NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
571346 | 2mj3 | 19703 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.857 0.758 -1.161 3 HB2 MET 1 HB2 MET 1 3.181 -1.391 -2.448 4 HB3 MET 1 HB3 MET 1 3.557 -1.474 -0.732 5 HG2 MET 1 HG2 MET 1 0.810 -2.206 -1.541 6 HG3 MET 1 HG3 MET 1 2.105 -3.311 -1.994 7 HE1 MET 1 HE1 MET 1 -0.327 -3.799 -0.507 8 HE2 MET 1 HE2 MET 1 0.205 -4.937 0.731 9 HE3 MET 1 HE3 MET 1 -0.417 -3.353 1.197 10 HA PRO 2 HA PRO 2 -0.988 1.452 -3.695 11 HB2 PRO 2 HB2 PRO 2 -0.593 4.119 -4.008 12 HB3 PRO 2 HB3 PRO 2 -1.450 3.431 -2.623 13 HG2 PRO 2 HG2 PRO 2 1.391 4.354 -2.824 14 HG3 PRO 2 HG3 PRO 2 0.219 4.615 -1.519 15 HD2 PRO 2 HD2 PRO 2 2.151 2.723 -1.386 16 HD3 PRO 2 HD3 PRO 2 0.561 2.519 -0.623 17 H LEU 3 H LEU 3 -0.911 3.109 -5.761 18 HA LEU 3 HA LEU 3 1.556 2.434 -7.224 19 HB2 LEU 3 HB2 LEU 3 -0.105 1.030 -8.113 20 HB3 LEU 3 HB3 LEU 3 -1.313 2.313 -8.095 21 HG LEU 3 HG LEU 3 0.007 3.449 -9.905 22 HD11 LEU 3 HD11 LEU 3 1.300 0.989 -10.752 23 HD12 LEU 3 HD12 LEU 3 1.951 1.615 -9.238 24 HD13 LEU 3 HD13 LEU 3 1.931 2.634 -10.677 25 HD21 LEU 3 HD21 LEU 3 -0.677 0.831 -11.052 26 HD22 LEU 3 HD22 LEU 3 -1.282 2.440 -11.447 27 HD23 LEU 3 HD23 LEU 3 -1.935 1.567 -10.060 28 H ILE 4 H ILE 4 2.428 3.978 -8.554 29 HA ILE 4 HA ILE 4 1.098 6.609 -8.556 30 HB ILE 4 HB ILE 4 4.086 6.221 -8.544 31 HG12 ILE 4 HG12 ILE 4 3.318 5.342 -6.447 32 HG13 ILE 4 HG13 ILE 4 3.950 6.957 -6.144 33 HG21 ILE 4 HG21 ILE 4 2.360 8.629 -7.982 34 HG22 ILE 4 HG22 ILE 4 4.122 8.584 -7.948 35 HG23 ILE 4 HG23 ILE 4 3.262 8.331 -9.467 36 HD11 ILE 4 HD11 ILE 4 1.240 7.319 -6.678 37 HD12 ILE 4 HD12 ILE 4 1.334 5.894 -5.643 38 HD13 ILE 4 HD13 ILE 4 2.050 7.416 -5.114 39 H THR 5 H THR 5 0.896 7.611 -10.470 40 HA THR 5 HA THR 5 1.837 6.202 -12.842 41 HB THR 5 HB THR 5 -0.039 8.559 -12.579 42 HG1 THR 5 HG1 THR 5 -1.197 6.850 -11.927 43 HG21 THR 5 HG21 THR 5 -0.359 7.218 -15.044 44 HG22 THR 5 HG22 THR 5 1.365 7.532 -14.851 45 HG23 THR 5 HG23 THR 5 0.212 8.863 -14.771 46 H PHE 6 H PHE 6 3.764 6.722 -13.630 47 HA PHE 6 HA PHE 6 4.814 9.421 -13.225 48 HB2 PHE 6 HB2 PHE 6 6.212 6.970 -14.316 49 HB3 PHE 6 HB3 PHE 6 6.972 8.495 -13.873 50 HD1 PHE 6 HD1 PHE 6 5.709 9.111 -11.317 51 HD2 PHE 6 HD2 PHE 6 7.074 5.390 -12.869 52 HE1 PHE 6 HE1 PHE 6 6.042 8.280 -9.024 53 HE2 PHE 6 HE2 PHE 6 7.407 4.553 -10.579 54 HZ PHE 6 HZ PHE 6 6.890 5.999 -8.653 55 H ILE 7 H ILE 7 4.503 10.874 -14.765 56 HA ILE 7 HA ILE 7 3.902 10.022 -17.482 57 HB ILE 7 HB ILE 7 3.996 12.851 -16.447 58 HG12 ILE 7 HG12 ILE 7 1.367 12.326 -16.503 59 HG13 ILE 7 HG13 ILE 7 1.955 10.716 -16.104 60 HG21 ILE 7 HG21 ILE 7 3.546 11.703 -19.001 61 HG22 ILE 7 HG22 ILE 7 2.027 12.398 -18.440 62 HG23 ILE 7 HG23 ILE 7 3.474 13.401 -18.531 63 HD11 ILE 7 HD11 ILE 7 1.336 12.452 -14.239 64 HD12 ILE 7 HD12 ILE 7 2.702 11.351 -14.047 65 HD13 ILE 7 HD13 ILE 7 2.978 13.022 -14.539 66 H SER 8 H SER 8 5.128 10.470 -19.267 67 HA SER 8 HA SER 8 7.889 11.300 -18.731 68 HB2 SER 8 HB2 SER 8 6.589 9.540 -20.751 69 HB3 SER 8 HB3 SER 8 8.037 10.414 -21.250 70 HG SER 8 HG SER 8 8.378 8.286 -20.279 71 HA PRO 9 HA PRO 9 7.599 15.088 -20.924 72 HB2 PRO 9 HB2 PRO 9 9.956 15.169 -22.270 73 HB3 PRO 9 HB3 PRO 9 9.841 15.385 -20.519 74 HG2 PRO 9 HG2 PRO 9 10.581 12.941 -22.082 75 HG3 PRO 9 HG3 PRO 9 11.324 13.596 -20.611 76 HD2 PRO 9 HD2 PRO 9 9.586 11.521 -20.565 77 HD3 PRO 9 HD3 PRO 9 9.703 12.698 -19.241 78 H ASP 10 H ASP 10 8.052 12.153 -22.702 79 HA ASP 10 HA ASP 10 7.628 13.390 -25.288 80 HB2 ASP 10 HB2 ASP 10 7.989 10.536 -24.385 81 HB3 ASP 10 HB3 ASP 10 7.577 10.949 -26.047 82 H GLY 11 H GLY 11 5.688 12.410 -22.742 83 HA2 GLY 11 HA2 GLY 11 3.317 12.899 -22.899 84 HA3 GLY 11 HA3 GLY 11 3.354 12.273 -24.541 85 H SER 12 H SER 12 5.226 10.123 -23.198 86 HA SER 12 HA SER 12 3.227 8.121 -23.036 87 HB2 SER 12 HB2 SER 12 6.111 8.022 -22.118 88 HB3 SER 12 HB3 SER 12 5.061 6.627 -22.364 89 HG SER 12 HG SER 12 4.854 7.584 -24.600 90 H ARG 13 H ARG 13 3.735 6.523 -20.939 91 HA ARG 13 HA ARG 13 3.818 7.892 -18.438 92 HB2 ARG 13 HB2 ARG 13 1.476 7.324 -17.764 93 HB3 ARG 13 HB3 ARG 13 1.590 8.583 -18.987 94 HG2 ARG 13 HG2 ARG 13 1.218 6.706 -20.686 95 HG3 ARG 13 HG3 ARG 13 0.702 5.741 -19.301 96 HD2 ARG 13 HD2 ARG 13 -0.483 8.357 -20.221 97 HD3 ARG 13 HD3 ARG 13 -1.220 6.761 -20.360 98 HE ARG 13 HE ARG 13 -0.711 7.132 -17.676 99 HH11 ARG 13 HH11 ARG 13 -2.584 8.714 -20.148 100 HH12 ARG 13 HH12 ARG 13 -3.788 9.295 -19.047 101 HH21 ARG 13 HH21 ARG 13 -2.291 7.891 -16.217 102 HH22 ARG 13 HH22 ARG 13 -3.620 8.827 -16.811 103 H LYS 14 H LYS 14 4.607 6.505 -17.000 104 HA LYS 14 HA LYS 14 4.411 3.633 -17.578 105 HB2 LYS 14 HB2 LYS 14 6.351 5.242 -15.921 106 HB3 LYS 14 HB3 LYS 14 6.294 3.485 -15.874 107 HG2 LYS 14 HG2 LYS 14 6.616 4.931 -18.473 108 HG3 LYS 14 HG3 LYS 14 8.000 4.641 -17.416 109 HD2 LYS 14 HD2 LYS 14 8.106 2.750 -18.686 110 HD3 LYS 14 HD3 LYS 14 7.014 2.179 -17.422 111 HE2 LYS 14 HE2 LYS 14 5.194 2.194 -18.799 112 HE3 LYS 14 HE3 LYS 14 5.812 3.521 -19.782 113 HZ1 LYS 14 HZ1 LYS 14 7.249 2.063 -20.928 114 HZ2 LYS 14 HZ2 LYS 14 5.744 1.294 -20.891 115 HZ3 LYS 14 HZ3 LYS 14 6.973 0.795 -19.842 116 H THR 15 H THR 15 4.084 2.147 -15.800 117 HA THR 15 HA THR 15 2.693 3.311 -13.487 118 HB THR 15 HB THR 15 1.692 0.974 -15.125 119 HG1 THR 15 HG1 THR 15 0.554 3.548 -14.650 120 HG21 THR 15 HG21 THR 15 0.610 2.216 -12.592 121 HG22 THR 15 HG22 THR 15 1.275 0.591 -12.767 122 HG23 THR 15 HG23 THR 15 -0.234 1.018 -13.572 123 H TYR 16 H TYR 16 3.794 2.718 -11.743 124 HA TYR 16 HA TYR 16 4.467 -0.088 -11.364 125 HB2 TYR 16 HB2 TYR 16 6.486 2.131 -11.498 126 HB3 TYR 16 HB3 TYR 16 6.779 0.722 -10.484 127 HD1 TYR 16 HD2 TYR 16 6.276 1.864 -13.957 128 HD2 TYR 16 HD1 TYR 16 7.395 -1.376 -11.437 129 HE1 TYR 16 HE2 TYR 16 7.118 0.639 -15.916 130 HE2 TYR 16 HE1 TYR 16 8.242 -2.610 -13.389 131 HH TYR 16 HH TYR 16 7.466 -2.013 -16.419 132 H GLU 17 H GLU 17 4.114 -0.721 -9.326 133 HA GLU 17 HA GLU 17 2.888 0.966 -7.458 134 HB2 GLU 17 HB2 GLU 17 4.064 -1.786 -7.321 135 HB3 GLU 17 HB3 GLU 17 3.536 -0.992 -5.845 136 HG2 GLU 17 HG2 GLU 17 1.314 -0.994 -6.479 137 HG3 GLU 17 HG3 GLU 17 1.698 -1.169 -8.191 138 H ALA 18 H ALA 18 3.698 2.429 -6.119 139 HA ALA 18 HA ALA 18 6.588 2.444 -5.620 140 HB1 ALA 18 HB1 ALA 18 4.852 4.712 -4.799 141 HB2 ALA 18 HB2 ALA 18 6.497 4.717 -5.435 142 HB3 ALA 18 HB3 ALA 18 5.133 4.455 -6.521 143 H TYR 19 H TYR 19 7.223 3.330 -3.414 144 HA TYR 19 HA TYR 19 5.534 2.080 -1.346 145 HB2 TYR 19 HB2 TYR 19 8.387 1.821 -1.946 146 HB3 TYR 19 HB3 TYR 19 8.064 2.192 -0.256 147 HD1 TYR 19 HD1 TYR 19 7.611 -0.273 -2.936 148 HD2 TYR 19 HD2 TYR 19 6.937 0.600 1.173 149 HE1 TYR 19 HE1 TYR 19 7.071 -2.637 -2.529 150 HE2 TYR 19 HE2 TYR 19 6.396 -1.763 1.592 151 HH TYR 19 HH TYR 19 6.976 -4.011 0.471 152 H ASP 20 H ASP 20 6.449 2.955 0.930 153 HA ASP 20 HA ASP 20 5.884 5.801 0.862 154 HB2 ASP 20 HB2 ASP 20 4.854 4.142 2.513 155 HB3 ASP 20 HB3 ASP 20 6.420 4.139 3.320 156 H GLY 21 H GLY 21 7.487 7.204 0.605 157 HA2 GLY 21 HA2 GLY 21 9.491 8.286 0.917 158 HA3 GLY 21 HA3 GLY 21 9.728 7.279 2.338 159 H GLU 22 H GLU 22 9.165 5.445 -0.439 160 HA GLU 22 HA GLU 22 11.992 4.712 -0.541 161 HB2 GLU 22 HB2 GLU 22 9.985 3.060 -0.317 162 HB3 GLU 22 HB3 GLU 22 9.825 3.295 -2.052 163 HG2 GLU 22 HG2 GLU 22 11.123 1.356 -1.763 164 HG3 GLU 22 HG3 GLU 22 12.240 2.628 -2.256 165 H THR 23 H THR 23 13.276 5.073 -2.255 166 HA THR 23 HA THR 23 12.360 6.852 -4.313 167 HB THR 23 HB THR 23 14.882 5.940 -5.077 168 HG1 THR 23 HG1 THR 23 16.061 5.899 -3.159 169 HG21 THR 23 HG21 THR 23 13.684 8.332 -3.880 170 HG22 THR 23 HG22 THR 23 14.816 8.183 -5.224 171 HG23 THR 23 HG23 THR 23 15.410 8.155 -3.564 172 H LEU 24 H LEU 24 13.226 6.314 -6.641 173 HA LEU 24 HA LEU 24 11.640 4.229 -7.649 174 HB2 LEU 24 HB2 LEU 24 13.384 6.272 -8.688 175 HB3 LEU 24 HB3 LEU 24 13.614 4.759 -9.562 176 HG LEU 24 HG LEU 24 11.214 4.712 -10.085 177 HD11 LEU 24 HD11 LEU 24 10.064 7.021 -9.706 178 HD12 LEU 24 HD12 LEU 24 11.223 7.164 -8.385 179 HD13 LEU 24 HD13 LEU 24 10.083 5.819 -8.415 180 HD21 LEU 24 HD21 LEU 24 12.784 5.741 -11.649 181 HD22 LEU 24 HD22 LEU 24 12.579 7.295 -10.840 182 HD23 LEU 24 HD23 LEU 24 11.219 6.555 -11.685 183 H LEU 25 H LEU 25 14.789 4.215 -6.319 184 HA LEU 25 HA LEU 25 16.085 2.170 -7.634 185 HB2 LEU 25 HB2 LEU 25 16.094 3.168 -4.835 186 HB3 LEU 25 HB3 LEU 25 16.903 1.639 -5.171 187 HG LEU 25 HG LEU 25 18.092 3.058 -7.044 188 HD11 LEU 25 HD11 LEU 25 16.551 5.029 -5.788 189 HD12 LEU 25 HD12 LEU 25 17.828 5.258 -6.982 190 HD13 LEU 25 HD13 LEU 25 18.212 5.302 -5.261 191 HD21 LEU 25 HD21 LEU 25 19.002 3.610 -4.255 192 HD22 LEU 25 HD22 LEU 25 19.942 3.150 -5.675 193 HD23 LEU 25 HD23 LEU 25 18.950 1.949 -4.846 194 H SER 26 H SER 26 13.824 1.878 -4.901 195 HA SER 26 HA SER 26 13.878 -0.871 -4.591 196 HB2 SER 26 HB2 SER 26 12.661 0.141 -2.919 197 HB3 SER 26 HB3 SER 26 11.857 1.251 -4.029 198 HG SER 26 HG SER 26 11.343 -1.535 -3.983 199 H LEU 27 H LEU 27 12.338 1.053 -7.046 200 HA LEU 27 HA LEU 27 10.679 -1.084 -8.033 201 HB2 LEU 27 HB2 LEU 27 11.103 1.744 -8.604 202 HB3 LEU 27 HB3 LEU 27 10.845 0.775 -10.053 203 HG LEU 27 HG LEU 27 8.693 0.063 -9.267 204 HD11 LEU 27 HD11 LEU 27 9.735 0.962 -6.699 205 HD12 LEU 27 HD12 LEU 27 8.478 -0.219 -7.064 206 HD13 LEU 27 HD13 LEU 27 8.085 1.500 -7.013 207 HD21 LEU 27 HD21 LEU 27 7.519 2.198 -9.176 208 HD22 LEU 27 HD22 LEU 27 8.802 2.233 -10.387 209 HD23 LEU 27 HD23 LEU 27 9.036 3.028 -8.829 210 H ALA 28 H ALA 28 13.666 0.525 -9.074 211 HA ALA 28 HA ALA 28 14.083 -0.810 -11.469 212 HB1 ALA 28 HB1 ALA 28 16.427 -0.230 -9.728 213 HB2 ALA 28 HB2 ALA 28 16.196 0.070 -11.451 214 HB3 ALA 28 HB3 ALA 28 15.413 1.111 -10.262 215 H HIS 29 H HIS 29 14.551 -1.903 -8.189 216 HA HIS 29 HA HIS 29 16.122 -4.199 -8.886 217 HB2 HIS 29 HB2 HIS 29 14.873 -3.126 -6.405 218 HB3 HIS 29 HB3 HIS 29 15.245 -4.847 -6.448 219 HD1 HIS 29 HD1 HIS 29 17.031 -1.540 -7.034 220 HD2 HIS 29 HD2 HIS 29 17.801 -5.418 -5.758 221 HE1 HIS 29 HE1 HIS 29 19.439 -1.544 -6.310 222 H ARG 30 H ARG 30 12.731 -3.668 -7.962 223 HA ARG 30 HA ARG 30 11.947 -6.373 -8.159 224 HB2 ARG 30 HB2 ARG 30 10.311 -3.843 -8.407 225 HB3 ARG 30 HB3 ARG 30 9.636 -5.460 -8.250 226 HG2 ARG 30 HG2 ARG 30 11.564 -4.528 -6.189 227 HG3 ARG 30 HG3 ARG 30 9.921 -3.881 -6.169 228 HD2 ARG 30 HD2 ARG 30 9.823 -5.752 -4.771 229 HD3 ARG 30 HD3 ARG 30 9.157 -6.317 -6.302 230 HE ARG 30 HE ARG 30 11.983 -6.783 -6.004 231 HH11 ARG 30 HH11 ARG 30 8.784 -8.024 -5.416 232 HH12 ARG 30 HH12 ARG 30 9.300 -9.676 -5.329 233 HH21 ARG 30 HH21 ARG 30 12.674 -8.953 -5.891 234 HH22 ARG 30 HH22 ARG 30 11.513 -10.203 -5.598 235 H ASN 31 H ASN 31 12.188 -3.779 -10.499 236 HA ASN 31 HA ASN 31 10.848 -5.315 -12.563 237 HB2 ASN 31 HB2 ASN 31 12.346 -2.729 -12.960 238 HB3 ASN 31 HB3 ASN 31 11.029 -3.386 -13.927 239 HD21 ASN 31 HD21 ASN 31 11.226 -0.787 -12.704 240 HD22 ASN 31 HD22 ASN 31 9.892 -0.647 -11.615 241 H ASN 32 H ASN 32 13.731 -5.649 -11.204 242 HA ASN 32 HA ASN 32 15.836 -6.283 -11.865 243 HB2 ASN 32 HB2 ASN 32 15.825 -8.221 -13.330 244 HB3 ASN 32 HB3 ASN 32 14.448 -8.305 -12.235 245 HD21 ASN 32 HD21 ASN 32 12.378 -8.045 -13.037 246 HD22 ASN 32 HD22 ASN 32 12.025 -8.120 -14.727 247 H VAL 33 H VAL 33 15.144 -3.801 -12.982 248 HA VAL 33 HA VAL 33 16.072 -3.914 -15.754 249 HB VAL 33 HB VAL 33 14.088 -2.516 -15.181 250 HG11 VAL 33 HG11 VAL 33 14.104 -0.976 -13.566 251 HG12 VAL 33 HG12 VAL 33 15.629 -1.693 -13.042 252 HG13 VAL 33 HG13 VAL 33 15.635 -0.297 -14.120 253 HG21 VAL 33 HG21 VAL 33 16.411 -0.878 -16.182 254 HG22 VAL 33 HG22 VAL 33 15.573 -2.091 -17.150 255 HG23 VAL 33 HG23 VAL 33 14.703 -0.670 -16.571 256 H ASP 34 H ASP 34 17.842 -2.666 -16.488 257 HA ASP 34 HA ASP 34 20.130 -2.766 -14.892 258 HB2 ASP 34 HB2 ASP 34 20.258 -2.737 -17.324 259 HB3 ASP 34 HB3 ASP 34 19.592 -1.107 -17.364 260 H LEU 35 H LEU 35 20.125 -1.710 -12.980 261 HA LEU 35 HA LEU 35 19.454 1.152 -12.980 262 HB2 LEU 35 HB2 LEU 35 19.045 0.985 -10.657 263 HB3 LEU 35 HB3 LEU 35 18.245 -0.388 -11.419 264 HG LEU 35 HG LEU 35 20.546 -1.569 -10.747 265 HD11 LEU 35 HD11 LEU 35 20.649 -0.527 -8.222 266 HD12 LEU 35 HD12 LEU 35 20.466 0.917 -9.217 267 HD13 LEU 35 HD13 LEU 35 21.803 -0.194 -9.514 268 HD21 LEU 35 HD21 LEU 35 18.244 -2.252 -10.151 269 HD22 LEU 35 HD22 LEU 35 18.282 -1.110 -8.808 270 HD23 LEU 35 HD23 LEU 35 19.396 -2.478 -8.835 271 H GLU 36 H GLU 36 20.757 2.337 -11.145 272 HA GLU 36 HA GLU 36 23.538 1.483 -11.038 273 HB2 GLU 36 HB2 GLU 36 23.349 2.810 -13.119 274 HB3 GLU 36 HB3 GLU 36 22.743 4.167 -12.179 275 HG2 GLU 36 HG2 GLU 36 25.055 4.529 -12.646 276 HG3 GLU 36 HG3 GLU 36 24.874 4.195 -10.925 277 H GLY 37 H GLY 37 24.081 1.638 -8.970 278 HA2 GLY 37 HA2 GLY 37 24.409 3.768 -7.406 279 HA3 GLY 37 HA3 GLY 37 22.680 3.508 -7.231 280 H ALA 38 H ALA 38 22.373 0.864 -7.035 281 HA ALA 38 HA ALA 38 22.506 -0.907 -5.612 282 HB1 ALA 38 HB1 ALA 38 24.912 -0.814 -6.533 283 HB2 ALA 38 HB2 ALA 38 25.329 -0.160 -4.949 284 HB3 ALA 38 HB3 ALA 38 24.600 -1.760 -5.078 285 H CYS 39 H CYS 39 21.280 1.228 -4.542 286 HA CYS 39 HA CYS 39 22.304 1.328 -1.780 287 HB2 CYS 39 HB2 CYS 39 21.070 3.443 -3.499 288 HB3 CYS 39 HB3 CYS 39 20.817 3.504 -1.758 289 HG CYS 39 HG CYS 39 23.024 5.119 -2.977 290 H GLU 40 H GLU 40 21.132 -0.122 -0.681 291 HA GLU 40 HA GLU 40 18.575 -1.022 -1.273 292 HB2 GLU 40 HB2 GLU 40 18.516 -1.934 0.975 293 HB3 GLU 40 HB3 GLU 40 20.120 -2.149 0.287 294 HG2 GLU 40 HG2 GLU 40 20.693 -1.419 2.355 295 HG3 GLU 40 HG3 GLU 40 20.580 0.132 1.524 296 H GLY 41 H GLY 41 19.597 1.868 0.356 297 HA2 GLY 41 HA2 GLY 41 18.366 3.749 0.887 298 HA3 GLY 41 HA3 GLY 41 16.938 2.942 0.256 299 H SER 42 H SER 42 15.425 2.390 1.674 300 HA SER 42 HA SER 42 16.172 1.707 4.410 301 HB2 SER 42 HB2 SER 42 14.621 4.122 3.607 302 HB3 SER 42 HB3 SER 42 14.090 3.251 5.046 303 HG SER 42 HG SER 42 15.683 4.144 6.062 304 H LEU 43 H LEU 43 14.371 0.755 5.627 305 HA LEU 43 HA LEU 43 12.438 -0.552 3.827 306 HB2 LEU 43 HB2 LEU 43 12.460 -2.451 5.335 307 HB3 LEU 43 HB3 LEU 43 14.082 -2.098 4.743 308 HG LEU 43 HG LEU 43 14.261 -0.786 7.025 309 HD11 LEU 43 HD11 LEU 43 11.719 -1.908 7.274 310 HD12 LEU 43 HD12 LEU 43 12.680 -1.142 8.539 311 HD13 LEU 43 HD13 LEU 43 12.766 -2.887 8.302 312 HD21 LEU 43 HD21 LEU 43 14.707 -3.608 6.288 313 HD22 LEU 43 HD22 LEU 43 14.777 -3.232 8.010 314 HD23 LEU 43 HD23 LEU 43 15.841 -2.393 6.880 315 H ALA 44 H ALA 44 12.903 1.232 6.761 316 HA ALA 44 HA ALA 44 9.990 1.190 7.213 317 HB1 ALA 44 HB1 ALA 44 10.950 1.888 9.644 318 HB2 ALA 44 HB2 ALA 44 10.546 0.237 9.172 319 HB3 ALA 44 HB3 ALA 44 12.217 0.794 9.089 320 H CYS 45 H CYS 45 9.483 3.051 6.124 321 HA CYS 45 HA CYS 45 10.759 5.523 7.097 322 HB2 CYS 45 HB2 CYS 45 9.497 5.004 4.396 323 HB3 CYS 45 HB3 CYS 45 10.184 6.536 4.924 324 HG CYS 45 HG CYS 45 11.668 4.104 3.391 325 H SER 46 H SER 46 9.488 6.733 8.320 326 HA SER 46 HA SER 46 6.611 6.822 7.733 327 HB2 SER 46 HB2 SER 46 6.100 6.769 10.138 328 HB3 SER 46 HB3 SER 46 6.937 5.299 9.638 329 HG SER 46 HG SER 46 7.855 7.435 11.204 330 H THR 47 H THR 47 5.550 8.754 8.359 331 HA THR 47 HA THR 47 5.392 11.031 8.389 332 HB THR 47 HB THR 47 6.315 12.127 10.269 333 HG1 THR 47 HG1 THR 47 8.439 11.790 10.336 334 HG21 THR 47 HG21 THR 47 4.984 9.749 10.538 335 HG22 THR 47 HG22 THR 47 5.323 10.876 11.852 336 HG23 THR 47 HG23 THR 47 6.394 9.504 11.569 337 H CYS 48 H CYS 48 7.095 10.003 6.358 338 HA CYS 48 HA CYS 48 9.491 11.577 6.240 339 HB2 CYS 48 HB2 CYS 48 9.735 10.670 3.985 340 HB3 CYS 48 HB3 CYS 48 9.328 9.390 5.121 341 HG CYS 48 HG CYS 48 6.693 10.775 3.571 342 H HIS 49 H HIS 49 9.863 12.923 4.172 343 HA HIS 49 HA HIS 49 8.133 15.155 4.276 344 HB2 HIS 49 HB2 HIS 49 9.554 16.151 2.647 345 HB3 HIS 49 HB3 HIS 49 10.595 15.165 3.669 346 HD1 HIS 49 HD1 HIS 49 9.579 15.671 0.189 347 HD2 HIS 49 HD2 HIS 49 11.420 12.685 2.415 348 HE1 HIS 49 HE1 HIS 49 10.648 14.140 -1.495 349 H VAL 50 H VAL 50 7.740 16.036 1.734 350 HA VAL 50 HA VAL 50 5.943 14.013 0.562 351 HB VAL 50 HB VAL 50 4.477 15.906 -0.144 352 HG11 VAL 50 HG11 VAL 50 3.343 16.098 1.941 353 HG12 VAL 50 HG12 VAL 50 4.085 14.497 1.897 354 HG13 VAL 50 HG13 VAL 50 4.825 15.788 2.845 355 HG21 VAL 50 HG21 VAL 50 5.025 18.040 0.180 356 HG22 VAL 50 HG22 VAL 50 5.402 17.757 1.880 357 HG23 VAL 50 HG23 VAL 50 6.629 17.473 0.645 358 H ILE 51 H ILE 51 5.751 13.966 -1.683 359 HA ILE 51 HA ILE 51 7.473 15.751 -3.236 360 HB ILE 51 HB ILE 51 8.995 14.013 -3.074 361 HG12 ILE 51 HG12 ILE 51 7.335 13.163 -5.455 362 HG13 ILE 51 HG13 ILE 51 8.396 14.567 -5.447 363 HG21 ILE 51 HG21 ILE 51 8.415 11.633 -3.144 364 HG22 ILE 51 HG22 ILE 51 7.580 12.470 -1.837 365 HG23 ILE 51 HG23 ILE 51 6.712 12.058 -3.315 366 HD11 ILE 51 HD11 ILE 51 9.029 11.730 -5.715 367 HD12 ILE 51 HD12 ILE 51 9.912 13.153 -6.269 368 HD13 ILE 51 HD13 ILE 51 10.077 12.607 -4.600 369 H ILE 52 H ILE 52 6.133 16.653 -4.649 370 HA ILE 52 HA ILE 52 4.254 14.912 -6.099 371 HB ILE 52 HB ILE 52 2.870 17.154 -6.250 372 HG12 ILE 52 HG12 ILE 52 2.949 18.410 -4.133 373 HG13 ILE 52 HG13 ILE 52 4.305 17.422 -3.597 374 HG21 ILE 52 HG21 ILE 52 2.906 15.000 -4.212 375 HG22 ILE 52 HG22 ILE 52 1.836 16.373 -3.934 376 HG23 ILE 52 HG23 ILE 52 1.674 15.413 -5.404 377 HD11 ILE 52 HD11 ILE 52 4.654 18.790 -6.179 378 HD12 ILE 52 HD12 ILE 52 4.573 19.822 -4.751 379 HD13 ILE 52 HD13 ILE 52 5.789 18.550 -4.851 380 H ASP 53 H ASP 53 3.583 15.787 -8.207 381 HA ASP 53 HA ASP 53 5.695 16.382 -9.868 382 HB2 ASP 53 HB2 ASP 53 3.803 17.355 -11.397 383 HB3 ASP 53 HB3 ASP 53 3.813 15.639 -10.997 384 HA PRO 54 HA PRO 54 6.646 20.649 -9.523 385 HB2 PRO 54 HB2 PRO 54 7.107 21.354 -12.104 386 HB3 PRO 54 HB3 PRO 54 8.212 20.335 -11.174 387 HG2 PRO 54 HG2 PRO 54 6.134 19.540 -13.176 388 HG3 PRO 54 HG3 PRO 54 7.788 18.931 -12.979 389 HD2 PRO 54 HD2 PRO 54 5.623 17.593 -12.054 390 HD3 PRO 54 HD3 PRO 54 7.201 17.534 -11.243 391 H SER 55 H SER 55 3.905 19.640 -11.297 392 HA SER 55 HA SER 55 2.979 22.270 -12.014 393 HB2 SER 55 HB2 SER 55 1.631 19.562 -12.039 394 HB3 SER 55 HB3 SER 55 0.856 21.045 -12.596 395 HG SER 55 HG SER 55 2.088 19.588 -14.153 396 H TRP 56 H TRP 56 2.655 20.116 -9.312 397 HA TRP 56 HA TRP 56 0.499 21.718 -8.159 398 HB2 TRP 56 HB2 TRP 56 1.753 19.087 -7.389 399 HB3 TRP 56 HB3 TRP 56 0.649 19.944 -6.318 400 HD1 TRP 56 HD1 TRP 56 0.194 19.596 -10.137 401 HE1 TRP 