -8.958 -1.568 364 HG11 VAL 75 HG11 VAL 75 -0.543 -8.497 -3.315 365 HG12 VAL 75 HG12 VAL 75 -0.036 -7.955 -1.715 366 HG13 VAL 75 HG13 VAL 75 -0.618 -6.785 -2.899 367 HG21 VAL 75 HG21 VAL 75 -1.676 -6.943 -0.204 368 HG22 VAL 75 HG22 VAL 75 -3.399 -7.230 -0.448 369 HG23 VAL 75 HG23 VAL 75 -2.575 -5.983 -1.381 370 H ILE 76 HN ILE 76 -1.819 -7.738 -5.303 371 HA ILE 76 HA ILE 76 -1.535 -4.926 -5.506 372 HB ILE 76 HB ILE 76 -1.206 -7.101 -7.587 373 HG12 ILE 76 HG12 ILE 76 0.883 -5.426 -6.173 374 HG13 ILE 76 HG11 ILE 76 0.387 -7.022 -5.624 375 HG21 ILE 76 HG21 ILE 76 -0.358 -4.210 -7.813 376 HG22 ILE 76 HG22 ILE 76 -1.776 -4.896 -8.603 377 HG23 ILE 76 HG23 ILE 76 -0.166 -5.474 -9.030 378 HD11 ILE 76 HD11 ILE 76 1.432 -6.556 -8.392 379 HD12 ILE 76 HD12 ILE 76 1.312 -8.072 -7.497 380 HD13 ILE 76 HD13 ILE 76 2.501 -6.860 -7.021 381 H ARG 77 HN ARG 77 -3.632 -7.248 -7.187 382 HA ARG 77 HA ARG 77 -5.014 -5.386 -8.770 383 HB2 ARG 77 HB2 ARG 77 -5.057 -7.820 -9.158 384 HB3 ARG 77 HB1 ARG 77 -5.988 -8.036 -7.683 385 HG2 ARG 77 HG2 ARG 77 -7.822 -6.755 -8.627 386 HG3 ARG 77 HG1 ARG 77 -6.897 -6.500 -10.105 387 HD2 ARG 77 HD2 ARG 77 -8.418 -8.292 -10.515 388 HD3 ARG 77 HD1 ARG 77 -6.806 -8.991 -10.375 389 HE ARG 77 HE ARG 77 -8.305 -8.981 -7.914 390 HH11 ARG 77 HH11 ARG 77 -8.084 -12.285 -10.186 391 HH12 ARG 77 HH12 ARG 77 -7.626 -10.753 -10.862 392 HH21 ARG 77 HH21 ARG 77 -8.922 -10.998 -7.039 393 HH22 ARG 77 HH22 ARG 77 -8.813 -12.427 -8.017 394 H ARG 78 HN ARG 78 -5.684 -6.668 -5.547 395 HA ARG 78 HA ARG 78 -8.196 -5.555 -5.118 396 HB2 ARG 78 HB2 ARG 78 -5.955 -6.377 -3.321 397 HB3 ARG 78 HB1 ARG 78 -7.328 -5.522 -2.633 398 HG2 ARG 78 HG2 ARG 78 -7.551 -8.056 -4.245 399 HG3 ARG 78 HG1 ARG 78 -7.462 -8.000 -2.485 400 HD2 ARG 78 HD2 ARG 78 -9.461 -6.265 -2.858 401 HD3 ARG 78 HD1 ARG 78 -9.667 -7.248 -4.305 402 HE ARG 78 HE ARG 78 -9.480 -8.615 -1.717 403 HH11 ARG 78 HH11 ARG 78 -11.461 -7.539 -4.417 404 HH12 ARG 78 HH12 ARG 78 -12.773 -8.605 -4.034 405 HH21 ARG 78 HH21 ARG 78 -12.634 -10.021 -2.233 406 HH22 ARG 78 HH22 ARG 78 -11.204 -10.038 -1.237 407 H VAL 79 HN VAL 79 -4.981 -4.108 -4.605 408 HA VAL 79 HA VAL 79 -6.185 -1.681 -3.594 409 HB VAL 79 HB VAL 79 -3.958 -2.633 -2.800 410 HG11 VAL 79 HG11 VAL 79 -1.988 -1.645 -4.093 411 HG12 VAL 79 HG12 VAL 79 -3.106 -1.515 -5.453 412 HG13 VAL 79 HG13 VAL 79 -2.752 -3.092 -4.745 413 HG21 VAL 79 HG21 VAL 79 -2.958 -0.296 -2.609 414 HG22 VAL 79 HG22 VAL 79 -4.588 -0.535 -1.980 415 HG23 VAL 79 HG23 VAL 79 -4.353 0.248 -3.543 416 H SER 80 HN SER 80 -5.167 -2.898 -6.666 417 HA SER 80 HA SER 80 -4.635 -0.448 -7.958 418 HB2 SER 80 HB2 SER 80 -5.664 -3.052 -9.103 419 HB3 SER 80 HB1 SER 80 -5.082 -1.693 -10.064 420 HG SER 80 HG SER 80 -3.542 -3.029 -8.087 421 H GLN 81 HN GLN 81 -7.620 -2.307 -7.535 422 HA GLN 81 HA GLN 81 -9.205 -0.443 -9.047 423 HB2 GLN 81 HB2 GLN 81 -9.890 -2.780 -7.267 424 HB3 GLN 81 HB1 GLN 81 -11.128 -1.756 -7.986 425 HG2 GLN 81 HG2 GLN 81 -9.063 -3.328 -9.508 426 HG3 GLN 81 HG1 GLN 81 -10.742 -3.809 -9.260 427 HE21 GLN 81 HE21 GLN 81 -8.574 -1.745 -10.998 428 HE22 GLN 81 HE22 GLN 81 -9.741 -1.122 -12.112 429 H LEU 82 HN LEU 82 -7.934 -0.515 -5.931 430 HA LEU 82 HA LEU 82 -10.026 1.063 -4.698 431 HB2 LEU 82 HB2 LEU 82 -8.683 -0.701 -3.480 432 HB3 LEU 82 HB1 LEU 82 -7.299 0.370 -3.604 433 HG LEU 82 HG LEU 82 -8.697 2.092 -2.344 434 HD11 LEU 82 HD11 LEU 82 -10.803 0.567 -2.815 435 HD12 LEU 82 HD12 LEU 82 -10.677 1.527 -1.342 436 HD13 LEU 82 HD13 LEU 82 -10.297 -0.195 -1.307 437 HD21 LEU 82 HD21 LEU 82 -8.062 1.213 -0.228 438 HD22 LEU 82 HD22 LEU 82 -6.847 0.687 -1.395 439 HD23 LEU 82 HD23 LEU 82 -8.085 -0.440 -0.835 440 H PHE 83 HN PHE 83 -6.689 1.449 -5.790 441 HA PHE 83 HA PHE 83 -6.899 4.362 -5.413 442 HB2 PHE 83 HB2 PHE 83 -4.506 2.563 -5.887 443 HB3 PHE 83 HB1 PHE 83 -4.419 4.318 -5.852 444 HD1 PHE 83 HD1 PHE 83 -6.778 3.853 -3.505 445 HD2 PHE 83 HD2 PHE 83 -2.663 2.977 -4.126 446 HE1 PHE 83 HE1 PHE 83 -6.428 3.812 -1.076 447 HE2 PHE 83 HE2 PHE 83 -2.300 2.926 -1.691 448 HZ PHE 83 HZ PHE 83 -4.187 3.345 -0.160 449 H HIS 84 HN HIS 84 -8.320 3.116 -7.531 450 HA HIS 84 HA HIS 84 -6.913 3.110 -9.968 451 HB2 HIS 84 HB2 HIS 84 -9.076 2.993 -11.055 452 HB3 HIS 84 HB1 HIS 84 -9.092 1.975 -9.618 453 HD2 HIS 84 HD2 HIS 84 -10.141 3.827 -7.325 454 HE1 HIS 84 HE1 HIS 84 -13.149 5.050 -10.038 455 HE2 HIS 84 HE2 HIS 84 -12.453 4.968 -7.610 456 H GLU 85 HN GLU 85 -8.249 5.683 -8.085 457 HA GLU 85 HA GLU 85 -8.095 7.558 -10.303 458 HB2 GLU 85 HB2 GLU 85 -9.023 7.827 -7.456 459 HB3 GLU 85 HB1 GLU 85 -8.868 9.204 -8.528 460 HG2 GLU 85 HG2 GLU 85 -10.564 6.819 -9.180 461 HG3 GLU 85 HG1 GLU 85 -11.169 8.222 -8.299 462 H HIS 86 HN HIS 86 -5.919 6.221 -8.276 463 HA HIS 86 HA HIS 86 -4.173 8.571 -8.455 464 HB2 HIS 86 HB2 HIS 86 -4.810 6.972 -6.011 465 HB3 HIS 86 HB1 HIS 86 -3.206 7.674 -6.188 466 HD2 HIS 86 HD2 HIS 86 -4.473 10.517 -7.568 467 HE1 HIS 86 HE1 HIS 86 -6.078 10.865 -3.662 468 HE2 HIS 86 HE2 HIS 86 -5.528 12.109 -5.803 469 HA PRO 87 HA PRO 87 -2.186 4.788 -10.269 470 HB2 PRO 87 HB2 PRO 87 -0.838 6.208 -12.199 471 HB3 PRO 87 HB1 PRO 87 -2.476 5.558 -12.409 472 HG2 PRO 87 HG2 PRO 87 -1.615 8.327 -11.743 473 HG3 PRO 87 HG1 PRO 87 -2.914 7.771 -12.817 474 HD2 PRO 87 HD2 PRO 87 -3.402 8.699 -10.330 475 HD3 PRO 87 HD1 PRO 87 -4.387 7.429 -11.086 476 H ASP 88 HN ASP 88 -0.951 7.904 -9.291 477 HA ASP 88 HA ASP 88 1.791 7.421 -9.322 478 HB2 ASP 88 HB2 ASP 88 0.370 9.072 -7.227 479 HB3 ASP 88 HB1 ASP 88 2.013 9.275 -7.814 480 H LEU 89 HN LEU 89 -0.608 6.737 -6.823 481 HA LEU 89 HA LEU 89 1.258 5.814 -4.892 482 HB2 LEU 89 HB2 LEU 89 -1.695 5.289 -5.186 483 HB3 LEU 89 HB1 LEU 89 -0.743 4.831 -3.791 484 HG LEU 89 HG LEU 89 -1.166 7.674 -4.717 485 HD11 LEU 89 HD11 LEU 89 -2.621 7.885 -2.758 486 HD12 LEU 89 HD12 LEU 89 -2.418 6.166 -2.421 487 HD13 LEU 89 HD13 LEU 89 -3.243 6.685 -3.890 488 HD21 LEU 89 HD21 LEU 89 0.054 6.602 -2.178 489 HD22 LEU 89 HD22 LEU 89 -0.147 8.299 -2.615 490 HD23 LEU 89 HD23 LEU 89 0.960 7.278 -3.532 491 H ILE 90 HN ILE 90 -0.700 4.187 -7.343 492 HA ILE 90 HA ILE 90 -0.161 1.539 -6.597 493 HB ILE 90 HB ILE 90 -0.628 2.561 -9.402 494 HG12 ILE 90 HG12 ILE 90 -2.649 1.599 -7.360 495 HG13 ILE 90 HG11 ILE 90 -2.376 3.290 -7.779 496 HG21 ILE 90 HG21 ILE 90 -1.403 0.334 -9.904 497 HG22 ILE 90 HG22 ILE 90 -1.178 -0.162 -8.227 498 HG23 ILE 90 HG23 ILE 90 0.222 0.234 -9.224 499 HD11 ILE 90 HD11 ILE 90 -3.261 3.009 -9.931 500 HD12 ILE 90 HD12 ILE 90 -4.346 2.111 -8.871 501 HD13 ILE 90 HD13 ILE 90 -3.150 1.250 -9.842 502 H VAL 91 HN VAL 91 1.492 3.639 -8.929 503 HA VAL 91 HA VAL 91 3.493 1.727 -9.594 504 HB VAL 91 HB VAL 91 3.527 4.728 -9.957 505 HG11 VAL 91 HG11 VAL 91 5.738 3.467 -10.095 506 HG12 VAL 91 HG12 VAL 91 5.290 4.457 -11.482 507 HG13 VAL 91 HG13 VAL 91 5.081 2.708 -11.551 508 HG21 VAL 91 HG21 VAL 91 2.735 2.568 -11.904 509 HG22 VAL 91 HG22 VAL 91 2.722 4.308 -12.193 510 HG23 VAL 91 HG23 VAL 91 1.611 3.599 -11.022 511 H GLY 92 HN GLY 92 3.358 4.488 -7.400 512 HA2 GLY 92 HA2 GLY 92 6.046 4.529 -6.608 513 HA3 GLY 92 HA1 GLY 92 4.701 5.129 -5.652 514 H PHE 93 HN PHE 93 3.286 2.800 -5.164 515 HA PHE 93 HA PHE 93 4.707 1.724 -2.986 516 HB2 PHE 93 HB2 PHE 93 2.188 1.815 -3.271 517 HB3 PHE 93 HB1 PHE 93 2.343 0.417 -4.332 518 HD1 PHE 93 HD1 PHE 93 3.241 1.574 -0.920 519 HD2 PHE 93 HD2 PHE 93 2.256 -1.713 -3.435 520 HE1 PHE 93 HE1 PHE 93 3.210 0.092 1.040 521 HE2 PHE 93 HE2 PHE 93 2.216 -3.205 -1.476 522 HZ PHE 93 HZ PHE 93 2.698 -2.305 0.767 523 H ASN 94 HN ASN 94 4.308 0.630 -6.293 524 HA ASN 94 HA ASN 94 5.244 -2.000 -5.956 525 HB2 ASN 94 HB2 ASN 94 4.786 -0.194 -8.239 526 HB3 ASN 94 HB1 ASN 94 6.011 -1.435 -8.505 527 HD21 ASN 94 HD21 ASN 94 2.649 -0.785 -7.998 528 HD22 ASN 94 HD22 ASN 94 2.086 -2.393 -8.304 529 H ALA 95 HN ALA 95 6.926 1.034 -6.467 530 HA ALA 95 HA ALA 95 9.504 -0.281 -6.703 531 HB1 ALA 95 HB1 ALA 95 8.775 2.645 -6.606 532 HB2 ALA 95 HB2 ALA 95 9.077 1.690 -8.059 533 HB3 ALA 95 HB3 ALA 95 10.386 2.005 -6.920 534 H PHE 96 HN PHE 96 7.510 1.068 -4.264 535 HA PHE 96 HA PHE 96 9.593 1.663 -2.377 536 HB2 PHE 96 HB2 PHE 96 7.387 2.810 -2.384 537 HB3 PHE 96 HB1 PHE 96 6.627 1.294 -1.917 538 HD1 PHE 96 HD1 PHE 96 9.000 3.908 -0.814 539 HD2 PHE 96 HD2 PHE 96 6.556 0.618 0.344 540 HE1 PHE 96 HE1 PHE 96 9.369 4.471 1.555 541 HE2 PHE 96 HE2 PHE 96 6.920 1.178 2.711 542 HZ PHE 96 HZ PHE 96 8.322 3.105 3.320 543 H LEU 97 HN LEU 97 7.742 -1.120 -3.251 544 HA LEU 97 HA LEU 97 7.760 -2.673 -0.979 545 HB2 LEU 97 HB2 LEU 97 8.058 -3.411 -3.877 546 HB3 LEU 97 HB1 LEU 97 7.961 -4.622 -2.618 547 HG LEU 97 HG LEU 97 5.823 -2.544 -3.026 548 HD11 LEU 97 HD11 LEU 97 4.567 -4.416 -4.138 549 HD12 LEU 97 HD12 LEU 97 6.094 -5.292 -4.229 550 HD13 LEU 97 HD13 LEU 97 5.910 -3.759 -5.078 551 HD21 LEU 97 HD21 LEU 97 4.465 -4.064 -1.729 552 HD22 LEU 97 HD22 LEU 97 5.932 -3.673 -0.832 553 HD23 LEU 97 HD23 LEU 97 5.789 -5.226 -1.653 554 HA PRO 98 HA PRO 98 12.121 -3.281 -0.198 555 HB2 PRO 98 HB2 PRO 98 11.780 -5.157 1.772 556 HB3 PRO 98 HB1 PRO 98 11.617 -3.415 2.042 557 HG2 PRO 98 HG2 PRO 98 9.505 -5.472 1.670 558 HG3 PRO 98 HG1 PRO 98 9.544 -4.062 2.750 559 HD2 PRO 98 HD2 PRO 98 8.155 -4.091 0.427 560 HD3 PRO 98 HD1 PRO 98 8.866 -2.616 1.111 561 H SER 99 HN SER 99 9.788 -5.835 -0.773 562 HA SER 99 HA SER 99 11.726 -7.885 -1.277 563 HB2 SER 99 HB2 SER 99 8.898 -8.018 -2.253 564 HB3 SER 99 HB1 SER 99 9.900 -9.297 -1.556 565 HG SER 99 HG SER 99 9.753 -8.081 0.453 566 H GLY 100 HN GLY 100 12.349 -8.734 -3.248 567 HA2 GLY 100 HA2 GLY 100 11.338 -8.135 -5.750 568 HA3 GLY 100 HA1 GLY 100 12.528 -6.891 -5.398 569 HA PRO 101 HA PRO 101 14.725 -10.571 -7.238 570 HB2 PRO 101 HB2 PRO 101 15.846 -8.630 -9.116 571 HB3 PRO 101 HB1 PRO 101 14.899 -10.089 -9.448 572 HG2 PRO 101 HG2 PRO 101 13.932 -7.616 -9.881 573 HG3 PRO 101 HG1 PRO 101 12.908 -8.987 -9.401 574 HD2 PRO 101 HD2 PRO 101 13.992 -6.761 -7.714 575 HD3 PRO 101 HD1 PRO 101 12.369 -7.484 -7.719 576 H SER 102 HN SER 102 15.452 -8.199 -5.263 577 HA SER 102 HA SER 102 18.215 -7.710 -5.669 578 HB2 SER 102 HB2 SER 102 17.422 -7.512 -2.900 579 HB3 SER 102 HB1 SER 102 17.853 -6.227 -4.025 580 HG SER 102 HG SER 102 15.398 -7.023 -3.165 581 H SER 103 HN SER 103 19.681 -8.262 -3.584 582 HA SER 103 HA SER 103 19.963 -11.120 -3.693 583 HB2 SER 103 HB2 SER 103 21.869 -9.421 -3.684 584 HB3 SER 103 HB1 SER 103 21.549 -9.217 -1.963 585 HG SER 103 HG SER 103 22.753 -10.898 -1.697 586 H GLY 104 HN GLY 104 18.875 -12.436 -2.415 587 HA2 GLY 104 HA2 GLY 104 18.503 -13.285 -0.184 588 HA3 GLY 104 HA1 GLY 104 18.396 -11.626 0.382 Start of MODEL 5 1 H1 GLY 25 HN GLY 25 13.730 23.759 -5.202 2 HA2 GLY 25 HA2 GLY 25 16.096 22.647 -5.166 3 HA3 GLY 25 HA1 GLY 25 15.524 22.044 -3.618 4 H SER 26 HN SER 26 15.198 19.945 -3.914 5 HA SER 26 HA SER 26 13.329 19.158 -6.036 6 HB2 SER 26 HB2 SER 26 15.432 17.189 -5.356 7 HB3 SER 26 HB1 SER 26 14.718 17.582 -6.921 8 HG SER 26 HG SER 26 16.053 19.406 -7.009 9 H SER 27 HN SER 27 11.588 18.264 -5.072 10 HA SER 27 HA SER 27 11.597 17.460 -2.354 11 HB2 SER 27 HB2 SER 27 9.509 16.726 -4.408 12 HB3 SER 27 HB1 SER 27 9.295 16.937 -2.671 13 HG SER 27 HG SER 27 10.138 19.199 -3.225 14 H GLY 28 HN GLY 28 12.224 15.609 -1.482 15 HA2 GLY 28 HA2 GLY 28 11.624 13.063 -2.190 16 HA3 GLY 28 HA1 GLY 28 13.047 13.421 -3.161 17 H SER 29 HN SER 29 12.246 11.817 -0.540 18 HA SER 29 HA SER 29 14.506 12.748 1.087 19 HB2 SER 29 HB2 SER 29 12.522 10.742 2.083 20 HB3 SER 29 HB1 SER 29 13.418 11.975 2.970 21 HG SER 29 HG SER 29 12.038 13.451 1.538 22 H SER 30 HN SER 30 16.212 11.735 0.081 23 HA SER 30 HA SER 30 16.115 8.915 -0.524 24 HB2 SER 30 HB2 SER 30 18.473 10.811 -0.540 25 HB3 SER 30 HB1 SER 30 18.415 9.219 -1.292 26 HG SER 30 HG SER 30 17.997 10.678 -2.893 27 H GLY 31 HN GLY 31 17.360 7.303 0.501 28 HA2 GLY 31 HA2 GLY 31 18.842 6.529 2.201 29 HA3 GLY 31 HA1 GLY 31 18.527 8.005 3.102 30 H VAL 32 HN VAL 32 16.964 5.034 1.955 31 HA VAL 32 HA VAL 32 14.843 5.285 3.901 32 HB VAL 32 HB VAL 32 13.938 3.258 2.996 33 HG11 VAL 32 HG11 VAL 32 13.761 3.813 0.620 34 HG12 VAL 32 HG12 VAL 32 15.120 4.921 0.785 35 HG13 VAL 32 HG13 VAL 32 13.613 5.244 1.639 36 HG21 VAL 32 HG21 VAL 32 16.558 2.918 1.541 37 HG22 VAL 32 HG22 VAL 32 15.124 1.925 1.289 38 HG23 VAL 32 HG23 VAL 32 15.945 1.906 2.851 39 H HIS 33 HN HIS 33 14.353 3.551 5.424 40 HA HIS 33 HA HIS 33 16.811 2.547 6.676 41 HB2 HIS 33 HB2 HIS 33 14.088 3.257 7.710 42 HB3 HIS 33 HB1 HIS 33 15.067 2.093 8.601 43 HD2 HIS 33 HD2 HIS 33 15.141 5.878 7.589 44 HE1 HIS 33 HE1 HIS 33 17.924 5.200 10.699 45 HE2 HIS 33 HE2 HIS 33 16.838 6.951 9.234 46 H VAL 34 HN VAL 34 16.228 0.381 8.004 47 HA VAL 34 HA VAL 34 15.538 -1.525 5.948 48 HB VAL 34 HB VAL 34 16.166 -3.256 7.541 49 HG11 VAL 34 HG11 VAL 34 17.880 -1.988 6.223 50 HG12 VAL 34 HG12 VAL 34 18.485 -2.763 7.688 51 HG13 VAL 34 HG13 VAL 34 18.182 -1.027 7.670 52 HG21 VAL 34 HG21 VAL 34 15.317 -2.366 9.602 53 HG22 VAL 34 HG22 VAL 34 16.406 -0.983 9.509 54 HG23 VAL 34 HG23 VAL 34 17.055 -2.601 9.774 55 H GLU 35 HN GLU 35 13.649 0.296 7.762 56 HA GLU 35 HA GLU 35 11.425 -1.542 7.620 57 HB2 GLU 35 HB2 GLU 35 12.326 -2.024 9.850 58 HB3 GLU 35 HB1 GLU 35 12.273 -0.316 10.258 59 HG2 GLU 35 HG2 GLU 35 9.789 -0.414 9.896 60 HG3 GLU 35 HG1 GLU 35 9.953 -2.163 9.777 61 H ASP 36 HN ASP 36 10.253 -0.273 6.317 62 HA ASP 36 HA ASP 36 9.493 2.366 7.349 63 HB2 ASP 36 HB2 ASP 36 9.598 3.323 5.080 64 HB3 ASP 36 HB1 ASP 36 11.177 2.785 5.633 65 H ALA 37 HN ALA 37 8.348 -0.451 7.044 66 HA ALA 37 HA ALA 37 6.212 -0.416 5.228 67 HB1 ALA 37 HB1 ALA 37 7.142 -2.406 6.456 68 HB2 ALA 37 HB2 ALA 37 5.382 -2.314 6.386 69 HB3 ALA 37 HB3 ALA 37 6.228 -1.862 7.865 70 H LEU 38 HN LEU 38 6.424 0.612 8.592 71 HA LEU 38 HA LEU 38 3.667 1.254 8.841 72 HB2 LEU 38 HB2 LEU 38 4.204 2.196 10.964 73 HB3 LEU 38 HB1 LEU 38 5.164 0.744 10.774 74 HG LEU 38 HG LEU 38 6.327 3.443 10.151 75 HD11 LEU 38 HD11 LEU 38 5.449 3.667 12.384 76 HD12 LEU 38 HD12 LEU 38 7.197 3.464 12.469 77 HD13 LEU 38 HD13 LEU 38 6.138 2.109 12.851 78 HD21 LEU 38 HD21 LEU 38 7.675 1.631 9.410 79 HD22 LEU 38 HD22 LEU 38 7.435 0.747 10.917 80 HD23 LEU 38 HD23 LEU 38 8.403 2.221 10.902 81 H THR 39 HN THR 39 6.502 2.981 7.765 82 HA THR 39 HA THR 39 5.522 5.608 7.923 83 HB THR 39 HB THR 39 7.365 4.873 5.708 84 HG1 THR 39 HG1 THR 39 8.413 4.891 8.323 85 HG21 THR 39 HG21 THR 39 7.446 6.936 7.918 86 HG22 THR 39 HG22 THR 39 6.941 7.218 6.252 87 HG23 THR 39 HG23 THR 39 8.616 6.799 6.608 88 H TYR 40 HN TYR 40 5.443 3.194 5.324 89 HA TYR 40 HA TYR 40 4.167 4.858 3.411 90 HB2 TYR 40 HB2 TYR 40 5.418 2.747 2.875 91 HB3 TYR 40 HB1 TYR 40 4.069 1.837 3.546 92 HD1 TYR 40 HD1 TYR 40 2.371 1.154 2.142 93 HD2 TYR 40 HD2 TYR 40 4.791 4.451 0.983 94 HE1 TYR 40 HE1 TYR 40 1.243 1.205 -0.047 95 HE2 TYR 40 HE2 TYR 40 3.674 4.513 -1.204 96 HH TYR 40 HH TYR 40 0.827 2.810 -1.875 97 H LEU 41 HN LEU 41 2.990 2.630 5.871 98 HA LEU 41 HA LEU 41 0.281 2.586 5.105 99 HB2 LEU 41 HB2 LEU 41 1.875 1.614 7.251 100 HB3 LEU 41 HB1 LEU 41 0.504 2.450 7.947 101 HG LEU 41 HG LEU 41 0.002 0.092 7.732 102 HD11 LEU 41 HD11 LEU 41 -2.092 0.248 6.696 103 HD12 LEU 41 HD12 LEU 41 -1.540 1.479 5.563 104 HD13 LEU 41 HD13 LEU 41 -1.750 1.880 7.269 105 HD21 LEU 41 HD21 LEU 41 0.253 0.337 4.754 106 HD22 LEU 41 HD22 LEU 41 0.114 -1.121 5.738 107 HD23 LEU 41 HD23 LEU 41 1.604 -0.178 5.761 108 H ASP 42 HN ASP 42 2.110 4.693 7.242 109 HA ASP 42 HA ASP 42 -0.071 6.220 8.183 110 HB2 ASP 42 HB2 ASP 42 2.282 6.069 9.174 111 HB3 ASP 42 HB1 ASP 42 2.759 7.223 7.932 112 H GLN 43 HN GLN 43 2.037 6.514 5.393 113 HA GLN 43 HA GLN 43 1.356 9.103 4.566 114 HB2 GLN 43 HB2 GLN 43 2.207 6.665 3.010 115 HB3 GLN 43 HB1 GLN 43 1.974 8.235 2.254 116 HG2 GLN 43 HG2 GLN 43 3.837 7.832 4.570 117 HG3 GLN 43 HG1 GLN 43 4.341 7.604 2.898 118 HE21 GLN 43 HE21 GLN 43 4.497 9.373 1.539 119 HE22 GLN 43 HE22 GLN 43 4.523 10.995 2.132 120 H VAL 44 HN VAL 44 -0.094 5.983 3.778 121 HA VAL 44 HA VAL 44 -2.053 6.862 1.988 122 HB VAL 44 HB VAL 44 -2.198 4.523 3.914 123 HG11 VAL 44 HG11 VAL 44 -3.702 4.959 1.333 124 HG12 VAL 44 HG12 VAL 44 -4.390 5.161 2.944 125 HG13 VAL 44 HG13 VAL 44 -3.837 3.572 2.414 126 HG21 VAL 44 HG21 VAL 44 -1.238 4.643 1.057 127 HG22 VAL 44 HG22 VAL 44 -1.398 3.180 2.026 128 HG23 VAL 44 HG23 VAL 44 -0.224 4.415 2.483 129 H LYS 45 HN LYS 45 -1.974 6.729 5.477 130 HA LYS 45 HA LYS 45 -4.704 7.298 5.957 131 HB2 LYS 45 HB2 LYS 45 -3.196 6.312 7.642 132 HB3 LYS 45 HB1 LYS 45 -2.282 7.813 7.696 133 HG2 LYS 45 HG2 LYS 45 -4.349 8.968 8.483 134 HG3 LYS 45 HG1 LYS 45 -5.132 7.387 8.568 135 HD2 LYS 45 HD2 LYS 45 -4.383 7.386 10.693 136 HD3 LYS 45 HD1 LYS 45 -2.847 6.918 9.965 137 HE2 LYS 45 HE2 LYS 45 -3.686 9.752 10.558 138 HE3 LYS 45 HE1 LYS 45 -2.634 8.780 11.585 139 HZ1 LYS 45 HZ1 LYS 45 -1.500 10.368 10.030 140 HZ2 LYS 45 HZ2 LYS 45 -2.002 9.378 8.755 141 HZ3 LYS 45 HZ3 LYS 45 -0.965 8.762 9.944 142 H ILE 46 HN ILE 46 -1.869 9.312 5.409 143 HA ILE 46 HA ILE 46 -3.159 11.758 6.199 144 HB ILE 46 HB ILE 46 -0.687 11.515 4.477 145 HG12 ILE 46 HG12 ILE 46 -0.823 11.595 7.494 146 HG13 ILE 46 HG11 ILE 46 -0.430 10.163 6.545 147 HG21 ILE 46 HG21 ILE 46 -1.411 13.738 4.476 148 HG22 ILE 46 HG22 ILE 46 -0.168 13.689 5.726 149 HG23 ILE 46 HG23 ILE 46 -1.874 13.688 6.177 150 HD11 ILE 46 HD11 ILE 46 1.597 11.100 7.360 151 HD12 ILE 46 HD12 ILE 46 1.155 12.707 6.785 152 HD13 ILE 46 HD13 ILE 46 1.519 11.429 5.627 153 H ARG 47 HN ARG 47 -2.279 10.247 3.102 154 HA ARG 47 HA ARG 47 -3.163 12.283 1.406 155 HB2 ARG 47 HB2 ARG 47 -2.527 9.420 1.139 156 HB3 ARG 47 HB1 ARG 47 -3.622 10.056 -0.083 157 HG2 ARG 47 HG2 ARG 47 -0.983 11.331 0.583 158 HG3 ARG 47 HG1 ARG 47 -1.175 10.092 -0.659 159 HD2 ARG 47 HD2 ARG 47 -2.739 11.504 -1.858 160 HD3 ARG 47 HD1 ARG 47 -2.653 12.722 -0.590 161 HE ARG 47 HE ARG 47 -0.073 12.432 -1.378 162 HH11 ARG 47 HH11 ARG 47 -2.283 14.081 -4.302 163 HH12 ARG 47 HH12 ARG 47 -3.059 13.150 -3.063 164 HH21 ARG 47 HH21 ARG 47 0.949 13.656 -3.005 165 HH22 ARG 47 HH22 ARG 47 0.002 14.367 -4.271 166 H PHE 48 HN PHE 48 -4.928 9.430 2.605 167 HA PHE 48 HA PHE 48 -7.383 10.614 1.504 168 HB2 PHE 48 HB2 PHE 48 -6.630 7.801 2.239 169 HB3 PHE 48 HB1 PHE 48 -8.320 8.273 2.087 170 HD1 PHE 48 HD1 PHE 48 -9.262 8.840 -0.074 171 HD2 PHE 48 HD2 PHE 48 -5.182 7.712 0.300 172 HE1 PHE 48 HE1 PHE 48 -9.133 8.534 -2.508 173 HE2 PHE 48 HE2 PHE 48 -5.042 7.401 -2.142 174 HZ PHE 48 HZ PHE 48 -7.020 7.814 -3.548 175 H GLY 49 HN GLY 49 -6.671 12.019 3.581 176 HA2 GLY 49 HA2 GLY 49 -7.654 10.957 6.072 177 HA3 GLY 49 HA1 GLY 49 -7.144 12.610 5.766 178 H SER 50 HN SER 50 -8.863 13.087 3.547 179 HA SER 50 HA SER 50 -11.302 13.661 4.981 180 HB2 SER 50 HB2 SER 50 -11.695 14.494 2.381 181 HB3 SER 50 HB1 SER 50 -11.026 15.476 3.678 182 HG SER 50 HG SER 50 -9.838 14.997 1.491 183 H ASP 51 HN ASP 51 -10.287 10.949 3.609 184 HA ASP 51 HA ASP 51 -12.997 10.125 2.872 185 HB2 ASP 51 HB2 ASP 51 -11.662 10.647 0.784 186 HB3 ASP 51 HB1 ASP 51 -10.599 9.314 1.224 187 HA PRO 52 HA PRO 52 -11.099 7.221 5.856 188 HB2 PRO 52 HB2 PRO 52 -13.440 6.628 7.113 189 HB3 PRO 52 HB1 PRO 52 -12.447 8.032 7.536 190 HG2 PRO 52 HG2 PRO 52 -14.923 7.901 5.901 191 HG3 PRO 52 HG1 PRO 52 -14.395 9.134 7.064 192 HD2 PRO 52 HD2 PRO 52 -14.195 9.439 4.360 193 HD3 PRO 52 HD1 PRO 52 -13.105 10.224 5.520 194 H ALA 53 HN ALA 53 -13.697 6.931 3.573 195 HA ALA 53 HA ALA 53 -14.288 4.197 3.880 196 HB1 ALA 53 HB1 ALA 53 -15.689 5.809 2.632 197 HB2 ALA 53 HB2 ALA 53 -15.349 4.331 1.734 198 HB3 ALA 53 HB3 ALA 53 -14.481 5.815 1.348 199 H THR 54 HN THR 54 -12.023 5.864 1.701 200 HA THR 54 HA THR 54 -11.095 3.543 0.397 201 HB THR 54 HB THR 54 -9.448 6.031 0.862 202 HG1 THR 54 HG1 THR 54 -11.496 6.671 0.100 203 HG21 THR 54 HG21 THR 54 -8.446 5.485 -1.250 204 HG22 THR 54 HG22 THR 54 -9.603 4.183 -1.515 205 HG23 THR 54 HG23 THR 54 -8.395 4.039 -0.239 206 H TYR 55 HN TYR 55 -9.925 5.271 3.263 207 HA TYR 55 HA TYR 55 -7.641 3.681 3.694 208 HB2 TYR 55 HB2 TYR 55 -8.034 5.912 4.710 209 HB3 TYR 55 HB1 TYR 55 -9.283 5.205 5.725 210 HD1 TYR 55 HD1 TYR 55 -5.668 4.717 4.885 211 HD2 TYR 55 HD2 TYR 55 -8.702 4.547 7.866 212 HE1 TYR 55 HE1 TYR 55 -3.969 4.190 6.582 213 HE2 TYR 55 HE2 TYR 55 -7.007 4.021 9.566 214 HH TYR 55 HH TYR 55 -4.706 2.991 9.607 215 H ASN 56 HN ASN 56 -10.974 3.438 4.836 216 HA ASN 56 HA ASN 56 -10.575 1.302 6.631 217 HB2 ASN 56 HB2 ASN 56 -12.704 2.922 5.906 218 HB3 ASN 56 HB1 ASN 56 -13.199 1.323 5.364 219 HD21 ASN 56 HD21 ASN 56 -14.846 1.439 6.956 220 HD22 ASN 56 HD22 ASN 56 -14.494 1.107 8.616 221 H GLY 57 HN GLY 57 -11.257 1.446 3.194 222 HA2 GLY 57 HA2 GLY 57 -11.788 -1.326 2.839 223 HA3 GLY 57 HA1 GLY 57 -11.359 -0.182 1.574 224 H PHE 58 HN PHE 58 -8.882 0.634 2.805 225 HA PHE 58 HA PHE 58 -7.112 -1.180 1.632 226 HB2 PHE 58 HB2 PHE 58 -6.650 1.236 2.121 227 HB3 PHE 58 HB1 PHE 58 -6.471 0.816 3.820 228 HD1 PHE 58 HD1 PHE 58 -4.419 0.098 4.651 229 HD2 PHE 58 HD2 PHE 58 -5.091 0.135 0.448 230 HE1 PHE 58 HE1 PHE 58 -2.038 -0.378 4.270 231 HE2 PHE 58 HE2 PHE 58 -2.705 -0.342 0.058 232 HZ PHE 58 HZ PHE 58 -1.174 -0.603 1.970 233 H LEU 59 HN LEU 59 -8.316 -0.896 4.906 234 HA LEU 59 HA LEU 59 -6.539 -2.651 6.191 235 HB2 LEU 59 HB2 LEU 59 -9.348 -1.751 6.764 236 HB3 LEU 59 HB1 LEU 59 -8.555 -2.934 7.784 237 HG LEU 59 HG LEU 59 -7.290 -0.265 7.248 238 HD11 LEU 59 HD11 LEU 59 -9.461 0.280 8.090 239 HD12 LEU 59 HD12 LEU 59 -8.290 0.485 9.392 240 HD13 LEU 59 HD13 LEU 59 -9.329 -0.939 9.356 241 HD21 LEU 59 HD21 LEU 59 -6.160 -0.719 9.347 242 HD22 LEU 59 HD22 LEU 59 -5.920 -2.050 8.215 243 HD23 LEU 59 HD23 LEU 59 -7.076 -2.216 9.535 244 H GLU 60 HN GLU 60 -9.602 -3.187 4.517 245 HA GLU 60 HA GLU 60 -9.855 -5.932 5.171 246 HB2 GLU 60 HB2 GLU 60 -11.002 -4.423 2.811 247 HB3 GLU 