56 HE1 TRP 56 -2.015 18.349 -10.570 402 HE3 TRP 56 HE3 TRP 56 -1.054 18.456 -5.312 403 HZ2 TRP 56 HZ2 TRP 56 -4.022 17.053 -9.066 404 HZ3 TRP 56 HZ3 TRP 56 -3.135 17.211 -4.895 405 HH2 TRP 56 HH2 TRP 56 -4.587 16.526 -6.734 406 H TYR 57 H TYR 57 3.904 21.194 -7.908 407 HA TYR 57 HA TYR 57 4.472 21.954 -5.318 408 HB2 TYR 57 HB2 TYR 57 6.245 21.184 -6.720 409 HB3 TYR 57 HB3 TYR 57 5.980 22.481 -7.880 410 HD1 TYR 57 HD2 TYR 57 7.343 21.642 -4.569 411 HD2 TYR 57 HD1 TYR 57 6.884 24.678 -7.514 412 HE1 TYR 57 HE2 TYR 57 9.024 23.013 -3.410 413 HE2 TYR 57 HE1 TYR 57 8.565 26.057 -6.364 414 HH TYR 57 HH TYR 57 9.989 26.193 -4.670 415 H ASP 58 H ASP 58 3.879 24.015 -8.135 416 HA ASP 58 HA ASP 58 4.402 26.477 -6.866 417 HB2 ASP 58 HB2 ASP 58 4.184 26.022 -9.366 418 HB3 ASP 58 HB3 ASP 58 2.441 26.081 -9.124 419 H ILE 59 H ILE 59 1.604 24.403 -6.927 420 HA ILE 59 HA ILE 59 -0.224 26.368 -5.916 421 HB ILE 59 HB ILE 59 -0.460 23.357 -5.988 422 HG12 ILE 59 HG12 ILE 59 -1.813 25.351 -7.800 423 HG13 ILE 59 HG13 ILE 59 -0.243 24.657 -8.188 424 HG21 ILE 59 HG21 ILE 59 -1.955 24.158 -4.330 425 HG22 ILE 59 HG22 ILE 59 -2.460 25.510 -5.342 426 HG23 ILE 59 HG23 ILE 59 -2.918 23.863 -5.777 427 HD11 ILE 59 HD11 ILE 59 -2.133 22.603 -7.482 428 HD12 ILE 59 HD12 ILE 59 -2.737 23.611 -8.798 429 HD13 ILE 59 HD13 ILE 59 -1.177 22.803 -8.950 430 H VAL 60 H VAL 60 1.385 23.522 -4.499 431 HA VAL 60 HA VAL 60 0.435 23.949 -1.873 432 HB VAL 60 HB VAL 60 2.247 22.408 -1.173 433 HG11 VAL 60 HG11 VAL 60 0.030 21.878 -2.792 434 HG12 VAL 60 HG12 VAL 60 1.338 20.884 -3.437 435 HG13 VAL 60 HG13 VAL 60 0.881 20.749 -1.739 436 HG21 VAL 60 HG21 VAL 60 4.004 23.063 -2.673 437 HG22 VAL 60 HG22 VAL 60 3.631 21.363 -2.957 438 HG23 VAL 60 HG23 VAL 60 3.043 22.593 -4.075 439 H GLU 61 H GLU 61 3.056 25.315 -3.679 440 HA GLU 61 HA GLU 61 4.528 26.263 -1.407 441 HB2 GLU 61 HB2 GLU 61 5.753 25.887 -3.425 442 HB3 GLU 61 HB3 GLU 61 4.660 26.906 -4.351 443 HG2 GLU 61 HG2 GLU 61 5.445 28.869 -3.163 444 HG3 GLU 61 HG3 GLU 61 6.503 27.865 -2.173 445 H GLN 62 H GLN 62 2.000 27.504 -3.476 446 HA GLN 62 HA GLN 62 2.194 30.171 -2.331 447 HB2 GLN 62 HB2 GLN 62 0.495 30.803 -3.912 448 HB3 GLN 62 HB3 GLN 62 1.700 29.835 -4.750 449 HG2 GLN 62 HG2 GLN 62 0.270 27.932 -4.771 450 HG3 GLN 62 HG3 GLN 62 -0.887 28.722 -3.700 451 HE21 GLN 62 HE21 GLN 62 0.284 28.419 -6.929 452 HE22 GLN 62 HE22 GLN 62 -0.940 29.370 -7.692 453 H HIS 63 H HIS 63 0.328 27.268 -1.986 454 HA HIS 63 HA HIS 63 -1.845 28.492 -0.562 455 HB2 HIS 63 HB2 HIS 63 -2.115 26.390 -1.848 456 HB3 HIS 63 HB3 HIS 63 -1.048 25.577 -0.708 457 HD1 HIS 63 HD1 HIS 63 -3.851 27.950 0.205 458 HD2 HIS 63 HD2 HIS 63 -2.864 23.925 0.499 459 HE1 HIS 63 HE1 HIS 63 -5.632 26.926 1.655 460 H ASN 64 H ASN 64 1.266 27.217 0.244 461 HA ASN 64 HA ASN 64 0.637 27.517 3.107 462 HB2 ASN 64 HB2 ASN 64 2.285 25.520 1.635 463 HB3 ASN 64 HB3 ASN 64 2.845 26.022 3.227 464 HD21 ASN 64 HD21 ASN 64 1.933 25.155 4.975 465 HD22 ASN 64 HD22 ASN 64 0.556 24.111 4.962 466 H GLU 65 H GLU 65 1.703 29.043 4.190 467 HA GLU 65 HA GLU 65 3.712 30.607 2.803 468 HB2 GLU 65 HB2 GLU 65 3.494 32.183 4.616 469 HB3 GLU 65 HB3 GLU 65 1.888 31.689 4.097 470 HG2 GLU 65 HG2 GLU 65 1.953 30.012 5.998 471 HG3 GLU 65 HG3 GLU 65 3.369 30.886 6.578 472 H ILE 66 H ILE 66 5.801 31.036 3.602 473 HA ILE 66 HA ILE 66 6.844 28.929 5.376 474 HB ILE 66 HB ILE 66 9.073 29.480 4.304 475 HG12 ILE 66 HG12 ILE 66 7.270 30.873 2.312 476 HG13 ILE 66 HG13 ILE 66 8.442 31.660 3.363 477 HG21 ILE 66 HG21 ILE 66 8.740 27.686 3.023 478 HG22 ILE 66 HG22 ILE 66 7.062 27.746 3.561 479 HG23 ILE 66 HG23 ILE 66 7.529 28.511 2.043 480 HD11 ILE 66 HD11 ILE 66 9.929 29.758 2.027 481 HD12 ILE 66 HD12 ILE 66 8.816 30.371 0.804 482 HD13 ILE 66 HD13 ILE 66 9.868 31.485 1.677 483 H SER 67 H SER 67 7.843 29.477 7.217 484 HA SER 67 HA SER 67 7.925 32.285 7.948 485 HB2 SER 67 HB2 SER 67 8.640 29.860 9.613 486 HB3 SER 67 HB3 SER 67 8.360 31.497 10.206 487 HG SER 67 HG SER 67 6.412 30.685 10.469 488 H ASP 68 H ASP 68 9.956 32.615 9.610 489 HA ASP 68 HA ASP 68 12.169 33.056 7.966 490 HB2 ASP 68 HB2 ASP 68 12.007 34.387 9.908 491 HB3 ASP 68 HB3 ASP 68 11.843 32.984 10.959 492 H GLU 69 H GLU 69 11.377 30.359 10.081 493 HA GLU 69 HA GLU 69 13.945 29.093 9.718 494 HB2 GLU 69 HB2 GLU 69 12.976 27.250 11.020 495 HB3 GLU 69 HB3 GLU 69 12.747 28.799 11.820 496 HG2 GLU 69 HG2 GLU 69 10.440 28.869 10.945 497 HG3 GLU 69 HG3 GLU 69 10.684 27.264 10.257 498 H GLU 70 H GLU 70 10.662 28.707 8.483 499 HA GLU 70 HA GLU 70 11.100 26.310 7.062 500 HB2 GLU 70 HB2 GLU 70 8.887 27.578 7.656 501 HB3 GLU 70 HB3 GLU 70 9.153 28.379 6.113 502 HG2 GLU 70 HG2 GLU 70 8.790 26.472 4.899 503 HG3 GLU 70 HG3 GLU 70 9.259 25.408 6.224 504 H ASN 71 H ASN 71 10.888 29.654 5.830 505 HA ASN 71 HA ASN 71 11.669 29.121 3.218 506 HB2 ASN 71 HB2 ASN 71 10.724 31.263 3.812 507 HB3 ASN 71 HB3 ASN 71 12.076 31.611 4.885 508 HD21 ASN 71 HD21 ASN 71 12.003 30.288 1.605 509 HD22 ASN 71 HD22 ASN 71 12.970 31.532 0.895 510 H ASP 72 H ASP 72 13.561 29.344 6.114 511 HA ASP 72 HA ASP 72 16.089 29.758 4.865 512 HB2 ASP 72 HB2 ASP 72 15.774 30.319 7.208 513 HB3 ASP 72 HB3 ASP 72 15.380 28.645 7.587 514 H MET 73 H MET 73 14.124 26.969 5.545 515 HA MET 73 HA MET 73 16.039 24.946 5.446 516 HB2 MET 73 HB2 MET 73 13.169 24.912 4.499 517 HB3 MET 73 HB3 MET 73 14.164 23.479 4.715 518 HG2 MET 73 HG2 MET 73 14.455 24.476 7.139 519 HG3 MET 73 HG3 MET 73 12.926 25.256 6.740 520 HE1 MET 73 HE1 MET 73 14.449 22.358 8.434 521 HE2 MET 73 HE2 MET 73 13.649 20.910 7.823 522 HE3 MET 73 HE3 MET 73 14.791 21.785 6.802 523 H LEU 74 H LEU 74 14.513 26.774 2.878 524 HA LEU 74 HA LEU 74 15.275 25.119 0.721 525 HB2 LEU 74 HB2 LEU 74 13.548 26.830 0.534 526 HB3 LEU 74 HB3 LEU 74 14.754 28.089 0.790 527 HG LEU 74 HG LEU 74 15.088 26.240 -1.524 528 HD11 LEU 74 HD11 LEU 74 13.732 28.000 -2.825 529 HD12 LEU 74 HD12 LEU 74 13.001 28.370 -1.264 530 HD13 LEU 74 HD13 LEU 74 12.861 26.747 -1.940 531 HD21 LEU 74 HD21 LEU 74 16.031 28.874 -0.629 532 HD22 LEU 74 HD22 LEU 74 15.644 28.761 -2.346 533 HD23 LEU 74 HD23 LEU 74 16.825 27.662 -1.634 534 H ASP 75 H ASP 75 16.862 27.823 2.341 535 HA ASP 75 HA ASP 75 18.985 28.204 0.568 536 HB2 ASP 75 HB2 ASP 75 18.305 29.612 2.607 537 HB3 ASP 75 HB3 ASP 75 19.261 28.477 3.556 538 H LEU 76 H LEU 76 18.401 25.710 2.904 539 HA LEU 76 HA LEU 76 21.144 24.751 2.813 540 HB2 LEU 76 HB2 LEU 76 18.681 23.967 4.317 541 HB3 LEU 76 HB3 LEU 76 20.051 22.863 4.220 542 HG LEU 76 HG LEU 76 21.399 24.912 5.120 543 HD11 LEU 76 HD11 LEU 76 19.656 26.562 4.966 544 HD12 LEU 76 HD12 LEU 76 20.035 26.282 6.665 545 HD13 LEU 76 HD13 LEU 76 18.581 25.576 5.958 546 HD21 LEU 76 HD21 LEU 76 20.513 24.222 7.494 547 HD22 LEU 76 HD22 LEU 76 21.419 23.082 6.499 548 HD23 LEU 76 HD23 LEU 76 19.660 22.981 6.575 549 H ALA 77 H ALA 77 18.052 24.082 1.383 550 HA ALA 77 HA ALA 77 18.436 21.448 0.530 551 HB1 ALA 77 HB1 ALA 77 16.922 22.464 -1.465 552 HB2 ALA 77 HB2 ALA 77 16.293 21.991 0.114 553 HB3 ALA 77 HB3 ALA 77 16.674 23.682 -0.213 554 H PHE 78 H PHE 78 20.078 20.697 -0.631 555 HA PHE 78 HA PHE 78 20.928 22.214 -2.999 556 HB2 PHE 78 HB2 PHE 78 22.595 21.237 -0.736 557 HB3 PHE 78 HB3 PHE 78 23.268 21.096 -2.356 558 HD1 PHE 78 HD2 PHE 78 22.898 23.338 -3.808 559 HD2 PHE 78 HD1 PHE 78 23.140 23.120 0.436 560 HE1 PHE 78 HE2 PHE 78 23.580 25.700 -3.729 561 HE2 PHE 78 HE1 PHE 78 23.820 25.483 0.522 562 HZ PHE 78 HZ PHE 78 24.043 26.776 -1.562 563 H GLY 79 H GLY 79 20.675 21.031 -4.769 564 HA2 GLY 79 HA2 GLY 79 21.163 19.145 -6.126 565 HA3 GLY 79 HA3 GLY 79 21.291 18.166 -4.672 566 H LEU 80 H LEU 80 18.723 19.458 -3.700 567 HA LEU 80 HA LEU 80 16.970 17.429 -4.614 568 HB2 LEU 80 HB2 LEU 80 16.984 18.783 -2.399 569 HB3 LEU 80 HB3 LEU 80 16.017 19.945 -3.304 570 HG LEU 80 HG LEU 80 14.439 17.988 -3.782 571 HD11 LEU 80 HD11 LEU 80 15.663 16.092 -3.194 572 HD12 LEU 80 HD12 LEU 80 14.537 16.301 -1.854 573 HD13 LEU 80 HD13 LEU 80 16.218 16.803 -1.679 574 HD21 LEU 80 HD21 LEU 80 13.873 19.807 -2.280 575 HD22 LEU 80 HD22 LEU 80 14.765 19.033 -0.970 576 HD23 LEU 80 HD23 LEU 80 13.311 18.273 -1.617 577 H THR 81 H THR 81 14.893 17.761 -5.671 578 HA THR 81 HA THR 81 15.174 19.524 -7.960 579 HB THR 81 HB THR 81 12.959 18.400 -8.636 580 HG1 THR 81 HG1 THR 81 12.195 16.889 -7.350 581 HG21 THR 81 HG21 THR 81 14.444 16.103 -8.797 582 HG22 THR 81 HG22 THR 81 15.686 17.336 -8.576 583 HG23 THR 81 HG23 THR 81 14.548 17.460 -9.917 584 H ASP 82 H ASP 82 13.147 20.665 -8.736 585 HA ASP 82 HA ASP 82 12.237 22.402 -6.618 586 HB2 ASP 82 HB2 ASP 82 11.504 22.419 -9.553 587 HB3 ASP 82 HB3 ASP 82 11.219 23.717 -8.397 588 H THR 83 H THR 83 11.242 19.462 -7.654 589 HA THR 83 HA THR 83 8.379 20.012 -7.338 590 HB THR 83 HB THR 83 7.909 17.996 -8.398 591 HG1 THR 83 HG1 THR 83 9.573 16.348 -8.630 592 HG21 THR 83 HG21 THR 83 9.438 19.740 -9.716 593 HG22 THR 83 HG22 THR 83 8.877 18.237 -10.448 594 HG23 THR 83 HG23 THR 83 10.508 18.341 -9.786 595 H SER 84 H SER 84 11.086 18.682 -5.694 596 HA SER 84 HA SER 84 9.411 17.245 -3.779 597 HB2 SER 84 HB2 SER 84 11.372 16.039 -4.474 598 HB3 SER 84 HB3 SER 84 12.411 17.419 -4.121 599 HG SER 84 HG SER 84 10.851 16.436 -2.037 600 H ARG 85 H ARG 85 8.792 18.115 -1.918 601 HA ARG 85 HA ARG 85 10.107 20.592 -1.031 602 HB2 ARG 85 HB2 ARG 85 7.302 19.580 -0.857 603 HB3 ARG 85 HB3 ARG 85 7.884 20.669 0.396 604 HG2 ARG 85 HG2 ARG 85 8.272 21.417 -2.459 605 HG3 ARG 85 HG3 ARG 85 6.675 21.590 -1.729 606 HD2 ARG 85 HD2 ARG 85 7.649 23.666 -1.362 607 HD3 ARG 85 HD3 ARG 85 7.918 22.822 0.162 608 HE ARG 85 HE ARG 85 10.098 22.515 -1.662 609 HH11 ARG 85 HH11 ARG 85 8.667 24.638 0.697 610 HH12 ARG 85 HH12 ARG 85 10.161 25.423 1.089 611 HH21 ARG 85 HH21 ARG 85 12.071 23.542 -1.155 612 HH22 ARG 85 HH22 ARG 85 12.096 24.799 0.034 613 H LEU 86 H LEU 86 10.964 20.757 0.979 614 HA LEU 86 HA LEU 86 11.963 20.043 2.898 615 HB2 LEU 86 HB2 LEU 86 9.341 18.596 3.243 616 HB3 LEU 86 HB3 LEU 86 10.495 18.973 4.520 617 HG LEU 86 HG LEU 86 8.996 21.038 2.911 618 HD11 LEU 86 HD11 LEU 86 7.622 21.341 4.899 619 HD12 LEU 86 HD12 LEU 86 8.456 20.006 5.693 620 HD13 LEU 86 HD13 LEU 86 7.464 19.702 4.267 621 HD21 LEU 86 HD21 LEU 86 9.716 22.394 5.004 622 HD22 LEU 86 HD22 LEU 86 10.879 22.116 3.708 623 HD23 LEU 86 HD23 LEU 86 10.945 21.141 5.176 624 H GLY 87 H GLY 87 12.299 18.383 0.488 625 HA2 GLY 87 HA2 GLY 87 12.608 15.708 1.671 626 HA3 GLY 87 HA3 GLY 87 12.629 16.074 -0.048 627 H CYS 88 H CYS 88 14.584 14.662 0.126 628 HA CYS 88 HA CYS 88 16.933 16.364 0.397 629 HB2 CYS 88 HB2 CYS 88 16.618 13.726 1.842 630 HB3 CYS 88 HB3 CYS 88 18.151 14.569 1.648 631 HG CYS 88 HG CYS 88 17.528 16.711 3.226 632 H GLN 89 H GLN 89 15.778 13.089 -0.374 633 HA GLN 89 HA GLN 89 17.575 13.113 -2.709 634 HB2 GLN 89 HB2 GLN 89 16.855 10.822 -0.884 635 HB3 GLN 89 HB3 GLN 89 17.594 10.590 -2.463 636 HG2 GLN 89 HG2 GLN 89 19.528 11.897 -1.757 637 HG3 GLN 89 HG3 GLN 89 18.786 12.144 -0.177 638 HE21 GLN 89 HE21 GLN 89 20.336 9.873 -2.297 639 HE22 GLN 89 HE22 GLN 89 20.636 8.656 -1.108 640 H ILE 90 H ILE 90 14.658 13.821 -2.251 641 HA ILE 90 HA ILE 90 12.619 13.502 -3.232 642 HB ILE 90 HB ILE 90 13.795 12.392 -5.701 643 HG12 ILE 90 HG12 ILE 90 14.606 15.105 -4.635 644 HG13 ILE 90 HG13 ILE 90 15.676 13.736 -4.917 645 HG21 ILE 90 HG21 ILE 90 11.958 13.338 -6.505 646 HG22 ILE 90 HG22 ILE 90 11.579 13.966 -4.903 647 HG23 ILE 90 HG23 ILE 90 12.551 14.926 -6.018 648 HD11 ILE 90 HD11 ILE 90 16.006 14.415 -6.990 649 HD12 ILE 90 HD12 ILE 90 14.278 14.296 -7.325 650 HD13 ILE 90 HD13 ILE 90 14.953 15.799 -6.697 651 H ILE 91 H ILE 91 11.888 11.783 -1.934 652 HA ILE 91 HA ILE 91 11.975 9.150 -3.257 653 HB ILE 91 HB ILE 91 11.511 8.247 -0.899 654 HG12 ILE 91 HG12 ILE 91 12.759 10.891 -0.127 655 HG13 ILE 91 HG13 ILE 91 11.049 10.519 0.061 656 HG21 ILE 91 HG21 ILE 91 13.553 7.576 -1.605 657 HG22 ILE 91 HG22 ILE 91 14.056 9.205 -2.051 658 HG23 ILE 91 HG23 ILE 91 14.093 8.703 -0.361 659 HD11 ILE 91 HD11 ILE 91 12.857 10.198 2.002 660 HD12 ILE 91 HD12 ILE 91 11.398 9.216 1.863 661 HD13 ILE 91 HD13 ILE 91 12.936 8.601 1.260 662 H LEU 92 H LEU 92 10.073 8.572 -4.051 663 HA LEU 92 HA LEU 92 7.685 9.919 -3.746 664 HB2 LEU 92 HB2 LEU 92 8.052 6.987 -4.342 665 HB3 LEU 92 HB3 LEU 92 6.599 7.930 -4.665 666 HG LEU 92 HG LEU 92 9.156 8.802 -5.917 667 HD11 LEU 92 HD11 LEU 92 9.347 6.549 -6.486 668 HD12 LEU 92 HD12 LEU 92 8.507 7.265 -7.860 669 HD13 LEU 92 HD13 LEU 92 7.603 6.346 -6.657 670 HD21 LEU 92 HD21 LEU 92 7.750 9.681 -7.573 671 HD22 LEU 92 HD22 LEU 92 6.900 9.988 -6.058 672 HD23 LEU 92 HD23 LEU 92 6.399 8.652 -7.097 673 H THR 93 H THR 93 5.609 8.831 -2.888 674 HA THR 93 HA THR 93 5.909 7.257 -0.493 675 HB THR 93 HB THR 93 6.344 9.175 0.713 676 HG1 THR 93 HG1 THR 93 4.614 8.595 1.839 677 HG21 THR 93 HG21 THR 93 5.332 11.373 0.264 678 HG22 THR 93 HG22 THR 93 4.435 10.675 -1.085 679 HG23 THR 93 HG23 THR 93 6.196 10.750 -1.141 680 H LYS 94 H LYS 94 3.837 6.686 0.471 681 HA LYS 94 HA LYS 94 1.906 5.995 -1.431 682 HB2 LYS 94 HB2 LYS 94 1.795 4.629 0.410 683 HB3 LYS 94 HB3 LYS 94 2.063 5.948 1.541 684 HG2 LYS 94 HG2 LYS 94 -0.181 6.624 1.456 685 HG3 LYS 94 HG3 LYS 94 -0.499 5.672 0.003 686 HD2 LYS 94 HD2 LYS 94 -1.460 4.377 1.666 687 HD3 LYS 94 HD3 LYS 94 0.139 3.648 1.499 688 HE2 LYS 94 HE2 LYS 94 0.923 4.655 3.467 689 HE3 LYS 94 HE3 LYS 94 -0.401 5.818 3.502 690 HZ1 LYS 94 HZ1 LYS 94 -0.832 4.187 5.147 691 HZ2 LYS 94 HZ2 LYS 94 -0.546 2.912 4.074 692 HZ3 LYS 94 HZ3 LYS 94 -1.912 3.890 3.880 693 H GLU 95 H GLU 95 2.414 8.930 0.246 694 HA GLU 95 HA GLU 95 -0.128 9.995 0.493 695 HB2 GLU 95 HB2 GLU 95 2.583 11.153 0.067 696 HB3 GLU 95 HB3 GLU 95 1.197 12.214 -0.145 697 HG2 GLU 95 HG2 GLU 95 2.085 12.369 2.106 698 HG3 GLU 95 HG3 GLU 95 0.448 11.714 2.114 699 H LEU 96 H LEU 96 1.718 9.365 -2.360 700 HA LEU 96 HA LEU 96 -0.052 10.989 -4.022 701 HB2 LEU 96 HB2 LEU 96 2.376 9.353 -4.742 702 HB3 LEU 96 HB3 LEU 96 1.463 10.367 -5.857 703 HG LEU 96 HG LEU 96 2.109 12.191 -3.978 704 HD11 LEU 96 HD11 LEU 96 4.286 11.875 -3.135 705 HD12 LEU 96 HD12 LEU 96 4.547 10.440 -4.126 706 HD13 LEU 96 HD13 LEU 96 3.414 10.385 -2.776 707 HD21 LEU 96 HD21 LEU 96 4.271 11.727 -5.905 708 HD22 LEU 96 HD22 LEU 96 3.241 13.139 -5.669 709 HD23 LEU 96 HD23 LEU 96 2.653 11.764 -6.606 710 H ASP 97 H ASP 97 -0.890 8.498 -2.608 711 HA ASP 97 HA ASP 97 -1.191 6.389 -4.452 712 HB2 ASP 97 HB2 ASP 97 -2.910 5.543 -2.922 713 HB3 ASP 97 HB3 ASP 97 -1.490 6.088 -2.034 714 H GLY 98 H GLY 98 -2.308 6.371 -6.281 715 HA2 GLY 98 HA2 GLY 98 -4.127 6.593 -7.697 716 HA3 GLY 98 HA3 GLY 98 -5.009 7.363 -6.386 717 H LEU 99 H LEU 99 -2.010 8.809 -6.827 718 HA LEU 99 HA LEU 99 -3.249 10.975 -8.390 719 HB2 LEU 99 HB2 LEU 99 -0.982 11.106 -6.407 720 HB3 LEU 99 HB3 LEU 99 -1.630 12.472 -7.313 721 HG LEU 99 HG LEU 99 -3.197 10.863 -5.299 722 HD11 LEU 99 HD11 LEU 99 -1.306 13.069 -4.984 723 HD12 LEU 99 HD12 LEU 99 -1.947 11.941 -3.790 724 HD13 LEU 99 HD13 LEU 99 -2.883 13.362 -4.252 725 HD21 LEU 99 HD21 LEU 99 -4.979 12.127 -5.798 726 HD22 LEU 99 HD22 LEU 99 -4.139 12.423 -7.321 727 HD23 LEU 99 HD23 LEU 99 -4.011 13.588 -6.001 728 H CYS 100 H CYS 100 -2.010 12.039 -9.981 729 HA CYS 100 HA CYS 100 0.131 10.365 -11.091 730 HB2 CYS 100 HB2 CYS 100 -0.315 11.573 -13.213 731 HB3 CYS 100 HB3 CYS 100 -1.730 10.723 -12.602 732 HG CYS 100 HG CYS 100 -3.231 12.825 -12.071 733 H VAL 101 H VAL 101 2.169 11.062 -11.166 734 HA VAL 101 HA VAL 101 2.759 13.913 -11.101 735 HB VAL 101 HB VAL 101 4.377 13.677 -9.257 736 HG11 VAL 101 HG11 VAL 101 2.834 14.001 -7.568 737 HG12 VAL 101 HG12 VAL 101 1.861 14.298 -9.010 738 HG13 VAL 101 HG13 VAL 101 1.751 12.748 -8.174 739 HG21 VAL 101 HG21 VAL 101 4.604 11.749 -7.962 740 HG22 VAL 101 HG22 VAL 101 3.110 11.044 -8.579 741 HG23 VAL 101 HG23 VAL 101 4.536 11.134 -9.614 742 H ILE 102 H ILE 102 5.163 14.290 -11.320 743 HA ILE 102 HA ILE 102 6.164 12.543 -13.404 744 HB ILE 102 HB ILE 102 7.289 15.112 -12.284 745 HG12 ILE 102 HG12 ILE 102 5.139 15.339 -13.498 746 HG13 ILE 102 HG13 ILE 102 6.470 16.129 -14.335 747 HG21 ILE 102 HG21 ILE 102 8.497 14.912 -14.638 748 HG22 ILE 102 HG22 ILE 102 9.181 14.214 -13.171 749 HG23 ILE 102 HG23 ILE 102 8.299 13.191 -14.305 750 HD11 ILE 102 HD11 ILE 102 5.036 14.959 -15.894 751 HD12 ILE 102 HD12 ILE 102 6.637 14.219 -15.851 752 HD13 ILE 102 HD13 ILE 102 5.287 13.449 -15.018 753 H LEU 103 H LEU 103 7.995 11.306 -13.322 754 HA LEU 103 HA LEU 103 8.786 10.254 -10.835 755 HB2 LEU 103 HB2 LEU 103 10.166 8.833 -12.018 756 HB3 LEU 103 HB3 LEU 103 8.920 9.233 -13.199 757 HG LEU 103 HG LEU 103 11.668 10.474 -13.085 758 HD11 LEU 103 HD11 LEU 103 12.047 9.174 -15.161 759 HD12 LEU 103 HD12 LEU 103 10.525 8.333 -14.871 760 HD13 LEU 103 HD13 LEU 103 11.857 8.167 -13.726 761 HD21 LEU 103 HD21 LEU 103 10.892 11.110 -15.483 762 HD22 LEU 103 HD22 LEU 103 10.355 12.074 -14.107 763 HD23 LEU 103 HD23 LEU 103 9.272 10.880 -14.824 764 HA PRO 104 HA PRO 104 11.953 12.949 -9.427 765 HB2 PRO 104 HB2 PRO 104 13.638 11.195 -8.222 766 HB3 PRO 104 HB3 PRO 104 12.066 11.637 -7.545 767 HG2 PRO 104 HG2 PRO 104 12.834 9.211 -9.122 768 HG3 PRO 104 HG3 PRO 104 11.817 9.329 -7.674 769 HD2 PRO 104 HD2 PRO 104 10.783 9.091 -10.166 770 HD3 PRO 104 HD3 PRO 104 9.966 9.996 -8.875 771 H THR 105 H THR 105 13.251 9.972 -10.902 772 HA THR 105 HA THR 105 15.725 11.198 -11.642 773 HB THR 105 HB THR 105 16.222 9.143 -12.818 774 HG1 THR 105 HG1 THR 105 14.477 7.492 -12.802 775 HG21 THR 105 HG21 THR 105 16.391 7.796 -10.978 776 HG22 THR 105 HG22 THR 105 14.726 8.086 -10.476 777 HG23 THR 105 HG23 THR 105 15.962 9.309 -10.181 778 H GLU 106 H GLU 106 16.306 10.592 -14.159 779 HA GLU 106 HA GLU 106 14.354 12.137 -15.733 780 HB2 GLU 106 HB2 GLU 106 17.358 11.953 -15.925 781 HB3 GLU 106 HB3 GLU 106 16.370 12.635 -17.209 782 HG2 GLU 106 HG2 GLU 106 16.478 13.637 -14.373 783 HG3 GLU 106 HG3 GLU 106 17.319 14.352 -15.748 784 H THR 107 H THR 107 14.287 9.261 -15.308 785 HA THR 107 HA THR 107 15.178 8.089 -17.810 786 HB THR 107 HB THR 107 13.417 6.585 -15.934 787 HG1 THR 107 HG1 THR 107 16.177 6.942 -15.374 788 HG21 THR 107 HG21 THR 107 14.113 5.059 -17.435 789 HG22 THR 107 HG22 THR 107 15.609 5.059 -16.500 790 HG23 THR 107 HG23 THR 107 15.476 6.050 -17.953 791 H ARG 108 H ARG 108 13.592 6.674 -19.016 792 HA ARG 108 HA