60 HB1 GLU 60 -11.527 -6.002 3.377 248 HG2 GLU 60 HG2 GLU 60 -11.825 -3.358 4.775 249 HG3 GLU 60 HG1 GLU 60 -13.096 -4.405 4.144 250 H ILE 61 HN ILE 61 -8.156 -4.185 2.682 251 HA ILE 61 HA ILE 61 -7.684 -6.326 0.899 252 HB ILE 61 HB ILE 61 -6.106 -3.799 1.405 253 HG12 ILE 61 HG12 ILE 61 -8.075 -4.529 -0.770 254 HG13 ILE 61 HG11 ILE 61 -8.420 -3.480 0.597 255 HG21 ILE 61 HG21 ILE 61 -5.161 -4.252 -0.892 256 HG22 ILE 61 HG22 ILE 61 -5.802 -5.890 -0.740 257 HG23 ILE 61 HG23 ILE 61 -4.582 -5.306 0.394 258 HD11 ILE 61 HD11 ILE 61 -6.431 -2.939 -1.592 259 HD12 ILE 61 HD12 ILE 61 -6.725 -1.900 -0.201 260 HD13 ILE 61 HD13 ILE 61 -8.006 -2.169 -1.383 261 H MET 62 HN MET 62 -5.759 -4.958 3.559 262 HA MET 62 HA MET 62 -3.594 -6.751 3.275 263 HB2 MET 62 HB2 MET 62 -4.505 -5.134 5.657 264 HB3 MET 62 HB1 MET 62 -2.987 -6.019 5.586 265 HG2 MET 62 HG2 MET 62 -2.579 -4.632 3.435 266 HG3 MET 62 HG1 MET 62 -3.820 -3.574 4.093 267 HE1 MET 62 HE1 MET 62 -0.902 -5.647 5.911 268 HE2 MET 62 HE2 MET 62 0.325 -4.378 5.930 269 HE3 MET 62 HE3 MET 62 -0.267 -5.003 4.395 270 H LYS 63 HN LYS 63 -6.670 -7.006 4.846 271 HA LYS 63 HA LYS 63 -6.105 -9.100 6.641 272 HB2 LYS 63 HB2 LYS 63 -8.614 -8.126 5.312 273 HB3 LYS 63 HB1 LYS 63 -8.635 -9.573 6.309 274 HG2 LYS 63 HG2 LYS 63 -7.859 -8.312 8.215 275 HG3 LYS 63 HG1 LYS 63 -7.727 -6.855 7.226 276 HD2 LYS 63 HD2 LYS 63 -10.146 -6.925 6.810 277 HD3 LYS 63 HD1 LYS 63 -10.271 -8.380 7.797 278 HE2 LYS 63 HE2 LYS 63 -9.676 -7.206 9.765 279 HE3 LYS 63 HE1 LYS 63 -9.174 -5.785 8.848 280 HZ1 LYS 63 HZ1 LYS 63 -11.448 -5.373 8.236 281 HZ2 LYS 63 HZ2 LYS 63 -11.368 -5.530 9.922 282 HZ3 LYS 63 HZ3 LYS 63 -11.965 -6.801 8.983 283 H GLU 64 HN GLU 64 -7.146 -9.109 3.252 284 HA GLU 64 HA GLU 64 -7.521 -11.896 3.015 285 HB2 GLU 64 HB2 GLU 64 -6.707 -9.971 0.824 286 HB3 GLU 64 HB1 GLU 64 -7.446 -11.550 0.607 287 HG2 GLU 64 HG2 GLU 64 -9.457 -10.713 1.791 288 HG3 GLU 64 HG1 GLU 64 -8.717 -9.111 1.826 289 H PHE 65 HN PHE 65 -4.712 -9.848 2.769 290 HA PHE 65 HA PHE 65 -2.978 -11.848 1.682 291 HB2 PHE 65 HB2 PHE 65 -2.344 -9.613 1.223 292 HB3 PHE 65 HB1 PHE 65 -2.526 -9.124 2.903 293 HD1 PHE 65 HD1 PHE 65 -0.626 -8.828 4.137 294 HD2 PHE 65 HD2 PHE 65 -0.533 -11.524 0.850 295 HE1 PHE 65 HE1 PHE 65 1.776 -9.193 4.517 296 HE2 PHE 65 HE2 PHE 65 1.871 -11.900 1.220 297 HZ PHE 65 HZ PHE 65 3.032 -10.731 3.055 298 H LYS 66 HN LYS 66 -3.664 -10.574 4.892 299 HA LYS 66 HA LYS 66 -1.644 -11.941 6.302 300 HB2 LYS 66 HB2 LYS 66 -4.314 -10.836 7.143 301 HB3 LYS 66 HB1 LYS 66 -3.226 -11.626 8.273 302 HG2 LYS 66 HG2 LYS 66 -1.536 -9.967 7.896 303 HG3 LYS 66 HG1 LYS 66 -2.492 -9.230 6.611 304 HD2 LYS 66 HD2 LYS 66 -2.716 -7.917 8.620 305 HD3 LYS 66 HD1 LYS 66 -4.250 -8.710 8.267 306 HE2 LYS 66 HE2 LYS 66 -3.933 -8.962 10.588 307 HE3 LYS 66 HE1 LYS 66 -3.523 -10.522 9.883 308 HZ1 LYS 66 HZ1 LYS 66 -1.143 -9.671 9.919 309 HZ2 LYS 66 HZ2 LYS 66 -1.834 -10.092 11.404 310 HZ3 LYS 66 HZ3 LYS 66 -1.701 -8.466 10.965 311 H SER 67 HN SER 67 -4.873 -12.902 5.307 312 HA SER 67 HA SER 67 -4.792 -15.357 6.821 313 HB2 SER 67 HB2 SER 67 -6.727 -14.338 4.729 314 HB3 SER 67 HB1 SER 67 -6.935 -15.834 5.639 315 HG SER 67 HG SER 67 -7.017 -14.632 7.539 316 H GLN 68 HN GLN 68 -3.216 -14.388 4.136 317 HA GLN 68 HA GLN 68 -2.055 -15.426 2.494 318 HB2 GLN 68 HB2 GLN 68 -2.758 -17.949 4.004 319 HB3 GLN 68 HB1 GLN 68 -1.526 -17.813 2.756 320 HG2 GLN 68 HG2 GLN 68 -0.201 -16.381 4.111 321 HG3 GLN 68 HG1 GLN 68 -1.487 -16.232 5.305 322 HE21 GLN 68 HE21 GLN 68 -2.202 -19.040 5.244 323 HE22 GLN 68 HE22 GLN 68 -0.928 -19.878 6.059 324 H SER 69 HN SER 69 -5.040 -15.104 2.375 325 HA SER 69 HA SER 69 -5.977 -17.257 0.711 326 HB2 SER 69 HB2 SER 69 -7.331 -14.610 0.644 327 HB3 SER 69 HB1 SER 69 -8.019 -16.222 0.842 328 HG SER 69 HG SER 69 -8.149 -14.934 2.759 329 H ILE 70 HN ILE 70 -4.773 -13.970 0.276 330 HA ILE 70 HA ILE 70 -4.584 -14.473 -2.618 331 HB ILE 70 HB ILE 70 -4.709 -12.109 -3.019 332 HG12 ILE 70 HG12 ILE 70 -5.003 -11.689 -0.041 333 HG13 ILE 70 HG11 ILE 70 -3.499 -11.438 -0.915 334 HG21 ILE 70 HG21 ILE 70 -6.848 -13.023 -2.974 335 HG22 ILE 70 HG22 ILE 70 -6.978 -11.621 -1.914 336 HG23 ILE 70 HG23 ILE 70 -6.826 -13.237 -1.225 337 HD11 ILE 70 HD11 ILE 70 -4.502 -9.678 -2.211 338 HD12 ILE 70 HD12 ILE 70 -4.722 -9.352 -0.490 339 HD13 ILE 70 HD13 ILE 70 -6.066 -9.970 -1.456 340 H ASP 71 HN ASP 71 -2.743 -13.292 -3.654 341 HA ASP 71 HA ASP 71 -0.389 -13.229 -1.882 342 HB2 ASP 71 HB2 ASP 71 -0.620 -14.310 -4.698 343 HB3 ASP 71 HB1 ASP 71 0.911 -14.059 -3.867 344 H THR 72 HN THR 72 1.460 -12.291 -3.740 345 HA THR 72 HA THR 72 1.172 -9.567 -3.609 346 HB THR 72 HB THR 72 2.672 -10.932 -5.840 347 HG1 THR 72 HG1 THR 72 3.783 -11.868 -4.305 348 HG21 THR 72 HG21 THR 72 2.544 -8.461 -5.889 349 HG22 THR 72 HG22 THR 72 4.184 -9.045 -5.617 350 HG23 THR 72 HG23 THR 72 3.240 -8.413 -4.269 351 HA PRO 73 HA PRO 73 -0.459 -9.480 -8.262 352 HB2 PRO 73 HB2 PRO 73 -1.919 -11.787 -8.842 353 HB3 PRO 73 HB1 PRO 73 -0.291 -11.427 -9.435 354 HG2 PRO 73 HG2 PRO 73 -1.113 -13.131 -7.147 355 HG3 PRO 73 HG1 PRO 73 0.184 -13.375 -8.332 356 HD2 PRO 73 HD2 PRO 73 0.746 -12.529 -5.873 357 HD3 PRO 73 HD1 PRO 73 1.610 -11.888 -7.289 358 H GLY 74 HN GLY 74 -2.133 -11.292 -5.745 359 HA2 GLY 74 HA2 GLY 74 -4.744 -10.399 -6.425 360 HA3 GLY 74 HA1 GLY 74 -4.261 -11.129 -4.901 361 H VAL 75 HN VAL 75 -2.353 -9.331 -4.031 362 HA VAL 75 HA VAL 75 -3.926 -7.338 -2.836 363 HB VAL 75 HB VAL 75 -0.920 -7.378 -3.157 364 HG11 VAL 75 HG11 VAL 75 -0.870 -5.420 -2.135 365 HG12 VAL 75 HG12 VAL 75 -1.755 -6.098 -0.767 366 HG13 VAL 75 HG13 VAL 75 -2.628 -5.374 -2.120 367 HG21 VAL 75 HG21 VAL 75 -1.118 -8.173 -0.700 368 HG22 VAL 75 HG22 VAL 75 -1.389 -9.328 -2.004 369 HG23 VAL 75 HG23 VAL 75 -2.764 -8.620 -1.159 370 H ILE 76 HN ILE 76 -1.657 -7.216 -5.559 371 HA ILE 76 HA ILE 76 -1.720 -4.479 -6.076 372 HB ILE 76 HB ILE 76 -1.443 -6.748 -8.053 373 HG12 ILE 76 HG12 ILE 76 0.712 -5.025 -6.807 374 HG13 ILE 76 HG11 ILE 76 0.215 -6.578 -6.142 375 HG21 ILE 76 HG21 ILE 76 -0.814 -3.812 -8.366 376 HG22 ILE 76 HG22 ILE 76 -2.049 -4.729 -9.230 377 HG23 ILE 76 HG23 ILE 76 -0.342 -5.076 -9.500 378 HD11 ILE 76 HD11 ILE 76 1.260 -6.217 -8.938 379 HD12 ILE 76 HD12 ILE 76 0.978 -7.732 -8.080 380 HD13 ILE 76 HD13 ILE 76 2.259 -6.646 -7.549 381 H ARG 77 HN ARG 77 -3.911 -7.034 -7.212 382 HA ARG 77 HA ARG 77 -5.473 -5.481 -8.945 383 HB2 ARG 77 HB2 ARG 77 -5.626 -7.918 -8.899 384 HB3 ARG 77 HB1 ARG 77 -6.273 -7.870 -7.265 385 HG2 ARG 77 HG2 ARG 77 -8.286 -6.825 -8.037 386 HG3 ARG 77 HG1 ARG 77 -7.630 -6.651 -9.662 387 HD2 ARG 77 HD2 ARG 77 -9.114 -8.507 -9.677 388 HD3 ARG 77 HD1 ARG 77 -7.472 -9.135 -9.791 389 HE ARG 77 HE ARG 77 -8.021 -9.188 -7.131 390 HH11 ARG 77 HH11 ARG 77 -10.308 -11.806 -9.135 391 HH12 ARG 77 HH12 ARG 77 -9.626 -10.446 -9.970 392 HH21 ARG 77 HH21 ARG 77 -8.901 -10.989 -6.040 393 HH22 ARG 77 HH22 ARG 77 -9.892 -12.119 -6.905 394 H ARG 78 HN ARG 78 -5.794 -6.139 -5.492 395 HA ARG 78 HA ARG 78 -8.176 -4.693 -5.064 396 HB2 ARG 78 HB2 ARG 78 -5.909 -5.531 -3.279 397 HB3 ARG 78 HB1 ARG 78 -7.230 -4.555 -2.660 398 HG2 ARG 78 HG2 ARG 78 -7.662 -7.186 -4.031 399 HG3 ARG 78 HG1 ARG 78 -7.408 -7.030 -2.294 400 HD2 ARG 78 HD2 ARG 78 -9.335 -5.364 -2.323 401 HD3 ARG 78 HD1 ARG 78 -9.666 -5.952 -3.953 402 HE ARG 78 HE ARG 78 -9.486 -7.953 -1.830 403 HH11 ARG 78 HH11 ARG 78 -11.531 -5.974 -3.875 404 HH12 ARG 78 HH12 ARG 78 -12.929 -6.978 -3.653 405 HH21 ARG 78 HH21 ARG 78 -12.821 -8.847 -2.319 406 HH22 ARG 78 HH22 ARG 78 -11.329 -9.267 -1.518 407 H VAL 79 HN VAL 79 -4.777 -3.815 -4.735 408 HA VAL 79 HA VAL 79 -5.098 -1.208 -3.790 409 HB VAL 79 HB VAL 79 -2.891 -2.279 -5.553 410 HG11 VAL 79 HG11 VAL 79 -2.876 0.166 -5.495 411 HG12 VAL 79 HG12 VAL 79 -1.511 -0.490 -4.590 412 HG13 VAL 79 HG13 VAL 79 -2.922 0.128 -3.734 413 HG21 VAL 79 HG21 VAL 79 -1.730 -2.896 -3.601 414 HG22 VAL 79 HG22 VAL 79 -3.380 -3.478 -3.359 415 HG23 VAL 79 HG23 VAL 79 -2.836 -2.000 -2.565 416 H SER 80 HN SER 80 -4.908 -2.408 -7.112 417 HA SER 80 HA SER 80 -4.969 0.110 -8.375 418 HB2 SER 80 HB2 SER 80 -5.953 -2.499 -9.533 419 HB3 SER 80 HB1 SER 80 -5.343 -1.096 -10.414 420 HG SER 80 HG SER 80 -3.871 -2.812 -8.679 421 H GLN 81 HN GLN 81 -7.525 -2.119 -7.400 422 HA GLN 81 HA GLN 81 -9.609 -0.605 -8.651 423 HB2 GLN 81 HB2 GLN 81 -9.583 -2.841 -6.640 424 HB3 GLN 81 HB1 GLN 81 -11.079 -2.075 -7.140 425 HG2 GLN 81 HG2 GLN 81 -9.153 -3.363 -9.054 426 HG3 GLN 81 HG1 GLN 81 -10.527 -4.197 -8.329 427 HE21 GLN 81 HE21 GLN 81 -9.504 -1.797 -10.608 428 HE22 GLN 81 HE22 GLN 81 -11.028 -1.591 -11.395 429 H LEU 82 HN LEU 82 -7.886 -0.395 -5.705 430 HA LEU 82 HA LEU 82 -9.936 1.136 -4.333 431 HB2 LEU 82 HB2 LEU 82 -8.429 -0.455 -3.141 432 HB3 LEU 82 HB1 LEU 82 -7.077 0.590 -3.524 433 HG LEU 82 HG LEU 82 -8.345 2.419 -2.254 434 HD11 LEU 82 HD11 LEU 82 -9.911 1.633 -0.560 435 HD12 LEU 82 HD12 LEU 82 -9.832 0.003 -1.231 436 HD13 LEU 82 HD13 LEU 82 -10.512 1.323 -2.186 437 HD21 LEU 82 HD21 LEU 82 -7.537 1.576 -0.075 438 HD22 LEU 82 HD22 LEU 82 -6.351 1.421 -1.371 439 HD23 LEU 82 HD23 LEU 82 -7.251 0.006 -0.824 440 H PHE 83 HN PHE 83 -6.599 1.711 -5.469 441 HA PHE 83 HA PHE 83 -7.060 4.597 -5.313 442 HB2 PHE 83 HB2 PHE 83 -4.497 3.101 -5.893 443 HB3 PHE 83 HB1 PHE 83 -4.648 4.833 -5.621 444 HD1 PHE 83 HD1 PHE 83 -6.085 5.260 -3.291 445 HD2 PHE 83 HD2 PHE 83 -3.523 1.993 -4.177 446 HE1 PHE 83 HE1 PHE 83 -5.709 4.906 -0.886 447 HE2 PHE 83 HE2 PHE 83 -3.141 1.623 -1.776 448 HZ PHE 83 HZ PHE 83 -4.236 3.088 -0.123 449 H HIS 84 HN HIS 84 -8.520 3.400 -7.292 450 HA HIS 84 HA HIS 84 -7.174 3.308 -9.797 451 HB2 HIS 84 HB2 HIS 84 -9.405 3.137 -10.797 452 HB3 HIS 84 HB1 HIS 84 -9.247 2.053 -9.424 453 HD2 HIS 84 HD2 HIS 84 -10.411 3.336 -6.976 454 HE1 HIS 84 HE1 HIS 84 -13.377 5.138 -9.397 455 HE2 HIS 84 HE2 HIS 84 -12.715 4.528 -7.030 456 H GLU 85 HN GLU 85 -8.193 5.895 -7.871 457 HA GLU 85 HA GLU 85 -8.440 7.713 -10.147 458 HB2 GLU 85 HB2 GLU 85 -8.737 8.299 -7.195 459 HB3 GLU 85 HB1 GLU 85 -9.191 9.355 -8.525 460 HG2 GLU 85 HG2 GLU 85 -10.426 6.673 -8.451 461 HG3 GLU 85 HG1 GLU 85 -10.931 7.837 -7.231 462 H HIS 86 HN HIS 86 -6.106 6.522 -8.030 463 HA HIS 86 HA HIS 86 -4.290 8.719 -8.726 464 HB2 HIS 86 HB2 HIS 86 -4.417 7.462 -5.978 465 HB3 HIS 86 HB1 HIS 86 -3.338 8.752 -6.492 466 HD2 HIS 86 HD2 HIS 86 -4.569 11.284 -6.789 467 HE1 HIS 86 HE1 HIS 86 -8.123 10.126 -4.803 468 HE2 HIS 86 HE2 HIS 86 -6.794 12.086 -5.712 469 HA PRO 87 HA PRO 87 -2.551 4.543 -9.813 470 HB2 PRO 87 HB2 PRO 87 -1.258 5.504 -12.044 471 HB3 PRO 87 HB1 PRO 87 -2.905 4.843 -12.059 472 HG2 PRO 87 HG2 PRO 87 -2.009 7.685 -12.005 473 HG3 PRO 87 HG1 PRO 87 -3.348 6.935 -12.897 474 HD2 PRO 87 HD2 PRO 87 -3.760 8.356 -10.652 475 HD3 PRO 87 HD1 PRO 87 -4.748 6.940 -11.065 476 H ASP 88 HN ASP 88 -1.217 7.727 -9.427 477 HA ASP 88 HA ASP 88 1.524 7.080 -9.488 478 HB2 ASP 88 HB2 ASP 88 -0.037 9.319 -8.214 479 HB3 ASP 88 HB1 ASP 88 1.712 9.206 -8.046 480 H LEU 89 HN LEU 89 -0.920 6.600 -7.086 481 HA LEU 89 HA LEU 89 1.008 6.192 -4.952 482 HB2 LEU 89 HB2 LEU 89 -1.984 5.741 -5.001 483 HB3 LEU 89 HB1 LEU 89 -0.961 5.666 -3.578 484 HG LEU 89 HG LEU 89 -1.536 8.133 -5.235 485 HD11 LEU 89 HD11 LEU 89 -2.297 7.561 -2.381 486 HD12 LEU 89 HD12 LEU 89 -3.366 7.239 -3.745 487 HD13 LEU 89 HD13 LEU 89 -2.839 8.888 -3.410 488 HD21 LEU 89 HD21 LEU 89 0.149 7.763 -2.761 489 HD22 LEU 89 HD22 LEU 89 -0.322 9.323 -3.432 490 HD23 LEU 89 HD23 LEU 89 0.712 8.238 -4.360 491 H ILE 90 HN ILE 90 -0.873 4.315 -7.221 492 HA ILE 90 HA ILE 90 -0.703 1.800 -5.968 493 HB ILE 90 HB ILE 90 -0.813 2.333 -8.940 494 HG12 ILE 90 HG12 ILE 90 -3.112 1.953 -7.002 495 HG13 ILE 90 HG11 ILE 90 -2.615 3.498 -7.690 496 HG21 ILE 90 HG21 ILE 90 -2.049 0.100 -8.884 497 HG22 ILE 90 HG22 ILE 90 -1.388 -0.094 -7.259 498 HG23 ILE 90 HG23 ILE 90 -0.302 0.062 -8.640 499 HD11 ILE 90 HD11 ILE 90 -4.530 2.574 -8.857 500 HD12 ILE 90 HD12 ILE 90 -3.600 1.126 -9.248 501 HD13 ILE 90 HD13 ILE 90 -3.128 2.686 -9.917 502 H VAL 91 HN VAL 91 1.293 3.237 -8.533 503 HA VAL 91 HA VAL 91 3.152 1.130 -8.702 504 HB VAL 91 HB VAL 91 3.707 4.039 -9.326 505 HG11 VAL 91 HG11 VAL 91 5.672 2.565 -9.320 506 HG12 VAL 91 HG12 VAL 91 5.297 3.134 -10.945 507 HG13 VAL 91 HG13 VAL 91 4.871 1.490 -10.466 508 HG21 VAL 91 HG21 VAL 91 2.545 1.954 -11.176 509 HG22 VAL 91 HG22 VAL 91 2.851 3.655 -11.536 510 HG23 VAL 91 HG23 VAL 91 1.602 3.208 -10.374 511 H GLY 92 HN GLY 92 2.831 3.800 -6.527 512 HA2 GLY 92 HA2 GLY 92 5.428 3.948 -5.490 513 HA3 GLY 92 HA1 GLY 92 3.962 4.365 -4.611 514 H PHE 93 HN PHE 93 2.740 1.812 -4.726 515 HA PHE 93 HA PHE 93 3.906 0.574 -2.469 516 HB2 PHE 93 HB2 PHE 93 1.593 0.284 -2.634 517 HB3 PHE 93 HB1 PHE 93 1.666 -0.113 -4.344 518 HD1 PHE 93 HD1 PHE 93 2.874 -1.459 -1.086 519 HD2 PHE 93 HD2 PHE 93 1.299 -2.292 -4.946 520 HE1 PHE 93 HE1 PHE 93 2.780 -3.853 -0.522 521 HE2 PHE 93 HE2 PHE 93 1.200 -4.685 -4.394 522 HZ PHE 93 HZ PHE 93 1.938 -5.472 -2.178 523 H ASN 94 HN ASN 94 3.963 -0.140 -5.916 524 HA ASN 94 HA ASN 94 5.220 -2.659 -5.758 525 HB2 ASN 94 HB2 ASN 94 4.101 -1.373 -7.772 526 HB3 ASN 94 HB1 ASN 94 5.751 -0.845 -8.069 527 HD21 ASN 94 HD21 ASN 94 4.316 -2.372 -9.883 528 HD22 ASN 94 HD22 ASN 94 5.040 -3.940 -9.996 529 H ALA 95 HN ALA 95 6.469 0.618 -5.779 530 HA ALA 95 HA ALA 95 9.222 -0.318 -5.918 531 HB1 ALA 95 HB1 ALA 95 8.238 2.514 -5.587 532 HB2 ALA 95 HB2 ALA 95 8.446 1.723 -7.148 533 HB3 ALA 95 HB3 ALA 95 9.841 1.987 -6.104 534 H PHE 96 HN PHE 96 6.979 -0.168 -3.564 535 HA PHE 96 HA PHE 96 8.877 0.681 -1.485 536 HB2 PHE 96 HB2 PHE 96 6.040 1.056 -1.842 537 HB3 PHE 96 HB1 PHE 96 6.351 0.224 -0.324 538 HD1 PHE 96 HD1 PHE 96 6.866 3.316 -2.219 539 HD2 PHE 96 HD2 PHE 96 7.486 1.325 1.489 540 HE1 PHE 96 HE1 PHE 96 7.438 5.464 -1.162 541 HE2 PHE 96 HE2 PHE 96 8.062 3.467 2.559 542 HZ PHE 96 HZ PHE 96 8.042 5.545 1.225 543 H LEU 97 HN LEU 97 8.027 -2.037 -3.007 544 HA LEU 97 HA LEU 97 7.472 -3.820 -0.873 545 HB2 LEU 97 HB2 LEU 97 8.443 -4.217 -3.691 546 HB3 LEU 97 HB1 LEU 97 8.208 -5.563 -2.591 547 HG LEU 97 HG LEU 97 5.992 -3.626 -3.261 548 HD11 LEU 97 HD11 LEU 97 6.710 -4.590 -5.348 549 HD12 LEU 97 HD12 LEU 97 5.198 -5.348 -4.845 550 HD13 LEU 97 HD13 LEU 97 6.727 -6.204 -4.639 551 HD21 LEU 97 HD21 LEU 97 4.636 -5.684 -2.629 552 HD22 LEU 97 HD22 LEU 97 5.465 -4.853 -1.314 553 HD23 LEU 97 HD23 LEU 97 6.133 -6.346 -1.976 554 HA PRO 98 HA PRO 98 11.660 -3.900 0.692 555 HB2 PRO 98 HB2 PRO 98 11.165 -5.639 2.733 556 HB3 PRO 98 HB1 PRO 98 10.760 -3.917 2.811 557 HG2 PRO 98 HG2 PRO 98 8.993 -6.241 2.278 558 HG3 PRO 98 HG1 PRO 98 8.679 -4.764 3.213 559 HD2 PRO 98 HD2 PRO 98 7.766 -5.155 0.675 560 HD3 PRO 98 HD1 PRO 98 8.110 -3.555 1.353 561 H SER 99 HN SER 99 9.753 -6.875 0.278 562 HA SER 99 HA SER 99 12.191 -8.405 -0.164 563 HB2 SER 99 HB2 SER 99 9.335 -9.401 -0.124 564 HB3 SER 99 HB1 SER 99 10.810 -10.360 0.019 565 HG SER 99 HG SER 99 10.982 -8.593 1.915 566 H GLY 100 HN GLY 100 12.539 -9.600 -2.083 567 HA2 GLY 100 HA2 GLY 100 10.791 -9.596 -4.295 568 HA3 GLY 100 HA1 GLY 100 11.934 -8.266 -4.459 569 HA PRO 101 HA PRO 101 14.168 -11.785 -6.268 570 HB2 PRO 101 HB2 PRO 101 15.425 -10.389 -8.200 571 HB3 PRO 101 HB1 PRO 101 13.720 -10.855 -8.340 572 HG2 PRO 101 HG2 PRO 101 14.899 -8.224 -7.658 573 HG3 PRO 101 HG1 PRO 101 13.462 -8.603 -8.621 574 HD2 PRO 101 HD2 PRO 101 13.424 -7.791 -5.976 575 HD3 PRO 101 HD1 PRO 101 12.105 -8.642 -6.803 576 H SER 102 HN SER 102 15.080 -9.194 -4.425 577 HA SER 102 HA SER 102 17.918 -9.305 -4.741 578 HB2 SER 102 HB2 SER 102 17.417 -8.183 -2.255 579 HB3 SER 102 HB1 SER 102 17.548 -7.305 -3.779 580 HG SER 102 HG SER 102 15.312 -7.961 -2.277 581 H SER 103 HN SER 103 19.393 -10.003 -3.043 582 HA SER 103 HA SER 103 18.813 -12.632 -2.146 583 HB2 SER 103 HB2 SER 103 21.107 -10.885 -1.254 584 HB3 SER 103 HB1 SER 103 21.056 -12.647 -1.349 585 HG SER 103 HG SER 103 21.610 -10.816 -3.288 586 H GLY 104 HN GLY 104 18.307 -13.411 -0.154 587 HA2 GLY 104 HA2 GLY 104 18.312 -13.119 2.270 588 HA3 GLY 104 HA1 GLY 104 17.941 -11.422 2.002 Start of MODEL 6 1 H1 GLY 25 HN GLY 25 11.669 22.970 -5.517 2 HA2 GLY 25 HA2 GLY 25 14.212 22.677 -6.684 3 HA3 GLY 25 HA1 GLY 25 14.302 22.146 -5.010 4 H SER 26 HN SER 26 14.072 20.036 -4.793 5 HA SER 26 HA SER 26 12.116 18.649 -6.494 6 HB2 SER 26 HB2 SER 26 14.586 17.206 -5.630 7 HB3 SER 26 HB1 SER 26 13.594 16.977 -7.070 8 HG SER 26 HG SER 26 15.543 17.940 -7.647 9 H SER 27 HN SER 27 10.854 17.149 -5.456 10 HA SER 27 HA SER 27 11.205 16.975 -2.543 11 HB2 SER 27 HB2 SER 27 8.687 16.378 -4.116 12 HB3 SER 27 HB1 SER 27 8.836 16.656 -2.379 13 HG SER 27 HG SER 27 9.012 18.500 -4.504 14 H GLY 28 HN GLY 28 12.431 15.210 -2.177 15 HA2 GLY 28 HA2 GLY 28 11.277 12.628 -2.720 16 HA3 GLY 28 HA1 GLY 28 12.770 12.935 -3.598 17 H SER 29 HN SER 29 11.667 11.378 -1.034 18 HA SER 29 HA SER 29 13.843 12.103 0.773 19 HB2 SER 29 HB2 SER 29 11.863 10.003 1.494 20 HB3 SER 29 HB1 SER 29 12.574 11.277 2.488 21 HG SER 29 HG SER 29 11.238 12.772 1.290 22 H SER 30 HN SER 30 15.491 11.185 -0.555 23 HA SER 30 HA SER 30 15.481 8.377 -1.153 24 HB2 SER 30 HB2 SER 30 17.900 10.167 -1.243 25 HB3 SER 30 HB1 SER 30 17.517 8.783 -2.268 26 HG SER 30 HG SER 30 15.750 10.049 -3.105 27 H GLY 31 HN GLY 31 16.394 6.756 -0.011 28 HA2 GLY 31 HA2 GLY 31 18.132 5.952 1.470 29 HA3 GLY 31 HA1 GLY 31 18.048 7.491 2.310 30 H VAL 32 HN VAL 32 16.437 4.431 1.777 31 HA VAL 32 HA VAL 32 14.711 4.952 4.091 32 HB VAL 32 HB VAL 32 13.501 2.865 3.387 33 HG11 VAL 32 HG11 VAL 32 12.312 3.954 1.513 34 HG12 VAL 32 HG12 VAL 32 13.603 5.154 1.421 35 HG13 VAL 32 HG13 VAL 32 12.600 5.045 2.868 36 HG21 VAL 32 HG21 VAL 32 15.172 3.164 0.889 37 HG22 VAL 32 HG22 VAL 32 13.831 2.041 1.115 38 HG23 VAL 32 HG23 VAL 32 15.302 1.861 2.070 39 H HIS 33 HN HIS 33 14.474 3.263 5.691 40 HA HIS 33 HA HIS 33 17.037 1.964 6.209 41 HB2 HIS 33 HB2 HIS 33 14.637 2.448 7.985 42 HB3 HIS 33 HB1 HIS 33 16.101 1.618 8.500 43 HD2 HIS 33 HD2 HIS 33 18.186 3.800 7.074 44 HE1 HIS 33 HE1 HIS 33 16.347 6.446 9.810 45 HE2 HIS 33 HE2 HIS 33 18.354 6.070 8.310 46 H VAL 34 HN VAL 34 16.177 -0.078 7.924 47 HA VAL 34 HA VAL 34 15.426 -2.064 5.986 48 HB VAL 34 HB VAL 34 15.616 -3.671 7.886 49 HG11 VAL 34 HG11 VAL 34 17.542 -3.164 6.495 50 HG12 VAL 34 HG12 VAL 34 18.039 -3.446 8.164 51 HG13 VAL 34 HG13 VAL 34 17.947 -1.801 7.536 52 HG21 VAL 34 HG21 VAL 34 16.320 -1.196 9.462 53 HG22 VAL 34 HG22 VAL 34 16.566 -2.851 10.012 54 HG23 VAL 34 HG23 VAL 34 14.932 -2.255 9.726 55 H GLU 35 HN GLU 35 13.814 -0.153 8.330 56 HA GLU 35 HA GLU 35 11.403 -1.814 8.070 57 HB2 GLU 35 HB2 GLU 35 12.238 -1.628 10.375 58 HB3 GLU 35 HB1 GLU 35 12.127 0.122 10.268 59 HG2 GLU 35 HG2 GLU 35 9.827 0.123 10.347 60 HG3 GLU 35 HG1 GLU 35 9.712 -1.544 9.774 61 H ASP 36 HN ASP 36 10.855 -0.853 6.101 62 HA ASP 36 HA ASP 36 9.980 1.954 6.261 63 HB2 ASP 36 HB2 ASP 36 10.128 1.950 3.780 64 HB3 ASP 36 HB1 ASP 36 11.677 1.624 4.546 65 H ALA 37 HN ALA 37 8.906 -1.127 6.402 66 HA ALA 37 HA ALA 37 6.658 -1.189 4.736 67 HB1 ALA 37 HB1 ALA 37 7.742 -3.130 5.924 68 HB2 ALA 37 HB2 ALA 37 5.981 -3.109 5.932 69 HB3 ALA 37 HB3 ALA 37 6.874 -2.623 7.373 70 H LEU 38 HN LEU 38 7.010 -0.000 8.068 71 HA LEU 38 HA LEU 38 4.167 0.511 8.252 72 HB2 LEU 38 HB2 LEU 38 4.927 1.658 10.460 73 HB3 LEU 38 HB1 LEU 38 4.915 -0.084 10.331 74 HG LEU 38 HG LEU 38 7.395 0.040 9.838 75 HD11 LEU 38 HD11 LEU 38 7.455 2.425 9.207 76 HD12 LEU 38 HD12 LEU 38 8.575 2.048 10.516 77 HD13 LEU 38 HD13 LEU 38 7.050 2.860 10.867 78 HD21 LEU 38 HD21 LEU 38 6.239 -0.463 12.065 79 HD22 LEU 38 HD22 LEU 38 6.692 1.180 12.524 80 HD23 LEU 38 HD23 LEU 38 7.939 0.003 12.109 81 H THR 39 HN THR 39 6.747 2.122 6.918 82 HA THR 39 HA THR 39 6.092 4.803 7.619 83 HB THR 39 HB THR 39 7.575 4.137 5.113 84 HG1 THR 39 HG1 THR 39 8.955 4.067 7.561 85 HG21 THR 39 HG21 THR 39 8.095 6.117 7.331 86 HG22 THR 39 HG22 THR 39 7.236 6.483 5.835 87 HG23 THR 39 HG23 THR 39 8.940 6.026 5.788 88 H TYR 40 HN TYR 40 5.585 2.842 4.696 89 HA TYR 40 HA TYR 40 4.104 4.879 3.348 90 HB2 TYR 40 HB2 TYR 40 5.394 3.128 2.171 91 HB3 TYR 40 HB1 TYR 40 4.265 1.917 2.761 92 HD1 TYR 40 HD1 TYR 40 2.545 1.268 1.380 93 HD2 TYR 40 HD2 TYR 40 4.260 5.120 0.817 94 HE1 TYR 40 HE1 TYR 40 1.132 1.600 -0.600 95 HE2 TYR 40 HE2 TYR 40 2.848 5.463 -1.166 96 HH TYR 40 HH TYR 40 1.663 3.877 -2.890 97 H LEU 41 HN LEU 41 3.283 2.730 5.813 98 HA LEU 41 HA LEU 41 0.591 2.160 5.118 99 HB2 LEU 41 HB2 LEU 41 2.297 1.246 7.009 100 HB3 LEU 41 HB1 LEU 41 1.319 2.327 7.982 101 HG LEU 41 HG LEU 41 0.509 0.022 8.096 102 HD11 LEU 41 HD11 LEU 41 -1.846 0.426 7.499 103 HD12 LEU 41 HD12 LEU 41 -1.357 1.890 6.648 104 HD13 LEU 41 HD13 LEU 41 -1.127 1.765 8.392 105 HD21 LEU 41 HD21 LEU 41 1.233 -0.735 5.900 106 HD22 LEU 41 HD22 LEU 41 0.017 0.287 5.139 107 HD23 LEU 41 HD23 LEU 41 -0.481 -1.067 6.154 108 H ASP 42 HN ASP 42 2.095 4.645 7.163 109 HA ASP 42 HA ASP 42 -0.369 5.828 7.947 110 HB2 ASP 42 HB2 ASP 42 1.745 6.063 9.228 111 HB3 ASP 42 HB1 ASP 42 2.385 7.081 7.937 112 H GLN 43 HN GLN 43 1.818 6.309 5.279 113 HA GLN 43 HA GLN 43 1.006 8.826 4.407 114 HB2 GLN 43 HB2 GLN 43 1.850 6.497 2.678 115 HB3 GLN 43 HB1 GLN 43 1.903 8.195 2.233 116 HG2 GLN 43 HG2 GLN 43 3.481 6.967 4.480 117 HG3 GLN 43 HG1 GLN 43 4.102 7.263 2.859 118 HE21 GLN 43 HE21 GLN 43 4.689 9.289 2.265 119 HE22 GLN 43 HE22 GLN 43 4.708 10.645 3.341 120 H VAL 44 HN VAL 44 -0.468 5.677 3.934 121 HA VAL 44 HA VAL 44 -2.381 6.444 1.981 122 HB VAL 44 HB VAL 44 -2.697 4.269 4.065 123 HG11 VAL 44 HG11 VAL 44 -3.928 4.658 1.337 124 HG12 VAL 44 HG12 VAL 44 -4.750 4.719 2.897 125 HG13 VAL 44 HG13 VAL 44 -4.078 3.197 2.314 126 HG21 VAL 44 HG21 VAL 44 -1.379 4.118 1.355 127 HG22 VAL 44 HG22 VAL 44 -1.696 2.753 2.428 128 HG23 VAL 44 