ARG 108 10.817 7.416 -18.928 793 HB2 ARG 108 HB2 ARG 108 10.875 8.204 -21.365 794 HB3 ARG 108 HB3 ARG 108 11.432 9.333 -20.137 795 HG2 ARG 108 HG2 ARG 108 13.601 9.234 -20.827 796 HG3 ARG 108 HG3 ARG 108 13.448 7.585 -21.436 797 HD2 ARG 108 HD2 ARG 108 13.606 8.802 -23.390 798 HD3 ARG 108 HD3 ARG 108 11.860 8.663 -23.188 799 HE ARG 108 HE ARG 108 12.413 10.993 -21.954 800 HH11 ARG 108 HH11 ARG 108 13.249 9.721 -25.086 801 HH12 ARG 108 HH12 ARG 108 13.299 11.276 -25.848 802 HH21 ARG 108 HH21 ARG 108 12.475 13.045 -22.947 803 HH22 ARG 108 HH22 ARG 108 12.859 13.166 -24.631 804 H ASN 109 H ASN 109 9.501 6.111 -20.274 805 HA ASN 109 HA ASN 109 10.518 4.240 -22.129 806 HB2 ASN 109 HB2 ASN 109 11.477 3.108 -20.233 807 HB3 ASN 109 HB3 ASN 109 9.960 3.205 -19.344 808 HD21 ASN 109 HD21 ASN 109 9.268 1.199 -19.122 809 HD22 ASN 109 HD22 ASN 109 9.118 0.036 -20.391 810 H ILE 110 H ILE 110 8.890 3.215 -23.247 811 HA ILE 110 HA ILE 110 6.145 3.746 -22.313 812 HB ILE 110 HB ILE 110 6.711 5.177 -24.223 813 HG12 ILE 110 HG12 ILE 110 4.790 2.961 -24.968 814 HG13 ILE 110 HG13 ILE 110 4.403 4.332 -23.934 815 HG21 ILE 110 HG21 ILE 110 7.326 4.329 -26.349 816 HG22 ILE 110 HG22 ILE 110 8.390 3.558 -25.174 817 HG23 ILE 110 HG23 ILE 110 7.027 2.665 -25.848 818 HD11 ILE 110 HD11 ILE 110 5.169 5.730 -25.996 819 HD12 ILE 110 HD12 ILE 110 4.832 4.238 -26.875 820 HD13 ILE 110 HD13 ILE 110 3.556 5.020 -25.943 821 H SER 111 H SER 111 8.325 1.550 -23.964 822 HA SER 111 HA SER 111 6.585 -0.399 -24.851 823 HB2 SER 111 HB2 SER 111 8.986 -0.457 -25.323 824 HB3 SER 111 HB3 SER 111 9.327 -0.790 -23.625 825 HG SER 111 HG SER 111 8.055 -2.450 -25.526 826 H PHE 112 H PHE 112 5.358 -1.934 -23.938 827 HA PHE 112 HA PHE 112 5.057 -1.916 -21.063 828 HB2 PHE 112 HB2 PHE 112 3.100 -3.262 -21.422 829 HB3 PHE 112 HB3 PHE 112 3.110 -1.993 -22.642 830 HD1 PHE 112 HD2 PHE 112 3.658 -2.525 -24.978 831 HD2 PHE 112 HD1 PHE 112 3.289 -5.559 -22.015 832 HE1 PHE 112 HE2 PHE 112 3.461 -4.224 -26.747 833 HE2 PHE 112 HE1 PHE 112 3.093 -7.263 -23.779 834 HZ PHE 112 HZ PHE 112 3.178 -6.596 -26.149 835 H VAL 113 H VAL 113 5.615 -3.501 -19.656 836 HA VAL 113 HA VAL 113 6.623 -6.044 -20.672 837 HB VAL 113 HB VAL 113 8.279 -4.359 -18.791 838 HG11 VAL 113 HG11 VAL 113 10.016 -6.098 -19.408 839 HG12 VAL 113 HG12 VAL 113 8.694 -6.647 -18.375 840 HG13 VAL 113 HG13 VAL 113 8.692 -7.038 -20.095 841 HG21 VAL 113 HG21 VAL 113 8.281 -3.342 -20.994 842 HG22 VAL 113 HG22 VAL 113 9.841 -4.101 -20.676 843 HG23 VAL 113 HG23 VAL 113 8.674 -4.894 -21.734 844 H LYS 114 H LYS 114 6.617 -7.720 -19.147 845 HA LYS 114 HA LYS 114 5.046 -7.132 -16.729 846 HB2 LYS 114 HB2 LYS 114 4.557 -9.632 -16.812 847 HB3 LYS 114 HB3 LYS 114 3.825 -8.643 -18.068 848 HG2 LYS 114 HG2 LYS 114 6.458 -9.863 -18.660 849 HG3 LYS 114 HG3 LYS 114 5.056 -10.933 -18.590 850 HD2 LYS 114 HD2 LYS 114 4.015 -8.997 -20.099 851 HD3 LYS 114 HD3 LYS 114 5.715 -8.776 -20.518 852 HE2 LYS 114 HE2 LYS 114 4.380 -11.467 -20.603 853 HE3 LYS 114 HE3 LYS 114 4.345 -10.360 -21.975 854 HZ1 LYS 114 HZ1 LYS 114 6.910 -11.072 -20.713 855 HZ2 LYS 114 HZ2 LYS 114 6.609 -10.544 -22.291 856 HZ3 LYS 114 HZ3 LYS 114 6.198 -12.120 -21.834 857 H ASN 115 H ASN 115 7.083 -6.478 -15.700 858 HA ASN 115 HA ASN 115 9.294 -8.102 -15.314 859 HB2 ASN 115 HB2 ASN 115 8.043 -6.065 -13.463 860 HB3 ASN 115 HB3 ASN 115 9.616 -6.804 -13.179 861 HD21 ASN 115 HD21 ASN 115 10.867 -6.806 -15.485 862 HD22 ASN 115 HD22 ASN 115 11.025 -5.215 -16.139 863 H SER 116 H SER 116 9.912 -8.986 -13.051 864 HA SER 116 HA SER 116 8.103 -11.137 -12.490 865 HB2 SER 116 HB2 SER 116 10.286 -11.857 -12.279 866 HB3 SER 116 HB3 SER 116 10.831 -10.339 -11.567 867 HG SER 116 HG SER 116 10.474 -12.421 -10.224 Start of MODEL 2 1 H1 MET 1 H MET 1 0.852 -0.797 -2.429 2 HA MET 1 HA MET 1 2.337 -0.214 -4.049 3 HB2 MET 1 HB2 MET 1 3.005 -2.023 -5.680 4 HB3 MET 1 HB3 MET 1 3.195 -2.429 -3.980 5 HG2 MET 1 HG2 MET 1 1.525 -3.979 -4.015 6 HG3 MET 1 HG3 MET 1 0.657 -3.176 -5.322 7 HE1 MET 1 HE1 MET 1 0.683 -5.201 -7.735 8 HE2 MET 1 HE2 MET 1 0.701 -3.469 -7.407 9 HE3 MET 1 HE3 MET 1 1.933 -4.182 -8.449 10 HA PRO 2 HA PRO 2 -1.239 0.732 -6.869 11 HB2 PRO 2 HB2 PRO 2 -1.028 3.428 -6.626 12 HB3 PRO 2 HB3 PRO 2 -1.973 2.434 -5.511 13 HG2 PRO 2 HG2 PRO 2 0.790 3.541 -5.186 14 HG3 PRO 2 HG3 PRO 2 -0.534 3.473 -4.008 15 HD2 PRO 2 HD2 PRO 2 1.518 1.706 -3.997 16 HD3 PRO 2 HD3 PRO 2 -0.125 1.266 -3.487 17 H LEU 3 H LEU 3 -1.054 2.807 -8.538 18 HA LEU 3 HA LEU 3 1.598 2.560 -9.797 19 HB2 LEU 3 HB2 LEU 3 0.204 1.277 -11.161 20 HB3 LEU 3 HB3 LEU 3 -1.141 2.404 -11.000 21 HG LEU 3 HG LEU 3 0.137 4.026 -12.395 22 HD11 LEU 3 HD11 LEU 3 2.251 3.686 -12.979 23 HD12 LEU 3 HD12 LEU 3 1.885 2.075 -13.596 24 HD13 LEU 3 HD13 LEU 3 2.264 2.300 -11.888 25 HD21 LEU 3 HD21 LEU 3 -0.128 1.473 -13.927 26 HD22 LEU 3 HD22 LEU 3 -0.588 3.112 -14.389 27 HD23 LEU 3 HD23 LEU 3 -1.552 2.224 -13.207 28 H ILE 4 H ILE 4 2.490 4.385 -10.676 29 HA ILE 4 HA ILE 4 0.993 6.890 -10.253 30 HB ILE 4 HB ILE 4 3.992 6.555 -10.180 31 HG12 ILE 4 HG12 ILE 4 3.080 5.425 -8.263 32 HG13 ILE 4 HG13 ILE 4 3.716 6.975 -7.722 33 HG21 ILE 4 HG21 ILE 4 3.810 8.843 -9.089 34 HG22 ILE 4 HG22 ILE 4 3.499 8.762 -10.822 35 HG23 ILE 4 HG23 ILE 4 2.152 8.878 -9.689 36 HD11 ILE 4 HD11 ILE 4 0.880 6.090 -7.993 37 HD12 ILE 4 HD12 ILE 4 1.700 6.825 -6.615 38 HD13 ILE 4 HD13 ILE 4 1.291 7.805 -8.023 39 H THR 5 H THR 5 0.603 8.089 -11.990 40 HA THR 5 HA THR 5 1.682 7.295 -14.553 41 HB THR 5 HB THR 5 -0.263 9.497 -13.836 42 HG1 THR 5 HG1 THR 5 -0.514 6.796 -14.571 43 HG21 THR 5 HG21 THR 5 -0.514 8.689 -16.534 44 HG22 THR 5 HG22 THR 5 1.194 9.020 -16.248 45 HG23 THR 5 HG23 THR 5 -0.013 10.261 -15.912 46 H PHE 6 H PHE 6 3.654 7.971 -15.091 47 HA PHE 6 HA PHE 6 4.600 10.579 -14.185 48 HB2 PHE 6 HB2 PHE 6 6.091 8.418 -15.688 49 HB3 PHE 6 HB3 PHE 6 6.797 9.848 -14.941 50 HD1 PHE 6 HD1 PHE 6 5.456 9.927 -12.349 51 HD2 PHE 6 HD2 PHE 6 6.973 6.613 -14.547 52 HE1 PHE 6 HE1 PHE 6 5.764 8.680 -10.250 53 HE2 PHE 6 HE2 PHE 6 7.283 5.361 -12.452 54 HZ PHE 6 HZ PHE 6 6.677 6.393 -10.300 55 H ILE 7 H ILE 7 4.621 12.316 -15.448 56 HA ILE 7 HA ILE 7 4.011 11.977 -18.298 57 HB ILE 7 HB ILE 7 3.935 14.544 -16.717 58 HG12 ILE 7 HG12 ILE 7 1.343 13.985 -17.034 59 HG13 ILE 7 HG13 ILE 7 1.954 12.335 -16.979 60 HG21 ILE 7 HG21 ILE 7 2.158 14.848 -18.706 61 HG22 ILE 7 HG22 ILE 7 3.858 15.294 -18.845 62 HG23 ILE 7 HG23 ILE 7 3.297 13.750 -19.485 63 HD11 ILE 7 HD11 ILE 7 2.132 12.421 -14.778 64 HD12 ILE 7 HD12 ILE 7 3.101 13.892 -14.861 65 HD13 ILE 7 HD13 ILE 7 1.341 13.996 -14.828 66 H SER 8 H SER 8 5.321 12.734 -19.892 67 HA SER 8 HA SER 8 8.015 13.529 -19.077 68 HB2 SER 8 HB2 SER 8 6.842 12.220 -21.481 69 HB3 SER 8 HB3 SER 8 8.286 13.205 -21.717 70 HG SER 8 HG SER 8 9.417 11.882 -20.392 71 HA PRO 9 HA PRO 9 7.711 17.692 -20.425 72 HB2 PRO 9 HB2 PRO 9 10.113 18.100 -21.623 73 HB3 PRO 9 HB3 PRO 9 9.928 17.935 -19.873 74 HG2 PRO 9 HG2 PRO 9 10.789 15.895 -21.887 75 HG3 PRO 9 HG3 PRO 9 11.459 16.233 -20.281 76 HD2 PRO 9 HD2 PRO 9 9.774 14.166 -20.751 77 HD3 PRO 9 HD3 PRO 9 9.812 15.034 -19.203 78 H ASP 10 H ASP 10 8.499 15.266 -22.814 79 HA ASP 10 HA ASP 10 8.026 17.023 -25.059 80 HB2 ASP 10 HB2 ASP 10 8.196 14.017 -25.179 81 HB3 ASP 10 HB3 ASP 10 8.588 15.186 -26.437 82 H GLY 11 H GLY 11 6.111 15.235 -22.932 83 HA2 GLY 11 HA2 GLY 11 3.711 15.566 -23.050 84 HA3 GLY 11 HA3 GLY 11 3.836 15.442 -24.798 85 H SER 12 H SER 12 5.811 13.199 -23.244 86 HA SER 12 HA SER 12 4.081 11.032 -24.076 87 HB2 SER 12 HB2 SER 12 6.715 11.242 -24.247 88 HB3 SER 12 HB3 SER 12 6.651 10.556 -22.624 89 HG SER 12 HG SER 12 6.452 9.280 -24.921 90 H ARG 13 H ARG 13 4.591 9.030 -22.321 91 HA ARG 13 HA ARG 13 4.078 9.844 -19.611 92 HB2 ARG 13 HB2 ARG 13 1.882 8.694 -19.454 93 HB3 ARG 13 HB3 ARG 13 1.842 10.124 -20.477 94 HG2 ARG 13 HG2 ARG 13 2.292 8.366 -22.382 95 HG3 ARG 13 HG3 ARG 13 1.579 7.258 -21.209 96 HD2 ARG 13 HD2 ARG 13 0.246 9.852 -21.901 97 HD3 ARG 13 HD3 ARG 13 0.033 8.423 -22.911 98 HE ARG 13 HE ARG 13 -0.482 7.939 -20.130 99 HH11 ARG 13 HH11 ARG 13 -1.839 9.079 -23.127 100 HH12 ARG 13 HH12 ARG 13 -3.473 8.722 -22.673 101 HH21 ARG 13 HH21 ARG 13 -2.629 7.466 -19.522 102 HH22 ARG 13 HH22 ARG 13 -3.921 7.806 -20.622 103 H LYS 14 H LYS 14 4.667 8.291 -18.190 104 HA LYS 14 HA LYS 14 5.318 5.640 -19.301 105 HB2 LYS 14 HB2 LYS 14 6.728 7.305 -17.224 106 HB3 LYS 14 HB3 LYS 14 7.010 5.575 -17.376 107 HG2 LYS 14 HG2 LYS 14 8.699 6.356 -18.679 108 HG3 LYS 14 HG3 LYS 14 7.432 6.218 -19.899 109 HD2 LYS 14 HD2 LYS 14 6.941 8.708 -19.040 110 HD3 LYS 14 HD3 LYS 14 8.672 8.626 -18.706 111 HE2 LYS 14 HE2 LYS 14 7.721 7.668 -21.351 112 HE3 LYS 14 HE3 LYS 14 7.716 9.406 -21.058 113 HZ1 LYS 14 HZ1 LYS 14 9.896 7.729 -21.668 114 HZ2 LYS 14 HZ2 LYS 14 10.155 8.438 -20.154 115 HZ3 LYS 14 HZ3 LYS 14 9.869 9.413 -21.506 116 H THR 15 H THR 15 4.779 3.821 -18.135 117 HA THR 15 HA THR 15 3.065 4.273 -15.778 118 HB THR 15 HB THR 15 2.809 1.924 -17.652 119 HG1 THR 15 HG1 THR 15 2.393 4.125 -18.596 120 HG21 THR 15 HG21 THR 15 1.771 1.459 -15.585 121 HG22 THR 15 HG22 THR 15 0.464 1.975 -16.650 122 HG23 THR 15 HG23 THR 15 1.119 