HG23 VAL 44 -0.566 4.016 2.916 129 H LYS 45 HN LYS 45 -2.426 6.348 5.515 130 HA LYS 45 HA LYS 45 -5.129 7.044 5.871 131 HB2 LYS 45 HB2 LYS 45 -3.823 6.092 7.678 132 HB3 LYS 45 HB1 LYS 45 -2.734 7.472 7.663 133 HG2 LYS 45 HG2 LYS 45 -4.611 8.919 8.366 134 HG3 LYS 45 HG1 LYS 45 -5.645 7.493 8.462 135 HD2 LYS 45 HD2 LYS 45 -4.953 7.211 10.552 136 HD3 LYS 45 HD1 LYS 45 -3.336 6.878 9.935 137 HE2 LYS 45 HE2 LYS 45 -4.437 9.585 10.687 138 HE3 LYS 45 HE1 LYS 45 -3.274 8.643 11.614 139 HZ1 LYS 45 HZ1 LYS 45 -2.050 10.241 10.425 140 HZ2 LYS 45 HZ2 LYS 45 -2.872 9.941 8.981 141 HZ3 LYS 45 HZ3 LYS 45 -1.788 8.789 9.593 142 H ILE 46 HN ILE 46 -2.211 8.983 5.519 143 HA ILE 46 HA ILE 46 -3.485 11.482 6.082 144 HB ILE 46 HB ILE 46 -0.889 10.994 4.612 145 HG12 ILE 46 HG12 ILE 46 -1.261 11.615 7.544 146 HG13 ILE 46 HG11 ILE 46 -1.062 9.978 6.926 147 HG21 ILE 46 HG21 ILE 46 -1.684 13.231 4.257 148 HG22 ILE 46 HG22 ILE 46 -0.340 13.278 5.398 149 HG23 ILE 46 HG23 ILE 46 -1.996 13.435 5.981 150 HD11 ILE 46 HD11 ILE 46 1.128 10.570 6.049 151 HD12 ILE 46 HD12 ILE 46 1.023 10.871 7.782 152 HD13 ILE 46 HD13 ILE 46 0.927 12.217 6.647 153 H ARG 47 HN ARG 47 -2.521 9.803 3.106 154 HA ARG 47 HA ARG 47 -3.241 11.782 1.278 155 HB2 ARG 47 HB2 ARG 47 -2.796 8.859 1.171 156 HB3 ARG 47 HB1 ARG 47 -3.772 9.537 -0.129 157 HG2 ARG 47 HG2 ARG 47 -1.146 10.772 0.594 158 HG3 ARG 47 HG1 ARG 47 -1.217 9.336 -0.430 159 HD2 ARG 47 HD2 ARG 47 -2.864 10.616 -1.875 160 HD3 ARG 47 HD1 ARG 47 -2.410 12.049 -0.952 161 HE ARG 47 HE ARG 47 -0.033 11.056 -1.785 162 HH11 ARG 47 HH11 ARG 47 -2.185 12.391 -4.899 163 HH12 ARG 47 HH12 ARG 47 -2.990 11.969 -3.423 164 HH21 ARG 47 HH21 ARG 47 1.022 11.615 -3.714 165 HH22 ARG 47 HH22 ARG 47 0.103 12.194 -5.068 166 H PHE 48 HN PHE 48 -5.166 9.217 2.751 167 HA PHE 48 HA PHE 48 -7.559 10.401 1.521 168 HB2 PHE 48 HB2 PHE 48 -7.002 7.611 2.515 169 HB3 PHE 48 HB1 PHE 48 -8.627 8.173 2.140 170 HD1 PHE 48 HD1 PHE 48 -9.188 8.847 -0.185 171 HD2 PHE 48 HD2 PHE 48 -5.485 6.993 0.804 172 HE1 PHE 48 HE1 PHE 48 -8.838 8.294 -2.552 173 HE2 PHE 48 HE2 PHE 48 -5.133 6.439 -1.565 174 HZ PHE 48 HZ PHE 48 -6.808 7.084 -3.243 175 H GLY 49 HN GLY 49 -6.417 11.670 3.705 176 HA2 GLY 49 HA2 GLY 49 -7.499 10.890 6.199 177 HA3 GLY 49 HA1 GLY 49 -6.918 12.500 5.798 178 H SER 50 HN SER 50 -8.814 12.686 3.520 179 HA SER 50 HA SER 50 -11.139 13.482 5.100 180 HB2 SER 50 HB2 SER 50 -10.436 14.151 2.231 181 HB3 SER 50 HB1 SER 50 -11.756 14.849 3.171 182 HG SER 50 HG SER 50 -9.396 15.828 2.993 183 H ASP 51 HN ASP 51 -10.228 10.772 3.581 184 HA ASP 51 HA ASP 51 -13.004 10.080 2.923 185 HB2 ASP 51 HB2 ASP 51 -11.701 10.492 0.808 186 HB3 ASP 51 HB1 ASP 51 -10.641 9.162 1.271 187 HA PRO 52 HA PRO 52 -11.260 7.146 5.977 188 HB2 PRO 52 HB2 PRO 52 -14.068 6.941 6.816 189 HB3 PRO 52 HB1 PRO 52 -12.652 7.435 7.756 190 HG2 PRO 52 HG2 PRO 52 -14.564 9.167 7.046 191 HG3 PRO 52 HG1 PRO 52 -12.863 9.638 7.203 192 HD2 PRO 52 HD2 PRO 52 -14.434 9.068 4.729 193 HD3 PRO 52 HD1 PRO 52 -13.221 10.328 5.035 194 H ALA 53 HN ALA 53 -13.726 6.933 3.591 195 HA ALA 53 HA ALA 53 -14.476 4.228 3.916 196 HB1 ALA 53 HB1 ALA 53 -15.734 5.936 2.602 197 HB2 ALA 53 HB2 ALA 53 -15.487 4.407 1.757 198 HB3 ALA 53 HB3 ALA 53 -14.493 5.806 1.355 199 H THR 54 HN THR 54 -12.097 5.776 1.751 200 HA THR 54 HA THR 54 -11.214 3.390 0.536 201 HB THR 54 HB THR 54 -9.560 5.880 0.961 202 HG1 THR 54 HG1 THR 54 -11.539 6.473 0.036 203 HG21 THR 54 HG21 THR 54 -8.562 5.206 -1.205 204 HG22 THR 54 HG22 THR 54 -9.514 3.724 -1.155 205 HG23 THR 54 HG23 THR 54 -8.282 4.019 0.072 206 H TYR 55 HN TYR 55 -10.015 5.133 3.384 207 HA TYR 55 HA TYR 55 -7.796 3.449 3.850 208 HB2 TYR 55 HB2 TYR 55 -8.156 5.745 4.842 209 HB3 TYR 55 HB1 TYR 55 -9.344 5.022 5.921 210 HD1 TYR 55 HD1 TYR 55 -5.938 3.883 4.837 211 HD2 TYR 55 HD2 TYR 55 -8.479 5.000 8.070 212 HE1 TYR 55 HE1 TYR 55 -4.159 3.304 6.431 213 HE2 TYR 55 HE2 TYR 55 -6.699 4.417 9.667 214 HH TYR 55 HH TYR 55 -3.471 3.710 8.636 215 H ASN 56 HN ASN 56 -11.152 3.380 4.962 216 HA ASN 56 HA ASN 56 -10.933 1.277 6.809 217 HB2 ASN 56 HB2 ASN 56 -13.036 2.765 5.525 218 HB3 ASN 56 HB1 ASN 56 -13.452 1.057 5.573 219 HD21 ASN 56 HD21 ASN 56 -14.477 3.450 7.011 220 HD22 ASN 56 HD22 ASN 56 -14.416 3.018 8.685 221 H GLY 57 HN GLY 57 -11.759 1.255 3.353 222 HA2 GLY 57 HA2 GLY 57 -12.112 -1.515 3.082 223 HA3 GLY 57 HA1 GLY 57 -11.659 -0.424 1.780 224 H PHE 58 HN PHE 58 -9.210 0.478 2.678 225 HA PHE 58 HA PHE 58 -7.449 -1.477 1.785 226 HB2 PHE 58 HB2 PHE 58 -6.705 0.764 1.682 227 HB3 PHE 58 HB1 PHE 58 -7.054 1.047 3.384 228 HD1 PHE 58 HD1 PHE 58 -5.356 0.933 4.941 229 HD2 PHE 58 HD2 PHE 58 -4.831 -0.936 1.154 230 HE1 PHE 58 HE1 PHE 58 -3.011 0.449 5.511 231 HE2 PHE 58 HE2 PHE 58 -2.486 -1.423 1.718 232 HZ PHE 58 HZ PHE 58 -1.574 -0.732 3.898 233 H LEU 59 HN LEU 59 -8.316 -0.567 5.088 234 HA LEU 59 HA LEU 59 -6.495 -2.274 6.395 235 HB2 LEU 59 HB2 LEU 59 -9.138 -1.152 7.322 236 HB3 LEU 59 HB1 LEU 59 -7.992 -1.980 8.360 237 HG LEU 59 HG LEU 59 -7.313 0.526 6.836 238 HD11 LEU 59 HD11 LEU 59 -9.117 1.045 8.363 239 HD12 LEU 59 HD12 LEU 59 -7.601 1.695 8.990 240 HD13 LEU 59 HD13 LEU 59 -8.281 0.219 9.676 241 HD21 LEU 59 HD21 LEU 59 -5.982 -1.014 9.048 242 HD22 LEU 59 HD22 LEU 59 -5.547 0.640 8.622 243 HD23 LEU 59 HD23 LEU 59 -5.352 -0.651 7.439 244 H GLU 60 HN GLU 60 -9.786 -2.762 5.244 245 HA GLU 60 HA GLU 60 -10.138 -5.309 6.464 246 HB2 GLU 60 HB2 GLU 60 -11.564 -4.025 4.132 247 HB3 GLU 60 HB1 GLU 60 -12.070 -5.521 4.903 248 HG2 GLU 60 HG2 GLU 60 -12.044 -2.754 6.052 249 HG3 GLU 60 HG1 GLU 60 -13.423 -3.824 5.806 250 H ILE 61 HN ILE 61 -9.053 -4.249 3.276 251 HA ILE 61 HA ILE 61 -8.908 -6.839 2.119 252 HB ILE 61 HB ILE 61 -7.301 -4.388 1.362 253 HG12 ILE 61 HG12 ILE 61 -9.886 -5.358 0.138 254 HG13 ILE 61 HG11 ILE 61 -9.824 -4.119 1.389 255 HG21 ILE 61 HG21 ILE 61 -7.207 -5.478 -0.862 256 HG22 ILE 61 HG22 ILE 61 -7.961 -6.908 -0.157 257 HG23 ILE 61 HG23 ILE 61 -6.367 -6.388 0.396 258 HD11 ILE 61 HD11 ILE 61 -8.650 -3.983 -1.370 259 HD12 ILE 61 HD12 ILE 61 -8.397 -2.765 -0.119 260 HD13 ILE 61 HD13 ILE 61 -10.020 -3.073 -0.739 261 H MET 62 HN MET 62 -6.660 -4.879 3.965 262 HA MET 62 HA MET 62 -4.316 -6.332 3.542 263 HB2 MET 62 HB2 MET 62 -5.282 -4.395 5.523 264 HB3 MET 62 HB1 MET 62 -4.054 -5.488 6.142 265 HG2 MET 62 HG2 MET 62 -3.559 -4.171 3.531 266 HG3 MET 62 HG1 MET 62 -3.452 -3.195 4.992 267 HE1 MET 62 HE1 MET 62 -2.536 -6.976 4.287 268 HE2 MET 62 HE2 MET 62 -0.797 -6.845 4.038 269 HE3 MET 62 HE3 MET 62 -1.909 -6.103 2.887 270 H LYS 63 HN LYS 63 -7.036 -6.962 5.635 271 HA LYS 63 HA LYS 63 -5.866 -8.895 7.300 272 HB2 LYS 63 HB2 LYS 63 -8.732 -8.571 6.398 273 HB3 LYS 63 HB1 LYS 63 -8.212 -9.664 7.668 274 HG2 LYS 63 HG2 LYS 63 -7.596 -7.886 9.092 275 HG3 LYS 63 HG1 LYS 63 -7.712 -6.708 7.785 276 HD2 LYS 63 HD2 LYS 63 -10.102 -7.009 7.665 277 HD3 LYS 63 HD1 LYS 63 -10.031 -8.295 8.868 278 HE2 LYS 63 HE2 LYS 63 -9.202 -6.678 10.528 279 HE3 LYS 63 HE1 LYS 63 -9.313 -5.400 9.318 280 HZ1 LYS 63 HZ1 LYS 63 -11.689 -5.736 9.201 281 HZ2 LYS 63 HZ2 LYS 63 -11.228 -5.440 10.806 282 HZ3 LYS 63 HZ3 LYS 63 -11.596 -7.013 10.311 283 H GLU 64 HN GLU 64 -7.598 -9.178 4.239 284 HA GLU 64 HA GLU 64 -7.669 -11.971 4.064 285 HB2 GLU 64 HB2 GLU 64 -7.425 -10.103 1.713 286 HB3 GLU 64 HB1 GLU 64 -8.215 -11.674 1.764 287 HG2 GLU 64 HG2 GLU 64 -9.952 -10.798 3.191 288 HG3 GLU 64 HG1 GLU 64 -9.132 -9.243 3.285 289 H PHE 65 HN PHE 65 -5.160 -9.675 3.148 290 HA PHE 65 HA PHE 65 -3.547 -11.493 1.700 291 HB2 PHE 65 HB2 PHE 65 -3.396 -8.981 1.632 292 HB3 PHE 65 HB1 PHE 65 -2.600 -9.054 3.202 293 HD1 PHE 65 HD1 PHE 65 -0.284 -9.198 3.286 294 HD2 PHE 65 HD2 PHE 65 -2.327 -10.433 -0.238 295 HE1 PHE 65 HE1 PHE 65 1.875 -9.536 2.153 296 HE2 PHE 65 HE2 PHE 65 -0.170 -10.774 -1.373 297 HZ PHE 65 HZ PHE 65 1.930 -10.323 -0.180 298 H LYS 66 HN LYS 66 -3.562 -10.468 5.084 299 HA LYS 66 HA LYS 66 -1.302 -12.067 5.806 300 HB2 LYS 66 HB2 LYS 66 -3.393 -10.685 7.496 301 HB3 LYS 66 HB1 LYS 66 -1.955 -11.473 8.139 302 HG2 LYS 66 HG2 LYS 66 -0.554 -9.938 6.812 303 HG3 LYS 66 HG1 LYS 66 -2.018 -9.120 6.260 304 HD2 LYS 66 HD2 LYS 66 -0.999 -7.904 8.108 305 HD3 LYS 66 HD1 LYS 66 -2.567 -8.556 8.579 306 HE2 LYS 66 HE2 LYS 66 -1.607 -10.229 9.895 307 HE3 LYS 66 HE1 LYS 66 -0.024 -10.040 9.144 308 HZ1 LYS 66 HZ1 LYS 66 -0.454 -9.068 11.480 309 HZ2 LYS 66 HZ2 LYS 66 -1.218 -7.808 10.654 310 HZ3 LYS 66 HZ3 LYS 66 0.413 -8.146 10.362 311 H SER 67 HN SER 67 -4.711 -12.618 5.561 312 HA SER 67 HA SER 67 -4.719 -14.974 7.208 313 HB2 SER 67 HB2 SER 67 -6.750 -13.908 5.224 314 HB3 SER 67 HB1 SER 67 -7.020 -15.288 6.289 315 HG SER 67 HG SER 67 -7.212 -13.987 7.965 316 H GLN 68 HN GLN 68 -3.202 -14.428 4.448 317 HA GLN 68 HA GLN 68 -2.312 -15.692 2.789 318 HB2 GLN 68 HB2 GLN 68 -3.275 -17.955 4.545 319 HB3 GLN 68 HB1 GLN 68 -2.269 -18.176 3.117 320 HG2 GLN 68 HG2 GLN 68 -0.534 -16.793 4.128 321 HG3 GLN 68 HG1 GLN 68 -1.536 -16.587 5.564 322 HE21 GLN 68 HE21 GLN 68 -1.718 -18.252 7.022 323 HE22 GLN 68 HE22 GLN 68 -0.733 -19.672 6.954 324 H SER 69 HN SER 69 -5.012 -14.735 2.543 325 HA SER 69 HA SER 69 -6.389 -16.844 1.079 326 HB2 SER 69 HB2 SER 69 -7.322 -14.009 1.549 327 HB3 SER 69 HB1 SER 69 -8.303 -15.413 1.115 328 HG SER 69 HG SER 69 -7.389 -16.297 3.196 329 H ILE 70 HN ILE 70 -4.511 -13.985 0.526 330 HA ILE 70 HA ILE 70 -4.673 -14.451 -2.358 331 HB ILE 70 HB ILE 70 -4.588 -11.901 -2.653 332 HG12 ILE 70 HG12 ILE 70 -5.867 -11.987 0.089 333 HG13 ILE 70 HG11 ILE 70 -4.237 -11.409 -0.237 334 HG21 ILE 70 HG21 ILE 70 -6.507 -13.465 -3.178 335 HG22 ILE 70 HG22 ILE 70 -6.921 -11.770 -2.929 336 HG23 ILE 70 HG23 ILE 70 -7.215 -12.944 -1.648 337 HD11 ILE 70 HD11 ILE 70 -5.196 -9.663 -1.689 338 HD12 ILE 70 HD12 ILE 70 -5.717 -9.542 -0.009 339 HD13 ILE 70 HD13 ILE 70 -6.808 -10.207 -1.226 340 H ASP 71 HN ASP 71 -2.871 -13.512 -3.542 341 HA ASP 71 HA ASP 71 -0.502 -13.118 -1.836 342 HB2 ASP 71 HB2 ASP 71 -0.772 -14.623 -4.440 343 HB3 ASP 71 HB1 ASP 71 0.786 -14.094 -3.824 344 H THR 72 HN THR 72 1.230 -12.490 -4.031 345 HA THR 72 HA THR 72 1.096 -9.780 -4.147 346 HB THR 72 HB THR 72 2.178 -11.149 -6.558 347 HG1 THR 72 HG1 THR 72 3.925 -11.936 -5.308 348 HG21 THR 72 HG21 THR 72 4.063 -9.642 -6.136 349 HG22 THR 72 HG22 THR 72 3.291 -9.096 -4.649 350 HG23 THR 72 HG23 THR 72 2.542 -8.752 -6.206 351 HA PRO 73 HA PRO 73 -1.096 -9.722 -8.468 352 HB2 PRO 73 HB2 PRO 73 -2.481 -11.993 -9.171 353 HB3 PRO 73 HB1 PRO 73 -0.836 -11.615 -9.715 354 HG2 PRO 73 HG2 PRO 73 -1.729 -13.416 -7.521 355 HG3 PRO 73 HG1 PRO 73 -0.442 -13.645 -8.722 356 HD2 PRO 73 HD2 PRO 73 0.090 -12.904 -6.190 357 HD3 PRO 73 HD1 PRO 73 1.049 -12.331 -7.568 358 H GLY 74 HN GLY 74 -2.530 -11.755 -5.970 359 HA2 GLY 74 HA2 GLY 74 -5.218 -10.992 -6.405 360 HA3 GLY 74 HA1 GLY 74 -4.576 -11.699 -4.931 361 H VAL 75 HN VAL 75 -2.736 -9.763 -4.170 362 HA VAL 75 HA VAL 75 -4.514 -7.820 -3.058 363 HB VAL 75 HB VAL 75 -2.551 -8.794 -1.825 364 HG11 VAL 75 HG11 VAL 75 -0.358 -7.807 -2.140 365 HG12 VAL 75 HG12 VAL 75 -0.952 -6.880 -3.517 366 HG13 VAL 75 HG13 VAL 75 -0.887 -8.640 -3.598 367 HG21 VAL 75 HG21 VAL 75 -2.018 -6.735 -0.637 368 HG22 VAL 75 HG22 VAL 75 -3.736 -6.806 -1.033 369 HG23 VAL 75 HG23 VAL 75 -2.651 -5.780 -1.976 370 H ILE 76 HN ILE 76 -2.097 -7.792 -5.635 371 HA ILE 76 HA ILE 76 -1.974 -5.002 -5.984 372 HB ILE 76 HB ILE 76 -1.464 -7.257 -7.925 373 HG12 ILE 76 HG12 ILE 76 0.411 -5.300 -6.588 374 HG13 ILE 76 HG11 ILE 76 0.099 -6.937 -6.017 375 HG21 ILE 76 HG21 ILE 76 -1.156 -4.295 -8.365 376 HG22 ILE 76 HG22 ILE 76 -2.129 -5.427 -9.305 377 HG23 ILE 76 HG23 ILE 76 -0.367 -5.517 -9.362 378 HD11 ILE 76 HD11 ILE 76 1.237 -6.271 -8.721 379 HD12 ILE 76 HD12 ILE 76 1.071 -7.872 -7.995 380 HD13 ILE 76 HD13 ILE 76 2.197 -6.700 -7.306 381 H ARG 77 HN ARG 77 -4.173 -7.449 -7.246 382 HA ARG 77 HA ARG 77 -5.538 -5.873 -9.118 383 HB2 ARG 77 HB2 ARG 77 -5.734 -8.363 -8.832 384 HB3 ARG 77 HB1 ARG 77 -6.733 -8.068 -7.417 385 HG2 ARG 77 HG2 ARG 77 -8.422 -7.015 -8.745 386 HG3 ARG 77 HG1 ARG 77 -7.405 -7.077 -10.182 387 HD2 ARG 77 HD2 ARG 77 -9.098 -8.826 -10.229 388 HD3 ARG 77 HD1 ARG 77 -7.481 -9.518 -10.131 389 HE ARG 77 HE ARG 77 -9.195 -9.222 -7.748 390 HH11 ARG 77 HH11 ARG 77 -7.291 -12.584 -8.829 391 HH12 ARG 77 HH12 ARG 77 -7.249 -11.211 -9.885 392 HH21 ARG 77 HH21 ARG 77 -9.222 -11.025 -6.368 393 HH22 ARG 77 HH22 ARG 77 -8.418 -12.489 -6.842 394 H ARG 78 HN ARG 78 -5.730 -6.054 -5.657 395 HA ARG 78 HA ARG 78 -8.177 -4.533 -5.471 396 HB2 ARG 78 HB2 ARG 78 -6.182 -5.170 -3.292 397 HB3 ARG 78 HB1 ARG 78 -7.849 -4.655 -3.081 398 HG2 ARG 78 HG2 ARG 78 -7.225 -7.177 -4.559 399 HG3 ARG 78 HG1 ARG 78 -7.242 -7.145 -2.795 400 HD2 ARG 78 HD2 ARG 78 -9.560 -5.813 -3.843 401 HD3 ARG 78 HD1 ARG 78 -9.431 -7.439 -4.519 402 HE ARG 78 HE ARG 78 -9.154 -8.136 -2.074 403 HH11 ARG 78 HH11 ARG 78 -11.126 -5.436 -3.114 404 HH12 ARG 78 HH12 ARG 78 -12.190 -5.525 -1.746 405 HH21 ARG 78 HH21 ARG 78 -11.862 -7.144 -0.138 406 HH22 ARG 78 HH22 ARG 78 -10.532 -8.262 -0.273 407 H VAL 79 HN VAL 79 -4.725 -4.023 -5.003 408 HA VAL 79 HA VAL 79 -4.781 -1.378 -4.084 409 HB VAL 79 HB VAL 79 -2.669 -2.765 -5.745 410 HG11 VAL 79 HG11 VAL 79 -2.494 -0.286 -5.793 411 HG12 VAL 79 HG12 VAL 79 -1.119 -1.089 -5.035 412 HG13 VAL 79 HG13 VAL 79 -2.342 -0.309 -4.035 413 HG21 VAL 79 HG21 VAL 79 -1.537 -2.985 -3.509 414 HG22 VAL 79 HG22 VAL 79 -2.993 -3.958 -3.721 415 HG23 VAL 79 HG23 VAL 79 -3.061 -2.469 -2.779 416 H SER 80 HN SER 80 -4.532 -2.654 -7.391 417 HA SER 80 HA SER 80 -4.344 -0.186 -8.705 418 HB2 SER 80 HB2 SER 80 -5.467 -2.806 -9.713 419 HB3 SER 80 HB1 SER 80 -4.998 -1.441 -10.727 420 HG SER 80 HG SER 80 -2.866 -1.685 -9.918 421 H GLN 81 HN GLN 81 -7.105 -1.913 -7.454 422 HA GLN 81 HA GLN 81 -9.004 -0.292 -8.920 423 HB2 GLN 81 HB2 GLN 81 -9.235 -2.524 -6.931 424 HB3 GLN 81 HB1 GLN 81 -10.630 -1.528 -7.315 425 HG2 GLN 81 HG2 GLN 81 -9.013 -3.034 -9.346 426 HG3 GLN 81 HG1 GLN 81 -10.512 -3.613 -8.625 427 HE21 GLN 81 HE21 GLN 81 -9.077 -1.392 -10.860 428 HE22 GLN 81 HE22 GLN 81 -10.550 -0.849 -11.587 429 H LEU 82 HN LEU 82 -7.806 -0.572 -5.606 430 HA LEU 82 HA LEU 82 -9.588 1.279 -4.447 431 HB2 LEU 82 HB2 LEU 82 -7.778 -0.434 -3.465 432 HB3 LEU 82 HB1 LEU 82 -6.835 1.040 -3.371 433 HG LEU 82 HG LEU 82 -8.689 2.062 -2.040 434 HD11 LEU 82 HD11 LEU 82 -10.367 0.638 -1.060 435 HD12 LEU 82 HD12 LEU 82 -9.714 -0.767 -1.902 436 HD13 LEU 82 HD13 LEU 82 -10.466 0.539 -2.816 437 HD21 LEU 82 HD21 LEU 82 -8.127 0.847 0.030 438 HD22 LEU 82 HD22 LEU 82 -6.706 1.207 -0.951 439 HD23 LEU 82 HD23 LEU 82 -7.380 -0.424 -0.940 440 H PHE 83 HN PHE 83 -6.292 1.661 -5.705 441 HA PHE 83 HA PHE 83 -6.597 4.571 -5.483 442 HB2 PHE 83 HB2 PHE 83 -4.072 3.053 -6.166 443 HB3 PHE 83 HB1 PHE 83 -4.213 4.736 -5.674 444 HD1 PHE 83 HD1 PHE 83 -5.587 4.940 -3.323 445 HD2 PHE 83 HD2 PHE 83 -3.195 1.661 -4.594 446 HE1 PHE 83 HE1 PHE 83 -5.233 4.295 -0.973 447 HE2 PHE 83 HE2 PHE 83 -2.837 1.007 -2.246 448 HZ PHE 83 HZ PHE 83 -3.860 2.323 -0.432 449 H HIS 84 HN HIS 84 -8.157 3.453 -7.407 450 HA HIS 84 HA HIS 84 -6.964 3.226 -9.943 451 HB2 HIS 84 HB2 HIS 84 -9.178 3.277 -10.852 452 HB3 HIS 84 HB1 HIS 84 -9.259 2.405 -9.327 453 HD2 HIS 84 HD2 HIS 84 -10.077 4.370 -7.139 454 HE1 HIS 84 HE1 HIS 84 -12.694 6.196 -9.928 455 HE2 HIS 84 HE2 HIS 84 -12.101 5.966 -7.474 456 H GLU 85 HN GLU 85 -7.988 5.996 -8.102 457 HA GLU 85 HA GLU 85 -7.578 7.744 -10.411 458 HB2 GLU 85 HB2 GLU 85 -8.965 8.025 -7.789 459 HB3 GLU 85 HB1 GLU 85 -8.327 9.476 -8.552 460 HG2 GLU 85 HG2 GLU 85 -10.173 7.548 -9.934 461 HG3 GLU 85 HG1 GLU 85 -10.727 8.966 -9.043 462 H HIS 86 HN HIS 86 -5.621 6.331 -8.327 463 HA HIS 86 HA HIS 86 -3.811 8.631 -8.239 464 HB2 HIS 86 HB2 HIS 86 -4.531 6.849 -5.917 465 HB3 HIS 86 HB1 HIS 86 -3.074 7.831 -5.943 466 HD2 HIS 86 HD2 HIS 86 -3.608 10.680 -6.051 467 HE1 HIS 86 HE1 HIS 86 -7.481 10.178 -4.418 468 HE2 HIS 86 HE2 HIS 86 -5.658 11.850 -4.974 469 HA PRO 87 HA PRO 87 -1.947 4.702 -9.981 470 HB2 PRO 87 HB2 PRO 87 -0.627 6.030 -11.996 471 HB3 PRO 87 HB1 PRO 87 -2.256 5.353 -12.162 472 HG2 PRO 87 HG2 PRO 87 -1.430 8.159 -11.627 473 HG3 PRO 87 HG1 PRO 87 -2.711 7.537 -12.686 474 HD2 PRO 87 HD2 PRO 87 -3.254 8.568 -10.267 475 HD3 PRO 87 HD1 PRO 87 -4.181 7.209 -10.935 476 H ASP 88 HN ASP 88 -0.650 7.903 -9.310 477 HA ASP 88 HA ASP 88 2.073 7.296 -9.292 478 HB2 ASP 88 HB2 ASP 88 0.553 9.343 -7.664 479 HB3 ASP 88 HB1 ASP 88 2.303 9.286 -7.809 480 H LEU 89 HN LEU 89 -0.414 6.797 -6.887 481 HA LEU 89 HA LEU 89 1.363 6.200 -4.740 482 HB2 LEU 89 HB2 LEU 89 -1.558 5.583 -5.173 483 HB3 LEU 89 HB1 LEU 89 -0.695 5.185 -3.702 484 HG LEU 89 HG LEU 89 -1.073 7.986 -4.773 485 HD11 LEU 89 HD11 LEU 89 -2.399 6.638 -2.423 486 HD12 LEU 89 HD12 LEU 89 -3.164 6.937 -3.982 487 HD13 LEU 89 HD13 LEU 89 -2.656 8.294 -2.977 488 HD21 LEU 89 HD21 LEU 89 0.011 7.053 -2.119 489 HD22 LEU 89 HD22 LEU 89 -0.175 8.724 -2.653 490 HD23 LEU 89 HD23 LEU 89 0.987 7.667 -3.452 491 H ILE 90 HN ILE 90 -0.424 4.279 -7.110 492 HA ILE 90 HA ILE 90 0.330 1.737 -6.122 493 HB ILE 90 HB ILE 90 -0.261 2.381 -9.012 494 HG12 ILE 90 HG12 ILE 90 -2.281 1.669 -6.872 495 HG13 ILE 90 HG11 ILE 90 -1.984 3.319 -7.422 496 HG21 ILE 90 HG21 ILE 90 -1.237 0.055 -8.922 497 HG22 ILE 90 HG22 ILE 90 -0.459 -0.118 -7.349 498 HG23 ILE 90 HG23 ILE 90 0.518 0.157 -8.793 499 HD11 ILE 90 HD11 ILE 90 -3.954 2.236 -8.453 500 HD12 ILE 90 HD12 ILE 90 -2.870 1.073 -9.217 501 HD13 ILE 90 HD13 ILE 90 -2.751 2.786 -9.617 502 H VAL 91 HN VAL 91 1.699 3.864 -8.611 503 HA VAL 91 HA VAL 91 3.838 2.170 -9.367 504 HB VAL 91 HB VAL 91 3.620 5.193 -9.528 505 HG11 VAL 91 HG11 VAL 91 5.943 4.478 -9.657 506 HG12 VAL 91 HG12 VAL 91 5.382 5.057 -11.225 507 HG13 VAL 91 HG13 VAL 91 5.535 3.324 -10.927 508 HG21 VAL 91 HG21 VAL 91 3.173 3.134 -11.691 509 HG22 VAL 91 HG22 VAL 91 2.889 4.872 -11.789 510 HG23 VAL 91 HG23 VAL 91 1.880 3.871 -10.744 511 H GLY 92 HN GLY 92 3.471 4.661 -6.895 512 HA2 GLY 92 HA2 GLY 92 6.160 4.747 -6.059 513 HA3 GLY 92 HA1 GLY 92 4.769 5.195 -5.077 514 H PHE 93 HN PHE 93 3.467 2.663 -5.124 515 HA PHE 93 HA PHE 93 4.835 1.397 -2.985 516 HB2 PHE 93 HB2 PHE 93 2.383 1.396 -3.176 517 HB3 PHE 93 HB1 PHE 93 2.498 0.391 -4.617 518 HD1 PHE 93 HD1 PHE 93 3.729 0.387 -1.094 519 HD2 PHE 93 HD2 PHE 93 2.146 -1.868 -4.335 520 HE1 PHE 93 HE1 PHE 93 3.724 -1.632 0.309 521 HE2 PHE 93 HE2 PHE 93 2.140 -3.883 -2.935 522 HZ PHE 93 HZ PHE 93 2.936 -3.764 -0.607 523 H ASN 94 HN ASN 94 4.764 0.914 -6.416 524 HA ASN 94 HA ASN 94 5.715 -1.724 -6.548 525 HB2 ASN 94 HB2 ASN 94 5.501 0.580 -8.388 526 HB3 ASN 94 HB1 ASN 94 6.764 -0.578 -8.792 527 HD21 ASN 94 HD21 ASN 94 3.332 -0.151 -8.273 528 HD22 ASN 94 HD22 ASN 94 2.832 -1.558 -9.145 529 H ALA 95 HN ALA 95 7.264 1.310 -5.911 530 HA ALA 95 HA ALA 95 9.892 0.005 -5.928 531 HB1 ALA 95 HB1 ALA 95 9.292 2.959 -5.841 532 HB2 ALA 95 HB2 ALA 95 9.635 2.050 -7.312 533 HB3 ALA 95 HB3 ALA 95 10.868 2.202 -6.061 534 H PHE 96 HN PHE 96 7.522 0.316 -3.869 535 HA PHE 96 HA PHE 96 9.247 1.002 -1.576 536 HB2 PHE 96 HB2 PHE 96 6.886 2.249 -2.266 537 HB3 PHE 96 HB1 PHE 96 6.336 1.044 -1.104 538 HD1 PHE 96 HD1 PHE 96 7.847 4.232 -1.557 539 HD2 PHE 96 HD2 PHE 96 7.482 0.991 1.171 540 HE1 PHE 96 HE1 PHE 96 8.537 5.713 0.278 541 HE2 PHE 96 HE2 PHE 96 8.170 2.464 3.018 542 HZ PHE 96 HZ PHE 96 8.694 4.828 2.577 543 H LEU 97 HN LEU 97 9.076 -1.544 -2.864 544 HA LEU 97 HA LEU 97 7.660 -3.138 -0.848 545 HB2 LEU 97 HB2 LEU 97 8.348 -3.568 -3.700 546 HB3 LEU 97 HB1 LEU 97 8.404 -4.972 -2.653 547 HG LEU 97 HG LEU 97 5.984 -3.197 -2.840 548 HD11 LEU 97 HD11 LEU 97 6.396 -4.032 -5.057 549 HD12 LEU 97 HD12 LEU 97 5.045 -4.913 -4.343 550 HD13 LEU 97 HD13 LEU 97 6.637 -5.666 -4.436 551 HD21 LEU 97 HD21 LEU 97 4.858 -5.211 -1.967 552 HD22 LEU 97 HD22 LEU 97 6.076 -4.574 -0.862 553 HD23 LEU 97 HD23 LEU 97 6.426 -6.004 -1.833 554 HA PRO 98 HA PRO 98 11.809 -3.822 0.743 555 HB2 PRO 98 HB2 PRO 98 11.020 -5.239 2.928 556 HB3 PRO 98 HB1 PRO 98 10.907 -3.472 2.840 557 HG2 PRO 98 HG2 PRO 98 8.778 -5.515 2.440 558 HG3 PRO 98 HG1 PRO 98 8.711 -3.966 3.306 559 HD2 PRO 98 HD2 PRO 98 7.734 -4.285 0.802 560 HD3 PRO 98 HD1 PRO 98 8.412 -2.752 1.384 561 H SER 99 HN SER 99 9.494 -6.057 -0.369 562 HA SER 99 HA SER 99 11.420 -8.274 -0.198 563 HB2 SER 99 HB2 SER 99 8.446 -8.441 -0.739 564 HB3 SER 99 HB1 SER 99 9.542 -9.775 -0.371 565 HG SER 99 HG SER 99 9.906 -8.704 1.683 566 H GLY 100 HN GLY 100 12.618 -8.230 -2.003 567 HA2 GLY 100 HA2 GLY 100 11.253 -8.611 -4.537 568 HA3 GLY 100 HA1 GLY 100 12.235 -7.159 -4.427 569 HA PRO 101 HA PRO 101 15.108 -10.404 -5.890 570 HB2 PRO 101 HB2 PRO 101 16.387 -8.889 -7.710 571 HB3 PRO 101 HB1 PRO 101 14.796 -9.604 -8.037 572 HG2 PRO 101 HG2 PRO 101 15.505 -6.815 -7.301 573 HG3 PRO 101 HG1 PRO 101 14.284 -7.411 -8.440 574 HD2 PRO 101 HD2 PRO 101 13.747 -6.565 -5.875 575 HD3 PRO 101 HD1 PRO 101 12.709 -7.647 -6.821 576 H SER 102 HN SER 102 15.462 -8.875 -3.484 577 HA SER 102 HA SER 102 18.222 -7.926 -3.666 578 HB2 SER 102 HB2 SER 102 16.150 -7.748 -1.469 579 HB3 SER 102 HB1 SER 102 17.823 -7.225 -1.272 580 HG SER 102 HG SER 102 15.814 -6.162 -2.948 581 H SER 103 HN SER 103 19.564 -8.560 -1.597 582 HA SER 103 HA SER 103 19.864 -11.386 -1.670 583 HB2 SER 103 HB2 SER 103 21.165 -9.567 0.350 584 HB3 SER 103 HB1 SER 103 21.794 -11.056 -0.357 585 HG SER 103 HG SER 103 22.267 -8.639 -1.187 586 H GLY 104 HN GLY 104 18.075 -12.416 -0.865 587 HA2 GLY 104 HA2 GLY 104 17.724 -13.376 1.519 588 HA3 GLY 104 HA1 GLY 104 17.205 -11.731 1.855 Start of MODEL 7 1 H1 GLY 25 HN GLY 25 15.195 21.738 -3.764 2 HA2 GLY 25 HA2 GLY 25 14.543 23.033 -5.775 3 HA3 GLY 25 HA1 GLY 25 15.794 22.144 -6.630 4 H SER 26 HN SER 26 15.219 19.641 -5.337 5 HA SER 26 HA SER 26 12.636 19.010 -6.613 6 HB2 SER 26 HB2 SER 26 15.054 17.187 -6.376 7 HB3 SER 26 HB1 SER 26 13.542 16.832 -7.216 8 HG SER 26 HG SER 26 15.339 18.935 -7.875 9 H SER 27 HN SER 27 11.410 17.281 -5.625 10 HA SER 27 HA SER 27 11.883 17.131 -2.732 11 HB2 SER 27 HB2 SER 27 9.327 16.297 -4.084 12 HB3 SER 27 HB1 SER 27 9.569 16.917 -2.450 13 HG SER 27 HG SER 27 10.153 18.958 -3.493 14 H GLY 28 HN GLY 28 12.924 15.365 -2.095 15 HA2 GLY 28 HA2 GLY 28 11.910 12.764 -2.847 16 HA3 GLY 28 HA1 GLY 28 13.550 13.090 -3.391 17 H SER 29 HN SER 29 12.904 11.018 -1.628 18 HA SER 29 HA SER 29 14.362 11.906 0.758 19 HB2 SER 29 HB2 SER 29 12.145 9.873 0.944 20 HB3 SER 29 HB1 SER 29 12.920 10.771 2.253 21 HG SER 29 HG SER 29 11.319 11.934 0.205 22 H SER 30 HN SER 30 16.205 11.030 -0.313 23 HA SER 30 HA SER 30 16.257 8.204 -0.914 24 HB2 SER 30 HB2 SER 30 18.520 10.219 -0.888 25 HB3 SER 30 HB1 SER 30 18.591 8.593 -1.563 26 HG SER 30 HG SER 30 17.488 10.891 -2.594 27 H GLY 31 HN GLY 31 16.055 6.998 0.882 28 HA2 GLY 31 HA2 GLY 31 18.211 6.449 2.520 29 HA3 GLY 31 HA1 GLY 31 17.239 7.632 3.386 30 H VAL 32 HN VAL 32 16.826 4.611 1.548 31 HA VAL 32 HA VAL 32 14.378 3.901 2.756 32 HB VAL 32 HB VAL 32 14.757 1.651 1.851 33 HG11 VAL 32 HG11 VAL 32 14.596 2.220 -0.416 34 HG12 VAL 32 HG12 VAL 32 15.661 3.612 -0.227 35 HG13 VAL 32 HG13 VAL 32 14.034 3.652 0.445 36 HG21 VAL 32 HG21 VAL 32 16.781 1.071 0.655 37 HG22 VAL 32 HG22 VAL 32 17.187 1.526 2.308 38 HG23 VAL 32 HG23 VAL 32 17.470 2.660 0.990 39 H HIS 33 HN HIS 33 13.918 2.259 4.304 40 HA HIS 33 HA HIS 33 16.144 1.754 6.171 41 HB2 HIS 33 HB2 HIS 33 13.322 2.591 6.611 42 HB3 HIS 33 HB1 HIS 33 13.993 1.435 7.758 43 HD2 HIS 33 HD2 HIS 33 16.265 4.260 6.353 44 HE1 HIS 33 HE1 HIS 33 15.371 5.079 10.409 45 HE2 HIS 33 HE2 HIS 33 16.765 5.772 8.407 46 H VAL 34 HN VAL 34 15.508 -0.232 7.641 47 HA VAL 34 HA VAL 34 15.122 -2.443 5.831 48 HB VAL 34 HB VAL 34 15.478 -3.862 7.851 49 HG11 VAL 34 HG11 VAL 34 17.350 -3.160 6.449 50 HG12 VAL 34 HG12 VAL 34 17.827 -3.296 8.140 51 HG13 VAL 34 HG13 VAL 34 17.544 -1.708 7.431 52 HG21 VAL 34 HG21 VAL 34 14.532 -2.311 9.515 53 HG22 VAL 34 HG22 VAL 34 15.917 -1.246 9.284 54 HG23 VAL 34 HG23 VAL 34 16.149 -2.861 9.949 55 H GLU 35 HN GLU 35 13.219 -0.635 8.049 56 HA GLU 35 HA GLU 35 10.906 -2.256 7.382 57 HB2 GLU 35 HB2 GLU 35 11.719 -3.212 9.500 58 HB3 GLU 35 HB1 GLU 35 11.665 -1.619 10.246 59 HG2 GLU 35 HG2 GLU 35 9.155 -1.679 9.587 60 HG3 GLU 35 HG1 GLU 35 9.417 -3.420 9.453 61 H ASP 36 HN ASP 36 10.291 -0.488 6.145 62 HA ASP 36 HA ASP 36 9.450 1.869 7.691 63 HB2 ASP 36 HB2 ASP 36 9.452 2.922 5.272 64 HB3 ASP 36 HB1 ASP 36 10.929 2.824 6.215 65 H ALA 37 HN ALA 37 8.114 -0.721 7.103 66 HA ALA 37 HA ALA 37 6.049 -0.433 5.233 67 HB1 ALA 37 HB1 ALA 37 6.671 -2.569 6.283 68 HB2 ALA 37 HB2 ALA 37 4.944 -2.245 6.437 69 HB3 ALA 37 HB3 ALA 37 6.015 -2.000 7.818 70 H LEU 38 HN LEU 38 6.248 0.429 8.643 71 HA LEU 38 HA LEU 38 3.576 1.235 8.980 72 HB2 LEU 38 HB2 LEU 38 4.499 2.516 10.949 73 HB3 LEU 38 HB1 LEU 38 4.817 0.792 10.928 74 HG LEU 38 HG LEU 38 7.068 1.741 9.733 75 HD11 LEU 38 HD11 LEU 38 6.405 4.071 10.106 76 HD12 LEU 38 HD12 LEU 38 7.872 3.645 10.984 77 HD13 LEU 38 HD13 LEU 38 6.335 3.765 11.842 78 HD21 LEU 38 HD21 LEU 38 6.946 0.112 11.545 79 HD22 LEU 38 HD22 LEU 38 6.608 1.407 12.695 80 HD23 LEU 38 HD23 LEU 38 8.166 1.344 11.868 81 H THR 39 HN THR 39 6.359 2.840 7.651 82 HA THR 39 HA THR 39 5.404 5.491 7.846 83 HB THR 39 HB THR 39 7.228 4.626 5.628 84 HG1 THR 39 HG1 THR 39 8.241 5.089 8.227 85 HG21 THR 39 HG21 THR 39 7.282 6.996 7.512 86 HG22 THR 39 HG22 THR 39 6.589 7.012 5.890 87 HG23 THR 39 HG23 THR 39 8.320 6.748 6.106 88 H TYR 40 HN TYR 40 5.426 3.201 5.105 89 HA TYR 40 HA TYR 40 3.991 4.936 3.381 90 HB2 TYR 40 HB2 TYR 40 5.394 2.736 2.897 91 HB3 TYR 40 HB1 TYR 40 3.813 1.974 3.029 92 HD1 TYR 40 HD1 TYR 40 2.556 1.765 1.092 93 HD2 TYR 40 HD2 TYR 40 5.433 4.883 1.340 94 HE1 TYR 40 HE1 TYR 40 2.053 2.396 -1.230 95 HE2 TYR 40 HE2 TYR 40 4.940 5.524 -0.981 96 HH TYR 40 HH TYR 40 2.419 3.868 -2.860 97 H LEU 41 HN LEU 41 3.063 2.648 5.811 98 HA LEU 41 HA LEU 41 0.357 2.300 5.090 99 HB2 LEU 41 HB2 LEU 41 2.072 1.457 7.171 100 HB3 LEU 41 HB1 LEU 41 0.724 2.261 7.948 101 HG LEU 41 HG LEU 41 0.379 -0.164 7.765 102 HD11 LEU 41 HD11 LEU 41 -1.846 -0.097 6.675 103 HD12 LEU 41 HD12 LEU 41 -1.482 1.536 6.120 104 HD13 LEU 41 HD13 LEU 41 -1.589 1.195 7.846 105 HD21 LEU 41 HD21 LEU 41 1.552 -0.779 5.824 106 HD22 LEU 41 HD22 LEU 41 0.676 0.380 4.827 107 HD23 LEU 41 HD23 LEU 41 -0.151 -1.048 5.446 108 H ASP 42 HN ASP 42 2.013 4.672 7.120 109 HA ASP 42 HA ASP 42 -0.366 6.001 7.962 110 HB2 ASP 42 HB2 ASP 42 1.797 6.116 9.200 111 HB3 ASP 42 HB1 ASP 42 2.456 7.086 7.889 112 H GLN 43 HN GLN 43 1.798 6.284 5.256 113 HA GLN 43 HA GLN 43 1.120 8.834 4.339 114 HB2 GLN 43 HB2 GLN 43 1.975 6.379 2.794 115 HB3 GLN 43 HB1 GLN 43 1.876 7.992 2.104 116 HG2 GLN 43 HG2 GLN 43 3.662 7.158 4.376 117 HG3 GLN 43 HG1 GLN 43 4.161 7.395 2.703 118 HE21 GLN 43 HE21 GLN 43 4.230 9.478 1.851 119 HE22 GLN 43 HE22 GLN 43 4.274 10.877 2.863 120 H VAL 44 HN VAL 44 -0.385 5.696 3.783 121 HA VAL 44 HA VAL 44 -2.276 6.450 1.846 122 HB VAL 44 HB VAL 44 -2.560 4.364 4.027 123 HG11 VAL 44 HG11 VAL 44 -4.075 4.711 1.444 124 HG12 VAL 44 HG12 VAL 44 -4.711 4.929 3.076 125 HG13 VAL 44 HG13 VAL 44 -4.207 3.330 2.531 126 HG21 VAL 44 HG21 VAL 44 -1.648 4.016 1.169 127 HG22 VAL 44 HG22 VAL 44 -1.771 2.759 2.401 128 HG23 VAL 44 HG23 VAL 44 -0.582 4.050 2.572 129 H LYS 45 HN LYS 45 -2.329 6.576 5.359 130 HA LYS 45 HA LYS 45 -5.006 7.353 5.733 131 HB2 LYS 45 HB2 LYS 45 -3.454 6.500 7.501 132 HB3 LYS 45 HB1 LYS 45 -2.639 8.060 7.474 133 HG2 LYS 45 HG2 LYS 45 -4.839 9.111 8.065 134 HG3 LYS 45 HG1 LYS 45 -5.475 7.479 8.290 135 HD2 LYS 45 HD2 LYS 45 -4.821 7.818 10.416 136 HD3 LYS 45 HD1 LYS 45 -3.251 7.332 9.788 137 HE2 LYS 45 HE2 LYS 45 -4.144 10.199 9.863 138 HE3 LYS 45 HE1 LYS 45 -3.306 9.428 11.206 139 HZ1 LYS 45 HZ1 LYS 45 -1.700 10.543 9.899 140 HZ2 LYS 45 HZ2 LYS 45 -2.271 9.868 8.460 141 HZ3 LYS 45 HZ3 LYS 45 -1.482 8.891 9.600 142 H ILE 46 HN ILE 46 -2.077 9.217 5.123 143 HA ILE 46 HA ILE 46 -3.306 11.758 5.605 144 HB ILE 46 HB ILE 46 -0.800 11.189 4.019 145 HG12 ILE 46 HG12 ILE 46 -1.081 11.797 6.970 146 HG13 ILE 46 HG11 ILE 46 -0.757 10.201 6.302 147 HG21 ILE 46 HG21 ILE 46 -1.696 13.438 3.702 148 HG22 ILE 46 HG22 ILE 46 -0.197 13.485 4.631 149 HG23 ILE 46 HG23 ILE 46 -1.747 13.669 5.450 150 HD11 ILE 46 HD11 ILE 46 1.347 10.981 5.397 151 HD12 ILE 46 HD12 ILE 46 1.273 11.279 7.133 152 HD13 ILE 46 HD13 ILE 46 1.022 12.605 5.998 153 H ARG 47 HN ARG 47 -2.521 9.867 2.721 154 HA ARG 47 HA ARG 47 -3.373 11.763 0.824 155 HB2 ARG 47 HB2 ARG 47 -2.886 8.809 0.782 156 HB3 ARG 47 HB1 ARG 47 -3.692 9.568 -0.588 157 HG2 ARG 47 HG2 ARG 47 -1.037 10.476 0.494 158 HG3 ARG 47 HG1 ARG 47 -1.213 9.316 -0.824 159 HD2 ARG 47 HD2 ARG 47 -2.300 10.927 -2.195 160 HD3 ARG 47 HD1 ARG 47 -2.437 12.065 -0.858 161 HE ARG 47 HE ARG 47 0.279 11.470 -1.321 162 HH11 ARG 47 HH11 ARG 47 -1.402 14.358 -3.549 163 HH12 ARG 47 HH12 ARG 47 -2.403 13.208 -2.729 164 HH21 ARG 47 HH21 ARG 47 1.622 13.010 -2.370 165 HH22 ARG 47 HH22 ARG 47 0.896 14.253 -3.340 166 H PHE 48 HN PHE 48 -5.074 9.224 2.555 167 HA PHE 48 HA PHE 48 -7.573 10.121 1.285 168 HB2 PHE 48 HB2 PHE 48 -6.833 7.494 2.570 169 HB3 PHE 48 HB1 PHE 48 -8.489 7.918 2.143 170 HD1 PHE 48 HD1 PHE 48 -9.147 8.135 -0.204 171 HD2 PHE 48 HD2 PHE 48 -5.219 6.918 0.895 172 HE1 PHE 48 HE1 PHE 48 -8.751 7.352 -2.507 173 HE2 PHE 48 HE2 PHE 48 -4.814 6.131 -1.402 174 HZ PHE 48 HZ PHE 48 -6.581 6.346 -3.107 175 H GLY 49 HN GLY 49 -6.670 11.791 3.140 176 HA2 GLY 49 HA2 GLY 49 -7.657 11.144 5.777 177 HA3 GLY 49 HA1 GLY 49 -6.989 12.682 5.259 178 H SER 50 HN SER 50 -8.973 12.598 2.931 179 HA SER 50 HA SER 50 -11.089 13.955 4.381 180 HB2 SER 50 HB2 SER 50 -10.957 13.563 1.396 181 HB3 SER 50 HB1 SER 50 -11.748 14.852 2.298 182 HG SER 50 HG SER 50 -9.362 15.132 3.056 183 H ASP 51 HN ASP 51 -10.580 11.027 2.525 184 HA ASP 51 HA ASP 51 -13.369 10.247 3.084 185 HB2 ASP 51 HB2 ASP 51 -12.929 10.452 0.680 186 HB3 ASP 51 HB1 ASP 51 -11.580 9.325 0.823 187 HA PRO 52 HA PRO 52 -11.004 7.332 5.629 188 HB2 PRO 52 HB2 PRO 52 -13.020 6.800 7.357 189 HB3 PRO 52 HB1 PRO 52 -12.038 8.274 7.475 190 HG2 PRO 52 HG2 PRO 52 -14.760 7.912 6.340 191 HG3 PRO 52 HG1 PRO 52 -14.113 9.229 7.334 192 HD2 PRO 52 HD2 PRO 52 -14.406 9.400 4.631 193 HD3 PRO 52 HD1 PRO 52 -13.185 10.307 5.550 194 H ALA 53 HN ALA 53 -13.846 7.019 3.769 195 HA ALA 53 HA ALA 53 -14.553 4.348 4.270 196 HB1 ALA 53 HB1 ALA 53 -16.051 5.871 3.129 197 HB2 ALA 53 HB2 ALA 53 -15.731 4.472 2.108 198 HB3 ALA 53 HB3 ALA 53 -14.928 6.004 1.780 199 H THR 54 HN THR 54 -12.454 5.793 1.800 200 HA THR 54 HA THR 54 -11.750 3.338 0.579 201 HB THR 54 HB THR 54 -10.035 5.824 0.560 202 HG1 THR 54 HG1 THR 54 -12.166 6.452 0.035 203 HG21 THR 54 HG21 THR 54 -9.212 5.039 -1.501 204 HG22 THR 54 HG22 THR 54 -10.548 3.904 -1.696 205 HG23 THR 54 HG23 THR 54 -9.301 3.593 -0.492 206 H TYR 55 HN TYR 55 -10.468 5.125 3.291 207 HA TYR 55 HA TYR 55 -8.030 3.688 3.543 208 HB2 TYR 55 HB2 TYR 55 -8.357 5.887 4.584 209 HB3 TYR 55 HB1 TYR 55 -9.600 5.218 5.632 210 HD1 TYR 55 HD1 TYR 55 -5.980 5.007 4.824 211 HD2 TYR 55 HD2 TYR 55 -9.017 4.240 7.708 212 HE1 TYR 55 HE1 TYR 55 -4.256 4.453 6.487 213 HE2 TYR 55 HE2 TYR 55 -7.301 3.686 9.377 214 HH TYR 55 HH TYR 55 -5.011 2.992 9.513 215 H ASN 56 HN ASN 56 -11.230 3.364 5.017 216 HA ASN 56 HA ASN 56 -10.630 1.209 6.731 217 HB2 ASN 56 HB2 ASN 56 -13.189 2.204 5.496 218 HB3 ASN 56 HB1 ASN 56 -13.166 0.745 6.481 219 HD21 ASN 56 HD21 ASN 56 -14.586 3.151 7.049 220 HD22 ASN 56 HD22 ASN 56 -13.958 3.778 8.533 221 H GLY 57 HN GLY 57 -11.725 1.351 3.387 222 HA2 GLY 57 HA2 GLY 57 -12.096 -1.429 3.036 223 HA3 GLY 57 HA1 GLY 57 -11.810 -0.264 1.747 224 H PHE 58 HN PHE 58 -9.274 0.642 2.780 225 HA PHE 58 HA PHE 58 -7.545 -1.173 1.508 226 HB2 PHE 58 HB2 PHE 58 -7.100 1.245 1.753 227 HB3 PHE 58 HB1 PHE 58 -6.868 1.021 3.482 228 HD1 PHE 58 HD1 PHE 58 -4.748 0.562 4.316 229 HD2 PHE 58 HD2 PHE 58 -5.557 -0.075 0.186 230 HE1 PHE 58 HE1 PHE 58 -2.368 0.102 3.920 231 HE2 PHE 58 HE2 PHE 58 -3.176 -0.532 -0.212 232 HZ PHE 58 HZ PHE 58 -1.583 -0.452 1.656 233 H LEU 59 HN LEU 59 -8.341 -0.645 4.895 234 HA LEU 59 HA LEU 59 -6.393 -2.352 6.022 235 HB2 LEU 59 HB2 LEU 59 -9.121 -1.736 7.144 236 HB3 LEU 59 HB1 LEU 59 -7.710 -2.254 8.040 237 HG LEU 59 HG LEU 59 -7.901 0.379 6.585 238 HD11 LEU 59 HD11 LEU 59 -9.560 0.164 8.417 239 HD12 LEU 59 HD12 LEU 59 -8.350 1.417 8.697 240 HD13 LEU 59 HD13 LEU 59 -8.227 -0.129 9.535 241 HD21 LEU 59 HD21 LEU 59 -5.951 0.972 7.932 242 HD22 LEU 59 HD22 LEU 59 -5.621 -0.429 6.914 243 HD23 LEU 59 HD23 LEU 59 -5.939 -0.645 8.636 244 H GLU 60 HN GLU 60 -9.595 -2.892 4.738 245 HA GLU 60 HA GLU 60 -9.937 -5.538 5.686 246 HB2 GLU 60 HB2 GLU 60 -11.197 -3.966 3.456 247 HB3 GLU 60 HB1 GLU 60 -11.602 -5.646 3.734 248 HG2 GLU 60 HG2 GLU 60 -11.893 -3.477 5.787 249 HG3 GLU 60 HG1 GLU 60 -13.194 -4.054 4.749 250 H ILE 61 HN ILE 61 -8.513 -4.181 2.764 251 HA ILE 61 HA ILE 61 -8.188 -6.615 1.368 252 HB ILE 61 HB ILE 61 -6.479 -4.131 1.201 253 HG12 ILE 61 HG12 ILE 61 -8.835 -4.933 -0.516 254 HG13 ILE 61 HG11 ILE 61 -8.928 -3.774 0.805 255 HG21 ILE 61 HG21 ILE 61 -5.957 -4.927 -1.072 256 HG22 ILE 61 HG22 ILE 61 -6.818 -6.426 -0.723 257 HG23 ILE 61 HG23 ILE 61 -5.363 -6.009 0.183 258 HD11 ILE 61 HD11 ILE 61 -7.383 -3.502 -1.760 259 HD12 ILE 61 HD12 ILE 61 -7.229 -2.399 -0.393 260 HD13 ILE 61 HD13 ILE 61 -8.775 -2.558 -1.226 261 H MET 62 HN MET 62 -6.164 -4.873 3.668 262 HA MET 62 HA MET 62 -3.896 -6.535 3.513 263 HB2 MET 62 HB2 MET 62 -4.883 -4.419 5.279 264 HB3 MET 62 HB1 MET 62 -3.900 -5.614 6.115 265 HG2 MET 62 HG2 MET 62 -2.722 -4.745 3.595 266 HG3 MET 62 HG1 MET 62 -2.978 -3.423 4.732 267 HE1 MET 62 HE1 MET 62 -1.971 -7.267 5.147 268 HE2 MET 62 HE2 MET 62 -0.230 -7.068 5.354 269 HE3 MET 62 HE3 MET 62 -0.992 -6.607 3.835 270 H LYS 63 HN LYS 63 -6.913 -6.809 5.240 271 HA LYS 63 HA LYS 63 -6.180 -8.818 7.081 272 HB2 LYS 63 HB2 LYS 63 -8.829 -8.162 5.787 273 HB3 LYS 63 HB1 LYS 63 -8.650 -9.406 7.016 274 HG2 LYS 63 HG2 LYS 63 -7.864 -7.712 8.605 275 HG3 LYS 63 HG1 LYS 63 -8.062 -6.468 7.362 276 HD2 LYS 63 HD2 LYS 63 -10.425 -6.838 7.280 277 HD3 LYS 63 HD1 LYS 63 -10.297 -8.263 8.313 278 HE2 LYS 63 HE2 LYS 63 -9.621 -6.890 10.182 279 HE3 LYS 63 HE1 LYS 63 -9.594 -5.453 9.158 280 HZ1 LYS 63 HZ1 LYS 63 -12.007 -5.784 8.806 281 HZ2 LYS 63 HZ2 LYS 63 -11.601 -5.475 10.421 282 HZ3 LYS 63 HZ3 LYS 63 -11.975 -7.050 9.936 283 H GLU 64 HN GLU 64 -7.512 -8.949 3.812 284 HA GLU 64 HA GLU 64 -7.763 -11.732 3.610 285 HB2 GLU 64 HB2 GLU 64 -7.148 -9.806 1.359 286 HB3 GLU 64 HB1 GLU 64 -7.925 -11.378 1.227 287 HG2 GLU 64 HG2 GLU 64 -9.836 -10.564 2.495 288 HG3 GLU 64 HG1 GLU 64 -9.059 -8.989 2.657 289 H PHE 65 HN PHE 65 -5.010 -9.586 3.073 290 HA PHE 65 HA PHE 65 -3.321 -11.554 1.902 291 HB2 PHE 65 HB2 PHE 65 -3.014 -9.051 1.752 292 HB3 PHE 65 HB1 PHE 65 -2.452 -9.092 3.419 293 HD1 PHE 65 HD1 PHE 65 -0.189 -9.331 3.829 294 HD2 PHE 65 HD2 PHE 65 -1.786 -10.673 0.122 295 HE1 PHE 65 HE1 PHE 65 2.085 -9.844 3.042 296 HE2 PHE 65 HE2 PHE 65 0.483 -11.187 -0.675 297 HZ PHE 65 HZ PHE 65 2.423 -10.773 0.782 298 H LYS 66 HN LYS 66 -3.687 -10.299 5.208 299 HA LYS 66 HA LYS 66 -1.674 -11.921 6.363 300 HB2 LYS 66 HB2 LYS 66 -4.086 -10.579 7.587 301 HB3 LYS 66 HB1 LYS 66 -2.826 -11.375 8.521 302 HG2 LYS 66 HG2 LYS 66 -1.195 -9.789 7.822 303 HG3 LYS 66 HG1 LYS 66 -2.291 -9.103 6.624 304 HD2 LYS 66 HD2 LYS 66 -2.117 -7.681 8.610 305 HD3 LYS 66 HD1 LYS 66 -3.756 -8.300 8.389 306 HE2 LYS 66 HE2 LYS 66 -3.169 -10.121 10.021 307 HE3 LYS 66 HE1 LYS 66 -1.668 -9.259 10.339 308 HZ1 LYS 66 HZ1 LYS 66 -2.973 -7.353 11.060 309 HZ2 LYS 66 HZ2 LYS 66 -3.345 -8.725 11.975 310 HZ3 LYS 66 HZ3 LYS 66 -4.408 -8.202 10.769 311 H SER 67 HN SER 67 -5.033 -12.433 5.637 312 HA SER 67 HA SER 67 -5.296 -14.845 7.181 313 HB2 SER 67 HB2 SER 67 -7.125 -13.113 6.296 314 HB3 SER 67 HB1 SER 67 -7.147 -14.216 4.921 315 HG SER 67 HG SER 67 -7.226 -15.448 7.389 316 H GLN 68 HN GLN 68 -3.659 -14.113 4.432 317 HA GLN 68 HA GLN 68 -2.655 -15.299 2.782 318 HB2 GLN 68 HB2 GLN 68 -3.549 -17.678 4.422 319 HB3 GLN 68 HB1 GLN 68 -2.419 -17.754 3.074 320 HG2 GLN 68 HG2 GLN 68 -0.934 -16.196 4.322 321 HG3 GLN 68 HG1 GLN 68 -2.030 -16.326 5.697 322 HE21 GLN 68 HE21 GLN 68 -2.130 -18.237 6.842 323 HE22 GLN 68 HE22 GLN 68 -0.931 -19.473 6.692 324 H SER 69 HN SER 69 -5.430 -14.518 2.523 325 HA SER 69 HA SER 69 -6.620 -16.649 0.933 326 HB2 SER 69 HB2 SER 69 -7.695 -13.861 1.366 327 HB3 SER 69 HB1 SER 69 -8.592 -15.300 0.889 328 HG SER 69 HG SER 69 -7.914 -16.164 3.012 329 H ILE 70 HN ILE 70 -4.726 -13.826 0.582 330 HA ILE 70 HA ILE 70 -4.867 -14.095 -2.331 331 HB ILE 70 HB ILE 70 -4.561 -11.599 -2.524 332 HG12 ILE 70 HG12 ILE 70 -5.578 -11.554 0.324 333 HG13 ILE 70 HG11 ILE 70 -3.898 -11.271 -0.131 334 HG21 ILE 70 HG21 ILE 70 -6.754 -12.896 -2.806 335 HG22 ILE 70 HG22 ILE 70 -6.844 -11.146 -2.602 336 HG23 ILE 70 HG23 ILE 70 -7.201 -12.210 -1.243 337 HD11 ILE 70 HD11 ILE 70 -4.663 -9.354 -1.499 338 HD12 ILE 70 HD12 ILE 70 -4.980 -9.170 0.226 339 HD13 ILE 70 HD13 ILE 70 -6.291 -9.606 -0.874 340 H ASP 71 HN ASP 71 -2.913 -13.535 -3.407 341 HA ASP 71 HA ASP 71 -0.566 -13.553 -1.635 342 HB2 ASP 71 HB2 ASP 71 -0.988 -14.588 -4.437 343 HB3 ASP 71 HB1 ASP 71 0.623 -14.351 -3.770 344 H THR 72 HN THR 72 1.339 -12.789 -3.508 345 HA THR 72 HA THR 72 1.465 -10.074 -3.274 346 HB THR 72 HB THR 72 2.679 -11.324 -5.702 347 HG1 THR 72 HG1 THR 72 3.455 -11.877 -3.001 348 HG21 THR 72 HG21 THR 72 4.650 -10.042 -4.868 349 HG22 THR 72 HG22 THR 72 3.637 -9.426 -3.568 350 HG23 THR 72 HG23 THR 72 3.253 -9.035 -5.242 351 HA PRO 73 HA PRO 73 -0.246 -9.352 -7.747 352 HB2 PRO 73 HB2 PRO 73 -1.680 -11.377 -8.889 353 HB3 PRO 73 HB1 PRO 73 0.064 -11.154 -9.135 354 HG2 PRO 73 HG2 PRO 73 -1.342 -13.015 -7.264 355 HG3 PRO 73 HG1 PRO 73 0.044 -13.320 -8.332 356 HD2 PRO 73 HD2 PRO 73 0.389 -12.862 -5.717 357 HD3 PRO 73 HD1 PRO 73 1.537 -12.277 -6.939 358 H GLY 74 HN GLY 74 -2.011 -11.394 -5.530 359 HA2 GLY 74 HA2 GLY 74 -4.615 -10.521 -6.213 360 HA3 GLY 74 HA1 GLY 74 -4.153 -11.323 -4.720 361 H VAL 75 HN VAL 75 -2.493 -9.600 -3.497 362 HA VAL 75 HA VAL 75 -4.270 -7.662 -2.470 363 HB VAL 75 HB VAL 75 -2.552 -8.586 -1.039 364 HG11 VAL 75 HG11 VAL 75 -0.766 -9.034 -2.505 365 HG12 VAL 75 HG12 VAL 75 -0.161 -7.863 -1.333 366 HG13 VAL 75 HG13 VAL 75 -0.613 -7.340 -2.957 367 HG21 VAL 75 HG21 VAL 75 -1.683 -6.550 -0.032 368 HG22 VAL 75 HG22 VAL 75 -3.369 -6.357 -0.511 369 HG23 VAL 75 HG23 VAL 75 -2.086 -5.645 -1.491 370 H ILE 76 HN ILE 76 -1.579 -7.427 -4.745 371 HA ILE 76 HA ILE 76 -1.517 -4.621 -4.922 372 HB ILE 76 HB ILE 76 -0.695 -6.736 -6.920 373 HG12 ILE 76 HG12 ILE 76 0.978 -4.878 -5.216 374 HG13 ILE 76 HG11 ILE 76 0.559 -6.520 -4.743 375 HG21 ILE 76 HG21 ILE 76 -0.214 -3.760 -7.067 376 HG22 ILE 76 HG22 ILE 76 -1.256 -4.698 -8.135 377 HG23 ILE 76 HG23 ILE 76 0.486 -4.970 -8.142 378 HD11 ILE 76 HD11 ILE 76 2.105 -5.790 -7.222 379 HD12 ILE 76 HD12 ILE 76 1.785 -7.413 -6.612 380 HD13 ILE 76 HD13 ILE 76 2.823 -6.317 -5.701 381 H ARG 77 HN ARG 77 -3.285 -7.042 -6.819 382 HA ARG 77 HA ARG 77 -4.459 -5.269 -8.650 383 HB2 ARG 77 HB2 ARG 77 -4.379 -7.749 -8.891 384 HB3 ARG 77 HB1 ARG 77 -5.603 -7.879 -7.636 385 HG2 ARG 77 HG2 ARG 77 -7.246 -6.889 -8.990 386 HG3 ARG 77 HG1 ARG 77 -6.045 -6.315 -10.152 387 HD2 ARG 77 HD2 ARG 77 -7.362 -8.323 -10.888 388 HD3 ARG 77 HD1 ARG 77 -5.613 -8.520 -10.925 389 HE ARG 77 HE ARG 77 -5.841 -9.765 -8.799 390 HH11 ARG 77 HH11 ARG 77 -9.392 -10.893 -10.301 391 HH12 ARG 77 HH12 ARG 77 -8.607 -9.483 -10.929 392 HH21 ARG 77 HH21 ARG 77 -6.892 -11.613 -7.955 393 HH22 ARG 77 HH22 ARG 77 -8.420 -12.100 -8.620 394 H ARG 78 HN ARG 78 -5.636 -6.499 -5.531 395 HA ARG 78 HA ARG 78 -8.167 -5.325 -5.566 396 HB2 ARG 78 HB2 ARG 78 -6.325 -6.242 -3.399 397 HB3 ARG 78 HB1 ARG 78 -7.755 -5.322 -2.954 398 HG2 ARG 78 HG2 ARG 78 -8.020 -7.693 -4.744 399 HG3 ARG 78 HG1 ARG 78 -7.843 -7.911 -3.001 400 HD2 ARG 78 HD2 ARG 78 -9.851 -5.950 -4.007 401 HD3 ARG 78 HD1 ARG 78 -10.225 -7.671 -4.101 402 HE ARG 78 HE ARG 78 -9.605 -7.613 -1.589 403 HH11 ARG 78 HH11 ARG 78 -11.247 -5.029 -3.326 404 HH12 ARG 78 HH12 ARG 78 -12.112 -4.483 -1.925 405 HH21 ARG 78 HH21 ARG 78 -11.804 -5.532 0.108 406 HH22 ARG 78 HH22 ARG 78 -10.705 -6.882 0.234 407 H VAL 79 HN VAL 79 -5.127 -4.069 -4.226 408 HA VAL 79 HA VAL 79 -6.221 -1.584 -3.393 409 HB VAL 79 HB VAL 79 -3.348 -2.337 -3.957 410 HG11 VAL 79 HG11 VAL 79 -3.982 0.152 -3.932 411 HG12 VAL 79 HG12 VAL 79 -2.649 -0.383 -2.912 412 HG13 VAL 79 HG13 VAL 79 -4.234 -0.078 -2.202 413 HG21 VAL 79 HG21 VAL 79 -3.205 -2.571 -1.512 414 HG22 VAL 79 HG22 VAL 79 -4.334 -3.711 -2.239 415 HG23 VAL 79 HG23 VAL 79 -4.939 -2.282 -1.402 416 H SER 80 HN SER 80 -4.726 -2.699 -6.374 417 HA SER 80 HA SER 80 -4.286 -0.205 -7.571 418 HB2 SER 80 HB2 SER 80 -3.499 -2.542 -8.306 419 HB3 SER 80 HB1 SER 80 -5.057 -2.677 -9.116 420 HG SER 80 HG SER 80 -4.263 -0.422 -9.949 421 H GLN 81 HN GLN 81 -7.199 -2.134 -7.259 422 HA GLN 81 HA GLN 81 -8.670 -0.554 -9.186 423 HB2 GLN 81 HB2 GLN 81 -9.640 -2.603 -7.179 424 HB3 GLN 81 HB1 GLN 81 -10.601 -1.909 -8.482 425 HG2 GLN 81 HG2 GLN 81 -8.082 -3.504 -8.901 426 HG3 GLN 81 HG1 GLN 81 -9.705 -4.188 -8.928 427 HE21 GLN 81 HE21 GLN 81 -7.452 -2.109 -10.567 428 HE22 GLN 81 HE22 GLN 81 -8.292 -2.054 -12.076 429 H LEU 82 HN LEU 82 -8.124 -0.580 -5.762 430 HA LEU 82 HA LEU 82 -10.319 1.187 -5.159 431 HB2 LEU 82 HB2 LEU 82 -9.398 -0.576 -3.612 432 HB3 LEU 82 HB1 LEU 82 -7.991 0.438 -3.390 433 HG LEU 82 HG LEU 82 -9.441 2.214 -2.453 434 HD11 LEU 82 HD11 LEU 82 -11.740 1.650 -1.814 435 HD12 LEU 82 HD12 LEU 82 -11.605 0.114 -2.671 436 HD13 LEU 82 HD13 LEU 82 -11.528 1.634 -3.561 437 HD21 LEU 82 HD21 LEU 82 -9.869 1.089 -0.322 438 HD22 LEU 82 HD22 LEU 82 -8.293 0.661 -0.979 439 HD23 LEU 82 HD23 LEU 82 -9.635 -0.477 -1.097 440 H PHE 83 HN PHE 83 -6.811 1.444 -5.485 441 HA PHE 83 HA PHE 83 -6.932 4.329 -4.999 442 HB2 PHE 83 HB2 PHE 83 -4.642 2.369 -5.240 443 HB3 PHE 83 HB1 PHE 83 -4.391 4.108 -5.181 444 HD1 PHE 83 HD1 PHE 83 -7.036 2.507 -3.213 445 HD2 PHE 83 HD2 PHE 83 -3.042 3.972 -3.193 446 HE1 PHE 83 HE1 PHE 83 -7.011 2.413 -0.760 447 HE2 PHE 83 HE2 PHE 83 -3.021 3.884 -0.743 448 HZ PHE 83 HZ PHE 83 -5.013 3.100 0.478 449 H HIS 84 HN HIS 84 -8.068 3.180 -7.415 450 HA HIS 84 HA HIS 84 -6.312 3.453 -9.609 451 HB2 HIS 84 HB2 HIS 84 -8.285 3.372 -11.008 452 HB3 HIS 84 HB1 HIS 84 -8.454 2.209 -9.699 453 HD2 HIS 84 HD2 HIS 84 -10.042 3.461 -7.453 454 HE1 HIS 84 HE1 HIS 84 -12.403 5.473 -10.325 455 HE2 HIS 84 HE2 HIS 84 -12.256 4.732 -7.913 456 H GLU 85 HN GLU 85 -7.841 5.790 -7.654 457 HA GLU 85 HA GLU 85 -7.721 7.886 -9.650 458 HB2 GLU 85 HB2 GLU 85 -8.631 7.754 -6.791 459 HB3 GLU 85 HB1 GLU 85 -8.406 9.298 -7.598 460 HG2 GLU 85 HG2 GLU 85 -10.158 7.126 -8.698 461 HG3 GLU 85 HG1 GLU 85 -10.752 8.377 -7.609 462 H HIS 86 HN HIS 86 -5.583 6.389 -7.614 463 HA HIS 86 HA HIS 86 -3.747 8.673 -7.716 464 HB2 HIS 86 HB2 HIS 86 -4.217 6.882 -5.318 465 HB3 HIS 86 HB1 HIS 86 -2.884 8.020 -5.461 466 HD2 HIS 86 HD2 HIS 86 -3.523 10.694 -5.080 467 HE1 HIS 86 HE1 HIS 86 -7.553 9.947 -3.993 468 HE2 HIS 86 HE2 HIS 86 -5.711 11.690 -4.085 469 HA PRO 87 HA PRO 87 -2.115 4.692 -9.591 470 HB2 PRO 87 HB2 PRO 87 -0.800 6.046 -11.616 471 HB3 PRO 87 HB1 PRO 87 -2.441 5.384 -11.745 472 HG2 PRO 87 HG2 PRO 87 -1.563 8.175 -11.213 473 HG3 PRO 87 HG1 PRO 87 -2.914 7.578 -12.196 474 HD2 PRO 87 HD2 PRO 87 -3.293 8.597 -9.739 475 HD3 PRO 87 HD1 PRO 87 -4.285 7.269 -10.371 476 H ASP 88 