3.092 -15.453 123 H TYR 16 H TYR 16 4.057 3.630 -13.987 124 HA TYR 16 HA TYR 16 5.292 0.995 -13.908 125 HB2 TYR 16 HB2 TYR 16 6.754 3.568 -13.419 126 HB3 TYR 16 HB3 TYR 16 7.227 2.107 -12.558 127 HD1 TYR 16 HD2 TYR 16 6.907 3.642 -15.902 128 HD2 TYR 16 HD1 TYR 16 8.443 0.376 -13.649 129 HE1 TYR 16 HE2 TYR 16 8.251 2.944 -17.841 130 HE2 TYR 16 HE1 TYR 16 9.792 -0.331 -15.581 131 HH TYR 16 HH TYR 16 10.777 0.802 -17.650 132 H GLU 17 H GLU 17 4.825 -0.042 -12.070 133 HA GLU 17 HA GLU 17 3.123 1.170 -10.139 134 HB2 GLU 17 HB2 GLU 17 4.447 -1.516 -10.374 135 HB3 GLU 17 HB3 GLU 17 3.591 -1.065 -8.906 136 HG2 GLU 17 HG2 GLU 17 1.548 -1.140 -9.901 137 HG3 GLU 17 HG3 GLU 17 2.181 -0.710 -11.489 138 H ALA 18 H ALA 18 3.678 2.356 -8.446 139 HA ALA 18 HA ALA 18 6.453 2.243 -7.487 140 HB1 ALA 18 HB1 ALA 18 4.805 4.400 -8.135 141 HB2 ALA 18 HB2 ALA 18 4.918 4.410 -6.375 142 HB3 ALA 18 HB3 ALA 18 6.385 4.459 -7.352 143 H TYR 19 H TYR 19 6.699 2.722 -5.094 144 HA TYR 19 HA TYR 19 4.656 1.232 -3.579 145 HB2 TYR 19 HB2 TYR 19 7.520 0.845 -3.798 146 HB3 TYR 19 HB3 TYR 19 7.040 1.101 -2.124 147 HD1 TYR 19 HD1 TYR 19 6.480 -1.026 -5.100 148 HD2 TYR 19 HD2 TYR 19 5.904 -0.586 -0.907 149 HE1 TYR 19 HE1 TYR 19 5.743 -3.368 -4.961 150 HE2 TYR 19 HE2 TYR 19 5.167 -2.927 -0.756 151 HH TYR 19 HH TYR 19 5.723 -5.143 -2.448 152 H ASP 20 H ASP 20 5.240 1.674 -1.060 153 HA ASP 20 HA ASP 20 4.672 4.490 -0.718 154 HB2 ASP 20 HB2 ASP 20 5.014 2.555 1.551 155 HB3 ASP 20 HB3 ASP 20 3.951 3.955 1.438 156 H GLY 21 H GLY 21 6.315 5.881 -0.675 157 HA2 GLY 21 HA2 GLY 21 8.266 6.899 -0.014 158 HA3 GLY 21 HA3 GLY 21 8.311 5.764 1.327 159 H GLU 22 H GLU 22 8.123 4.202 -1.661 160 HA GLU 22 HA GLU 22 10.904 3.372 -1.423 161 HB2 GLU 22 HB2 GLU 22 9.054 1.707 -1.704 162 HB3 GLU 22 HB3 GLU 22 8.783 2.351 -3.318 163 HG2 GLU 22 HG2 GLU 22 10.636 1.375 -4.175 164 HG3 GLU 22 HG3 GLU 22 11.535 1.495 -2.664 165 H THR 23 H THR 23 12.475 4.174 -2.641 166 HA THR 23 HA THR 23 11.920 6.112 -4.677 167 HB THR 23 HB THR 23 13.862 6.469 -3.311 168 HG1 THR 23 HG1 THR 23 15.011 7.137 -4.972 169 HG21 THR 23 HG21 THR 23 14.663 4.475 -2.517 170 HG22 THR 23 HG22 THR 23 15.833 4.768 -3.804 171 HG23 THR 23 HG23 THR 23 14.487 3.661 -4.070 172 H LEU 24 H LEU 24 12.861 6.002 -6.859 173 HA LEU 24 HA LEU 24 11.943 3.823 -8.312 174 HB2 LEU 24 HB2 LEU 24 13.303 6.276 -8.839 175 HB3 LEU 24 HB3 LEU 24 14.071 4.989 -9.767 176 HG LEU 24 HG LEU 24 12.410 6.066 -11.128 177 HD11 LEU 24 HD11 LEU 24 11.139 3.488 -10.275 178 HD12 LEU 24 HD12 LEU 24 12.694 3.520 -11.106 179 HD13 LEU 24 HD13 LEU 24 11.261 4.185 -11.891 180 HD21 LEU 24 HD21 LEU 24 9.965 5.811 -10.385 181 HD22 LEU 24 HD22 LEU 24 10.929 7.090 -9.647 182 HD23 LEU 24 HD23 LEU 24 10.626 5.593 -8.764 183 H LEU 25 H LEU 25 15.042 4.373 -6.804 184 HA LEU 25 HA LEU 25 16.629 2.524 -8.127 185 HB2 LEU 25 HB2 LEU 25 16.647 3.203 -5.190 186 HB3 LEU 25 HB3 LEU 25 17.956 2.417 -6.069 187 HG LEU 25 HG LEU 25 16.987 5.162 -6.811 188 HD11 LEU 25 HD11 LEU 25 18.303 4.401 -4.383 189 HD12 LEU 25 HD12 LEU 25 17.793 6.000 -4.924 190 HD13 LEU 25 HD13 LEU 25 19.384 5.384 -5.370 191 HD21 LEU 25 HD21 LEU 25 18.344 4.321 -8.500 192 HD22 LEU 25 HD22 LEU 25 19.406 3.483 -7.367 193 HD23 LEU 25 HD23 LEU 25 19.471 5.241 -7.502 194 H SER 26 H SER 26 14.592 2.016 -5.252 195 HA SER 26 HA SER 26 15.136 -0.725 -4.959 196 HB2 SER 26 HB2 SER 26 13.122 1.177 -3.922 197 HB3 SER 26 HB3 SER 26 12.643 -0.520 -3.911 198 HG SER 26 HG SER 26 14.681 -0.918 -2.814 199 H LEU 27 H LEU 27 13.009 1.003 -7.084 200 HA LEU 27 HA LEU 27 11.173 -0.990 -7.740 201 HB2 LEU 27 HB2 LEU 27 11.416 1.537 -8.457 202 HB3 LEU 27 HB3 LEU 27 12.201 0.824 -9.865 203 HG LEU 27 HG LEU 27 10.025 -0.609 -10.005 204 HD11 LEU 27 HD11 LEU 27 8.459 1.618 -9.078 205 HD12 LEU 27 HD12 LEU 27 9.426 0.946 -7.765 206 HD13 LEU 27 HD13 LEU 27 8.328 -0.094 -8.673 207 HD21 LEU 27 HD21 LEU 27 9.516 0.687 -11.759 208 HD22 LEU 27 HD22 LEU 27 10.956 1.599 -11.306 209 HD23 LEU 27 HD23 LEU 27 9.364 2.138 -10.768 210 H ALA 28 H ALA 28 14.408 -0.349 -9.003 211 HA ALA 28 HA ALA 28 14.464 -2.074 -11.161 212 HB1 ALA 28 HB1 ALA 28 16.298 -0.611 -10.808 213 HB2 ALA 28 HB2 ALA 28 16.642 -1.314 -9.228 214 HB3 ALA 28 HB3 ALA 28 16.929 -2.254 -10.693 215 H HIS 29 H HIS 29 14.578 -2.799 -7.752 216 HA HIS 29 HA HIS 29 15.567 -5.441 -7.938 217 HB2 HIS 29 HB2 HIS 29 13.778 -4.208 -5.832 218 HB3 HIS 29 HB3 HIS 29 14.659 -5.724 -5.664 219 HD1 HIS 29 HD1 HIS 29 15.233 -3.610 -3.623 220 HD2 HIS 29 HD2 HIS 29 17.304 -3.865 -7.216 221 HE1 HIS 29 HE1 HIS 29 17.418 -2.429 -3.225 222 H ARG 30 H ARG 30 12.228 -4.284 -7.430 223 HA ARG 30 HA ARG 30 11.058 -6.834 -7.825 224 HB2 ARG 30 HB2 ARG 30 8.926 -5.619 -7.916 225 HB3 ARG 30 HB3 ARG 30 9.919 -5.079 -6.569 226 HG2 ARG 30 HG2 ARG 30 10.544 -3.087 -7.758 227 HG3 ARG 30 HG3 ARG 30 9.709 -3.648 -9.208 228 HD2 ARG 30 HD2 ARG 30 8.368 -3.114 -6.561 229 HD3 ARG 30 HD3 ARG 30 8.433 -1.963 -7.895 230 HE ARG 30 HE ARG 30 6.742 -4.279 -7.681 231 HH11 ARG 30 HH11 ARG 30 8.259 -2.027 -9.859 232 HH12 ARG 30 HH12 ARG 30 7.109 -2.280 -11.130 233 HH21 ARG 30 HH21 ARG 30 5.221 -4.621 -9.347 234 HH22 ARG 30 HH22 ARG 30 5.381 -3.755 -10.837 235 H ASN 31 H ASN 31 12.040 -4.300 -9.977 236 HA ASN 31 HA ASN 31 10.468 -5.202 -12.209 237 HB2 ASN 31 HB2 ASN 31 11.316 -2.825 -11.826 238 HB3 ASN 31 HB3 ASN 31 12.894 -3.413 -12.340 239 HD21 ASN 31 HD21 ASN 31 9.596 -2.830 -13.321 240 HD22 ASN 31 HD22 ASN 31 9.896 -2.835 -15.022 241 H ASN 32 H ASN 32 13.496 -6.030 -10.813 242 HA ASN 32 HA ASN 32 15.070 -7.581 -11.347 243 HB2 ASN 32 HB2 ASN 32 13.256 -8.558 -13.546 244 HB3 ASN 32 HB3 ASN 32 14.429 -9.478 -12.608 245 HD21 ASN 32 HD21 ASN 32 11.218 -8.730 -12.973 246 HD22 ASN 32 HD22 ASN 32 10.636 -9.267 -11.437 247 H VAL 33 H VAL 33 15.123 -4.991 -12.594 248 HA VAL 33 HA VAL 33 16.263 -5.578 -15.238 249 HB VAL 33 HB VAL 33 14.525 -3.811 -15.121 250 HG11 VAL 33 HG11 VAL 33 15.308 -3.040 -12.816 251 HG12 VAL 33 HG12 VAL 33 16.536 -2.112 -13.678 252 HG13 VAL 33 HG13 VAL 33 14.825 -1.794 -13.966 253 HG21 VAL 33 HG21 VAL 33 16.738 -3.861 -16.626 254 HG22 VAL 33 HG22 VAL 33 15.514 -2.598 -16.762 255 HG23 VAL 33 HG23 VAL 33 16.976 -2.311 -15.819 256 H ASP 34 H ASP 34 18.320 -4.799 -15.816 257 HA ASP 34 HA ASP 34 20.168 -4.636 -13.576 258 HB2 ASP 34 HB2 ASP 34 20.783 -4.706 -16.536 259 HB3 ASP 34 HB3 ASP 34 21.916 -4.979 -15.215 260 H LEU 35 H LEU 35 20.878 -2.773 -12.795 261 HA LEU 35 HA LEU 35 20.845 -0.408 -14.554 262 HB2 LEU 35 HB2 LEU 35 20.366 0.962 -12.635 263 HB3 LEU 35 HB3 LEU 35 19.154 -0.310 -12.774 264 HG LEU 35 HG LEU 35 21.487 -0.641 -10.925 265 HD11 LEU 35 HD11 LEU 35 20.073 0.309 -9.126 266 HD12 LEU 35 HD12 LEU 35 18.949 0.881 -10.358 267 HD13 LEU 35 HD13 LEU 35 20.598 1.504 -10.312 268 HD21 LEU 35 HD21 LEU 35 19.240 -2.173 -11.638 269 HD22 LEU 35 HD22 LEU 35 18.948 -1.588 -10.000 270 HD23 LEU 35 HD23 LEU 35 20.414 -2.500 -10.363 271 H GLU 36 H GLU 36 22.324 1.379 -13.528 272 HA GLU 36 HA GLU 36 24.975 0.394 -13.638 273 HB2 GLU 36 HB2 GLU 36 24.281 2.670 -14.368 274 HB3 GLU 36 HB3 GLU 36 24.033 3.102 -12.682 275 HG2 GLU 36 HG2 GLU 36 26.138 3.959 -13.284 276 HG3 GLU 36 HG3 GLU 36 26.451 2.535 -12.294 277 H GLY 37 H GLY 37 23.542 2.290 -10.978 278 HA2 GLY 37 HA2 GLY 37 24.452 0.356 -9.021 279 HA3 GLY 37 HA3 GLY 37 25.326 1.880 -9.006 280 H ALA 38 H ALA 38 23.968 1.056 -6.776 281 HA ALA 38 HA ALA 38 21.796 3.035 -6.659 282 HB1 ALA 38 HB1 ALA 38 20.422 1.596 -5.341 283 HB2 ALA 38 HB2 ALA 38 20.893 0.708 -6.791 284 HB3 ALA 38 HB3 ALA 38 21.690 0.373 -5.253 285 H CYS 39 H CYS 39 22.641 4.598 -5.428 286 HA CYS 39 HA CYS 39 24.289 3.888 -3.118 287 HB2 CYS 39 HB2 CYS 39 25.089 5.621 -4.725 288 HB3 CYS 39 HB3 CYS 39 23.714 6.623 -4.274 289 HG CYS 39 HG CYS 39 26.536 6.956 -3.058 290 H GLU 40 H GLU 40 23.470 3.840 -1.138 291 HA GLU 40 HA GLU 40 21.386 5.687 -0.342 292 HB2 GLU 40 HB2 GLU 40 19.904 3.888 0.506 293 HB3 GLU 40 HB3 GLU 40 20.035 3.902 -1.247 294 HG2 GLU 40 HG2 GLU 40 20.211 1.666 -0.804 295 HG3 GLU 40 HG3 GLU 40 21.909 2.139 -0.842 296 H GLY 41 H GLY 41 20.922 5.541 2.005 297 HA2 GLY 41 HA2 GLY 41 21.880 4.186 4.019 298 HA3 GLY 41 HA3 GLY 41 23.394 4.858 3.432 299 H SER 42 H SER 42 20.144 6.268 3.779 300 HA SER 42 HA SER 42 21.119 8.055 5.859 301 HB2 SER 42 HB2 SER 42 19.747 9.327 3.514 302 HB3 SER 42 HB3 SER 42 20.798 10.063 4.725 303 HG SER 42 HG SER 42 22.089 9.896 2.999 304 H LEU 43 H LEU 43 19.544 8.717 7.243 305 HA LEU 43 HA LEU 43 16.746 8.264 6.516 306 HB2 LEU 43 HB2 LEU 43 17.961 7.259 9.083 307 HB3 LEU 43 HB3 LEU 43 16.282 7.091 8.574 308 HG LEU 43 HG LEU 43 18.424 5.888 6.884 309 HD11 LEU 43 HD11 LEU 43 17.548 3.880 8.624 310 HD12 LEU 43 HD12 LEU 43 18.011 5.237 9.650 311 HD13 LEU 43 HD13 LEU 43 19.168 4.566 8.501 312 HD21 LEU 43 HD21 LEU 43 16.707 4.332 6.319 313 HD22 LEU 43 HD22 LEU 43 16.010 5.950 6.231 314 HD23 LEU 43 HD23 LEU 43 15.669 4.916 7.620 315 H ALA 44 H ALA 44 15.558 9.976 7.025 316 HA ALA 44 HA ALA 44 16.215 11.541 9.407 317 HB1 ALA 44 HB1 ALA 44 16.123 12.601 6.604 318 HB2 ALA 44 HB2 ALA 44 15.791 13.640 7.991 319 HB3 ALA 44 HB3 ALA 44 17.356 12.840 7.842 320 H CYS 45 H