HN ASP 88 -0.653 7.758 -8.749 477 HA ASP 88 HA ASP 88 2.053 6.977 -8.905 478 HB2 ASP 88 HB2 ASP 88 0.630 9.299 -8.177 479 HB3 ASP 88 HB1 ASP 88 1.624 8.878 -6.788 480 H LEU 89 HN LEU 89 -0.398 6.532 -6.454 481 HA LEU 89 HA LEU 89 1.420 5.742 -4.380 482 HB2 LEU 89 HB2 LEU 89 -1.562 5.493 -4.700 483 HB3 LEU 89 HB1 LEU 89 -0.711 4.857 -3.307 484 HG LEU 89 HG LEU 89 -0.783 7.758 -4.137 485 HD11 LEU 89 HD11 LEU 89 -2.360 8.146 -2.503 486 HD12 LEU 89 HD12 LEU 89 -1.990 6.651 -1.642 487 HD13 LEU 89 HD13 LEU 89 -2.888 6.595 -3.161 488 HD21 LEU 89 HD21 LEU 89 0.582 6.304 -1.898 489 HD22 LEU 89 HD22 LEU 89 0.160 8.010 -1.770 490 HD23 LEU 89 HD23 LEU 89 1.257 7.467 -3.039 491 H ILE 90 HN ILE 90 -0.465 4.118 -6.841 492 HA ILE 90 HA ILE 90 -0.139 1.476 -5.889 493 HB ILE 90 HB ILE 90 -0.507 2.356 -8.758 494 HG12 ILE 90 HG12 ILE 90 -2.617 1.621 -6.720 495 HG13 ILE 90 HG11 ILE 90 -2.211 3.273 -7.181 496 HG21 ILE 90 HG21 ILE 90 -1.511 0.139 -9.064 497 HG22 ILE 90 HG22 ILE 90 -1.136 -0.260 -7.389 498 HG23 ILE 90 HG23 ILE 90 0.170 0.023 -8.539 499 HD11 ILE 90 HD11 ILE 90 -4.219 2.436 -8.309 500 HD12 ILE 90 HD12 ILE 90 -3.256 1.155 -9.048 501 HD13 ILE 90 HD13 ILE 90 -2.933 2.841 -9.448 502 H VAL 91 HN VAL 91 1.596 3.282 -8.427 503 HA VAL 91 HA VAL 91 3.534 1.276 -8.907 504 HB VAL 91 HB VAL 91 3.788 4.256 -9.381 505 HG11 VAL 91 HG11 VAL 91 5.907 2.947 -9.456 506 HG12 VAL 91 HG12 VAL 91 5.482 3.726 -10.980 507 HG13 VAL 91 HG13 VAL 91 5.213 1.995 -10.773 508 HG21 VAL 91 HG21 VAL 91 2.852 2.134 -11.302 509 HG22 VAL 91 HG22 VAL 91 2.951 3.871 -11.597 510 HG23 VAL 91 HG23 VAL 91 1.787 3.236 -10.433 511 H GLY 92 HN GLY 92 3.398 4.079 -6.777 512 HA2 GLY 92 HA2 GLY 92 6.031 4.080 -5.847 513 HA3 GLY 92 HA1 GLY 92 4.638 4.666 -4.947 514 H PHE 93 HN PHE 93 3.251 2.163 -4.843 515 HA PHE 93 HA PHE 93 4.398 1.070 -2.515 516 HB2 PHE 93 HB2 PHE 93 2.037 0.866 -2.796 517 HB3 PHE 93 HB1 PHE 93 2.221 0.085 -4.363 518 HD1 PHE 93 HD1 PHE 93 3.145 -0.420 -0.782 519 HD2 PHE 93 HD2 PHE 93 2.022 -2.205 -4.479 520 HE1 PHE 93 HE1 PHE 93 3.081 -2.625 0.307 521 HE2 PHE 93 HE2 PHE 93 1.955 -4.412 -3.397 522 HZ PHE 93 HZ PHE 93 2.482 -4.625 -0.999 523 H ASN 94 HN ASN 94 4.333 -0.042 -5.878 524 HA ASN 94 HA ASN 94 5.610 -2.504 -5.489 525 HB2 ASN 94 HB2 ASN 94 4.438 -1.593 -7.594 526 HB3 ASN 94 HB1 ASN 94 5.972 -0.812 -7.957 527 HD21 ASN 94 HD21 ASN 94 4.462 -2.942 -9.334 528 HD22 ASN 94 HD22 ASN 94 5.569 -4.257 -9.511 529 H ALA 95 HN ALA 95 6.908 0.726 -6.136 530 HA ALA 95 HA ALA 95 9.631 -0.144 -6.236 531 HB1 ALA 95 HB1 ALA 95 8.533 2.638 -5.836 532 HB2 ALA 95 HB2 ALA 95 8.862 1.881 -7.394 533 HB3 ALA 95 HB3 ALA 95 10.188 2.224 -6.283 534 H PHE 96 HN PHE 96 7.440 0.694 -3.713 535 HA PHE 96 HA PHE 96 9.476 1.303 -1.754 536 HB2 PHE 96 HB2 PHE 96 6.928 2.082 -1.928 537 HB3 PHE 96 HB1 PHE 96 6.679 0.651 -0.934 538 HD1 PHE 96 HD1 PHE 96 8.445 3.890 -1.120 539 HD2 PHE 96 HD2 PHE 96 7.204 0.656 1.351 540 HE1 PHE 96 HE1 PHE 96 9.061 5.183 0.876 541 HE2 PHE 96 HE2 PHE 96 7.814 1.949 3.353 542 HZ PHE 96 HZ PHE 96 8.745 4.213 3.120 543 H LEU 97 HN LEU 97 8.177 -1.514 -3.049 544 HA LEU 97 HA LEU 97 8.201 -3.168 -0.745 545 HB2 LEU 97 HB2 LEU 97 8.313 -3.753 -3.696 546 HB3 LEU 97 HB1 LEU 97 8.386 -5.028 -2.496 547 HG LEU 97 HG LEU 97 6.104 -3.061 -2.648 548 HD11 LEU 97 HD11 LEU 97 6.436 -4.470 -4.739 549 HD12 LEU 97 HD12 LEU 97 4.865 -4.588 -3.946 550 HD13 LEU 97 HD13 LEU 97 6.065 -5.865 -3.730 551 HD21 LEU 97 HD21 LEU 97 4.943 -4.781 -1.348 552 HD22 LEU 97 HD22 LEU 97 6.372 -4.183 -0.504 553 HD23 LEU 97 HD23 LEU 97 6.413 -5.751 -1.314 554 HA PRO 98 HA PRO 98 12.646 -3.310 -0.339 555 HB2 PRO 98 HB2 PRO 98 12.670 -5.120 1.718 556 HB3 PRO 98 HB1 PRO 98 12.346 -3.391 1.939 557 HG2 PRO 98 HG2 PRO 98 10.438 -5.664 1.821 558 HG3 PRO 98 HG1 PRO 98 10.415 -4.218 2.847 559 HD2 PRO 98 HD2 PRO 98 8.851 -4.483 0.649 560 HD3 PRO 98 HD1 PRO 98 9.449 -2.914 1.226 561 H SER 99 HN SER 99 10.682 -6.254 -0.283 562 HA SER 99 HA SER 99 12.839 -7.924 -1.200 563 HB2 SER 99 HB2 SER 99 9.951 -8.742 -1.228 564 HB3 SER 99 HB1 SER 99 11.379 -9.712 -0.870 565 HG SER 99 HG SER 99 11.515 -8.793 1.132 566 H GLY 100 HN GLY 100 13.045 -8.843 -3.244 567 HA2 GLY 100 HA2 GLY 100 11.189 -8.601 -5.343 568 HA3 GLY 100 HA1 GLY 100 12.323 -7.265 -5.441 569 HA PRO 101 HA PRO 101 14.652 -10.481 -7.553 570 HB2 PRO 101 HB2 PRO 101 15.743 -8.886 -9.421 571 HB3 PRO 101 HB1 PRO 101 14.047 -9.387 -9.508 572 HG2 PRO 101 HG2 PRO 101 15.180 -6.757 -8.838 573 HG3 PRO 101 HG1 PRO 101 13.586 -7.176 -9.491 574 HD2 PRO 101 HD2 PRO 101 14.271 -6.593 -6.770 575 HD3 PRO 101 HD1 PRO 101 12.685 -7.039 -7.426 576 H SER 102 HN SER 102 15.524 -8.513 -5.272 577 HA SER 102 HA SER 102 18.317 -8.096 -5.845 578 HB2 SER 102 HB2 SER 102 16.906 -7.765 -3.199 579 HB3 SER 102 HB1 SER 102 18.389 -6.979 -3.740 580 HG SER 102 HG SER 102 16.500 -5.632 -3.882 581 H SER 103 HN SER 103 19.834 -8.719 -3.906 582 HA SER 103 HA SER 103 20.156 -11.503 -3.955 583 HB2 SER 103 HB2 SER 103 21.386 -9.841 -1.796 584 HB3 SER 103 HB1 SER 103 22.111 -11.122 -2.769 585 HG SER 103 HG SER 103 22.342 -8.553 -3.155 586 H GLY 104 HN GLY 104 18.912 -12.950 -2.979 587 HA2 GLY 104 HA2 GLY 104 18.342 -14.070 -0.930 588 HA3 GLY 104 HA1 GLY 104 18.189 -12.502 -0.159 Start of MODEL 8 1 H1 GLY 25 HN GLY 25 13.381 21.881 -7.924 2 HA2 GLY 25 HA2 GLY 25 13.712 21.550 -5.164 3 HA3 GLY 25 HA1 GLY 25 12.227 22.454 -5.420 4 H SER 26 HN SER 26 13.900 19.532 -6.554 5 HA SER 26 HA SER 26 11.530 18.280 -7.507 6 HB2 SER 26 HB2 SER 26 14.164 17.000 -6.725 7 HB3 SER 26 HB1 SER 26 12.918 16.294 -7.750 8 HG SER 26 HG SER 26 14.826 17.417 -8.758 9 H SER 27 HN SER 27 10.005 17.255 -6.421 10 HA SER 27 HA SER 27 10.195 16.956 -3.568 11 HB2 SER 27 HB2 SER 27 8.104 17.632 -4.876 12 HB3 SER 27 HB1 SER 27 7.967 15.938 -5.340 13 HG SER 27 HG SER 27 7.191 15.508 -3.457 14 H GLY 28 HN GLY 28 10.475 15.117 -2.422 15 HA2 GLY 28 HA2 GLY 28 10.043 12.585 -2.631 16 HA3 GLY 28 HA1 GLY 28 11.187 12.718 -3.959 17 H SER 29 HN SER 29 11.940 11.004 -2.162 18 HA SER 29 HA SER 29 14.237 12.262 -0.933 19 HB2 SER 29 HB2 SER 29 12.307 10.628 0.728 20 HB3 SER 29 HB1 SER 29 13.814 11.356 1.287 21 HG SER 29 HG SER 29 12.622 13.368 0.334 22 H SER 30 HN SER 30 15.964 10.938 -1.010 23 HA SER 30 HA SER 30 15.493 8.203 -1.954 24 HB2 SER 30 HB2 SER 30 18.074 9.766 -2.108 25 HB3 SER 30 HB1 SER 30 17.650 8.290 -2.980 26 HG SER 30 HG SER 30 16.302 10.782 -3.267 27 H GLY 31 HN GLY 31 16.225 6.475 -0.853 28 HA2 GLY 31 HA2 GLY 31 17.769 5.412 0.644 29 HA3 GLY 31 HA1 GLY 31 17.969 6.950 1.469 30 H VAL 32 HN VAL 32 16.323 3.997 1.415 31 HA VAL 32 HA VAL 32 14.464 4.951 3.492 32 HB VAL 32 HB VAL 32 13.080 2.935 2.955 33 HG11 VAL 32 HG11 VAL 32 11.971 3.912 1.085 34 HG12 VAL 32 HG12 VAL 32 13.442 4.745 0.584 35 HG13 VAL 32 HG13 VAL 32 12.618 5.227 2.067 36 HG21 VAL 32 HG21 VAL 32 14.756 2.754 0.464 37 HG22 VAL 32 HG22 VAL 32 13.415 1.707 0.930 38 HG23 VAL 32 HG23 VAL 32 14.925 1.671 1.844 39 H HIS 33 HN HIS 33 13.919 3.249 5.127 40 HA HIS 33 HA HIS 33 16.389 1.844 5.864 41 HB2 HIS 33 HB2 HIS 33 14.075 2.776 7.573 42 HB3 HIS 33 HB1 HIS 33 15.418 1.811 8.173 43 HD2 HIS 33 HD2 HIS 33 14.802 5.430 6.750 44 HE1 HIS 33 HE1 HIS 33 18.464 5.320 8.874 45 HE2 HIS 33 HE2 HIS 33 16.816 6.804 7.649 46 H VAL 34 HN VAL 34 15.631 -0.061 7.559 47 HA VAL 34 HA VAL 34 14.325 -1.970 5.843 48 HB VAL 34 HB VAL 34 14.758 -3.594 7.654 49 HG11 VAL 34 HG11 VAL 34 16.452 -3.164 5.952 50 HG12 VAL 34 HG12 VAL 34 17.188 -3.542 7.507 51 HG13 VAL 34 HG13 VAL 34 17.134 -1.874 6.946 52 HG21 VAL 34 HG21 VAL 34 15.967 -1.248 9.120 53 HG22 VAL 34 HG22 VAL 34 16.003 -2.933 9.639 54 HG23 VAL 34 HG23 VAL 34 14.468 -2.070 9.553 55 H GLU 35 HN GLU 35 13.200 0.321 7.908 56 HA GLU 35 HA GLU 35 10.829 -1.227 8.691 57 HB2 GLU 35 HB2 GLU 35 12.475 0.339 10.225 58 HB3 GLU 35 HB1 GLU 35 11.172 1.453 9.834 59 HG2 GLU 35 HG2 GLU 35 10.507 0.473 11.825 60 HG3 GLU 35 HG1 GLU 35 9.599 -0.393 10.587 61 H ASP 36 HN ASP 36 11.414 -0.020 6.049 62 HA ASP 36 HA ASP 36 9.900 2.369 5.749 63 HB2 ASP 36 HB2 ASP 36 10.096 1.955 3.320 64 HB3 ASP 36 HB1 ASP 36 11.642 1.808 4.146 65 H ALA 37 HN ALA 37 9.093 -0.987 5.773 66 HA ALA 37 HA ALA 37 6.726 -1.087 4.367 67 HB1 ALA 37 HB1 ALA 37 7.699 -3.081 5.198 68 HB2 ALA 37 HB2 ALA 37 6.100 -2.939 5.930 69 HB3 ALA 37 HB3 ALA 37 7.538 -2.539 6.869 70 H LEU 38 HN LEU 38 7.061 -0.288 7.844 71 HA LEU 38 HA LEU 38 4.245 0.282 8.020 72 HB2 LEU 38 HB2 LEU 38 4.905 1.088 10.372 73 HB3 LEU 38 HB1 LEU 38 4.993 -0.623 10.002 74 HG LEU 38 HG LEU 38 7.521 -0.053 9.492 75 HD11 LEU 38 HD11 LEU 38 7.303 2.363 9.797 76 HD12 LEU 38 HD12 LEU 38 8.391 1.668 10.997 77 HD13 LEU 38 HD13 LEU 38 6.745 2.110 11.452 78 HD21 LEU 38 HD21 LEU 38 6.769 -1.625 11.171 79 HD22 LEU 38 HD22 LEU 38 6.333 -0.306 12.254 80 HD23 LEU 38 HD23 LEU 38 8.026 -0.592 11.855 81 H THR 39 HN THR 39 6.694 1.984 6.720 82 HA THR 39 HA THR 39 5.983 4.583 7.782 83 HB THR 39 HB THR 39 7.728 4.072 5.366 84 HG1 THR 39 HG1 THR 39 8.204 3.107 7.746 85 HG21 THR 39 HG21 THR 39 7.610 6.295 7.407 86 HG22 THR 39 HG22 THR 39 7.113 6.389 5.717 87 HG23 THR 39 HG23 THR 39 8.814 6.166 6.126 88 H TYR 40 HN TYR 40 5.363 2.639 4.916 89 HA TYR 40 HA TYR 40 4.173 4.714 3.376 90 HB2 TYR 40 HB2 TYR 40 5.102 2.327 2.700 91 HB3 TYR 40 HB1 TYR 40 3.433 1.845 2.969 92 HD1 TYR 40 HD1 TYR 40 2.261 1.629 1.016 93 HD2 TYR 40 HD2 TYR 40 5.118 4.759 1.344 94 HE1 TYR 40 HE1 TYR 40 1.690 2.378 -1.253 95 HE2 TYR 40 HE2 TYR 40 4.554 5.521 -0.926 96 HH TYR 40 HH TYR 40 1.866 4.160 -2.697 97 H LEU 41 HN LEU 41 3.047 2.729 5.946 98 HA LEU 41 HA LEU 41 0.296 2.649 5.393 99 HB2 LEU 41 HB2 LEU 41 1.992 1.830 7.476 100 HB3 LEU 41 HB1 LEU 41 0.830 2.911 8.220 101 HG LEU 41 HG LEU 41 0.119 0.571 8.376 102 HD11 LEU 41 HD11 LEU 41 -2.138 0.836 7.609 103 HD12 LEU 41 HD12 LEU 41 -1.650 2.091 6.472 104 HD13 LEU 41 HD13 LEU 41 -1.558 2.393 8.206 105 HD21 LEU 41 HD21 LEU 41 1.207 -0.269 6.353 106 HD22 LEU 41 HD22 LEU 41 0.065 0.635 5.360 107 HD23 LEU 41 HD23 LEU 41 -0.506 -0.683 6.381 108 H ASP 42 HN ASP 42 2.221 4.977 7.245 109 HA ASP 42 HA ASP 42 0.066 6.649 8.022 110 HB2 ASP 42 HB2 ASP 42 2.323 6.633 9.100 111 HB3 ASP 42 HB1 ASP 42 2.975 7.431 7.669 112 H GLN 43 HN GLN 43 2.147 6.575 5.197 113 HA GLN 43 HA GLN 43 1.521 9.066 4.081 114 HB2 GLN 43 HB2 GLN 43 2.149 6.457 2.682 115 HB3 GLN 43 HB1 GLN 43 2.168 8.041 1.922 116 HG2 GLN 43 HG2 GLN 43 3.919 7.273 4.242 117 HG3 GLN 43 HG1 GLN 43 4.405 7.172 2.550 118 HE21 GLN 43 HE21 GLN 43 4.817 9.035 1.406 119 HE22 GLN 43 HE22 GLN 43 4.991 10.573 2.173 120 H VAL 44 HN VAL 44 -0.010 5.905 3.593 121 HA VAL 44 HA VAL 44 -2.020 6.760 1.810 122 HB VAL 44 HB VAL 44 -2.005 4.404 3.718 123 HG11 VAL 44 HG11 VAL 44 -3.827 5.157 1.457 124 HG12 VAL 44 HG12 VAL 44 -4.234 4.609 3.083 125 HG13 VAL 44 HG13 VAL 44 -3.586 3.469 1.907 126 HG21 VAL 44 HG21 VAL 44 -1.153 4.654 0.836 127 HG22 VAL 44 HG22 VAL 44 -1.341 3.122 1.692 128 HG23 VAL 44 HG23 VAL 44 -0.131 4.292 2.222 129 H LYS 45 HN LYS 45 -1.829 6.609 5.290 130 HA LYS 45 HA LYS 45 -4.542 7.141 5.847 131 HB2 LYS 45 HB2 LYS 45 -3.475 6.243 7.654 132 HB3 LYS 45 HB1 LYS 45 -1.978 7.101 7.337 133 HG2 LYS 45 HG2 LYS 45 -3.019 9.162 8.224 134 HG3 LYS 45 HG1 LYS 45 -4.463 8.222 8.616 135 HD2 LYS 45 HD2 LYS 45 -3.379 7.016 10.279 136 HD3 LYS 45 HD1 LYS 45 -1.782 7.329 9.599 137 HE2 LYS 45 HE2 LYS 45 -3.544 9.369 10.948 138 HE3 LYS 45 HE1 LYS 45 -2.159 8.568 11.688 139 HZ1 LYS 45 HZ1 LYS 45 -1.452 10.679 10.928 140 HZ2 LYS 45 HZ2 LYS 45 -2.139 10.454 9.403 141 HZ3 LYS 45 HZ3 LYS 45 -0.787 9.539 9.861 142 H ILE 46 HN ILE 46 -1.739 9.219 5.314 143 HA ILE 46 HA ILE 46 -3.107 11.622 6.077 144 HB ILE 46 HB ILE 46 -0.534 11.233 4.541 145 HG12 ILE 46 HG12 ILE 46 -0.951 12.098 7.407 146 HG13 ILE 46 HG11 ILE 46 -0.618 10.435 6.937 147 HG21 ILE 46 HG21 ILE 46 -1.485 13.391 4.001 148 HG22 ILE 46 HG22 ILE 46 -0.082 13.600 5.047 149 HG23 ILE 46 HG23 ILE 46 -1.709 13.753 5.712 150 HD11 ILE 46 HD11 ILE 46 1.547 11.006 6.170 151 HD12 ILE 46 HD12 ILE 46 1.346 11.749 7.756 152 HD13 ILE 46 HD13 ILE 46 1.213 12.734 6.298 153 H ARG 47 HN ARG 47 -2.274 10.076 2.995 154 HA ARG 47 HA ARG 47 -3.133 12.110 1.278 155 HB2 ARG 47 HB2 ARG 47 -2.734 9.168 1.017 156 HB3 ARG 47 HB1 ARG 47 -3.623 9.995 -0.254 157 HG2 ARG 47 HG2 ARG 47 -0.963 11.026 0.649 158 HG3 ARG 47 HG1 ARG 47 -1.075 9.692 -0.500 159 HD2 ARG 47 HD2 ARG 47 -2.287 11.040 -2.058 160 HD3 ARG 47 HD1 ARG 47 -2.471 12.333 -0.874 161 HE ARG 47 HE ARG 47 0.275 11.795 -1.339 162 HH11 ARG 47 HH11 ARG 47 -1.548 14.446 -3.755 163 HH12 ARG 47 HH12 ARG 47 -2.503 13.333 -2.827 164 HH21 ARG 47 HH21 ARG 47 1.524 13.259 -2.566 165 HH22 ARG 47 HH22 ARG 47 0.737 14.400 -3.615 166 H PHE 48 HN PHE 48 -4.953 9.540 2.864 167 HA PHE 48 HA PHE 48 -7.428 10.666 1.717 168 HB2 PHE 48 HB2 PHE 48 -6.932 7.929 2.912 169 HB3 PHE 48 HB1 PHE 48 -8.482 8.500 2.308 170 HD1 PHE 48 HD1 PHE 48 -8.767 8.947 -0.108 171 HD2 PHE 48 HD2 PHE 48 -5.266 7.104 1.454 172 HE1 PHE 48 HE1 PHE 48 -8.183 8.157 -2.361 173 HE2 PHE 48 HE2 PHE 48 -4.680 6.310 -0.796 174 HZ PHE 48 HZ PHE 48 -6.134 6.836 -2.703 175 H GLY 49 HN GLY 49 -6.345 12.102 3.702 176 HA2 GLY 49 HA2 GLY 49 -7.096 11.361 6.326 177 HA3 GLY 49 HA1 GLY 49 -6.693 12.983 5.789 178 H SER 50 HN SER 50 -8.839 12.969 3.741 179 HA SER 50 HA SER 50 -11.037 13.529 5.601 180 HB2 SER 50 HB2 SER 50 -10.785 14.418 2.724 181 HB3 SER 50 HB1 SER 50 -11.909 15.031 3.938 182 HG SER 50 HG SER 50 -9.125 15.443 3.710 183 H ASP 51 HN ASP 51 -10.094 11.011 3.780 184 HA ASP 51 HA ASP 51 -12.876 10.267 3.162 185 HB2 ASP 51 HB2 ASP 51 -11.494 10.713 1.102 186 HB3 ASP 51 HB1 ASP 51 -10.472 9.357 1.571 187 HA PRO 52 HA PRO 52 -11.353 7.132 6.082 188 HB2 PRO 52 HB2 PRO 52 -13.728 6.708 7.298 189 HB3 PRO 52 HB1 PRO 52 -12.711 8.105 7.690 190 HG2 PRO 52 HG2 PRO 52 -15.136 7.970 5.988 191 HG3 PRO 52 HG1 PRO 52 -14.628 9.223 7.138 192 HD2 PRO 52 HD2 PRO 52 -14.309 9.409 4.420 193 HD3 PRO 52 HD1 PRO 52 -13.312 10.274 5.603 194 H ALA 53 HN ALA 53 -13.622 7.109 3.546 195 HA ALA 53 HA ALA 53 -14.536 4.418 3.779 196 HB1 ALA 53 HB1 ALA 53 -15.883 5.927 2.534 197 HB2 ALA 53 HB2 ALA 53 -15.239 4.757 1.381 198 HB3 ALA 53 HB3 ALA 53 -14.539 6.371 1.487 199 H THR 54 HN THR 54 -12.135 5.992 1.676 200 HA THR 54 HA THR 54 -11.231 3.608 0.455 201 HB THR 54 HB THR 54 -9.495 6.040 0.851 202 HG1 THR 54 HG1 THR 54 -11.575 6.768 0.167 203 HG21 THR 54 HG21 THR 54 -8.595 5.446 -1.300 204 HG22 THR 54 HG22 THR 54 -9.835 4.212 -1.531 205 HG23 THR 54 HG23 THR 54 -8.602 4.001 -0.289 206 H TYR 55 HN TYR 55 -10.407 5.232 3.420 207 HA TYR 55 HA TYR 55 -8.026 3.841 4.010 208 HB2 TYR 55 HB2 TYR 55 -8.556 5.905 5.154 209 HB3 TYR 55 HB1 TYR 55 -10.035 5.215 5.812 210 HD1 TYR 55 HD1 TYR 55 -6.443 4.128 5.703 211 HD2 TYR 55 HD2 TYR 55 -9.893 4.885 8.074 212 HE1 TYR 55 HE1 TYR 55 -5.214 3.407 7.708 213 HE2 TYR 55 HE2 TYR 55 -8.674 4.166 10.086 214 HH TYR 55 HH TYR 55 -6.816 3.043 10.807 215 H ASN 56 HN ASN 56 -11.412 3.274 4.865 216 HA ASN 56 HA ASN 56 -10.977 0.999 6.475 217 HB2 ASN 56 HB2 ASN 56 -13.296 2.295 5.192 218 HB3 ASN 56 HB1 ASN 56 -13.475 0.570 5.493 219 HD21 ASN 56 HD21 ASN 56 -14.853 2.836 6.705 220 HD22 ASN 56 HD22 ASN 56 -14.561 2.720 8.405 221 H GLY 57 HN GLY 57 -11.498 1.415 3.031 222 HA2 GLY 57 HA2 GLY 57 -11.842 -1.285 2.334 223 HA3 GLY 57 HA1 GLY 57 -11.288 -0.015 1.256 224 H PHE 58 HN PHE 58 -8.919 0.664 2.648 225 HA PHE 58 HA PHE 58 -7.111 -1.164 1.535 226 HB2 PHE 58 HB2 PHE 58 -6.618 1.230 2.041 227 HB3 PHE 58 HB1 PHE 58 -6.569 0.824 3.752 228 HD1 PHE 58 HD1 PHE 58 -4.598 0.028 4.730 229 HD2 PHE 58 HD2 PHE 58 -4.948 0.116 0.489 230 HE1 PHE 58 HE1 PHE 58 -2.210 -0.541 4.521 231 HE2 PHE 58 HE2 PHE 58 -2.566 -0.451 0.280 232 HZ PHE 58 HZ PHE 58 -1.196 -0.785 2.297 233 H LEU 59 HN LEU 59 -8.376 -0.833 4.807 234 HA LEU 59 HA LEU 59 -6.673 -2.727 6.026 235 HB2 LEU 59 HB2 LEU 59 -9.442 -1.789 6.780 236 HB3 LEU 59 HB1 LEU 59 -8.423 -2.786 7.801 237 HG LEU 59 HG LEU 59 -7.567 -0.069 6.822 238 HD11 LEU 59 HD11 LEU 59 -9.097 -0.834 9.290 239 HD12 LEU 59 HD12 LEU 59 -9.501 0.388 8.086 240 HD13 LEU 59 HD13 LEU 59 -8.143 0.645 9.182 241 HD21 LEU 59 HD21 LEU 59 -5.919 -0.205 8.546 242 HD22 LEU 59 HD22 LEU 59 -5.832 -1.688 7.598 243 HD23 LEU 59 HD23 LEU 59 -6.621 -1.698 9.174 244 H GLU 60 HN GLU 60 -9.783 -2.998 4.396 245 HA GLU 60 HA GLU 60 -10.330 -5.683 5.050 246 HB2 GLU 60 HB2 GLU 60 -11.120 -4.077 2.610 247 HB3 GLU 60 HB1 GLU 60 -11.789 -5.649 3.022 248 HG2 GLU 60 HG2 GLU 60 -11.984 -3.195 4.751 249 HG3 GLU 60 HG1 GLU 60 -13.246 -3.767 3.660 250 H ILE 61 HN ILE 61 -8.536 -4.191 2.411 251 HA ILE 61 HA ILE 61 -7.991 -6.508 0.918 252 HB ILE 61 HB ILE 61 -6.328 -3.997 1.185 253 HG12 ILE 61 HG12 ILE 61 -8.364 -4.746 -0.921 254 HG13 ILE 61 HG11 ILE 61 -8.677 -3.647 0.418 255 HG21 ILE 61 HG21 ILE 61 -5.328 -4.612 -0.941 256 HG22 ILE 61 HG22 ILE 61 -6.287 -6.092 -0.979 257 HG23 ILE 61 HG23 ILE 61 -5.050 -5.873 0.260 258 HD11 ILE 61 HD11 ILE 61 -6.653 -3.242 -1.770 259 HD12 ILE 61 HD12 ILE 61 -6.942 -2.148 -0.417 260 HD13 ILE 61 HD13 ILE 61 -8.208 -2.422 -1.612 261 H MET 62 HN MET 62 -6.212 -4.900 3.521 262 HA MET 62 HA MET 62 -3.965 -6.587 3.544 263 HB2 MET 62 HB2 MET 62 -5.187 -4.671 5.468 264 HB3 MET 62 HB1 MET 62 -4.006 -5.811 6.097 265 HG2 MET 62 HG2 MET 62 -2.945 -4.714 3.716 266 HG3 MET 62 HG1 MET 62 -3.569 -3.384 4.693 267 HE1 MET 62 HE1 MET 62 -2.202 -6.770 6.274 268 HE2 MET 62 HE2 MET 62 -0.470 -6.444 6.245 269 HE3 MET 62 HE3 MET 62 -1.367 -6.600 4.733 270 H LYS 63 HN LYS 63 -7.110 -6.852 5.080 271 HA LYS 63 HA LYS 63 -6.554 -8.970 6.826 272 HB2 LYS 63 HB2 LYS 63 -9.108 -8.198 5.416 273 HB3 LYS 63 HB1 LYS 63 -9.027 -9.476 6.618 274 HG2 LYS 63 HG2 LYS 63 -8.251 -7.848 8.281 275 HG3 LYS 63 HG1 LYS 63 -8.377 -6.568 7.072 276 HD2 LYS 63 HD2 LYS 63 -10.773 -7.027 6.843 277 HD3 LYS 63 HD1 LYS 63 -10.643 -8.295 8.062 278 HE2 LYS 63 HE2 LYS 63 -10.124 -6.730 9.769 279 HE3 LYS 63 HE1 LYS 63 -9.864 -5.441 8.596 280 HZ1 LYS 63 HZ1 LYS 63 -12.231 -5.553 8.033 281 HZ2 LYS 63 HZ2 LYS 63 -11.986 -5.166 9.665 282 HZ3 LYS 63 HZ3 LYS 63 -12.456 -6.730 9.232 283 H GLU 64 HN GLU 64 -7.736 -9.003 3.471 284 HA GLU 64 HA GLU 64 -7.998 -11.779 3.191 285 HB2 GLU 64 HB2 GLU 64 -7.239 -9.802 1.032 286 HB3 GLU 64 HB1 GLU 64 -7.928 -11.400 0.784 287 HG2 GLU 64 HG2 GLU 64 -9.947 -10.648 2.012 288 HG3 GLU 64 HG1 GLU 64 -9.256 -9.028 2.056 289 H PHE 65 HN PHE 65 -5.222 -9.668 2.693 290 HA PHE 65 HA PHE 65 -3.520 -11.675 1.638 291 HB2 PHE 65 HB2 PHE 65 -3.122 -9.243 1.346 292 HB3 PHE 65 HB1 PHE 65 -2.726 -9.124 3.057 293 HD1 PHE 65 HD1 PHE 65 -0.565 -9.586 3.821 294 HD2 PHE 65 HD2 PHE 65 -1.693 -10.718 -0.123 295 HE1 PHE 65 HE1 PHE 65 1.776 -10.156 3.318 296 HE2 PHE 65 HE2 PHE 65 0.645 -11.295 -0.637 297 HZ PHE 65 HZ PHE 65 2.387 -11.015 1.091 298 H LYS 66 HN LYS 66 -4.042 -10.413 4.906 299 HA LYS 66 HA LYS 66 -2.000 -11.910 6.147 300 HB2 LYS 66 HB2 LYS 66 -4.527 -10.702 7.271 301 HB3 LYS 66 HB1 LYS 66 -3.269 -11.433 8.258 302 HG2 LYS 66 HG2 LYS 66 -1.662 -9.789 7.455 303 HG3 LYS 66 HG1 LYS 66 -2.899 -9.060 6.434 304 HD2 LYS 66 HD2 LYS 66 -2.833 -7.682 8.324 305 HD3 LYS 66 HD1 LYS 66 -4.223 -8.729 8.611 306 HE2 LYS 66 HE2 LYS 66 -3.119 -9.963 10.238 307 HE3 LYS 66 HE1 LYS 66 -1.526 -9.496 9.645 308 HZ1 LYS 66 HZ1 LYS 66 -2.111 -7.184 10.399 309 HZ2 LYS 66 HZ2 LYS 66 -1.866 -8.315 11.629 310 HZ3 LYS 66 HZ3 LYS 66 -3.437 -7.857 11.207 311 H SER 67 HN SER 67 -5.344 -12.636 5.370 312 HA SER 67 HA SER 67 -5.302 -15.131 6.826 313 HB2 SER 67 HB2 SER 67 -7.357 -14.161 4.822 314 HB3 SER 67 HB1 SER 67 -7.576 -15.405 6.053 315 HG SER 67 HG SER 67 -7.461 -13.844 7.640 316 H GLN 68 HN GLN 68 -3.791 -14.204 4.143 317 HA GLN 68 HA GLN 68 -2.839 -15.220 2.362 318 HB2 GLN 68 HB2 GLN 68 -3.396 -17.460 4.221 319 HB3 GLN 68 HB1 GLN 68 -3.003 -17.889 2.561 320 HG2 GLN 68 HG2 GLN 68 -0.923 -16.638 2.716 321 HG3 GLN 68 HG1 GLN 68 -1.316 -16.166 4.366 322 HE21 GLN 68 HE21 GLN 68 -1.001 -17.596 6.011 323 HE22 GLN 68 HE22 GLN 68 -0.242 -19.137 5.805 324 H SER 69 HN SER 69 -5.643 -14.498 2.199 325 HA SER 69 HA SER 69 -6.919 -16.553 0.615 326 HB2 SER 69 HB2 SER 69 -7.725 -13.650 0.945 327 HB3 SER 69 HB1 SER 69 -8.739 -14.976 0.387 328 HG SER 69 HG SER 69 -8.318 -15.942 2.514 329 H ILE 70 HN ILE 70 -4.877 -13.824 0.142 330 HA ILE 70 HA ILE 70 -4.840 -14.338 -2.742 331 HB ILE 70 HB ILE 70 -4.549 -11.845 -3.101 332 HG12 ILE 70 HG12 ILE 70 -5.811 -11.702 -0.352 333 HG13 ILE 70 HG11 ILE 70 -4.148 -11.270 -0.731 334 HG21 ILE 70 HG21 ILE 70 -6.583 -13.041 -3.743 335 HG22 ILE 70 HG22 ILE 70 -6.945 -11.407 -3.182 336 HG23 ILE 70 HG23 ILE 70 -7.241 -12.786 -2.125 337 HD11 ILE 70 HD11 ILE 70 -4.974 -9.490 -2.217 338 HD12 ILE 70 HD12 ILE 70 -5.515 -9.288 -0.549 339 HD13 ILE 70 HD13 ILE 70 -6.624 -9.910 -1.771 340 H ASP 71 HN ASP 71 -2.879 -13.343 -3.755 341 HA ASP 71 HA ASP 71 -0.619 -13.402 -1.856 342 HB2 ASP 71 HB2 ASP 71 -1.007 -14.617 -4.532 343 HB3 ASP 71 HB1 ASP 71 0.574 -13.903 -4.231 344 H THR 72 HN THR 72 1.356 -12.471 -3.566 345 HA THR 72 HA THR 72 1.215 -9.742 -3.309 346 HB THR 72 HB THR 72 2.809 -10.991 -5.523 347 HG1 THR 72 HG1 THR 72 4.196 -11.830 -4.020 348 HG21 THR 72 HG21 THR 72 4.470 -9.328 -4.813 349 HG22 THR 72 HG22 THR 72 3.380 -8.782 -3.540 350 HG23 THR 72 HG23 THR 72 2.941 -8.555 -5.233 351 HA PRO 73 HA PRO 73 -0.028 -9.234 -8.000 352 HB2 PRO 73 HB2 PRO 73 -1.337 -11.395 -9.098 353 HB3 PRO 73 HB1 PRO 73 0.390 -11.057 -9.324 354 HG2 PRO 73 HG2 PRO 73 -0.926 -12.947 -7.435 355 HG3 PRO 73 HG1 PRO 73 0.543 -13.160 -8.410 356 HD2 PRO 73 HD2 PRO 73 0.682 -12.604 -5.794 357 HD3 PRO 73 HD1 PRO 73 1.853 -11.941 -6.951 358 H GLY 74 HN GLY 74 -1.845 -11.060 -5.673 359 HA2 GLY 74 HA2 GLY 74 -4.421 -10.171 -6.651 360 HA3 GLY 74 HA1 GLY 74 -4.123 -11.120 -5.201 361 H VAL 75 HN VAL 75 -2.339 -9.510 -3.848 362 HA VAL 75 HA VAL 75 -4.076 -7.638 -2.655 363 HB VAL 75 HB VAL 75 -2.030 -8.848 -1.638 364 HG11 VAL 75 HG11 VAL 75 -0.285 -8.120 -3.086 365 HG12 VAL 75 HG12 VAL 75 -0.010 -7.395 -1.501 366 HG13 VAL 75 HG13 VAL 75 -0.684 -6.424 -2.811 367 HG21 VAL 75 HG21 VAL 75 -1.687 -6.891 -0.042 368 HG22 VAL 75 HG22 VAL 75 -3.334 -7.486 -0.259 369 HG23 VAL 75 HG23 VAL 75 -2.818 -6.012 -1.074 370 H ILE 76 HN ILE 76 -1.573 -7.303 -5.107 371 HA ILE 76 HA ILE 76 -1.531 -4.462 -5.100 372 HB ILE 76 HB ILE 76 -0.679 -6.434 -7.237 373 HG12 ILE 76 HG12 ILE 76 0.927 -4.766 -5.279 374 HG13 ILE 76 HG11 ILE 76 0.604 -6.490 -5.120 375 HG21 ILE 76 HG21 ILE 76 -0.487 -3.437 -7.134 376 HG22 ILE 76 HG22 ILE 76 -1.101 -4.458 -8.435 377 HG23 ILE 76 HG23 ILE 76 0.629 -4.407 -8.094 378 HD11 ILE 76 HD11 ILE 76 2.300 -5.098 -7.161 379 HD12 ILE 76 HD12 ILE 76 1.778 -6.775 -7.331 380 HD13 ILE 76 HD13 ILE 76 2.781 -6.296 -5.962 381 H ARG 77 HN ARG 77 -3.308 -6.892 -6.968 382 HA ARG 77 HA ARG 77 -4.569 -5.118 -8.759 383 HB2 ARG 77 HB2 ARG 77 -4.457 -7.634 -8.966 384 HB3 ARG 77 HB1 ARG 77 -5.719 -7.720 -7.743 385 HG2 ARG 77 HG2 ARG 77 -6.996 -6.112 -9.360 386 HG3 ARG 77 HG1 ARG 77 -5.869 -6.751 -10.558 387 HD2 ARG 77 HD2 ARG 77 -7.875 -8.059 -10.611 388 HD3 ARG 77 HD1 ARG 77 -6.578 -9.039 -9.924 389 HE ARG 77 HE ARG 77 -8.619 -7.685 -8.278 390 HH11 ARG 77 HH11 ARG 77 -7.255 -11.422 -7.700 391 HH12 ARG 77 HH12 ARG 77 -6.649 -10.488 -9.029 392 HH21 ARG 77 HH21 ARG 77 -9.376 -8.889 -6.511 393 HH22 ARG 77 HH22 ARG 77 -8.804 -10.508 -6.263 394 H ARG 78 HN ARG 78 -5.465 -6.332 -5.569 395 HA ARG 78 HA ARG 78 -8.049 -5.295 -5.378 396 HB2 ARG 78 HB2 ARG 78 -5.924 -6.106 -3.464 397 HB3 ARG 78 HB1 ARG 78 -7.192 -5.069 -2.829 398 HG2 ARG 78 HG2 ARG 78 -7.709 -7.657 -4.269 399 HG3 ARG 78 HG1 ARG 78 -7.578 -7.508 -2.514 400 HD2 ARG 78 HD2 ARG 78 -9.379 -5.661 -2.804 401 HD3 ARG 78 HD1 ARG 78 -9.677 -6.434 -4.360 402 HE ARG 78 HE ARG 78 -9.699 -8.143 -1.984 403 HH11 ARG 78 HH11 ARG 78 -11.522 -6.425 -4.446 404 HH12 ARG 78 HH12 ARG 78 -12.986 -7.309 -4.157 405 HH21 ARG 78 HH21 ARG 78 -13.060 -8.917 -2.499 406 HH22 ARG 78 HH22 ARG 78 -11.642 -9.251 -1.540 407 H VAL 79 HN VAL 79 -4.923 -3.843 -4.613 408 HA VAL 79 HA VAL 79 -6.011 -1.359 -3.728 409 HB VAL 79 HB VAL 79 -3.223 -2.220 -4.480 410 HG11 VAL 79 HG11 VAL 79 -3.382 0.145 -5.008 411 HG12 VAL 79 HG12 VAL 79 -2.418 -0.087 -3.549 412 HG13 VAL 79 HG13 VAL 79 -4.087 0.470 -3.424 413 HG21 VAL 79 HG21 VAL 79 -3.756 -3.179 -2.455 414 HG22 VAL 79 HG22 VAL 79 -4.750 -1.813 -1.950 415 HG23 VAL 79 HG23 VAL 79 -2.994 -1.669 -1.960 416 H SER 80 HN SER 80 -4.998 -2.636 -6.814 417 HA SER 80 HA SER 80 -4.713 -0.245 -8.234 418 HB2 SER 80 HB2 SER 80 -5.641 -2.963 -9.196 419 HB3 SER 80 HB1 SER 80 -5.168 -1.635 -10.252 420 HG SER 80 HG SER 80 -3.497 -2.845 -8.294 421 H GLN 81 HN GLN 81 -7.536 -2.020 -7.239 422 HA GLN 81 HA GLN 81 -9.322 -0.423 -8.879 423 HB2 GLN 81 HB2 GLN 81 -9.720 -2.681 -6.935 424 HB3 GLN 81 HB1 GLN 81 -11.076 -1.732 -7.519 425 HG2 GLN 81 HG2 GLN 81 -9.189 -2.950 -9.480 426 HG3 GLN 81 HG1 GLN 81 -10.419 -3.955 -8.713 427 HE21 GLN 81 HE21 GLN 81 -9.803 -1.330 -10.906 428 HE22 GLN 81 HE22 GLN 81 -11.402 -1.233 -11.564 429 H LEU 82 HN LEU 82 -8.092 -0.509 -5.650 430 HA LEU 82 HA LEU 82 -10.089 1.200 -4.494 431 HB2 LEU 82 HB2 LEU 82 -8.710 -0.451 -3.210 432 HB3 LEU 82 HB1 LEU 82 -7.317 0.580 -3.476 433 HG LEU 82 HG LEU 82 -8.538 2.406 -2.255 434 HD11 LEU 82 HD11 LEU 82 -10.440 1.877 -0.918 435 HD12 LEU 82 HD12 LEU 82 -10.381 0.184 -1.404 436 HD13 LEU 82 HD13 LEU 82 -10.803 1.424 -2.584 437 HD21 LEU 82 HD21 LEU 82 -8.023 1.531 -0.068 438 HD22 LEU 82 HD22 LEU 82 -6.802 0.992 -1.221 439 HD23 LEU 82 HD23 LEU 82 -8.060 -0.122 -0.686 440 H PHE 83 HN PHE 83 -6.674 1.645 -5.399 441 HA PHE 83 HA PHE 83 -7.014 4.547 -5.211 442 HB2 PHE 83 HB2 PHE 83 -4.536 2.895 -5.772 443 HB3 PHE 83 HB1 PHE 83 -4.568 4.642 -5.582 444 HD1 PHE 83 HD1 PHE 83 -6.818 4.113 -3.259 445 HD2 PHE 83 HD2 PHE 83 -2.790 2.963 -3.999 446 HE1 PHE 83 HE1 PHE 83 -6.456 3.840 -0.847 447 HE2 PHE 83 HE2 PHE 83 -2.426 2.684 -1.581 448 HZ PHE 83 HZ PHE 83 -4.259 3.117 -0.005 449 H HIS 84 HN HIS 84 -8.523 3.483 -7.210 450 HA HIS 84 HA HIS 84 -7.216 3.410 -9.727 451 HB2 HIS 84 HB2 HIS 84 -9.480 3.526 -10.696 452 HB3 HIS 84 HB1 HIS 84 -9.375 2.329 -9.413 453 HD2 HIS 84 HD2 HIS 84 -10.274 3.681 -6.813 454 HE1 HIS 84 HE1 HIS 84 -13.341 5.574 -9.020 455 HE2 HIS 84 HE2 HIS 84 -12.540 4.935 -6.702 456 H GLU 85 HN GLU 85 -7.980 5.953 -7.670 457 HA GLU 85 HA GLU 85 -8.007 7.918 -9.838 458 HB2 GLU 85 HB2 GLU 85 -8.839 8.014 -6.950 459 HB3 GLU 85 HB1 GLU 85 -8.525 9.497 -7.841 460 HG2 GLU 85 HG2 GLU 85 -10.504 7.389 -8.667 461 HG3 GLU 85 HG1 GLU 85 -10.899 8.844 -7.753 462 H HIS 86 HN HIS 86 -5.901 6.461 -7.668 463 HA HIS 86 HA HIS 86 -3.969 8.639 -8.032 464 HB2 HIS 86 HB2 HIS 86 -4.304 7.086 -5.456 465 HB3 HIS 86 HB1 HIS 86 -3.106 8.337 -5.766 466 HD2 HIS 86 HD2 HIS 86 -4.411 10.924 -6.378 467 HE1 HIS 86 HE1 HIS 86 -7.628 9.939 -3.811 468 HE2 HIS 86 HE2 HIS 86 -6.490 11.812 -5.090 469 HA PRO 87 HA PRO 87 -2.298 4.581 -9.570 470 HB2 PRO 87 HB2 PRO 87 -0.777 5.826 -11.516 471 HB3 PRO 87 HB1 PRO 87 -2.431 5.229 -11.763 472 HG2 PRO 87 HG2 PRO 87 -1.484 8.001 -11.232 473 HG3 PRO 87 HG1 PRO 87 -2.781 7.427 -12.299 474 HD2 PRO 87 HD2 PRO 87 -3.290 8.527 -9.897 475 HD3 PRO 87 HD1 PRO 87 -4.298 7.240 -10.584 476 H ASP 88 HN ASP 88 -0.790 7.661 -8.832 477 HA ASP 88 HA ASP 88 1.887 6.851 -8.680 478 HB2 ASP 88 HB2 ASP 88 0.610 8.974 -6.952 479 HB3 ASP 88 HB1 ASP 88 2.283 8.895 -7.493 480 H LEU 89 HN LEU 89 -0.749 6.556 -6.414 481 HA LEU 89 HA LEU 89 0.865 5.878 -4.148 482 HB2 LEU 89 HB2 LEU 89 -2.039 5.938 -4.768 483 HB3 LEU 89 HB1 LEU 89 -1.520 4.905 -3.450 484 HG LEU 89 HG LEU 89 -0.978 7.872 -3.638 485 HD11 LEU 89 HD11 LEU 89 -2.577 7.989 -1.749 486 HD12 LEU 89 HD12 LEU 89 -2.961 6.288 -2.026 487 HD13 LEU 89 HD13 LEU 89 -3.308 7.488 -3.271 488 HD21 LEU 89 HD21 LEU 89 -0.296 5.775 -1.603 489 HD22 LEU 89 HD22 LEU 89 -0.403 7.484 -1.180 490 HD23 LEU 89 HD23 LEU 89 0.770 6.945 -2.382 491 H ILE 90 HN ILE 90 -0.483 4.146 -6.811 492 HA ILE 90 HA ILE 90 -0.250 1.546 -5.575 493 HB ILE 90 HB ILE 90 -0.594 2.193 -8.511 494 HG12 ILE 90 HG12 ILE 90 -2.768 1.560 -6.506 495 HG13 ILE 90 HG11 ILE 90 -2.349 3.195 -7.007 496 HG21 ILE 90 HG21 ILE 90 -1.592 -0.066 -8.610 497 HG22 ILE 90 HG22 ILE 90 -1.140 -0.313 -6.924 498 HG23 ILE 90 HG23 ILE 90 0.111 -0.085 -8.146 499 HD11 ILE 90 HD11 ILE 90 -4.298 2.281 -8.182 500 HD12 ILE 90 HD12 ILE 90 -3.271 1.021 -8.863 501 HD13 ILE 90 HD13 ILE 90 -2.984 2.712 -9.273 502 H VAL 91 HN VAL 91 1.501 3.428 -8.007 503 HA VAL 91 HA VAL 91 3.514 1.491 -8.506 504 HB VAL 91 HB VAL 91 3.810 4.481 -8.850 505 HG11 VAL 91 HG11 VAL 91 5.838 3.029 -9.108 506 HG12 VAL 91 HG12 VAL 91 5.401 3.948 -10.548 507 HG13 VAL 91 HG13 VAL 91 5.020 2.230 -10.448 508 HG21 VAL 91 HG21 VAL 91 3.029 3.966 -11.224 509 HG22 VAL 91 HG22 VAL 91 1.795 4.002 -9.964 510 HG23 VAL 91 HG23 VAL 91 2.397 2.457 -10.563 511 H GLY 92 HN GLY 92 3.119 4.020 -6.127 512 HA2 GLY 92 HA2 GLY 92 5.764 4.190 -5.201 513 HA3 GLY 92 HA1 GLY 92 4.329 4.576 -4.257 514 H PHE 93 HN PHE 93 3.119 2.017 -4.320 515 HA PHE 93 HA PHE 93 4.389 0.773 -2.131 516 HB2 PHE 93 HB2 PHE 93 2.021 0.507 -2.371 517 HB3 PHE 93 HB1 PHE 93 2.191 -0.144 -3.996 518 HD1 PHE 93 HD1 PHE 93 3.117 -0.876 -0.464 519 HD2 PHE 93 HD2 PHE 93 2.176 -2.428 -4.315 520 HE1 PHE 93 HE1 PHE 93 3.139 -3.159 0.453 521 HE2 PHE 93 HE2 PHE 93 2.195 -4.711 -3.404 522 HZ PHE 93 HZ PHE 93 2.672 -5.079 -1.016 523 H ASN 94 HN ASN 94 4.422 0.163 -5.582 524 HA ASN 94 HA ASN 94 5.693 -2.342 -5.560 525 HB2 ASN 94 HB2 ASN 94 4.582 -0.916 -7.500 526 HB3 ASN 94 HB1 ASN 94 6.238 -0.398 -7.765 527 HD21 ASN 94 HD21 ASN 94 4.024 -3.066 -7.851 528 HD22 ASN 94 HD22 ASN 94 5.043 -4.140 -8.749 529 H ALA 95 HN ALA 95 6.906 0.891 -5.158 530 HA ALA 95 HA ALA 95 9.678 0.021 -5.442 531 HB1 ALA 95 HB1 ALA 95 8.807 2.205 -6.378 532 HB2 ALA 95 HB2 ALA 95 10.277 2.305 -5.405 533 HB3 ALA 95 HB3 ALA 95 8.724 2.775 -4.712 534 H PHE 96 HN PHE 96 7.326 0.547 -3.005 535 HA PHE 96 HA PHE 96 9.339 0.751 -0.898 536 HB2 PHE 96 HB2 PHE 96 6.480 1.435 -1.151 537 HB3 PHE 96 HB1 PHE 96 6.953 0.767 0.408 538 HD1 PHE 96 HD1 PHE 96 7.601 3.501 -1.994 539 HD2 PHE 96 HD2 PHE 96 8.189 2.039 1.962 540 HE1 PHE 96 HE1 PHE 96 8.461 5.702 -1.307 541 HE2 PHE 96 HE2 PHE 96 9.049 4.239 2.649 542 HZ PHE 96 HZ PHE 96 9.185 6.070 1.014 543 H LEU 97 HN LEU 97 9.395 -1.654 -2.205 544 HA LEU 97 HA LEU 97 8.096 -3.490 -0.315 545 HB2 LEU 97 HB2 LEU 97 8.859 -3.802 -3.205 546 HB3 LEU 97 HB1 LEU 97 8.621 -5.203 -2.179 547 HG LEU 97 HG LEU 97 6.523 -3.091 -2.685 548 HD11 LEU 97 HD11 LEU 97 7.223 -4.516 -4.670 549 HD12 LEU 97 HD12 LEU 97 5.514 -4.529 -4.236 550 HD13 LEU 97 HD13 LEU 97 6.550 -5.883 -3.784 551 HD21 LEU 97 HD21 LEU 97 5.023 -4.826 -1.706 552 HD22 LEU 97 HD22 LEU 97 6.194 -4.167 -0.565 553 HD23 LEU 97 HD23 LEU 97 6.458 -5.757 -1.277 554 HA PRO 98 HA PRO 98 12.411 -3.829 1.016 555 HB2 PRO 98 HB2 PRO 98 11.757 -5.414 3.183 556 HB3 PRO 98 HB1 PRO 98 11.775 -3.646 3.206 557 HG2 PRO 98 HG2 PRO 98 9.474 -5.502 2.953 558 HG3 PRO 98 HG1 PRO 98 9.598 -3.952 3.808 559 HD2 PRO 98 HD2 PRO 98 8.358 -4.181 1.434 560 HD3 PRO 98 HD1 PRO 98 9.237 -2.713 1.910 561 H SER 99 HN SER 99 10.074 -6.499 0.983 562 HA SER 99 HA SER 99 12.133 -8.481 0.574 563 HB2 SER 99 HB2 SER 99 9.427 -9.385 0.049 564 HB3 SER 99 HB1 SER 99 10.527 -9.872 1.339 565 HG SER 99 HG SER 99 8.784 -8.915 2.311 566 H GLY 100 HN GLY 100 13.103 -8.051 -1.399 567 HA2 GLY 100 HA2 GLY 100 11.371 -8.479 -3.747 568 HA3 GLY 100 HA1 GLY 100 12.535 -7.159 -3.731 569 HA PRO 101 HA PRO 101 14.804 -10.696 -5.534 570 HB2 PRO 101 HB2 PRO 101 15.862 -9.393 -7.633 571 HB3 PRO 101 HB1 PRO 101 14.168 -9.910 -7.635 572 HG2 PRO 101 HG2 PRO 101 15.304 -7.218 -7.176 573 HG3 PRO 101 HG1 PRO 101 13.837 -7.692 -8.047 574 HD2 PRO 101 HD2 PRO 101 13.891 -6.732 -5.444 575 HD3 PRO 101 HD1 PRO 101 12.565 -7.664 -6.168 576 H SER 102 HN SER 102 15.597 -8.611 -3.442 577 HA SER 102 HA SER 102 18.326 -7.967 -4.023 578 HB2 SER 102 HB2 SER 102 17.266 -7.903 -1.241 579 HB3 SER 102 HB1 SER 102 18.229 -6.704 -2.110 580 HG SER 102 HG SER 102 16.413 -5.992 -3.149 581 H SER 103 HN SER 103 20.012 -8.567 -2.281 582 HA SER 103 HA SER 103 20.474 -11.329 -2.360 583 HB2 SER 103 HB2 SER 103 21.754 -9.506 -0.338 584 HB3 SER 103 HB1 SER 103 22.469 -10.862 -1.211 585 HG SER 103 HG SER 103 23.203 -9.242 -2.388 586 H GLY 104 HN GLY 104 19.755 -12.944 -1.160 587 HA2 GLY 104 HA2 GLY 104 19.594 -13.442 1.400 588 HA3 GLY 104 HA1 GLY 104 18.251 -12.315 1.272 Start of MODEL 9 1 H1 GLY 25 HN GLY 25 11.489 23.651 -5.448 2 HA2 GLY 25 HA2 GLY 25 13.965 22.119 -5.367 3 HA3 GLY 25 HA1 GLY 25 13.044 22.187 -3.871 4 H SER 26 HN SER 26 13.382 19.749 -4.726 5 HA SER 26 HA SER 26 10.829 19.049 -6.017 6 HB2 SER 26 HB2 SER 26 13.334 17.390 -6.254 7 HB3 SER 26 HB1 SER 26 11.857 17.281 -7.210 8 HG SER 26 HG SER 26 13.891 19.241 -7.291 9 H SER 27 HN SER 27 9.537 17.886 -4.770 10 HA SER 27 HA SER 27 10.393 16.924 -2.216 11 HB2 SER 27 HB2 SER 27 7.794 15.951 -3.082 12 HB3 SER 27 HB1 SER 27 8.192 17.046 -1.758 13 HG SER 27 HG SER 27 6.873 17.827 -3.679 14 H GLY 28 HN GLY 28 10.178 14.695 -1.489 15 HA2 GLY 28 HA2 GLY 28 9.641 12.374 -2.323 16 HA3 GLY 28 HA1 GLY 28 10.664 12.791 -3.690 17 H SER 29 HN SER 29 10.615 12.147 -0.243 18 HA SER 29 HA SER 29 13.447 12.219 0.080 19 HB2 SER 29 HB2 SER 29 11.520 10.732 1.864 20 HB3 SER 29 HB1 SER 29 13.049 11.495 2.306 21 HG SER 29 HG SER 29 11.712 13.449 1.354 22 H SER 30 HN SER 30 14.791 10.800 -0.790 23 HA SER 30 HA SER 30 13.849 8.056 -1.271 24 HB2 SER 30 HB2 SER 30 16.195 9.508 -2.520 25 HB3 SER 30 HB1 SER 30 15.610 7.902 -2.962 26 HG SER 30 HG SER 30 14.439 10.420 -3.412 27 H GLY 31 HN GLY 31 14.683 6.437 -0.126 28 HA2 GLY 31 HA2 GLY 31 16.902 5.484 0.635 29 HA3 GLY 31 HA1 GLY 31 17.088 7.003 1.494 30 H VAL 32 HN VAL 32 14.450 4.633 1.124 31 HA VAL 32 HA VAL 32 13.533 5.000 3.784 32 HB VAL 32 HB VAL 32 12.190 2.908 3.351 33 HG11 VAL 32 HG11 VAL 32 11.182 5.027 2.975 34 HG12 VAL 32 HG12 VAL 32 10.785 4.012 1.587 35 HG13 VAL 32 HG13 VAL 32 12.047 5.237 1.453 36 HG21 VAL 32 HG21 VAL 32 13.293 3.166 0.558 37 HG22 VAL 32 HG22 VAL 32 12.137 1.971 1.148 38 HG23 VAL 32 HG23 VAL 32 13.807 1.938 1.714 39 H HIS 33 HN HIS 33 13.502 3.432 5.491 40 HA HIS 33 HA HIS 33 16.025 1.951 5.629 41 HB2 HIS 33 HB2 HIS 33 14.139 3.012 7.722 42 HB3 HIS 33 HB1 HIS 33 15.409 1.857 8.115 43 HD2 HIS 33 HD2 HIS 33 14.992 5.590 7.092 44 HE1 HIS 33 HE1 HIS 33 19.020 4.887 8.193 45 HE2 HIS 33 HE2 HIS 33 17.311 6.653 7.574 46 H VAL 34 HN VAL 34 15.644 0.034 7.407 47 HA VAL 34 HA VAL 34 14.225 -1.964 6.003 48 HB VAL 34 HB VAL 34 14.698 -3.435 7.913 49 HG11 VAL 34 HG11 VAL 34 16.459 -3.239 6.343 50 HG12 VAL 34 HG12 VAL 34 17.203 -3.114 7.938 51 HG13 VAL 34 HG13 VAL 34 16.937 -1.662 6.974 52 HG21 VAL 34 HG21 VAL 34 15.652 -0.904 9.252 53 HG22 VAL 34 HG22 VAL 34 15.990 -2.529 9.842 54 HG23 VAL 34 HG23 VAL 34 14.327 -1.946 9.770 55 H GLU 35 HN GLU 35 13.258 0.331 8.343 56 HA GLU 35 HA GLU 35 10.774 -1.138 8.877 57 HB2 GLU 35 HB2 GLU 35 11.998 1.272 10.223 58 HB3 GLU 35 HB1 GLU 35 10.404 0.640 10.611 59 HG2 GLU 35 HG2 GLU 35 11.651 -1.587 11.022 60 HG3 GLU 35 HG1 GLU 35 13.086 -0.567 11.117 61 H ASP 36 HN ASP 36 10.693 -0.460 6.416 62 HA ASP 36 HA ASP 36 9.611 2.215 6.040 63 HB2 ASP 36 HB2 ASP 36 9.584 1.601 3.648 64 HB3 ASP 36 HB1 ASP 36 11.170 1.387 4.378 65 H ALA 37 HN ALA 37 8.492 -0.850 6.780 66 HA ALA 37 HA ALA 37 6.059 -1.011 5.431 67 HB1 ALA 37 HB1 ALA 37 6.979 -2.902 6.619 68 HB2 ALA 37 HB2 ALA 37 5.372 -2.542 7.247 69 HB3 ALA 37 HB3 ALA 37 6.803 -2.069 8.162 70 H LEU 38 HN LEU 38 6.781 0.376 8.619 71 HA LEU 38 HA LEU 38 4.110 1.207 9.108 72 HB2 LEU 38 HB2 LEU 38 5.108 2.507 10.973 73 HB3 LEU 38 HB1 LEU 38 5.534 0.809 10.974 74 HG LEU 38 HG LEU 38 7.638 1.882 9.602 75 HD11 LEU 38 HD11 LEU 38 6.819 4.153 10.031 76 HD12 LEU 38 HD12 LEU 38 8.381 3.847 10.789 77 HD13 LEU 38 HD13 LEU 38 6.912 3.845 11.766 78 HD21 LEU 38 HD21 LEU 38 7.820 0.262 11.377 79 HD22 LEU 38 HD22 LEU 38 7.337 1.466 12.573 80 HD23 LEU 38 HD23 LEU 38 8.873 1.633 11.722 81 H THR 39 HN THR 39 6.719 2.588 7.348 82 HA THR 39 HA THR 39 6.029 5.313 7.554 83 HB THR 39 HB THR 39 7.282 4.215 5.062 84 HG1 THR 39 HG1 THR 39 8.605 4.455 7.582 85 HG21 THR 39 HG21 THR 39 8.004 6.577 6.798 86 HG22 THR 39 HG22 THR 39 6.902 6.667 5.424 87 HG23 THR 39 HG23 THR 39 8.591 6.228 5.172 88 H TYR 40 HN TYR 40 5.453 3.047 4.834 89 HA TYR 40 HA TYR 40 3.717 4.835 3.487 90 HB2 TYR 40 HB2 TYR 40 5.021 2.886 2.477 91 HB3 TYR 40 HB1 TYR 40 3.753 1.841 3.109 92 HD1 TYR 40 HD1 TYR 40 1.601 1.721 2.051 93 HD2 TYR 40 HD2 TYR 40 4.485 4.546 0.696 94 HE1 TYR 40 HE1 TYR 40 0.228 2.159 0.054 95 HE2 TYR 40 HE2 TYR 40 3.120 4.984 -1.303 96 HH TYR 40 HH TYR 40 1.309 3.577 -2.654 97 H LEU 41 HN LEU 41 3.215 2.448 5.950 98 HA LEU 41 HA LEU 41 0.496 1.935 5.646 99 HB2 LEU 41 HB2 LEU 41 2.258 0.894 7.235 100 HB3 LEU 41 HB1 LEU 41 1.808 2.181 8.332 101 HG LEU 41 HG LEU 41 0.705 -0.214 8.493 102 HD11 LEU 41 HD11 LEU 41 -1.200 0.752 9.581 103 HD12 LEU 41 HD12 LEU 41 -0.980 2.275 8.718 104 HD13 LEU 41 HD13 LEU 41 0.208 1.756 9.915 105 HD21 LEU 41 HD21 LEU 41 -0.092 -0.201 6.149 106 HD22 LEU 41 HD22 LEU 41 -1.130 1.169 6.539 107 HD23 LEU 41 HD23 LEU 41 -1.398 -0.387 7.321 108 H ASP 42 HN ASP 42 2.131 4.648 7.156 109 HA ASP 42 HA ASP 42 -0.397 5.747 8.109 110 HB2 ASP 42 HB2 ASP 42 1.718 5.842 9.469 111 HB3 ASP 42 HB1 ASP 42 2.338 6.997 8.294 112 H GLN 43 HN GLN 43 1.800 6.119 5.453 113 HA GLN 43 HA GLN 43 1.268 8.736 4.651 114 HB2 GLN 43 HB2 GLN 43 1.863 6.298 2.962 115 HB3 GLN 43 HB1 GLN 43 1.829 7.938 2.338 116 HG2 GLN 43 HG2 GLN 43 3.663 7.003 4.525 117 HG3 GLN 43 HG1 GLN 43 4.102 7.091 2.822 118 HE21 GLN 43 HE21 GLN 43 4.537 9.049 1.898 119 HE22 GLN 43 HE22 GLN 43 4.665 10.520 2.803 120 H VAL 44 HN VAL 44 -0.574 5.795 4.157 121 HA VAL 44 HA VAL 44 -2.442 6.826 2.292 122 HB VAL 44 HB VAL 44 -3.004 4.621 4.276 123 HG11 VAL 44 HG11 VAL 44 -3.956 5.059 1.448 124 HG12 VAL 44 HG12 VAL 44 -4.882 5.429 2.901 125 HG13 VAL 44 HG13 VAL 44 -4.455 3.757 2.533 126 HG21 VAL 44 HG21 VAL 44 -1.500 4.432 1.668 127 HG22 VAL 44 HG22 VAL 44 -2.030 3.065 2.646 128 HG23 VAL 44 HG23 VAL 44 -0.828 4.189 3.280 129 H LYS 45 HN LYS 45 -2.299 6.762 5.803 130 HA LYS 45 HA LYS 45 -4.961 7.587 6.292 131 HB2 LYS 45 HB2 LYS 45 -3.440 6.524 7.974 132 HB3 LYS 45 HB1 LYS 45 -2.539 8.032 8.044 133 HG2 LYS 45 HG2 LYS 45 -4.369 9.185 9.005 134 HG3 LYS 45 HG1 LYS 45 -5.475 7.844 8.676 135 HD2 LYS 45 HD2 LYS 45 -5.024 7.094 10.725 136 HD3 LYS 45 HD1 LYS 45 -3.391 6.736 10.173 137 HE2 LYS 45 HE2 LYS 45 -4.339 9.302 11.438 138 HE3 LYS 45 HE1 LYS 45 -3.323 8.074 12.192 139 HZ1 LYS 45 HZ1 LYS 45 -1.954 9.858 11.460 140 HZ2 LYS 45 HZ2 LYS 45 -2.614 9.832 9.908 141 HZ3 LYS 45 HZ3 LYS 45 -1.643 8.543 10.432 142 H ILE 46 HN ILE 46 -1.967 9.291 5.710 143 HA ILE 46 HA ILE 46 -2.990 11.897 6.322 144 HB ILE 46 HB ILE 46 -0.592 11.180 4.621 145 HG12 ILE 46 HG12 ILE 46 -0.578 11.841 7.564 146 HG13 ILE 46 HG11 ILE 46 -0.635 10.183 6.970 147 HG21 ILE 46 HG21 ILE 46 -1.455 13.701 6.004 148 HG22 ILE 46 HG22 ILE 46 -1.103 13.452 4.294 149 HG23 ILE 46 HG23 ILE 46 0.206 13.424 5.476 150 HD11 ILE 46 HD11 ILE 46 1.497 10.594 5.785 151 HD12 ILE 46 HD12 ILE 46 1.629 10.763 7.534 152 HD13 ILE 46 HD13 ILE 46 1.559 12.200 6.512 153 H ARG 47 HN ARG 47 -2.523 9.975 3.416 154 HA ARG 47 HA ARG 47 -3.187 11.946 1.524 155 HB2 ARG 47 HB2 ARG 47 -2.904 9.007 1.554 156 HB3 ARG 47 HB1 ARG 47 -3.920 9.660 0.276 157 HG2 ARG 47 HG2 ARG 47 -1.106 10.579 0.815 158 HG3 ARG 47 HG1 ARG 47 -1.543 9.338 -0.363 159 HD2 ARG 47 HD2 ARG 47 -2.785 10.872 -1.659 160 HD3 ARG 47 HD1 ARG 47 -2.741 12.094 -0.391 161 HE ARG 47 HE ARG 47 -0.190 11.265 -1.532 162 HH11 ARG 47 HH11 ARG 47 -1.811 14.893 -2.121 163 HH12 ARG 47 HH12 ARG 47 -2.765 13.628 -1.417 164 HH21 ARG 47 HH21 ARG 47 1.063 12.905 -2.499 165 HH22 ARG 47 HH22 ARG 47 0.374 14.478 -2.752 166 H PHE 48 HN PHE 48 -5.187 9.369 2.955 167 HA PHE 48 HA PHE 48 -7.564 10.718 1.871 168 HB2 PHE 48 HB2 PHE 48 -7.190 7.919 2.945 169 HB3 PHE 48 HB1 PHE 48 -8.737 8.581 2.428 170 HD1 PHE 48 HD1 PHE 48 -9.259 8.842 0.101 171 HD2 PHE 48 HD2 PHE 48 -5.423 7.471 1.328 172 HE1 PHE 48 HE1 PHE 48 -8.768 8.158 -2.207 173 HE2 PHE 48 HE2 PHE 48 -4.924 6.785 -0.982 174 HZ PHE 48 HZ PHE 48 -6.597 7.123 -2.752 175 H GLY 49 HN GLY 49 -6.626 12.170 3.813 176 HA2 GLY 49 HA2 GLY 49 -7.359 11.415 6.438 177 HA3 GLY 49 HA1 GLY 49 -7.012 13.047 5.895 178 H SER 50 HN SER 50 -9.045 13.288 3.955 179 HA SER 50 HA SER 50 -11.321 13.636 5.740 180 HB2 SER 50 HB2 SER 50 -10.916 14.648 2.917 181 HB3 SER 50 HB1 SER 50 -12.186 15.142 4.041 182 HG SER 50 HG SER 50 -10.702 16.185 5.275 183 H ASP 51 HN ASP 51 -10.346 11.108 4.038 184 HA ASP 51 HA ASP 51 -13.091 10.393 3.264 185 HB2 ASP 51 HB2 ASP 51 -11.554 10.869 1.277 186 HB3 ASP 51 HB1 ASP 51 -10.669 9.421 1.744 187 HA PRO 52 HA PRO 52 -11.598 7.198 6.170 188 HB2 PRO 52 HB2 PRO 52 -13.975 6.835 7.424 189 HB3 PRO 52 HB1 PRO 52 -12.871 8.156 7.843 190 HG2 PRO 52 HG2 PRO 52 -15.346 8.219 6.209 191 HG3 PRO 52 HG1 PRO 52 -14.728 9.403 7.375 192 HD2 PRO 52 HD2 PRO 52 -14.492 9.661 4.659 193 HD3 PRO 52 HD1 PRO 52 -13.405 10.427 5.830 194 H ALA 53 HN ALA 53 -14.109 7.313 3.807 195 HA ALA 53 HA ALA 53 -15.047 4.648 3.970 196 HB1 ALA 53 HB1 ALA 53 -16.185 6.531 2.773 197 HB2 ALA 53 HB2 ALA 53 -16.062 5.037 1.844 198 HB3 ALA 53 HB3 ALA 53 -14.968 6.378 1.503 199 H THR 54 HN THR 54 -12.717 6.164 1.730 200 HA THR 54 HA THR 54 -11.968 3.690 0.552 201 HB THR 54 HB THR 54 -10.213 6.128 0.542 202 HG1 THR 54 HG1 THR 54 -12.275 6.907 0.074 203 HG21 THR 54 HG21 THR 54 -9.897 5.377 -1.847 204 HG22 THR 54 HG22 THR 54 -10.803 3.922 -1.428 205 HG23 THR 54 HG23 THR 54 -9.272 4.268 -0.626 206 H TYR 55 HN TYR 55 -10.885 5.425 3.360 207 HA TYR 55 HA TYR 55 -8.385 4.107 3.648 208 HB2 TYR 55 HB2 TYR 55 -8.972 6.257 4.770 209 HB3 TYR 55 HB1 TYR 55 -10.079 5.370 5.816 210 HD1 TYR 55 HD1 TYR 55 -6.497 5.586 4.818 211 HD2 TYR 55 HD2 TYR 55 -9.278 4.377 7.808 212 HE1 TYR 55 HE1 TYR 55 -4.634 5.094 6.339 213 HE2 TYR 55 HE2 TYR 55 -7.414 3.888 9.340 214 HH TYR 55 HH TYR 55 -4.424 3.366 8.486 215 H ASN 56 HN ASN 56 -11.637 3.516 4.941 216 HA ASN 56 HA ASN 56 -10.958 1.366 6.624 217 HB2 ASN 56 HB2 ASN 56 -13.395 2.603 5.660 218 HB3 ASN 56 HB1 ASN 56 -13.553 0.849 5.683 219 HD21 ASN 56 HD21 ASN 56 -15.009 2.590 7.320 220 HD22 ASN 56 HD22 ASN 56 -14.555 2.296 8.963 221 H GLY 57 HN GLY 57 -11.930 1.493 3.232 222 HA2 GLY 57 HA2 GLY 57 -12.065 -1.288 2.776 223 HA3 GLY 57 HA1 GLY 57 -11.788 -0.062 1.544 224 H PHE 58 HN PHE 58 -9.391 0.973 2.780 225 HA PHE 58 HA PHE 58 -7.433 -0.609 1.540 226 HB2 PHE 58 HB2 PHE 58 -7.191 1.801 1.938 227 HB3 PHE 58 HB1 PHE 58 -7.157 1.525 3.674 228 HD1 PHE 58 HD1 PHE 58 -5.146 0.980 4.779 229 HD2 PHE 58 HD2 PHE 58 -5.303 0.934 0.524 230 HE1 PHE 58 HE1 PHE 58 -2.694 0.788 4.692 231 HE2 PHE 58 HE2 PHE 58 -2.853 0.740 0.428 232 HZ PHE 58 HZ PHE 58 -1.541 0.670 2.517 233 H LEU 59 HN LEU 59 -8.580 -0.389 4.848 234 HA LEU 59 HA LEU 59 -6.567 -2.064 5.988 235 HB2 LEU 59 HB2 LEU 59 -9.303 -1.478 7.108 236 HB3 LEU 59 HB1 LEU 59 -7.888 -2.014 7.997 237 HG LEU 59 HG LEU 59 -8.039 0.637 6.566 238 HD11 LEU 59 HD11 LEU 59 -9.759 0.480 8.319 239 HD12 LEU 59 HD12 LEU 59 -8.498 1.649 8.704 240 HD13 LEU 59 HD13 LEU 59 -8.507 0.069 9.489 241 HD21 LEU 59 HD21 LEU 59 -6.189 1.169 8.174 242 HD22 LEU 59 HD22 LEU 59 -5.788 -0.018 6.934 243 HD23 LEU 59 HD23 LEU 59 -6.141 -0.547 8.579 244 H GLU 60 HN GLU 60 -9.775 -2.584 4.673 245 HA GLU 60 HA GLU 60 -10.192 -5.225 5.536 246 HB2 GLU 60 HB2 GLU 60 -11.228 -3.626 3.211 247 HB3 GLU 60 HB1 GLU 60 -11.663 -5.317 3.417 248 HG2 GLU 60 HG2 GLU 60 -12.094 -3.233 5.538 249 HG3 GLU 60 HG1 GLU 60 -13.306 -3.665 4.330 250 H ILE 61 HN ILE 61 -8.442 -3.905 2.803 251 HA ILE 61 HA ILE 61 -8.088 -6.316 1.361 252 HB ILE 61 HB ILE 61 -6.399 -3.809 1.394 253 HG12 ILE 61 HG12 ILE 61 -8.554 -4.700 -0.531 254 HG13 ILE 61 HG11 ILE 61 -8.794 -3.519 0.748 255 HG21 ILE 61 HG21 ILE 61 -5.562 -4.563 -0.795 256 HG22 ILE 61 HG22 ILE 61 -6.457 -6.073 -0.603 257 HG23 ILE 61 HG23 ILE 61 -5.135 -5.685 0.496 258 HD11 ILE 61 HD11 ILE 61 -6.842 -3.208 -1.515 259 HD12 ILE 61 HD12 ILE 61 -7.262 -2.004 -0.295 260 HD13 ILE 61 HD13 ILE 61 -8.463 -2.520 -1.481 261 H MET 62 HN MET 62 -6.321 -4.814 3.999 262 HA MET 62 HA MET 62 -3.983 -6.392 3.840 263 HB2 MET 62 HB2 MET 62 -5.244 -5.022 6.222 264 HB3 MET 62 HB1 MET 62 -3.632 -5.718 6.209 265 HG2 MET 62 HG2 MET 62 -3.131 -4.169 4.271 266 HG3 MET 62 HG1 MET 62 -4.639 -3.351 4.675 267 HE1 MET 62 HE1 MET 62 -1.920 -4.910 7.265 268 HE2 MET 62 HE2 MET 62 -0.827 -3.528 7.214 269 HE3 MET 62 HE3 MET 62 -1.173 -4.438 5.740 270 H LYS 63 HN LYS 63 -7.103 -6.882 5.327 271 HA LYS 63 HA LYS 63 -6.479 -9.082 6.964 272 HB2 LYS 63 HB2 LYS 63 -9.037 -8.211 5.625 273 HB3 LYS 63 HB1 LYS 63 -8.957 -9.632 6.657 274 HG2 LYS 63 HG2 LYS 63 -8.352 -8.303 8.546 275 HG3 LYS 63 HG1 LYS 63 -8.178 -6.863 7.541 276 HD2 LYS 63 HD2 LYS 63 -10.532 -6.870 7.041 277 HD3 LYS 63 HD1 LYS 63 -10.746 -8.394 7.907 278 HE2 LYS 63 HE2 LYS 63 -10.162 -7.325 9.997 279 HE3 LYS 63 HE1 LYS 63 -9.806 -5.813 9.161 280 HZ1 LYS 63 HZ1 LYS 63 -12.178 -5.833 8.414 281 HZ2 LYS 63 HZ2 LYS 63 -11.948 -5.606 10.077 282 HZ3 LYS 63 HZ3 LYS 63 -12.447 -7.113 9.495 283 H GLU 64 HN GLU 64 -7.345 -8.846 3.568 284 HA GLU 64 HA GLU 64 -7.678 -11.604 3.099 285 HB2 GLU 64 HB2 GLU 64 -6.633 -9.660 1.056 286 HB3 GLU 64 HB1 GLU 64 -7.599 -11.102 0.784 287 HG2 GLU 64 HG2 GLU 64 -9.449 -9.925 2.063 288 HG3 GLU 64 HG1 GLU 64 -8.469 -8.466 1.925 289 H PHE 65 HN PHE 65 -4.813 -9.527 3.035 290 HA PHE 65 HA PHE 65 -3.138 -11.632 2.038 291 HB2 PHE 65 HB2 PHE 65 -2.731 -9.134 1.711 292 HB3 PHE 65 HB1 PHE 65 -2.184 -9.108 3.385 293 HD1 PHE 65 HD1 PHE 65 -0.118 -10.237 4.037 294 HD2 PHE 65 HD2 PHE 65 -1.419 -10.161 -0.012 295 HE1 PHE 65 HE1 PHE 65 2.116 -10.960 3.309 296 HE2 PHE 65 HE2 PHE 65 0.815 -10.882 -0.750 297 HZ PHE 65 HZ PHE 65 2.585 -11.285 0.914 298 H LYS 66 HN LYS 66 -3.749 -10.159 5.203 299 HA LYS 66 HA LYS 66 -1.746 -11.543 6.613 300 HB2 LYS 66 HB2 LYS 66 -4.343 -10.310 7.524 301 HB3 LYS 66 HB1 LYS 66 -3.179 -11.023 8.635 302 HG2 LYS 66 HG2 LYS 66 -1.496 -9.421 7.937 303 HG3 LYS 66 HG1 LYS 66 -2.610 -8.737 6.754 304 HD2 LYS 66 HD2 LYS 66 -2.645 -7.294 8.632 305 HD3 LYS 66 HD1 LYS 66 -4.151 -8.212 8.680 306 HE2 LYS 66 HE2 LYS 66 -3.045 -9.782 10.280 307 HE3 LYS 66 HE1 LYS 66 -1.666 -8.683 10.318 308 HZ1 LYS 66 HZ1 LYS 66 -3.177 -6.940 11.103 309 HZ2 LYS 66 HZ2 LYS 66 -3.117 -8.251 12.166 310 HZ3 LYS 66 HZ3 LYS 66 -4.443 -8.058 11.141 311 H SER 67 HN SER 67 -5.049 -12.426 5.771 312 HA SER 67 HA SER 67 -4.972 -14.804 7.419 313 HB2 SER 67 HB2 SER 67 -7.021 -14.063 5.319 314 HB3 SER 67 HB1 SER 67 -7.213 -15.205 6.648 315 HG SER 67 HG SER 67 -7.052 -12.396 6.737 316 H GLN 68 HN GLN 68 -3.387 -14.084 4.732 317 HA GLN 68 HA GLN 68 -2.336 -15.258 3.110 318 HB2 GLN 68 HB2 GLN 68 -3.229 -17.511 4.890 319 HB3 GLN 68 HB1 GLN 68 -2.386 -17.827 3.382 320 HG2 GLN 68 HG2 GLN 68 -0.478 -16.567 4.124 321 HG3 GLN 68 HG1 GLN 68 -1.321 -16.105 5.605 322 HE21 GLN 68 HE21 GLN 68 -1.513 -17.577 7.257 323 HE22 GLN 68 HE22 GLN 68 -0.652 -19.076 7.280 324 H SER 69 HN SER 69 -5.101 -14.460 2.746 325 HA SER 69 HA SER 69 -6.277 -16.571 1.149 326 HB2 SER 69 HB2 SER 69 -7.311 -13.747 1.298 327 HB3 SER 69 HB1 SER 69 -8.211 -15.249 1.081 328 HG SER 69 HG SER 69 -8.172 -14.143 3.260 329 H ILE 70 HN ILE 70 -4.985 -13.298 0.641 330 HA ILE 70 HA ILE 70 -4.872 -13.896 -2.238 331 HB ILE 70 HB ILE 70 -4.529 -11.490 -2.611 332 HG12 ILE 70 HG12 ILE 70 -5.067 -11.151 0.345 333 HG13 ILE 70 HG11 ILE 70 -3.471 -11.028 -0.393 334 HG21 ILE 70 HG21 ILE 70 -6.749 -12.155 -2.834 335 HG22 ILE 70 HG22 ILE 70 -6.824 -10.742 -1.780 336 HG23 ILE 70 HG23 ILE 70 -6.962 -12.364 -1.097 337 HD11 ILE 70 HD11 ILE 70 -4.178 -9.111 -1.678 338 HD12 ILE 70 HD12 ILE 70 -4.522 -8.836 0.029 339 HD13 ILE 70 HD13 ILE 70 -5.826 -9.279 -1.072 340 H ASP 71 HN ASP 71 -2.973 -13.626 -3.379 341 HA ASP 71 HA ASP 71 -0.553 -13.805 -1.731 342 HB2 ASP 71 HB2 ASP 71 -1.370 -15.442 -3.713 343 HB3 ASP 71 HB1 ASP 71 -0.418 -14.302 -4.654 344 H THR 72 HN THR 72 1.432 -13.017 -3.320 345 HA THR 72 HA THR 72 1.425 -10.249 -3.159 346 HB THR 72 HB THR 72 3.152 -11.597 -5.193 347 HG1 THR 72 HG1 THR 72 4.346 -12.568 -3.589 348 HG21 THR 72 HG21 THR 72 4.870 -10.153 -4.034 349 HG22 THR 72 HG22 THR 72 3.539 -9.441 -3.121 350 HG23 THR 72 HG23 THR 72 3.593 -9.278 -4.876 351 HA PRO 73 HA PRO 73 0.565 -9.997 -7.957 352 HB2 PRO 73 HB2 PRO 73 -0.745 -12.189 -9.009 353 HB3 PRO 73 HB1 PRO 73 1.004 -11.929 -9.130 354 HG2 PRO 73 HG2 PRO 73 -0.517 -13.628 -7.231 355 HG3 PRO 73 HG1 PRO 73 1.009 -13.962 -8.072 356 HD2 PRO 73 HD2 PRO 73 0.984 -13.236 -5.501 357 HD3 PRO 73 HD1 PRO 73 2.257 -12.693 -6.609 358 H GLY 74 HN GLY 74 -1.504 -11.668 -5.699 359 HA2 GLY 74 HA2 GLY 74 -3.975 -10.844 -6.902 360 HA3 GLY 74 HA1 GLY 74 -3.778 -11.589 -5.324 361 H VAL 75 HN VAL 75 -1.984 -9.692 -4.209 362 HA VAL 75 HA VAL 75 -3.873 -7.766 -3.344 363 HB VAL 75 HB VAL 75 -1.927 -8.700 -1.983 364 HG11 VAL 75 HG11 VAL 75 -0.160 -8.228 -3.634 365 HG12 VAL 75 HG12 VAL 75 0.182 -7.520 -2.056 366 HG13 VAL 75 HG13 VAL 75 -0.401 -6.502 -3.373 367 HG21 VAL 75 HG21 VAL 75 -1.723 -6.661 -0.651 368 HG22 VAL 75 HG22 VAL 75 -3.385 -6.905 -1.187 369 HG23 VAL 75 HG23 VAL 75 -2.364 -5.710 -1.991 370 H ILE 76 HN ILE 76 -1.387 -7.733 -5.796 371 HA ILE 76 HA ILE 76 -1.092 -4.966 -6.136 372 HB ILE 76 HB ILE 76 -0.948 -7.112 -8.270 373 HG12 ILE 76 HG12 ILE 76 1.225 -5.870 -6.570 374 HG13 ILE 76 HG11 ILE 76 0.569 -7.492 -6.367 375 HG21 ILE 76 HG21 ILE 76 -0.007 -4.247 -8.227 376 HG22 ILE 76 HG22 ILE 76 -1.138 -5.002 -9.351 377 HG23 ILE 76 HG23 ILE 76 0.569 -5.438 -9.394 378 HD11 ILE 76 HD11 ILE 76 1.988 -6.514 -8.830 379 HD12 ILE 76 HD12 ILE 76 1.453 -8.160 -8.497 380 HD13 ILE 76 HD13 ILE 76 2.739 -7.442 -7.529 381 H ARG 77 HN ARG 77 -3.419 -7.257 -7.490 382 HA ARG 77 HA ARG 77 -4.759 -5.499 -9.217 383 HB2 ARG 77 HB2 ARG 77 -5.048 -7.925 -9.350 384 HB3 ARG 77 HB1 ARG 77 -5.784 -7.954 -7.754 385 HG2 ARG 77 HG2 ARG 77 -7.669 -6.662 -8.581 386 HG3 ARG 77 HG1 ARG 77 -6.923 -6.573 -10.178 387 HD2 ARG 77 HD2 ARG 77 -8.622 -8.301 -10.128 388 HD3 ARG 77 HD1 ARG 77 -7.026 -9.012 -10.353 389 HE ARG 77 HE ARG 77 -7.643 -8.989 -7.607 390 HH11 ARG 77 HH11 ARG 77 -9.156 -12.019 -9.780 391 HH12 ARG 77 HH12 ARG 77 -8.627 -10.573 -10.577 392 HH21 ARG 77 HH21 ARG 77 -8.294 -10.917 -6.560 393 HH22 ARG 77 HH22 ARG 77 -8.963 -12.216 -7.495 394 H ARG 78 HN ARG 78 -5.185 -6.259 -5.808 395 HA ARG 78 HA ARG 78 -7.567 -4.826 -5.367 396 HB2 ARG 78 HB2 ARG 78 -5.397 -5.935 -3.677 397 HB3 ARG 78 HB1 ARG 78 -6.399 -4.685 -2.953 398 HG2 ARG 78 HG2 ARG 78 -7.508 -7.158 -4.243 399 HG3 ARG 78 HG1 ARG 78 -7.115 -7.049 -2.527 400 HD2 ARG 78 HD2 ARG 78 -8.641 -4.933 -2.594 401 HD3 ARG 78 HD1 ARG 78 -9.261 -5.653 -4.079 402 HE ARG 78 HE ARG 78 -9.202 -7.497 -1.876 403 HH11 ARG 78 HH11 ARG 78 -11.035 -4.895 -3.360 404 HH12 ARG 78 HH12 ARG 78 -12.553 -5.423 -2.707 405 HH21 ARG 78 HH21 ARG 78 -12.648 -7.303 -1.389 406 HH22 ARG 78 HH22 ARG 78 -11.200 -8.202 -1.026 407 H VAL 79 HN VAL 79 -4.164 -3.921 -5.050 408 HA VAL 79 HA VAL 79 -4.546 -1.321 -4.042 409 HB VAL 79 HB VAL 79 -2.273 -2.287 -5.789 410 HG11 VAL 79 HG11 VAL 79 -2.289 0.129 -5.588 411 HG12 VAL 79 HG12 VAL 79 -0.970 -0.531 -4.622 412 HG13 VAL 79 HG13 VAL 79 -2.453 0.013 -3.838 413 HG21 VAL 79 HG21 VAL 79 -1.105 -2.760 -3.676 414 HG22 VAL 79 HG22 VAL 79 -2.545 -3.756 -3.879 415 HG23 VAL 79 HG23 VAL 79 -2.580 -2.368 -2.791 416 H SER 80 HN SER 80 -4.159 -2.499 -7.365 417 HA SER 80 HA SER 80 -4.272 0.025 -8.617 418 HB2 SER 80 HB2 SER 80 -5.058 -2.623 -9.844 419 HB3 SER 80 HB1 SER 80 -4.462 -1.190 -10.683 420 HG SER 80 HG SER 80 -3.056 -2.993 -9.018 421 H GLN 81 HN GLN 81 -6.752 -2.051 -7.390 422 HA GLN 81 HA GLN 81 -8.862 -0.735 -8.881 423 HB2 GLN 81 HB2 GLN 81 -8.785 -2.947 -6.848 424 HB3 GLN 81 HB1 GLN 81 -10.303 -2.201 -7.325 425 HG2 GLN 81 HG2 GLN 81 -8.469 -3.216 -9.429 426 HG3 GLN 81 HG1 GLN 81 -9.435 -4.359 -8.500 427 HE21 GLN 81 HE21 GLN 81 -9.492 -1.754 -10.801 428 HE22 GLN 81 HE22 GLN 81 -11.144 -1.963 -11.284 429 H LEU 82 HN LEU 82 -7.295 -0.475 -5.814 430 HA LEU 82 HA LEU 82 -9.433 1.084 -4.624 431 HB2 LEU 82 HB2 LEU 82 -7.943 -0.491 -3.341 432 HB3 LEU 82 HB1 LEU 82 -6.635 0.646 -3.598 433 HG LEU 82 HG LEU 82 -8.161 2.375 -2.451 434 HD11 LEU 82 HD11 LEU 82 -9.635 1.199 -0.726 435 HD12 LEU 82 HD12 LEU 82 -9.561 -0.200 -1.798 436 HD13 LEU 82 HD13 LEU 82 -10.247 1.319 -2.374 437 HD21 LEU 82 HD21 LEU 82 -6.124 1.491 -1.452 438 HD22 LEU 82 HD22 LEU 82 -7.002 0.071 -0.887 439 HD23 LEU 82 HD23 LEU 82 -7.390 1.662 -0.235 440 H PHE 83 HN PHE 83 -6.139 1.585 -5.814 441 HA PHE 83 HA PHE 83 -6.559 4.489 -5.622 442 HB2 PHE 83 HB2 PHE 83 -3.998 2.936 -6.051 443 HB3 PHE 83 HB1 PHE 83 -4.120 4.679 -5.857 444 HD1 PHE 83 HD1 PHE 83 -5.843 5.083 -3.630 445 HD2 PHE 83 HD2 PHE 83 -2.954 2.021 -4.245 446 HE1 PHE 83 HE1 PHE 83 -5.606 4.833 -1.201 447 HE2 PHE 83 HE2 PHE 83 -2.705 1.764 -1.805 448 HZ PHE 83 HZ PHE 83 -4.030 3.167 -0.283 449 H HIS 84 HN HIS 84 -7.930 3.219 -7.632 450 HA HIS 84 HA HIS 84 -6.603 3.067 -10.109 451 HB2 HIS 84 HB2 HIS 84 -8.880 3.198 -11.094 452 HB3 HIS 84 HB1 HIS 84 -8.772 2.030 -9.790 453 HD2 HIS 84 HD2 HIS 84 -10.005 2.864 -7.356 454 HE1 HIS 84 HE1 HIS 84 -12.370 5.770 -9.325 455 HE2 HIS 84 HE2 HIS 84 -12.029 4.482 -7.169 456 H GLU 85 HN GLU 85 -7.609 5.768 -8.263 457 HA GLU 85 HA GLU 85 -7.422 7.580 -10.564 458 HB2 GLU 85 HB2 GLU 85 -8.960 7.550 -8.131 459 HB3 GLU 85 HB1 GLU 85 -7.981 9.007 -8.193 460 HG2 GLU 85 HG2 GLU 85 -9.735 8.138 -10.468 461 HG3 GLU 85 HG1 GLU 85 -10.298 9.181 -9.162 462 H HIS 86 HN HIS 86 -5.403 6.211 -8.392 463 HA HIS 86 HA HIS 86 -3.557 8.496 -8.468 464 HB2 HIS 86 HB2 HIS 86 -3.549 6.724 -6.057 465 HB3 HIS 86 HB1 HIS 86 -3.001 8.383 -6.219 466 HD2 HIS 86 HD2 HIS 86 -4.811 10.304 -5.534 467 HE1 HIS 86 HE1 HIS 86 -8.050 7.657 -4.851 468 HE2 HIS 86 HE2 HIS 86 -7.245 10.060 -4.655 469 HA PRO 87 HA PRO 87 -1.724 4.568 -10.177 470 HB2 PRO 87 HB2 PRO 87 -0.170 5.937 -12.005 471 HB3 PRO 87 HB1 PRO 87 -1.792 5.304 -12.330 472 HG2 PRO 87 HG2 PRO 87 -0.956 8.071 -11.653 473 HG3 PRO 87 HG1 PRO 87 -2.196 7.508 -12.792 474 HD2 PRO 87 HD2 PRO 87 -2.837 8.486 -10.371 475 HD3 PRO 87 HD1 PRO 87 -3.766 7.189 -11.148 476 H ASP 88 HN ASP 88 -0.333 7.619 -9.151 477 HA ASP 88 HA ASP 88 2.365 6.817 -9.001 478 HB2 ASP 88 HB2 ASP 88 0.973 8.858 -7.252 479 HB3 ASP 88 HB1 ASP 88 2.702 8.733 -7.543 480 H LEU 89 HN LEU 89 -0.314 6.554 -6.734 481 HA LEU 89 HA LEU 89 1.223 5.722 -4.505 482 HB2 LEU 89 HB2 LEU 89 -1.680 5.221 -5.166 483 HB3 LEU 89 HB1 LEU 89 -0.936 4.861 -3.620 484 HG LEU 89 HG LEU 89 -1.346 7.587 -4.844 485 HD11 LEU 89 HD11 LEU 89 -2.632 7.923 -2.724 486 HD12 LEU 89 HD12 LEU 89 -2.469 6.192 -2.425 487 HD13 LEU 89 HD13 LEU 89 -3.343 6.764 -3.846 488 HD21 LEU 89 HD21 LEU 89 0.173 6.781 -2.373 489 HD22 LEU 89 HD22 LEU 89 -0.362 8.428 -2.708 490 HD23 LEU 89 HD23 LEU 89 0.794 7.639 -3.783 491 H ILE 90 HN ILE 90 -0.427 3.969 -7.081 492 HA ILE 90 HA ILE 90 0.075 1.365 -6.086 493 HB ILE 90 HB ILE 90 -0.187 2.069 -9.013 494 HG12 ILE 90 HG12 ILE 90 -2.471 1.533 -7.109 495 HG13 ILE 90 HG11 ILE 90 -1.965 3.158 -7.564 496 HG21 ILE 90 HG21 ILE 90 -1.375 -0.158 -9.016 497 HG22 ILE 90 HG22 ILE 90 -0.786 -0.383 -7.367 498 HG23 ILE 90 HG23 ILE 90 0.357 -0.214 -8.701 499 HD11 ILE 90 HD11 ILE 90 -3.913 2.257 -8.834 500 HD12 ILE 90 HD12 ILE 90 -2.825 1.065 -9.548 501 HD13 ILE 90 HD13 ILE 90 -2.563 2.784 -9.834 502 H VAL 91 HN VAL 91 1.776 3.421 -8.413 503 HA VAL 91 HA VAL 91 3.838 1.626 -9.061 504 HB VAL 91 HB VAL 91 3.769 4.649 -9.118 505 HG11 VAL 91 HG11 VAL 91 6.079 4.005 -8.999 506 HG12 VAL 91 HG12 VAL 91 5.711 4.470 -10.662 507 HG13 VAL 91 HG13 VAL 91 5.839 2.766 -10.228 508 HG21 VAL 91 HG21 VAL 91 3.224 2.493 -11.125 509 HG22 VAL 91 HG22 VAL 91 3.676 4.121 -11.628 510 HG23 VAL 91 HG23 VAL 91 2.217 3.868 -10.671 511 H GLY 92 HN GLY 92 3.595 4.154 -6.590 512 HA2 GLY 92 HA2 GLY 92 6.204 3.957 -5.575 513 HA3 GLY 92 HA1 GLY 92 4.810 4.562 -4.692 514 H PHE 93 HN PHE 93 3.237 2.220 -4.709 515 HA PHE 93 HA PHE 93 4.341 0.869 -2.483 516 HB2 PHE 93 HB2 PHE 93 1.915 1.051 -2.804 517 HB3 PHE 93 HB1 PHE 93 2.019 0.053 -4.251 518 HD1 PHE 93 HD1 PHE 93 3.087 -0.096 -0.677 519 HD2 PHE 93 HD2 PHE 93 1.432 -2.145 -4.018 520 HE1 PHE 93 HE1 PHE 93 2.800 -2.110 0.703 521 HE2 PHE 93 HE2 PHE 93 1.145 -4.160 -2.642 522 HZ PHE 93 HZ PHE 93 1.830 -4.145 -0.281 523 H ASN 94 HN ASN 94 4.027 -0.012 -5.902 524 HA ASN 94 HA ASN 94 4.983 -2.642 -5.676 525 HB2 ASN 94 HB2 ASN 94 3.843 -1.532 -7.674 526 HB3 ASN 94 HB1 ASN 94 5.425 -0.869 -8.070 527 HD21 ASN 94 HD21 ASN 94 5.683 -1.975 -9.971 528 HD22 ASN 94 HD22 ASN 94 5.899 -3.687 -10.043 529 H ALA 95 HN ALA 95 6.672 0.423 -5.914 530 HA ALA 95 HA ALA 95 9.248 -0.844 -6.287 531 HB1 ALA 95 HB1 ALA 95 8.787 2.059 -5.653 532 HB2 ALA 95 HB2 ALA 95 8.573 1.395 -7.272 533 HB3 ALA 95 HB3 ALA 95 10.152 1.316 -6.491 534 H PHE 96 HN PHE 96 7.301 0.304 -3.682 535 HA PHE 96 HA PHE 96 9.300 0.752 -1.740 536 HB2 PHE 96 HB2 PHE 96 6.527 0.970 -1.875 537 HB3 PHE 96 HB1 PHE 96 6.803 -0.252 -0.641 538 HD1 PHE 96 HD1 PHE 96 8.199 3.060 -1.641 539 HD2 PHE 96 HD2 PHE 96 6.955 0.498 1.522 540 HE1 PHE 96 HE1 PHE 96 8.667 4.846 -0.015 541 HE2 PHE 96 HE2 PHE 96 7.425 2.281 3.157 542 HZ PHE 96 HZ PHE 96 8.282 4.460 2.386 543 H LEU 97 HN LEU 97 7.681 -2.149 -2.837 544 HA LEU 97 HA LEU 97 8.220 -3.860 -0.706 545 HB2 LEU 97 HB2 LEU 97 8.262 -4.667 -3.608 546 HB3 LEU 97 HB1 LEU 97 7.875 -5.676 -2.227 547 HG LEU 97 HG LEU 97 6.206 -3.384 -3.265 548 HD11 LEU 97 HD11 LEU 97 6.153 -5.349 -4.699 549 HD12 LEU 97 HD12 LEU 97 4.616 -5.137 -3.859 550 HD13 LEU 97 HD13 LEU 97 5.762 -6.362 -3.315 551 HD21 LEU 97 HD21 LEU 97 4.533 -4.429 -1.619 552 HD22 LEU 97 HD22 LEU 97 5.810 -3.404 -0.966 553 HD23 LEU 97 HD23 LEU 97 5.946 -5.159 -0.862 554 HA PRO 98 HA PRO 98 12.681 -4.064 -1.195 555 HB2 PRO 98 HB2 PRO 98 13.182 -5.165 1.219 556 HB3 PRO 98 HB1 PRO 98 12.757 -3.455 1.046 557 HG2 PRO 98 HG2 PRO 98 11.101 -5.719 1.971 558 HG3 PRO 98 HG1 PRO 98 11.095 -4.023 2.487 559 HD2 PRO 98 HD2 PRO 98 9.278 -5.174 0.738 560 HD3 PRO 98 HD1 PRO 98 9.576 -3.436 0.919 561 H SER 99 HN SER 99 10.479 -6.658 -0.415 562 HA SER 99 HA SER 99 12.488 -8.698 -0.945 563 HB2 SER 99 HB2 SER 99 9.552 -9.070 -0.315 564 HB3 SER 99 HB1 SER 99 10.832 -10.279 -0.201 565 HG SER 99 HG SER 99 11.723 -8.430 1.299 566 H GLY 100 HN GLY 100 12.930 -8.731 -3.089 567 HA2 GLY 100 HA2 GLY 100 10.811 -9.679 -4.860 568 HA3 GLY 100 HA1 GLY 100 11.586 -8.161 -5.303 569 HA PRO 101 HA PRO 101 14.496 -10.958 -7.250 570 HB2 PRO 101 HB2 PRO 101 15.809 -9.133 -8.718 571 HB3 PRO 101 HB1 PRO 101 14.142 -9.597 -9.117 572 HG2 PRO 101 HG2 PRO 101 15.141 -7.171 -7.709 573 HG3 PRO 101 HG1 PRO 101 13.858 -7.331 -8.927 574 HD2 PRO 101 HD2 PRO 101 13.419 -7.156 -6.209 575 HD3 PRO 101 HD1 PRO 101 12.280 -7.874 -7.363 576 H SER 102 HN SER 102 14.910 -8.941 -4.754 577 HA SER 102 HA SER 102 17.629 -8.335 -4.629 578 HB2 SER 102 HB2 SER 102 16.548 -8.866 -2.016 579 HB3 SER 102 HB1 SER 102 16.884 -7.308 -2.775 580 HG SER 102 HG SER 102 14.696 -7.390 -2.331 581 H SER 103 HN SER 103 19.291 -9.279 -3.346 582 HA SER 103 HA SER 103 19.510 -12.104 -3.692 583 HB2 SER 103 HB2 SER 103 21.302 -9.989 -3.412 584 HB3 SER 103 HB1 SER 103 21.521 -10.934 -1.938 585 HG SER 103 HG SER 103 22.405 -11.467 -4.388 586 H GLY 104 HN GLY 104 18.941 -13.661 -2.319 587 HA2 GLY 104 HA2 GLY 104 19.162 -14.447 0.033 588 HA3 GLY 104 HA1 GLY 104 18.472 -12.903 0.502 Start of MODEL 10 1 H1 GLY 25 HN GLY 25 12.137 21.154 -4.245 2 HA2 GLY 25 HA2 GLY 25 12.020 22.501 -6.550 3 HA3 GLY 25 HA1 GLY 25 13.395 21.448 -6.850 4 H SER 26 HN SER 26 12.388 19.209 -5.354 5 HA SER 26 HA SER 26 9.866 18.487 -6.619 6 HB2 SER 26 HB2 SER 26 11.793 16.339 -7.017 7 HB3 SER 26 HB1 SER 26 10.667 17.063 -8.165 8 HG SER 26 HG SER 26 12.870 17.360 -8.768 9 H SER 27 HN SER 27 8.752 16.920 -5.462 10 HA SER 27 HA SER 27 9.674 16.450 -2.788 11 HB2 SER 27 HB2 SER 27 7.265 15.312 -4.234 12 HB3 SER 27 HB1 SER 27 7.537 15.289 -2.491 13 HG SER 27 HG SER 27 7.523 17.720 -3.933 14 H GLY 28 HN GLY 28 10.258 14.494 -1.849 15 HA2 GLY 28 HA2 GLY 28 10.179 11.959 -2.614 16 HA3 GLY 28 HA1 GLY 28 11.405 12.570 -3.716 17 H SER 29 HN SER 29 11.658 10.572 -1.626 18 HA SER 29 HA SER 29 13.998 11.683 -0.334 19 HB2 SER 29 HB2 SER 29 11.635 10.639 1.244 20 HB3 SER 29 HB1 SER 29 13.259 10.777 1.923 21 HG SER 29 HG SER 29 12.155 13.014 0.650 22 H SER 30 HN SER 30 15.044 10.211 -1.724 23 HA SER 30 HA SER 30 14.500 7.447 -1.785 24 HB2 SER 30 HB2 SER 30 17.203 8.653 -2.345 25 HB3 SER 30 HB1 SER 30 16.434 7.268 -3.122 26 HG SER 30 HG SER 30 15.075 8.626 -4.205 27 H GLY 31 HN GLY 31 15.570 5.707 -0.804 28 HA2 GLY 31 HA2 GLY 31 17.346 4.848 0.602 29 HA3 GLY 31 HA1 GLY 31 17.348 6.388 1.448 30 H VAL 32 HN VAL 32 15.546 3.412 0.935 31 HA VAL 32 HA VAL 32 14.042 3.985 3.403 32 HB VAL 32 HB VAL 32 12.477 2.188 2.687 33 HG11 VAL 32 HG11 VAL 32 11.491 3.482 0.754 34 HG12 VAL 32 HG12 VAL 32 12.901 4.534 0.856 35 HG13 VAL 32 HG13 VAL 32 11.797 4.407 2.223 36 HG21 VAL 32 HG21 VAL 32 14.084 2.245 0.144 37 HG22 VAL 32 HG22 VAL 32 12.547 1.408 0.357 38 HG23 VAL 32 HG23 VAL 32 13.967 0.899 1.275 39 H HIS 33 HN HIS 33 13.740 2.223 4.911 40 HA HIS 33 HA HIS 33 16.097 0.476 4.991 41 HB2 HIS 33 HB2 HIS 33 14.280 1.514 7.173 42 HB3 HIS 33 HB1 HIS 33 15.436 0.212 7.446 43 HD2 HIS 33 HD2 HIS 33 17.939 1.576 5.776 44 HE1 HIS 33 HE1 HIS 33 17.456 4.655 8.629 45 HE2 HIS 33 HE2 HIS 33 19.026 3.632 6.921 46 H VAL 34 HN VAL 34 15.452 -1.565 6.510 47 HA VAL 34 HA VAL 34 13.848 -3.205 4.870 48 HB VAL 34 HB VAL 34 14.017 -4.860 6.809 49 HG11 VAL 34 HG11 VAL 34 15.501 -4.929 4.900 50 HG12 VAL 34 HG12 VAL 34 16.384 -5.302 6.378 51 HG13 VAL 34 HG13 VAL 34 16.543 -3.710 5.636 52 HG21 VAL 34 HG21 VAL 34 14.329 -3.408 8.676 53 HG22 VAL 34 HG22 VAL 34 15.702 -2.608 7.913 54 HG23 VAL 34 HG23 VAL 34 15.842 -4.282 8.450 55 H GLU 35 HN GLU 35 13.105 -1.268 7.643 56 HA GLU 35 HA GLU 35 10.447 -2.468 7.847 57 HB2 GLU 35 HB2 GLU 35 11.860 -0.472 9.617 58 HB3 GLU 35 HB1 GLU 35 10.236 -1.083 9.896 59 HG2 GLU 35 HG2 GLU 35 11.079 -3.324 10.206 60 HG3 GLU 35 HG1 GLU 35 12.708 -2.796 9.792 61 H ASP 36 HN ASP 36 9.417 -1.647 6.059 62 HA ASP 36 HA ASP 36 9.216 1.286 5.851 63 HB2 ASP 36 HB2 ASP 36 8.622 0.988 3.555 64 HB3 ASP 36 HB1 ASP 36 9.991 -0.083 3.847 65 H ALA 37 HN ALA 37 7.588 -1.450 6.887 66 HA ALA 37 HA ALA 37 4.942 -1.082 6.228 67 HB1 ALA 37 HB1 ALA 37 6.224 -2.185 8.708 68 HB2 ALA 37 HB2 ALA 37 5.568 -3.072 7.331 69 HB3 ALA 37 HB3 ALA 37 4.485 -2.227 8.439 70 H LEU 38 HN LEU 38 6.629 0.237 9.061 71 HA LEU 38 HA LEU 38 4.376 1.640 10.062 72 HB2 LEU 38 HB2 LEU 38 5.904 2.616 11.648 73 HB3 LEU 38 HB1 LEU 38 6.266 0.912 11.458 74 HG LEU 38 HG LEU 38 7.866 2.426 9.628 75 HD11 LEU 38 HD11 LEU 38 7.545 4.278 11.184 76 HD12 LEU 38 HD12 LEU 38 9.205 3.684 11.235 77 HD13 LEU 38 HD13 LEU 38 8.073 3.254 12.516 78 HD21 LEU 38 HD21 LEU 38 8.309 0.159 10.517 79 HD22 LEU 38 HD22 LEU 38 8.638 0.880 12.092 80 HD23 LEU 38 HD23 LEU 38 9.669 1.262 10.714 81 H THR 39 HN THR 39 6.397 2.299 7.450 82 HA THR 39 HA THR 39 6.234 5.184 7.690 83 HB THR 39 HB THR 39 7.179 3.865 5.192 84 HG1 THR 39 HG1 THR 39 9.085 3.225 6.126 85 HG21 THR 39 HG21 THR 39 8.369 6.089 6.847 86 HG22 THR 39 HG22 THR 39 7.204 6.338 5.547 87 HG23 THR 39 HG23 THR 39 8.787 5.647 5.193 88 H TYR 40 HN TYR 40 5.280 2.769 5.247 89 HA TYR 40 HA TYR 40 3.726 4.608 3.757 90 HB2 TYR 40 HB2 TYR 40 4.752 2.150 3.265 91 HB3 TYR 40 HB1 TYR 40 3.047 1.763 3.475 92 HD1 TYR 40 HD1 TYR 40 2.048 1.460 1.417 93 HD2 TYR 40 HD2 TYR 40 4.842 4.633 1.894 94 HE1 TYR 40 HE1 TYR 40 1.597 2.196 -0.888 95 HE2 TYR 40 HE2 TYR 40 4.398 5.375 -0.403 96 HH TYR 40 HH TYR 40 1.763 4.181 -2.237 97 H LEU 41 HN LEU 41 2.903 2.460 6.409 98 HA LEU 41 HA LEU 41 0.142 2.315 6.066 99 HB2 LEU 41 HB2 LEU 41 1.974 1.562 8.033 100 HB3 LEU 41 HB1 LEU 41 0.851 2.619 8.861 101 HG LEU 41 HG LEU 41 0.107 0.354 9.132 102 HD11 LEU 41 HD11 LEU 41 -2.125 0.466 8.247 103 HD12 LEU 41 HD12 LEU 41 -1.631 1.664 7.051 104 HD13 LEU 41 HD13 LEU 41 -1.625 2.077 8.767 105 HD21 LEU 41 HD21 LEU 41 1.248 -0.647 7.239 106 HD22 LEU 41 HD22 LEU 41 0.149 0.170 6.127 107 HD23 LEU 41 HD23 LEU 41 -0.463 -1.062 7.229 108 H ASP 42 HN ASP 42 2.084 4.868 7.556 109 HA ASP 42 HA ASP 42 -0.224 6.354 8.418 110 HB2 ASP 42 HB2 ASP 42 2.225 6.343 9.369 111 HB3 ASP 42 HB1 ASP 42 2.480 7.590 8.153 112 H GLN 43 HN GLN 43 1.982 6.390 5.697 113 HA GLN 43 HA GLN 43 1.324 8.854 4.574 114 HB2 GLN 43 HB2 GLN 43 2.203 6.272 3.291 115 HB3 GLN 43 HB1 GLN 43 2.047 7.783 2.406 116 HG2 GLN 43 HG2 GLN 43 3.762 7.548 4.851 117 HG3 GLN 43 HG1 GLN 43 4.358 7.158 3.239 118 HE21 GLN 43 HE21 GLN 43 4.750 8.770 1.799 119 HE22 GLN 43 HE22 GLN 43 4.728 10.446 2.220 120 H VAL 44 HN VAL 44 -0.262 5.707 4.234 121 HA VAL 44 HA VAL 44 -2.097 6.490 2.229 122 HB VAL 44 HB VAL 44 -2.530 4.349 4.323 123 HG11 VAL 44 HG11 VAL 44 -3.686 4.745 1.564 124 HG12 VAL 44 HG12 VAL 44 -4.547 4.852 3.100 125 HG13 VAL 44 HG13 VAL 44 -3.912 3.301 2.550 126 HG21 VAL 44 HG21 VAL 44 -1.097 4.185 1.673 127 HG22 VAL 44 HG22 VAL 44 -1.567 2.792 2.648 128 HG23 VAL 44 HG23 VAL 44 -0.397 3.953 3.275 129 H LYS 45 HN LYS 45 -2.141 6.642 5.733 130 HA LYS 45 HA LYS 45 -4.866 7.394 6.023 131 HB2 LYS 45 HB2 LYS 45 -3.455 6.420 7.831 132 HB3 LYS 45 HB1 LYS 45 -2.543 7.920 7.892 133 HG2 LYS 45 HG2 LYS 45 -4.510 9.130 8.600 134 HG3 LYS 45 HG1 LYS 45 -5.490 7.669 8.446 135 HD2 LYS 45 HD2 LYS 45 -5.018 7.270 10.598 136 HD3 LYS 45 HD1 LYS 45 -3.379 6.891 10.064 137 HE2 LYS 45 HE2 LYS 45 -4.363 9.612 10.918 138 HE3 LYS 45 HE1 LYS 45 -3.407 8.509 11.905 139 HZ1 LYS 45 HZ1 LYS 45 -1.965 10.131 10.937 140 HZ2 LYS 45 HZ2 LYS 45 -2.560 9.836 9.388 141 HZ3 LYS 45 HZ3 LYS 45 -1.641 8.651 10.178 142 H ILE 46 HN ILE 46 -1.874 9.137 5.512 143 HA ILE 46 HA ILE 46 -2.941 11.739 6.034 144 HB ILE 46 HB ILE 46 -0.469 10.967 4.463 145 HG12 ILE 46 HG12 ILE 46 -0.617 11.950 7.312 146 HG13 ILE 46 HG11 ILE 46 -0.651 10.236 6.913 147 HG21 ILE 46 HG21 ILE 46 -1.358 13.269 4.041 148 HG22 ILE 46 HG22 ILE 46 0.260 13.230 4.744 149 HG23 ILE 46 HG23 ILE 46 -1.133 13.609 5.755 150 HD11 ILE 46 HD11 ILE 46 1.529 10.523 5.779 151 HD12 ILE 46 HD12 ILE 46 1.570 10.851 7.509 152 HD13 ILE 46 HD13 ILE 46 1.565 12.187 6.358 153 H ARG 47 HN ARG 47 -2.342 9.810 3.136 154 HA ARG 47 HA ARG 47 -3.105 11.779 1.265 155 HB2 ARG 47 HB2 ARG 47 -2.638 8.850 1.213 156 HB3 ARG 47 HB1 ARG 47 -3.574 9.531 -0.112 157 HG2 ARG 47 HG2 ARG 47 -0.912 10.647 0.706 158 HG3 ARG 47 HG1 ARG 47 -1.073 9.326 -0.456 159 HD2 ARG 47 HD2 ARG 47 -2.307 10.682 -1.959 160 HD3 ARG 47 HD1 ARG 47 -2.527 11.941 -0.745 161 HE ARG 47 HE ARG 47 0.145 11.851 -0.989 162 HH11 ARG 47 HH11 ARG 47 -1.486 12.934 -4.501 163 HH12 ARG 47 HH12 ARG 47 -2.428 12.042 -3.353 164 HH21 ARG 47 HH21 ARG 47 1.395 13.043 -2.512 165 HH22 ARG 47 HH22 ARG 47 0.679 13.495 -4.028 166 H PHE 48 HN PHE 48 -4.909 9.190 2.859 167 HA PHE 48 HA PHE 48 -7.362 10.276 1.663 168 HB2 PHE 48 HB2 PHE 48 -6.769 7.548 2.803 169 HB3 PHE 48 HB1 PHE 48 -8.390 8.085 2.362 170 HD1 PHE 48 HD1 PHE 48 -8.796 8.801 -0.036 171 HD2 PHE 48 HD2 PHE 48 -5.326 6.677 1.202 172 HE1 PHE 48 HE1 PHE 48 -8.381 8.140 -2.368 173 HE2 PHE 48 HE2 PHE 48 -4.902 6.009 -1.125 174 HZ PHE 48 HZ PHE 48 -6.424 6.743 -2.916 175 H GLY 49 HN GLY 49 -6.684 11.933 3.443 176 HA2 GLY 49 HA2 GLY 49 -7.461 11.215 6.129 177 HA3 GLY 49 HA1 GLY 49 -7.022 12.817 5.557 178 H SER 50 HN SER 50 -8.839 13.145 3.500 179 HA SER 50 HA SER 50 -11.239 13.676 5.030 180 HB2 SER 50 HB2 SER 50 -10.571 14.319 2.147 181 HB3 SER 50 HB1 SER 50 -11.946 14.950 3.052 182 HG SER 50 HG SER 50 -9.187 15.492 3.394 183 H ASP 51 HN ASP 51 -10.094 11.188 3.092 184 HA ASP 51 HA ASP 51 -12.832 10.277 2.494 185 HB2 ASP 51 HB2 ASP 51 -11.337 10.656 0.509 186 HB3 ASP 51 HB1 ASP 51 -10.294 9.377 1.124 187 HA PRO 52 HA PRO 52 -11.402 7.315 5.652 188 HB2 PRO 52 HB2 PRO 52 -13.836 6.881 6.749 189 HB3 PRO 52 HB1 PRO 52 -12.854 8.299 7.157 190 HG2 PRO 52 HG2 PRO 52 -15.191 8.095 5.332 191 HG3 PRO 52 HG1 PRO 52 -14.754 9.382 6.471 192 HD2 PRO 52 HD2 PRO 52 -14.303 9.507 3.772 193 HD3 PRO 52 HD1 PRO 52 -13.367 10.402 4.985 194 H ALA 53 HN ALA 53 -13.650 7.198 3.085 195 HA ALA 53 HA ALA 53 -14.584 4.552 3.289 196 HB1 ALA 53 HB1 ALA 53 -15.636 6.278 1.894 197 HB2 ALA 53 HB2 ALA 53 -15.285 4.805 0.992 198 HB3 ALA 53 HB3 ALA 53 -14.252 6.221 0.802 199 H THR 54 HN THR 54 -11.993 5.914 1.241 200 HA THR 54 HA THR 54 -11.120 3.414 0.244 201 HB THR 54 HB THR 54 -9.400 5.879 0.493 202 HG1 THR 54 HG1 THR 54 -11.340 6.559 -0.420 203 HG21 THR 54 HG21 THR 54 -8.331 5.060 -1.505 204 HG22 THR 54 HG22 THR 54 -9.517 3.767 -1.665 205 HG23 THR 54 HG23 THR 54 -8.371 3.747 -0.327 206 H TYR 55 HN TYR 55 -10.260 5.284 3.086 207 HA TYR 55 HA TYR 55 -7.912 3.864 3.758 208 HB2 TYR 55 HB2 TYR 55 -8.560 6.086 4.705 209 HB3 TYR 55 HB1 TYR 55 -9.804 5.277 5.654 210 HD1 TYR 55 HD1 TYR 55 -6.131 5.083 4.999 211 HD2 TYR 55 HD2 TYR 55 -9.286 4.639 7.817 212 HE1 TYR 55 HE1 TYR 55 -4.482 4.636 6.770 213 HE2 TYR 55 HE2 TYR 55 -7.651 4.196 9.594 214 HH TYR 55 HH TYR 55 -5.426 3.527 9.926 215 H ASN 56 HN ASN 56 -11.304 3.457 4.726 216 HA ASN 56 HA ASN 56 -10.884 1.305 6.500 217 HB2 ASN 56 HB2 ASN 56 -13.227 2.465 5.092 218 HB3 ASN 56 HB1 ASN 56 -13.399 0.833 5.732 219 HD21 ASN 56 HD21 ASN 56 -14.641 3.385 6.519 220 HD22 ASN 56 HD22 ASN 56 -14.293 3.576 8.203 221 H GLY 57 HN GLY 57 -11.616 1.433 3.044 222 HA2 GLY 57 HA2 GLY 57 -11.937 -1.321 2.601 223 HA3 GLY 57 HA1 GLY 57 -11.451 -0.149 1.383 224 H PHE 58 HN PHE 58 -9.053 0.706 2.587 225 HA PHE 58 HA PHE 58 -7.208 -1.139 1.616 226 HB2 PHE 58 HB2 PHE 58 -6.605 1.162 1.833 227 HB3 PHE 58 HB1 PHE 58 -6.959 1.159 3.555 228 HD1 PHE 58 HD1 PHE 58 -5.227 0.925 5.063 229 HD2 PHE 58 HD2 PHE 58 -4.682 -0.434 1.064 230 HE1 PHE 58 HE1 PHE 58 -2.858 0.459 5.550 231 HE2 PHE 58 HE2 PHE 58 -2.319 -0.901 1.547 232 HZ PHE 58 HZ PHE 58 -1.400 -0.455 3.788 233 H LEU 59 HN LEU 59 -8.409 -0.598 4.885 234 HA LEU 59 HA LEU 59 -6.684 -2.486 6.144 235 HB2 LEU 59 HB2 LEU 59 -9.322 -1.340 7.083 236 HB3 LEU 59 HB1 LEU 59 -8.186 -2.224 8.083 237 HG LEU 59 HG LEU 59 -7.411 0.326 6.694 238 HD11 LEU 59 HD11 LEU 59 -9.387 0.763 8.079 239 HD12 LEU 59 HD12 LEU 59 -7.939 1.524 8.737 240 HD13 LEU 59 HD13 LEU 59 -8.565 0.044 9.467 241 HD21 LEU 59 HD21 LEU 59 -5.780 0.385 8.588 242 HD22 LEU 59 HD22 LEU 59 -5.549 -0.950 7.462 243 HD23 LEU 59 HD23 LEU 59 -6.313 -1.239 9.024 244 H GLU 60 HN GLU 60 -9.810 -2.690 4.588 245 HA GLU 60 HA GLU 60 -10.589 -5.212 5.642 246 HB2 GLU 60 HB2 GLU 60 -11.411 -3.775 3.113 247 HB3 GLU 60 HB1 GLU 60 -12.144 -5.274 3.674 248 HG2 GLU 60 HG2 GLU 60 -12.107 -2.688 5.216 249 HG3 GLU 60 HG1 GLU 60 -13.454 -3.275 4.245 250 H ILE 61 HN ILE 61 -8.800 -4.208 2.789 251 HA ILE 61 HA ILE 61 -8.633 -6.772 1.583 252 HB ILE 61 HB ILE 61 -6.761 -4.410 1.261 253 HG12 ILE 61 HG12 ILE 61 -9.014 -5.179 -0.592 254 HG13 ILE 61 HG11 ILE 61 -9.292 -4.122 0.792 255 HG21 ILE 61 HG21 ILE 61 -5.640 -6.230 0.342 256 HG22 ILE 61 HG22 ILE 61 -6.467 -5.515 -1.041 257 HG23 ILE 61 HG23 ILE 61 -7.123 -6.962 -0.273 258 HD11 ILE 61 HD11 ILE 61 -7.267 -3.564 -1.366 259 HD12 ILE 61 HD12 ILE 61 -7.805 -2.482 -0.083 260 HD13 ILE 61 HD13 ILE 61 -8.921 -2.944 -1.364 261 H MET 62 HN MET 62 -6.770 -5.142 4.047 262 HA MET 62 HA MET 62 -4.491 -6.805 3.986 263 HB2 MET 62 HB2 MET 62 -5.697 -5.123 6.172 264 HB3 MET 62 HB1 MET 62 -4.198 -6.017 6.380 265 HG2 MET 62 HG2 MET 62 -4.734 -3.775 4.447 266 HG3 MET 62 HG1 MET 62 -3.663 -3.755 5.844 267 HE1 MET 62 HE1 MET 62 -4.243 -5.459 2.281 268 HE2 MET 62 HE2 MET 62 -2.678 -4.977 1.628 269 HE3 MET 62 HE3 MET 62 -3.786 -3.753 2.238 270 H LYS 63 HN LYS 63 -7.664 -7.190 5.349 271 HA LYS 63 HA LYS 63 -7.110 -9.218 7.213 272 HB2 LYS 63 HB2 LYS 63 -9.617 -8.611 5.644 273 HB3 LYS 63 HB1 LYS 63 -9.536 -9.813 6.924 274 HG2 LYS 63 HG2 LYS 63 -8.982 -8.093 8.534 275 HG3 LYS 63 HG1 LYS 63 -8.968 -6.873 7.263 276 HD2 LYS 63 HD2 LYS 63 -11.315 -7.149 6.876 277 HD3 LYS 63 HD1 LYS 63 -11.376 -8.546 7.948 278 HE2 LYS 63 HE2 LYS 63 -10.997 -7.200 9.864 279 HE3 LYS 63 HE1 LYS 63 -10.569 -5.806 8.872 280 HZ1 LYS 63 HZ1 LYS 63 -12.790 -5.533 8.188 281 HZ2 LYS 63 HZ2 LYS 63 -12.861 -5.788 9.863 282 HZ3 LYS 63 HZ3 LYS 63 -13.259 -7.044 8.802 283 H GLU 64 HN GLU 64 -7.900 -9.290 3.782 284 HA GLU 64 HA GLU 64 -8.093 -12.099 3.516 285 HB2 GLU 64 HB2 GLU 64 -7.291 -10.099 1.391 286 HB3 GLU 64 HB1 GLU 64 -7.904 -11.722 1.122 287 HG2 GLU 64 HG2 GLU 64 -9.977 -10.893 2.414 288 HG3 GLU 64 HG1 GLU 64 -9.360 -9.286 2.038 289 H PHE 65 HN PHE 65 -5.411 -9.833 3.132 290 HA PHE 65 HA PHE 65 -3.532 -11.725 2.208 291 HB2 PHE 65 HB2 PHE 65 -3.272 -9.241 2.028 292 HB3 PHE 65 HB1 PHE 65 -2.933 -9.203 3.757 293 HD1 PHE 65 HD1 PHE 65 -0.753 -9.366 4.478 294 HD2 PHE 65 HD2 PHE 65 -1.781 -10.851 0.629 295 HE1 PHE 65 HE1 PHE 65 1.627 -9.834 4.027 296 HE2 PHE 65 HE2 PHE 65 0.588 -11.319 0.162 297 HZ PHE 65 HZ PHE 65 2.300 -10.817 1.874 298 H LYS 66 HN LYS 66 -4.339 -10.561 5.456 299 HA LYS 66 HA LYS 66 -2.314 -12.029 6.792 300 HB2 LYS 66 HB2 LYS 66 -4.880 -10.761 7.750 301 HB3 LYS 66 HB1 LYS 66 -3.798 -11.630 8.836 302 HG2 LYS 66 HG2 LYS 66 -1.976 -10.068 8.052 303 HG3 LYS 66 HG1 LYS 66 -3.250 -9.121 7.277 304 HD2 LYS 66 HD2 LYS 66 -2.851 -8.141 9.407 305 HD3 LYS 66 HD1 LYS 66 -4.387 -9.006 9.517 306 HE2 LYS 66 HE2 LYS 66 -3.269 -10.867 10.623 307 HE3 LYS 66 HE1 LYS 66 -1.716 -10.059 10.451 308 HZ1 LYS 66 HZ1 LYS 66 -2.513 -8.280 11.874 309 HZ2 LYS 66 HZ2 LYS 66 -2.611 -9.772 12.665 310 HZ3 LYS 66 HZ3 LYS 66 -4.006 -9.054 12.044 311 H SER 67 HN SER 67 -5.299 -12.942 5.429 312 HA SER 67 HA SER 67 -5.462 -15.396 7.011 313 HB2 SER 67 HB2 SER 67 -7.294 -14.387 4.827 314 HB3 SER 67 HB1 SER 67 -7.599 -15.757 5.890 315 HG SER 67 HG SER 67 -7.405 -13.021 6.602 316 H GLN 68 HN GLN 68 -3.722 -14.378 4.498 317 HA GLN 68 HA GLN 68 -2.514 -15.365 2.854 318 HB2 GLN 68 HB2 GLN 68 -3.514 -17.972 4.006 319 HB3 GLN 68 HB1 GLN 68 -2.168 -17.776 2.892 320 HG2 GLN 68 HG2 GLN 68 -0.924 -16.555 4.577 321 HG3 GLN 68 HG1 GLN 68 -2.292 -16.669 5.687 322 HE21 GLN 68 HE21 GLN 68 -2.870 -18.727 6.498 323 HE22 GLN 68 HE22 GLN 68 -1.706 -20.002 6.593 324 H SER 69 HN SER 69 -5.442 -14.771 2.599 325 HA SER 69 HA SER 69 -6.456 -16.709 0.748 326 HB2 SER 69 HB2 SER 69 -7.467 -13.902 1.255 327 HB3 SER 69 HB1 SER 69 -8.373 -15.248 0.561 328 HG SER 69 HG SER 69 -8.239 -16.309 2.555 329 H ILE 70 HN ILE 70 -4.644 -13.739 0.567 330 HA ILE 70 HA ILE 70 -4.586 -14.035 -2.359 331 HB ILE 70 HB ILE 70 -4.364 -11.565 -2.554 332 HG12 ILE 70 HG12 ILE 70 -5.306 -11.532 0.318 333 HG13 ILE 70 HG11 ILE 70 -3.664 -11.174 -0.196 334 HG21 ILE 70 HG21 ILE 70 -6.459 -12.516 -3.096 335 HG22 ILE 70 HG22 ILE 70 -6.788 -11.092 -2.113 336 HG23 ILE 70 HG23 ILE 70 -6.897 -12.698 -1.396 337 HD11 ILE 70 HD11 ILE 70 -4.421 -9.257 -1.437 338 HD12 ILE 70 HD12 ILE 70 -4.973 -9.159 0.236 339 HD13 ILE 70 HD13 ILE 70 -6.099 -9.631 -1.038 340 H ASP 71 HN ASP 71 -2.658 -13.360 -3.380 341 HA ASP 71 HA ASP 71 -0.307 -13.481 -1.613 342 HB2 ASP 71 HB2 ASP 71 -0.632 -14.130 -4.555 343 HB3 ASP 71 HB1 ASP 71 0.916 -14.116 -3.724 344 H THR 72 HN THR 72 1.607 -12.523 -3.394 345 HA THR 72 HA THR 72 1.539 -9.783 -2.981 346 HB THR 72 HB THR 72 3.072 -11.167 -5.182 347 HG1 THR 72 HG1 THR 72 3.509 -12.183 -3.222 348 HG21 THR 72 HG21 THR 72 4.586 -9.334 -5.081 349 HG22 THR 72 HG22 THR 72 3.824 -8.694 -3.627 350 HG23 THR 72 HG23 THR 72 2.973 -8.632 -5.172 351 HA PRO 73 HA PRO 73 0.076 -9.068 -7.543 352 HB2 PRO 73 HB2 PRO 73 -1.082 -11.186 -8.834 353 HB3 PRO 73 HB1 PRO 73 0.638 -10.776 -8.988 354 HG2 PRO 73 HG2 PRO 73 -0.655 -12.847 -7.288 355 HG3 PRO 73 HG1 PRO 73 0.835 -12.945 -8.247 356 HD2 PRO 73 HD2 PRO 73 0.895 -12.571 -5.586 357 HD3 PRO 73 HD1 PRO 73 2.098 -11.842 -6.668 358 H GLY 74 HN GLY 74 -1.519 -11.204 -5.343 359 HA2 GLY 74 HA2 GLY 74 -4.201 -10.773 -6.119 360 HA3 GLY 74 HA1 GLY 74 -3.658 -11.309 -4.535 361 H VAL 75 HN VAL 75 -2.200 -9.202 -3.627 362 HA VAL 75 HA VAL 75 -4.272 -7.353 -2.946 363 HB VAL 75 HB VAL 75 -2.466 -8.002 -1.349 364 HG11 VAL 75 HG11 VAL 75 -0.535 -7.964 -2.786 365 HG12 VAL 75 HG12 VAL 75 -0.308 -6.791 -1.489 366 HG13 VAL 75 HG13 VAL 75 -0.756 -6.243 -3.105 367 HG21 VAL 75 HG21 VAL 75 -2.797 -5.058 -1.919 368 HG22 VAL 75 HG22 VAL 75 -2.205 -5.742 -0.406 369 HG23 VAL 75 HG23 VAL 75 -3.853 -6.068 -0.935 370 H ILE 76 HN ILE 76 -1.593 -7.383 -5.191 371 HA ILE 76 HA ILE 76 -1.467 -4.651 -5.815 372 HB ILE 76 HB ILE 76 -0.807 -7.120 -7.416 373 HG12 ILE 76 HG12 ILE 76 0.907 -4.898 -6.275 374 HG13 ILE 76 HG11 ILE 76 0.642 -6.457 -5.506 375 HG21 ILE 76 HG21 ILE 76 -1.491 -5.515 -9.075 376 HG22 ILE 76 HG22 ILE 76 0.269 -5.622 -9.082 377 HG23 ILE 76 HG23 ILE 76 -0.526 -4.253 -8.308 378 HD11 ILE 76 HD11 ILE 76 1.978 -6.024 -8.169 379 HD12 ILE 76 HD12 ILE 76 1.743 -7.577 -7.365 380 HD13 ILE 76 HD13 ILE 76 2.794 -6.360 -6.642 381 H ARG 77 HN ARG 77 -3.490 -7.256 -7.069 382 HA ARG 77 HA ARG 77 -4.803 -5.850 -9.102 383 HB2 ARG 77 HB2 ARG 77 -4.878 -8.381 -8.374 384 HB3 ARG 77 HB1 ARG 77 -6.252 -7.857 -7.410 385 HG2 ARG 77 HG2 ARG 77 -7.397 -7.086 -9.395 386 HG3 ARG 77 HG1 ARG 77 -5.995 -7.497 -10.387 387 HD2 ARG 77 HD2 ARG 77 -7.435 -9.310 -10.683 388 HD3 ARG 77 HD1 ARG 77 -6.294 -9.873 -9.462 389 HE ARG 77 HE ARG 77 -8.715 -8.684 -8.416 390 HH11 ARG 77 HH11 ARG 77 -8.218 -12.670 -8.573 391 HH12 ARG 77 HH12 ARG 77 -7.179 -11.634 -9.495 392 HH21 ARG 77 HH21 ARG 77 -10.116 -10.051 -7.213 393 HH22 ARG 77 HH22 ARG 77 -9.888 -11.771 -7.275 394 H ARG 78 HN ARG 78 -5.471 -6.183 -5.654 395 HA ARG 78 HA ARG 78 -7.872 -4.678 -5.614 396 HB2 ARG 78 HB2 ARG 78 -5.854 -5.359 -3.474 397 HB3 ARG 78 HB1 ARG 78 -7.323 -4.460 -3.144 398 HG2 ARG 78 HG2 ARG 78 -7.419 -7.148 -4.454 399 HG3 ARG 78 HG1 ARG 78 -7.335 -6.971 -2.697 400 HD2 ARG 78 HD2 ARG 78 -9.313 -5.230 -3.247 401 HD3 ARG 78 HD1 ARG 78 -9.558 -6.383 -4.563 402 HE ARG 78 HE ARG 78 -9.289 -7.931 -2.318 403 HH11 ARG 78 HH11 ARG 78 -11.425 -5.341 -3.308 404 HH12 ARG 78 HH12 ARG 78 -12.752 -5.900 -2.337 405 HH21 ARG 78 HH21 ARG 78 -12.514 -7.781 -1.036 406 HH22 ARG 78 HH22 ARG 78 -10.998 -8.644 -1.007 407 H VAL 79 HN VAL 79 -4.492 -3.854 -4.956 408 HA VAL 79 HA VAL 79 -4.792 -1.207 -4.159 409 HB VAL 79 HB VAL 79 -2.516 -2.533 -5.652 410 HG11 VAL 79 HG11 VAL 79 -2.566 -0.052 -5.965 411 HG12 VAL 79 HG12 VAL 79 -1.128 -0.670 -5.150 412 HG13 VAL 79 HG13 VAL 79 -2.407 0.102 -4.214 413 HG21 VAL 79 HG21 VAL 79 -1.452 -2.598 -3.474 414 HG22 VAL 79 HG22 VAL 79 -3.014 -3.414 -3.418 415 HG23 VAL 79 HG23 VAL 79 -2.844 -1.791 -2.750 416 H SER 80 HN SER 80 -4.457 -2.546 -7.418 417 HA SER 80 HA SER 80 -4.330 -0.084 -8.771 418 HB2 SER 80 HB2 SER 80 -5.354 -2.717 -9.846 419 HB3 SER 80 HB1 SER 80 -4.759 -1.356 -10.797 420 HG SER 80 HG SER 80 -3.105 -2.501 -8.834 421 H GLN 81 HN GLN 81 -7.042 -1.960 -7.607 422 HA GLN 81 HA GLN 81 -8.945 -0.365 -9.107 423 HB2 GLN 81 HB2 GLN 81 -9.352 -2.565 -7.081 424 HB3 GLN 81 HB1 GLN 81 -10.652 -1.756 -7.943 425 HG2 GLN 81 HG2 GLN 81 -8.459 -3.414 -9.172 426 HG3 GLN 81 HG1 GLN 81 -10.138 -3.897 -8.946 427 HE21 GLN 81 HE21 GLN 81 -7.929 -2.029 -10.820 428 HE22 GLN 81 HE22 GLN 81 -9.029 -1.589 -12.076 429 H LEU 82 HN LEU 82 -7.792 -0.697 -5.797 430 HA LEU 82 HA LEU 82 -9.743 1.049 -4.661 431 HB2 LEU 82 HB2 LEU 82 -8.456 -0.724 -3.429 432 HB3 LEU 82 HB1 LEU 82 -7.043 0.311 -3.547 433 HG LEU 82 HG LEU 82 -8.342 2.068 -2.291 434 HD11 LEU 82 HD11 LEU 82 -10.235 1.169 -0.920 435 HD12 LEU 82 HD12 LEU 82 -10.257 -0.222 -2.003 436 HD13 LEU 82 HD13 LEU 82 -10.581 1.393 -2.633 437 HD21 LEU 82 HD21 LEU 82 -7.994 1.027 -0.123 438 HD22 LEU 82 HD22 LEU 82 -6.658 0.665 -1.217 439 HD23 LEU 82 HD23 LEU 82 -7.887 -0.558 -0.894 440 H PHE 83 HN PHE 83 -6.276 1.457 -5.374 441 HA PHE 83 HA PHE 83 -6.532 4.347 -4.992 442 HB2 PHE 83 HB2 PHE 83 -4.065 2.729 -5.702 443 HB3 PHE 83 HB1 PHE 83 -4.103 4.406 -5.170 444 HD1 PHE 83 HD1 PHE 83 -4.377 4.966 -2.847 445 HD2 PHE 83 HD2 PHE 83 -4.449 0.908 -4.125 446 HE1 PHE 83 HE1 PHE 83 -4.118 4.221 -0.512 447 HE2 PHE 83 HE2 PHE 83 -4.193 0.160 -1.795 448 HZ PHE 83 HZ PHE 83 -4.027 1.823 0.015 449 H HIS 84 HN HIS 84 -7.967 3.261 -7.107 450 HA HIS 84 HA HIS 84 -6.729 3.267 -9.601 451 HB2 HIS 84 HB2 HIS 84 -8.979 3.506 -10.541 452 HB3 HIS 84 HB1 HIS 84 -8.970 2.355 -9.215 453 HD2 HIS 84 HD2 HIS 84 -9.608 4.075 -6.668 454 HE1 HIS 84 HE1 HIS 84 -12.680 5.854 -8.962 455 HE2 HIS 84 HE2 HIS 84 -11.793 5.469 -6.621 456 H GLU 85 HN GLU 85 -7.958 5.967 -7.710 457 HA GLU 85 HA GLU 85 -7.472 7.783 -9.933 458 HB2 GLU 85 HB2 GLU 85 -8.850 8.054 -7.294 459 HB3 GLU 85 HB1 GLU 85 -8.323 9.493 -8.151 460 HG2 GLU 85 HG2 GLU 85 -10.291 7.423 -9.062 461 HG3 GLU 85 HG1 GLU 85 -10.598 9.121 -8.694 462 H HIS 86 HN HIS 86 -5.512 6.382 -7.861 463 HA HIS 86 HA HIS 86 -3.795 8.747 -7.673 464 HB2 HIS 86 HB2 HIS 86 -4.369 6.780 -5.448 465 HB3 HIS 86 HB1 HIS 86 -2.968 7.846 -5.441 466 HD2 HIS 86 HD2 HIS 86 -3.446 10.457 -4.725 467 HE1 HIS 86 HE1 HIS 86 -7.617 9.984 -4.182 468 HE2 HIS 86 HE2 HIS 86 -5.660 11.571 -3.927 469 HA PRO 87 HA PRO 87 -1.790 5.119 -9.850 470 HB2 PRO 87 HB2 PRO 87 -0.638 7.366 -11.401 471 HB3 PRO 87 HB1 PRO 87 -1.423 5.883 -11.975 472 HG2 PRO 87 HG2 PRO 87 -2.641 8.232 -12.166 473 HG3 PRO 87 HG1 PRO 87 -3.533 6.746 -11.788 474 HD2 PRO 87 HD2 PRO 87 -2.688 8.946 -9.955 475 HD3 PRO 87 HD1 PRO 87 -4.203 8.021 -9.987 476 H ASP 88 HN ASP 88 -0.583 8.219 -8.742 477 HA ASP 88 HA ASP 88 2.163 7.697 -8.722 478 HB2 ASP 88 HB2 ASP 88 0.682 9.383 -6.689 479 HB3 ASP 88 HB1 ASP 88 2.366 9.537 -7.174 480 H LEU 89 HN LEU 89 -0.361 6.948 -6.395 481 HA LEU 89 HA LEU 89 1.425 6.025 -4.359 482 HB2 LEU 89 HB2 LEU 89 -1.540 5.690 -4.773 483 HB3 LEU 89 HB1 LEU 89 -0.688 5.079 -3.371 484 HG LEU 89 HG LEU 89 -0.968 7.980 -4.169 485 HD11 LEU 89 HD11 LEU 89 -2.150 6.309 -1.957 486 HD12 LEU 89 HD12 LEU 89 -3.001 7.210 -3.211 487 HD13 LEU 89 HD13 LEU 89 -2.143 8.073 -1.936 488 HD21 LEU 89 HD21 LEU 89 0.529 6.704 -1.883 489 HD22 LEU 89 HD22 LEU 89 0.153 8.422 -1.995 490 HD23 LEU 89 HD23 LEU 89 1.206 7.676 -3.194 491 H ILE 90 HN ILE 90 -0.256 4.547 -7.046 492 HA ILE 90 HA ILE 90 0.110 1.849 -6.228 493 HB ILE 90 HB ILE 90 -0.108 2.767 -9.097 494 HG12 ILE 90 HG12 ILE 90 -2.358 2.282 -7.124 495 HG13 ILE 90 HG11 ILE 90 -1.878 3.853 -7.759 496 HG21 ILE 90 HG21 ILE 90 -1.156 0.603 -9.444 497 HG22 ILE 90 HG22 ILE 90 -1.040 0.246 -7.721 498 HG23 ILE 90 HG23 ILE 90 0.425 0.400 -8.688 499 HD11 ILE 90 HD11 ILE 90 -3.838 3.066 -8.906 500 HD12 ILE 90 HD12 ILE 90 -3.027 1.556 -9.327 501 HD13 ILE 90 HD13 ILE 90 -2.471 3.079 -10.019 502 H VAL 91 HN VAL 91 1.920 4.015 -8.375 503 HA VAL 91 HA VAL 91 3.941 2.131 -9.042 504 HB VAL 91 HB VAL 91 4.222 5.143 -9.102 505 HG11 VAL 91 HG11 VAL 91 6.289 3.883 -9.433 506 HG12 VAL 91 HG12 VAL 91 5.800 4.704 -10.916 507 HG13 VAL 91 HG13 VAL 91 5.527 2.971 -10.737 508 HG21 VAL 91 HG21 VAL 91 2.974 3.299 -11.140 509 HG22 VAL 91 HG22 VAL 91 3.436 4.970 -11.457 510 HG23 VAL 91 HG23 VAL 91 2.185 4.612 -10.266 511 H GLY 92 HN GLY 92 3.548 4.522 -6.491 512 HA2 GLY 92 HA2 GLY 92 6.182 4.569 -5.524 513 HA3 GLY 92 HA1 GLY 92 4.746 4.918 -4.576 514 H PHE 93 HN PHE 93 3.457 2.503 -4.590 515 HA PHE 93 HA PHE 93 4.791 1.103 -2.554 516 HB2 PHE 93 HB2 PHE 93 2.350 1.084 -2.819 517 HB3 PHE 93 HB1 PHE 93 2.512 0.196 -4.329 518 HD1 PHE 93 HD1 PHE 93 3.582 -0.110 -0.756 519 HD2 PHE 93 HD2 PHE 93 2.158 -2.069 -4.259 520 HE1 PHE 93 HE1 PHE 93 3.488 -2.236 0.477 521 HE2 PHE 93 HE2 PHE 93 2.061 -4.203 -3.030 522 HZ PHE 93 HZ PHE 93 2.722 -4.288 -0.659 523 H ASN 94 HN ASN 94 4.738 0.677 -6.015 524 HA ASN 94 HA ASN 94 5.712 -1.950 -6.183 525 HB2 ASN 94 HB2 ASN 94 5.357 0.316 -7.987 526 HB3 ASN 94 HB1 ASN 94 6.757 -0.669 -8.403 527 HD21 ASN 94 HD21 ASN 94 3.302 -0.544 -8.165 528 HD22 ASN 94 HD22 ASN 94 2.990 -2.037 -8.985 529 H ALA 95 HN ALA 95 7.401 1.132 -5.856 530 HA ALA 95 HA ALA 95 9.985 -0.233 -5.975 531 HB1 ALA 95 HB1 ALA 95 9.457 2.727 -5.735 532 HB2 ALA 95 HB2 ALA 95 9.603 1.863 -7.266 533 HB3 ALA 95 HB3 ALA 95 10.972 1.936 -6.159 534 H PHE 96 HN PHE 96 7.736 0.637 -3.682 535 HA PHE 96 HA PHE 96 9.592 1.345 -1.584 536 HB2 PHE 96 HB2 PHE 96 6.850 1.688 -1.992 537 HB3 PHE 96 HB1 PHE 96 6.974 0.566 -0.643 538 HD1 PHE 96 HD1 PHE 96 8.266 3.830 -1.846 539 HD2 PHE 96 HD2 PHE 96 7.323 1.378 1.497 540 HE1 PHE 96 HE1 PHE 96 8.713 5.727 -0.342 541 HE2 PHE 96 HE2 PHE 96 7.761 3.263 3.011 542 HZ PHE 96 HZ PHE 96 8.457 5.445 2.095 543 H LEU 97 HN LEU 97 8.253 -1.497 -2.897 544 HA LEU 97 HA LEU 97 8.175 -3.239 -0.726 545 HB2 LEU 97 HB2 LEU 97 8.864 -3.763 -3.616 546 HB3 LEU 97 HB1 LEU 97 8.555 -5.027 -2.441 547 HG LEU 97 HG LEU 97 6.546 -2.903 -3.172 548 HD11 LEU 97 HD11 LEU 97 7.140 -4.347 -5.103 549 HD12 LEU 97 HD12 LEU 97 5.472 -4.527 -4.565 550 HD13 LEU 97 HD13 LEU 97 6.669 -5.751 -4.144 551 HD21 LEU 97 HD21 LEU 97 4.971 -4.485 -2.138 552 HD22 LEU 97 HD22 LEU 97 6.165 -3.873 -0.995 553 HD23 LEU 97 HD23 LEU 97 6.328 -5.501 -1.658 554 HA PRO 98 HA PRO 98 12.579 -3.449 0.164 555 HB2 PRO 98 HB2 PRO 98 12.364 -4.994 2.387 556 HB3 PRO 98 HB1 PRO 98 11.936 -3.276 2.386 557 HG2 PRO 98 HG2 PRO 98 10.174 -5.651 2.272 558 HG3 PRO 98 HG1 PRO 98 9.953 -4.116 3.132 559 HD2 PRO 98 HD2 PRO 98 8.734 -4.724 0.750 560 HD3 PRO 98 HD1 PRO 98 9.062 -3.079 1.323 561 H SER 99 HN SER 99 10.452 -6.007 -0.645 562 HA SER 99 HA SER 99 12.681 -7.916 -0.797 563 HB2 SER 99 HB2 SER 99 9.752 -8.585 -1.100 564 HB3 SER 99 HB1 SER 99 11.085 -9.672 -0.717 565 HG SER 99 HG SER 99 9.539 -8.214 0.958 566 H GLY 100 HN GLY 100 13.629 -7.896 -2.721 567 HA2 GLY 100 HA2 GLY 100 11.924 -8.070 -5.099 568 HA3 GLY 100 HA1 GLY 100 13.165 -6.826 -5.043 569 HA PRO 101 HA PRO 101 15.241 -10.421 -6.959 570 HB2 PRO 101 HB2 PRO 101 16.878 -8.977 -8.556 571 HB3 PRO 101 HB1 PRO 101 15.195 -9.332 -8.987 572 HG2 PRO 101 HG2 PRO 101 16.361 -6.827 -7.895 573 HG3 PRO 101 HG1 PRO 101 15.099 -7.051 -9.120 574 HD2 PRO 101 HD2 PRO 101 14.577 -6.413 -6.518 575 HD3 PRO 101 HD1 PRO 101 13.440 -7.270 -7.575 576 H SER 102 HN SER 102 16.218 -7.928 -4.931 577 HA SER 102 HA SER 102 19.015 -8.298 -4.898 578 HB2 SER 102 HB2 SER 102 17.461 -7.425 -2.478 579 HB3 SER 102 HB1 SER 102 19.036 -6.873 -3.051 580 HG SER 102 HG SER 102 16.624 -5.854 -3.569 581 H SER 103 HN SER 103 20.306 -9.356 -3.314 582 HA SER 103 HA SER 103 19.585 -11.995 -2.744 583 HB2 SER 103 HB2 SER 103 21.931 -11.067 -2.898 584 HB3 SER 103 HB1 SER 103 21.697 -10.380 -1.293 585 HG SER 103 HG SER 103 22.273 -12.942 -2.037 586 H GLY 104 HN GLY 104 18.451 -12.914 -1.130 587 HA2 GLY 104 HA2 GLY 104 18.306 -12.677 1.460 588 HA3 GLY 104 HA1 GLY 104 17.540 -11.154 1.039
Contact the webmaster for help, if required. Saturday, April 20, 2024 7:28:54 AM GMT (wattos1)