CYS 45 14.466 13.115 9.942 321 HA CYS 45 HA CYS 45 11.848 12.016 9.161 322 HB2 CYS 45 HB2 CYS 45 12.794 11.934 11.636 323 HB3 CYS 45 HB3 CYS 45 12.190 13.586 11.677 324 HG CYS 45 HG CYS 45 10.053 11.230 10.548 325 H SER 46 H SER 46 10.028 13.584 9.295 326 HA SER 46 HA SER 46 10.500 16.378 9.224 327 HB2 SER 46 HB2 SER 46 9.916 16.687 6.782 328 HB3 SER 46 HB3 SER 46 11.519 16.018 7.087 329 HG SER 46 HG SER 46 10.256 13.903 6.867 330 H THR 47 H THR 47 8.498 17.521 8.206 331 HA THR 47 HA THR 47 6.136 16.091 9.203 332 HB THR 47 HB THR 47 6.659 18.293 10.229 333 HG1 THR 47 HG1 THR 47 4.471 17.511 10.067 334 HG21 THR 47 HG21 THR 47 7.610 19.439 8.319 335 HG22 THR 47 HG22 THR 47 6.204 20.333 8.899 336 HG23 THR 47 HG23 THR 47 6.077 19.331 7.454 337 H CYS 48 H CYS 48 7.503 17.571 6.366 338 HA CYS 48 HA CYS 48 5.039 16.942 4.876 339 HB2 CYS 48 HB2 CYS 48 5.961 19.387 5.023 340 HB3 CYS 48 HB3 CYS 48 7.127 18.824 3.833 341 HG CYS 48 HG CYS 48 5.370 18.357 1.831 342 H HIS 49 H HIS 49 6.589 14.822 5.305 343 HA HIS 49 HA HIS 49 8.586 14.477 3.264 344 HB2 HIS 49 HB2 HIS 49 8.389 13.322 5.606 345 HB3 HIS 49 HB3 HIS 49 7.343 12.191 4.753 346 HD1 HIS 49 HD1 HIS 49 10.897 13.197 5.143 347 HD2 HIS 49 HD2 HIS 49 8.650 10.573 2.835 348 HE1 HIS 49 HE1 HIS 49 12.564 11.650 4.069 349 H VAL 50 H VAL 50 7.085 15.115 1.502 350 HA VAL 50 HA VAL 50 5.834 12.719 0.380 351 HB VAL 50 HB VAL 50 3.930 14.154 -0.467 352 HG11 VAL 50 HG11 VAL 50 3.695 12.510 1.352 353 HG12 VAL 50 HG12 VAL 50 4.094 13.770 2.521 354 HG13 VAL 50 HG13 VAL 50 2.623 13.895 1.557 355 HG21 VAL 50 HG21 VAL 50 3.643 16.292 0.172 356 HG22 VAL 50 HG22 VAL 50 4.225 15.990 1.809 357 HG23 VAL 50 HG23 VAL 50 5.376 16.238 0.496 358 H ILE 51 H ILE 51 5.372 12.961 -1.958 359 HA ILE 51 HA ILE 51 7.053 14.983 -3.267 360 HB ILE 51 HB ILE 51 8.504 13.164 -3.383 361 HG12 ILE 51 HG12 ILE 51 6.841 12.849 -5.888 362 HG13 ILE 51 HG13 ILE 51 7.954 14.184 -5.611 363 HG21 ILE 51 HG21 ILE 51 7.803 10.869 -3.927 364 HG22 ILE 51 HG22 ILE 51 7.031 11.477 -2.463 365 HG23 ILE 51 HG23 ILE 51 6.125 11.409 -3.975 366 HD11 ILE 51 HD11 ILE 51 9.422 12.889 -6.681 367 HD12 ILE 51 HD12 ILE 51 9.551 12.038 -5.141 368 HD13 ILE 51 HD13 ILE 51 8.482 11.424 -6.402 369 H ILE 52 H ILE 52 5.686 16.144 -4.451 370 HA ILE 52 HA ILE 52 3.756 14.712 -6.149 371 HB ILE 52 HB ILE 52 2.383 16.947 -5.841 372 HG12 ILE 52 HG12 ILE 52 2.508 17.769 -3.524 373 HG13 ILE 52 HG13 ILE 52 3.864 16.691 -3.213 374 HG21 ILE 52 HG21 ILE 52 1.486 15.678 -3.624 375 HG22 ILE 52 HG22 ILE 52 1.111 15.183 -5.274 376 HG23 ILE 52 HG23 ILE 52 2.417 14.392 -4.392 377 HD11 ILE 52 HD11 ILE 52 4.126 19.271 -3.892 378 HD12 ILE 52 HD12 ILE 52 5.336 18.038 -4.246 379 HD13 ILE 52 HD13 ILE 52 4.185 18.526 -5.489 380 H ASP 53 H ASP 53 3.047 15.968 -8.039 381 HA ASP 53 HA ASP 53 5.131 16.874 -9.595 382 HB2 ASP 53 HB2 ASP 53 3.187 18.115 -10.865 383 HB3 ASP 53 HB3 ASP 53 3.257 16.355 -10.838 384 HA PRO 54 HA PRO 54 6.055 21.019 -8.500 385 HB2 PRO 54 HB2 PRO 54 6.410 22.207 -10.915 386 HB3 PRO 54 HB3 PRO 54 7.559 21.047 -10.237 387 HG2 PRO 54 HG2 PRO 54 5.410 20.615 -12.277 388 HG3 PRO 54 HG3 PRO 54 7.075 20.005 -12.259 389 HD2 PRO 54 HD2 PRO 54 4.959 18.483 -11.528 390 HD3 PRO 54 HD3 PRO 54 6.567 18.295 -10.800 391 H SER 55 H SER 55 3.294 20.365 -10.452 392 HA SER 55 HA SER 55 2.311 23.048 -10.597 393 HB2 SER 55 HB2 SER 55 1.708 21.106 -12.151 394 HB3 SER 55 HB3 SER 55 0.643 20.547 -10.861 395 HG SER 55 HG SER 55 -0.191 22.831 -10.982 396 H TRP 56 H TRP 56 2.188 20.507 -8.265 397 HA TRP 56 HA TRP 56 0.108 21.923 -6.745 398 HB2 TRP 56 HB2 TRP 56 1.138 19.093 -6.634 399 HB3 TRP 56 HB3 TRP 56 0.159 19.778 -5.339 400 HD1 TRP 56 HD1 TRP 56 -0.495 20.395 -9.087 401 HE1 TRP 56 HE1 TRP 56 -2.814 19.441 -9.668 402 HE3 TRP 56 HE3 TRP 56 -1.596 18.166 -4.620 403 HZ2 TRP 56 HZ2 TRP 56 -4.842 17.943 -8.399 404 HZ3 TRP 56 HZ3 TRP 56 -3.747 16.993 -4.386 405 HH2 TRP 56 HH2 TRP 56 -5.335 16.886 -6.237 406 H TYR 57 H TYR 57 3.462 21.168 -6.807 407 HA TYR 57 HA TYR 57 4.189 21.241 -4.143 408 HB2 TYR 57 HB2 TYR 57 5.822 20.737 -5.835 409 HB3 TYR 57 HB3 TYR 57 5.633 22.328 -6.565 410 HD1 TYR 57 HD2 TYR 57 6.537 20.809 -3.269 411 HD2 TYR 57 HD1 TYR 57 7.226 23.925 -6.083 412 HE1 TYR 57 HE2 TYR 57 8.367 21.664 -1.866 413 HE2 TYR 57 HE1 TYR 57 9.059 24.788 -4.688 414 HH TYR 57 HH TYR 57 9.504 24.006 -1.548 415 H ASP 58 H ASP 58 3.926 24.002 -6.379 416 HA ASP 58 HA ASP 58 4.527 25.998 -4.506 417 HB2 ASP 58 HB2 ASP 58 4.467 26.282 -6.999 418 HB3 ASP 58 HB3 ASP 58 2.708 26.288 -6.903 419 H ILE 59 H ILE 59 1.591 24.251 -5.156 420 HA ILE 59 HA ILE 59 -0.162 26.055 -3.799 421 HB ILE 59 HB ILE 59 -0.543 23.137 -4.482 422 HG12 ILE 59 HG12 ILE 59 -1.672 25.557 -5.891 423 HG13 ILE 59 HG13 ILE 59 -0.172 24.779 -6.385 424 HG21 ILE 59 HG21 ILE 59 -2.460 25.226 -3.474 425 HG22 ILE 59 HG22 ILE 59 -2.980 23.730 -4.248 426 HG23 ILE 59 HG23 ILE 59 -2.063 23.671 -2.742 427 HD11 ILE 59 HD11 ILE 59 -2.969 23.870 -6.673 428 HD12 ILE 59 HD12 ILE 59 -1.599 23.709 -7.772 429 HD13 ILE 59 HD13 ILE 59 -1.742 22.639 -6.378 430 H VAL 60 H VAL 60 1.265 22.909 -2.930 431 HA VAL 60 HA VAL 60 0.220 22.849 -0.305 432 HB VAL 60 HB VAL 60 1.941 21.114 0.131 433 HG11 VAL 60 HG11 VAL 60 1.048 20.120 -2.419 434 HG12 VAL 60 HG12 VAL 60 0.532 19.664 -0.794 435 HG13 VAL 60 HG13 VAL 60 -0.238 21.021 -1.617 436 HG21 VAL 60 HG21 VAL 60 3.418 20.396 -1.665 437 HG22 VAL 60 HG22 VAL 60 2.818 21.693 -2.699 438 HG23 VAL 60 HG23 VAL 60 3.733 22.079 -1.241 439 H GLU 61 H GLU 61 2.937 24.453 -1.713 440 HA GLU 61 HA GLU 61 4.365 24.843 0.750 441 HB2 GLU 61 HB2 GLU 61 5.651 24.823 -1.267 442 HB3 GLU 61 HB3 GLU 61 4.640 26.062 -1.996 443 HG2 GLU 61 HG2 GLU 61 5.534 27.750 -0.647 444 HG3 GLU 61 HG3 GLU 61 6.234 26.593 0.484 445 H GLN 62 H GLN 62 1.981 26.598 -1.113 446 HA GLN 62 HA GLN 62 2.231 28.967 0.552 447 HB2 GLN 62 HB2 GLN 62 0.621 29.979 -0.918 448 HB3 GLN 62 HB3 GLN 62 1.812 29.136 -1.900 449 HG2 GLN 62 HG2 GLN 62 0.301 27.344 -2.327 450 HG3 GLN 62 HG3 GLN 62 -0.860 27.975 -1.161 451 HE21 GLN 62 HE21 GLN 62 0.486 28.303 -4.336 452 HE22 GLN 62 HE22 GLN 62 -0.685 29.418 -4.944 453 H HIS 63 H HIS 63 0.193 26.168 0.207 454 HA HIS 63 HA HIS 63 -1.973 27.168 1.785 455 HB2 HIS 63 HB2 HIS 63 -1.225 24.555 0.578 456 HB3 HIS 63 HB3 HIS 63 -2.351 24.523 1.932 457 HD1 HIS 63 HD1 HIS 63 -2.024 26.378 -1.380 458 HD2 HIS 63 HD2 HIS 63 -4.918 24.794 1.145 459 HE1 HIS 63 HE1 HIS 63 -4.215 26.726 -2.566 460 H ASN 64 H ASN 64 1.056 25.628 2.449 461 HA ASN 64 HA ASN 64 0.312 25.409 5.292 462 HB2 ASN 64 HB2 ASN 64 1.993 23.692 3.530 463 HB3 ASN 64 HB3 ASN 64 2.479 23.858 5.215 464 HD21 ASN 64 HD21 ASN 64 1.394 21.578 3.653 465 HD22 ASN 64 HD22 ASN 64 0.028 21.027 4.556 466 H GLU 65 H GLU 65 1.265 26.799 6.615 467 HA GLU 65 HA GLU 65 3.167 28.688 5.743 468 HB2 GLU 65 HB2 GLU 65 3.313 29.332 8.129 469 HB3 GLU 65 HB3 GLU 65 1.655 29.202 7.561 470 HG2 GLU 65 HG2 GLU 65 1.905 26.748 8.509 471 HG3 GLU 65 HG3 GLU 65 3.134 27.525 9.505 472 H ILE 66 H ILE 66 5.330 29.028 6.609 473 HA ILE 66 HA ILE 66 6.703 26.503 7.261 474 HB ILE 66 HB ILE 66 8.692 27.843 6.075 475 HG12 ILE 66 HG12 ILE 66 7.785 28.883 3.988 476 HG13 ILE 66 HG13 ILE 66 6.169 28.755 4.676 477 HG21 ILE 66 HG21 ILE 66 8.637 26.032 4.792 478 HG22 ILE 66 HG22 ILE 66 7.060 25.650 5.480 479 HG23 ILE 66 HG23 ILE 66 7.168 26.586 3.989 480 HD11 ILE 66 HD11 ILE 66 7.651 30.955 4.851 481 HD12 ILE 66 HD12 ILE 66 6.491 30.483 6.093 482 HD13 ILE 66 HD13 ILE 66 8.206 30.134 6.310 483 H SER 67 H SER 67 8.279 26.567 8.809 484 HA SER 67 HA SER 67 8.233 28.807 10.603 485 HB2 SER 67 HB2 SER 67 9.679 26.162 10.609 486 HB3 SER 67 HB3 SER 67 9.981 27.389 11.839 487 HG SER 67 HG SER 67 7.922 25.657 11.625 488 H ASP 68 H ASP 68 10.465 29.490 11.552 489 HA ASP 68 HA ASP 68 11.828 30.915 9.529 490 HB2 ASP 68 HB2 ASP 68 11.747 31.851 11.729 491 HB3 ASP 68 HB3 ASP 68 12.482 30.414 12.434 492 H GLU 69 H GLU 69 12.432 27.861 11.119 493 HA GLU 69 HA GLU 69 15.107 27.608 10.066 494 HB2 GLU 69 HB2 GLU 69 15.059 25.369 11.068 495 HB3 GLU 69 HB3 GLU 69 14.556 26.600 12.218 496 HG2 GLU 69 HG2 GLU 69 12.189 26.013 11.695 497 HG3 GLU 69 HG3 GLU 69 12.797 24.668 10.730 498 H GLU 70 H GLU 70 11.893 26.373 9.315 499 HA GLU 70 HA GLU 70 12.725 24.536 7.319 500 HB2 GLU 70 HB2 GLU 70 10.505 24.536 8.526 501 HB3 GLU 70 HB3 GLU 70 10.034 25.890 7.508 502 HG2 GLU 70 HG2 GLU 70 9.138 24.168 6.325 503 HG3 GLU 70 HG3 GLU 70 10.729 24.262 5.572 504 H ASN 71 H ASN 71 11.116 27.708 7.012 505 HA ASN 71 HA ASN 71 11.336 27.942 4.249 506 HB2 ASN 71 HB2 ASN 71 9.899 29.470 5.322 507 HB3 ASN 71 HB3 ASN 71 11.148 29.987 6.451 508 HD21 ASN 71 HD21 ASN 71 10.506 29.874 2.965 509 HD22 ASN 71 HD22 ASN 71 11.181 31.426 2.618 510 H ASP 72 H ASP 72 13.706 28.410 6.737 511 HA ASP 72 HA ASP 72 15.548 29.866 5.064 512 HB2 ASP 72 HB2 ASP 72 15.579 30.263 7.459 513 HB3 ASP 72 HB3 ASP 72 15.898 28.558 7.769 514 H MET 73 H MET 73 15.356 26.570 6.384 515 HA MET 73 HA MET 73 17.716 25.565 5.312 516 HB2 MET 73 HB2 MET 73 15.973 24.496 6.936 517 HB3 MET 73 HB3 MET 73 15.248 23.869 5.461 518 HG2 MET 73 HG2 MET 73 16.624 22.143 6.074 519 HG3 MET 73 HG3 MET 73 17.648 23.031 4.947 520 HE1 MET 73 HE1 MET 73 18.677 21.701 8.991 521 HE2 MET 73 HE2 MET 73 17.102 22.494 9.028 522 HE3 MET 73 HE3 MET 73 17.408 21.193 7.876 523 H LEU 74 H LEU 74 14.706 26.308 3.776 524 HA LEU 74 HA LEU 74 14.754 24.678 1.539 525 HB2 LEU 74 HB2 LEU 74 12.879 26.111 2.054 526 HB3 LEU 74 HB3 LEU 74 13.865 27.547 1.787 527 HG LEU 74 HG LEU 74 14.092 26.454 -0.632 528 HD11 LEU 74 HD11 LEU 74 12.155 25.315 -1.350 529 HD12 LEU 74 HD12 LEU 74 11.313 25.632 0.166 530 HD13 LEU 74 HD13 LEU 74 12.671 24.507 0.131 531 HD21 LEU 74 HD21 LEU 74 11.633 27.978 0.208 532 HD22 LEU 74 HD22 LEU 74 12.408 27.976 -1.376 533 HD23 LEU 74 HD23 LEU 74 13.226 28.708 0.005 534 H ASP 75 H ASP 75 16.527 27.650 2.183 535 HA ASP 75 HA ASP 75 17.539 28.079 -0.403 536 HB2 ASP 75 HB2 ASP 75 17.602 29.681 1.569 537 HB3 ASP 75 HB3 ASP 75 18.983 28.759 2.159 538 H LEU 76 H LEU 76 18.446 25.858 2.102 539 HA LEU 76 HA LEU 76 20.968 25.198 0.802 540 HB2 LEU 76 HB2 LEU 76 19.654 24.436 3.375 541 HB3 LEU 76 HB3 LEU 76 20.957 23.441 2.728 542 HG LEU 76 HG LEU 76 21.809 24.979 4.394 543 HD11 LEU 76 HD11 LEU 76 23.036 24.421 2.176 544 HD12 LEU 76 HD12 LEU 76 23.672 25.684 3.229 545 HD13 LEU 76 HD13 LEU 76 22.743 26.118 1.794 546 HD21 LEU 76 HD21 LEU 76 19.987 26.696 3.958 547 HD22 LEU 76 HD22 LEU 76 20.986 27.262 2.620 548 HD23 LEU 76 HD23 LEU 76 21.607 27.319 4.270 549 H ALA 77 H ALA 77 18.003 24.568 -0.045 550 HA ALA 77 HA ALA 77 17.683 21.790 -0.102 551 HB1 ALA 77 HB1 ALA 77 16.209 22.257 -2.100 552 HB2 ALA 77 HB2 ALA 77 15.810 23.135 -0.623 553 HB3 ALA 77 HB3 ALA 77 16.667 23.952 -1.930 554 H PHE 78 H PHE 78 19.404 20.579 -0.720 555 HA PHE 78 HA PHE 78 20.291 20.892 -3.505 556 HB2 PHE 78 HB2 PHE 78 21.920 21.612 -1.517 557 HB3 PHE 78 HB3 PHE 78 22.255 19.884 -1.508 558 HD1 PHE 78 HD1 PHE 78 21.725 22.457 -4.163 559 HD2 PHE 78 HD2 PHE 78 24.193 19.362 -2.601 560 HE1 PHE 78 HE1 PHE 78 23.282 22.755 -6.044 561 HE2 PHE 78 HE2 PHE 78 25.756 19.655 -4.479 562 HZ PHE 78 HZ PHE 78 25.301 21.353 -6.204 563 H GLY 79 H GLY 79 20.266 19.068 -4.679 564 HA2 GLY 79 HA2 GLY 79 20.541 16.744 -5.037 565 HA3 GLY 79 HA3 GLY 79 20.328 16.478 -3.313 566 H LEU 80 H LEU 80 17.933 18.329 -3.409 567 HA LEU 80 HA LEU 80 16.021 16.255 -4.132 568 HB2 LEU 80 HB2 LEU 80 16.072 17.710 -1.963 569 HB3 LEU 80 HB3 LEU 80 15.258 18.901 -2.976 570 HG LEU 80 HG LEU 80 13.567 17.010 -3.453 571 HD11 LEU 80 HD11 LEU 80 13.575 15.129 -2.220 572 HD12 LEU 80 HD12 LEU 80 14.183 15.946 -0.781 573 HD13 LEU 80 HD13 LEU 80 15.297 15.475 -2.064 574 HD21 LEU 80 HD21 LEU 80 13.161 19.063 -2.113 575 HD22 LEU 80 HD22 LEU 80 13.681 18.181 -0.677 576 HD23 LEU 80 HD23 LEU 80 12.244 17.662 -1.559 577 H THR 81 H THR 81 14.062 16.803 -5.325 578 HA THR 81 HA THR 81 14.699 18.379 -7.667 579 HB THR 81 HB THR 81 12.287 17.605 -8.308 580 HG1 THR 81 HG1 THR 81 11.550 16.793 -6.392 581 HG21 THR 81 HG21 THR 81 14.869 16.248 -8.338 582 HG22 THR 81 HG22 THR 81 13.679 16.443 -9.626 583 HG23 THR 81 HG23 THR 81 13.504 15.137 -8.454 584 H ASP 82 H ASP 82 12.807 19.714 -8.603 585 HA ASP 82 HA ASP 82 12.162 21.736 -6.629 586 HB2 ASP 82 HB2 ASP 82 11.938 21.574 -9.624 587 HB3 ASP 82 HB3 ASP 82 11.152 22.870 -8.725 588 H THR 83 H THR 83 10.755 18.927 -7.452 589 HA THR 83 HA THR 83 8.007 19.958 -7.273 590 HB THR 83 HB THR 83 7.221 18.010 -8.293 591 HG1 THR 83 HG1 THR 83 9.727 16.840 -7.604 592 HG21 THR 83 HG21 THR 83 9.941 18.294 -9.562 593 HG22 THR 83 HG22 THR 83 8.640 19.463 -9.787 594 HG23 THR 83 HG23 THR 83 8.435 17.799 -10.332 595 H SER 84 H SER 84 10.430 18.218 -5.569 596 HA SER 84 HA SER 84 8.527 17.068 -3.682 597 HB2 SER 84 HB2 SER 84 10.621 15.857 -4.543 598 HB3 SER 84 HB3 SER 84 11.533 16.926 -3.477 599 HG SER 84 HG SER 84 10.456 14.687 -2.800 600 H ARG 85 H ARG 85 9.244 17.262 -1.292 601 HA ARG 85 HA ARG 85 9.671 20.121 -0.746 602 HB2 ARG 85 HB2 ARG 85 7.997 18.016 0.517 603 HB3 ARG 85 HB3 ARG 85 8.701 19.223 1.584 604 HG2 ARG 85 HG2 ARG 85 7.344 20.222 -0.844 605 HG3 ARG 85 HG3 ARG 85 6.327 19.522 0.418 606 HD2 ARG 85 HD2 ARG 85 7.920 21.080 1.921 607 HD3 ARG 85 HD3 ARG 85 7.926 22.005 0.420 608 HE ARG 85 HE ARG 85 5.305 21.530 0.800 609 HH11 ARG 85 HH11 ARG 85 7.799 22.774 2.887 610 HH12 ARG 85 HH12 ARG 85 6.716 23.766 3.806 611 HH21 ARG 85 HH21 ARG 85 3.870 22.832 2.002 612 HH22 ARG 85 HH22 ARG 85 4.481 23.797 3.303 613 H LEU 86 H LEU 86 11.207 20.788 0.697 614 HA LEU 86 HA LEU 86 13.537 19.346 1.009 615 HB2 LEU 86 HB2 LEU 86 13.379 21.762 1.316 616 HB3 LEU 86 HB3 LEU 86 12.459 21.519 2.800 617 HG LEU 86 HG LEU 86 15.196 20.353 2.605 618 HD11 LEU 86 HD11 LEU 86 15.342 22.701 1.766 619 HD12 LEU 86 HD12 LEU 86 16.246 22.395 3.248 620 HD13 LEU 86 HD13 LEU 86 14.698 23.236 3.319 621 HD21 LEU 86 HD21 LEU 86 14.514 21.719 5.034 622 HD22 LEU 86 HD22 LEU 86 14.860 20.010 4.772 623 HD23 LEU 86 HD23 LEU 86 13.216 20.617 4.575 624 H GLY 87 H GLY 87 14.238 17.790 2.340 625 HA2 GLY 87 HA2 GLY 87 14.336 16.888 4.611 626 HA3 GLY 87 HA3 GLY 87 12.608 17.185 4.728 627 H CYS 88 H CYS 88 14.388 15.727 2.040 628 HA CYS 88 HA CYS 88 13.795 13.045 2.675 629 HB2 CYS 88 HB2 CYS 88 12.009 12.572 1.100 630 HB3 CYS 88 HB3 CYS 88 11.477 13.805 2.237 631 HG CYS 88 HG CYS 88 10.429 14.436 -0.262 632 H GLN 89 H GLN 89 13.759 11.742 0.394 633 HA GLN 89 HA GLN 89 15.938 12.890 -1.222 634 HB2 GLN 89 HB2 GLN 89 16.390 10.862 0.407 635 HB3 GLN 89 HB3 GLN 89 15.670 9.933 -0.902 636 HG2 GLN 89 HG2 GLN 89 17.927 9.831 -1.370 637 HG3 GLN 89 HG3 GLN 89 17.370 11.144 -2.406 638 HE21 GLN 89 HE21 GLN 89 19.112 12.408 -2.544 639 HE22 GLN 89 HE22 GLN 89 19.937 13.113 -1.199 640 H ILE 90 H ILE 90 12.995 12.876 -1.609 641 HA ILE 90 HA ILE 90 11.518 12.659 -3.326 642 HB ILE 90 HB ILE 90 13.716 11.715 -5.132 643 HG12 ILE 90 HG12 ILE 90 13.273 14.551 -4.175 644 HG13 ILE 90 HG13 ILE 90 14.691 13.556 -3.862 645 HG21 ILE 90 HG21 ILE 90 11.442 11.844 -6.011 646 HG22 ILE 90 HG22 ILE 90 11.354 13.542 -5.544 647 HG23 ILE 90 HG23 ILE 90 12.493 13.028 -6.788 648 HD11 ILE 90 HD11 ILE 90 15.130 15.181 -5.603 649 HD12 ILE 90 HD12 ILE 90 15.199 13.542 -6.251 650 HD13 ILE 90 HD13 ILE 90 13.785 14.551 -6.553 651 H ILE 91 H ILE 91 10.780 10.783 -2.025 652 HA ILE 91 HA ILE 91 11.148 8.267 -3.517 653 HB ILE 91 HB ILE 91 10.424 7.183 -1.292 654 HG12 ILE 91 HG12 ILE 91 11.433 9.850 -0.279 655 HG13 ILE 91 HG13 ILE 91 9.771 9.281 -0.177 656 HG21 ILE 91 HG21 ILE 91 13.025 7.995 -0.575 657 HG22 ILE 91 HG22 ILE 91 12.539 6.527 -1.420 658 HG23 ILE 91 HG23 ILE 91 12.962 7.973 -2.337 659 HD11 ILE 91 HD11 ILE 91 10.202 8.226 1.715 660 HD12 ILE 91 HD12 ILE 91 11.541 7.347 0.975 661 HD13 ILE 91 HD13 ILE 91 11.817 8.935 1.690 662 H LEU 92 H LEU 92 9.392 8.079 -4.768 663 HA LEU 92 HA LEU 92 6.910 9.185 -4.473 664 HB2 LEU 92 HB2 LEU 92 7.329 6.410 -5.552 665 HB3 LEU 92 HB3 LEU 92 6.085 7.571 -6.009 666 HG LEU 92 HG LEU 92 8.434 8.883 -6.622 667 HD11 LEU 92 HD11 LEU 92 8.878 6.339 -7.997 668 HD12 LEU 92 HD12 LEU 92 9.247 6.309 -6.273 669 HD13 LEU 92 HD13 LEU 92 10.036 7.486 -7.323 670 HD21 LEU 92 HD21 LEU 92 6.223 7.581 -8.030 671 HD22 LEU 92 HD22 LEU 92 7.693 7.752 -8.990 672 HD23 LEU 92 HD23 LEU 92 6.941 9.174 -8.267 673 H THR 93 H THR 93 4.822 8.158 -3.934 674 HA THR 93 HA THR 93 4.908 6.022 -1.965 675 HB THR 93 HB THR 93 5.138 7.638 -0.342 676 HG1 THR 93 HG1 THR 93 3.303 6.895 0.453 677 HG21 THR 93 HG21 THR 93 4.145 9.888 -0.452 678 HG22 THR 93 HG22 THR 93 3.439 9.490 -2.018 679 HG23 THR 93 HG23 THR 93 5.191 9.563 -1.833 680 H LYS 94 H LYS 94 2.753 5.265 -1.360 681 HA LYS 94 HA LYS 94 1.065 4.954 -3.571 682 HB2 LYS 94 HB2 LYS 94 0.779 3.239 -2.079 683 HB3 LYS 94 HB3 LYS 94 0.916 4.292 -0.677 684 HG2 LYS 94 HG2 LYS 94 -1.322 4.997 -0.857 685 HG3 LYS 94 HG3 LYS 94 -1.481 4.330 -2.484 686 HD2 LYS 94 HD2 LYS 94 -0.704 2.353 -0.476 687 HD3 LYS 94 HD3 LYS 94 -2.276 3.095 -0.167 688 HE2 LYS 94 HE2 LYS 94 -1.763 2.276 -2.953 689 HE3 LYS 94 HE3 LYS 94 -1.900 0.965 -1.782 690 HZ1 LYS 94 HZ1 LYS 94 -3.943 2.919 -1.422 691 HZ2 LYS 94 HZ2 LYS 94 -4.084 1.250 -1.662 692 HZ3 LYS 94 HZ3 LYS 94 -3.968 2.289 -2.992 693 H GLU 95 H GLU 95 1.313 7.503 -1.318 694 HA GLU 95 HA GLU 95 -1.266 8.478 -1.116 695 HB2 GLU 95 HB2 GLU 95 1.442 9.704 -1.045 696 HB3 GLU 95 HB3 GLU 95 0.072 10.791 -1.227 697 HG2 GLU 95 HG2 GLU 95 0.699 10.553 1.104 698 HG3 GLU 95 HG3 GLU 95 -0.917 9.912 0.814 699 H LEU 96 H LEU 96 0.864 8.453 -3.848 700 HA LEU 96 HA LEU 96 -0.835 10.309 -5.335 701 HB2 LEU 96 HB2 LEU 96 1.707 8.933 -6.189 702 HB3 LEU 96 HB3 LEU 96 0.871 10.220 -7.055 703 HG LEU 96 HG LEU 96 1.332 11.472 -4.722 704 HD11 LEU 96 HD11 LEU 96 3.545 10.937 -3.911 705 HD12 LEU 96 HD12 LEU 96 3.689 9.627 -5.082 706 HD13 LEU 96 HD13 LEU 96 2.502 9.521 -3.782 707 HD21 LEU 96 HD21 LEU 96 2.352 12.812 -6.164 708 HD22 LEU 96 HD22 LEU 96 2.354 11.514 -7.358 709 HD23 LEU 96 HD23 LEU 96 3.720 11.703 -6.257 710 H ASP 97 H ASP 97 -1.603 7.523 -4.522 711 HA ASP 97 HA ASP 97 -1.619 5.844 -6.786 712 HB2 ASP 97 HB2 ASP 97 -2.085 4.741 -4.785 713 HB3 ASP 97 HB3 ASP 97 -3.234 5.969 -4.262 714 H GLY 98 H GLY 98 -2.573 6.208 -8.671 715 HA2 GLY 98 HA2 GLY 98 -4.341 6.581 -10.135 716 HA3 GLY 98 HA3 GLY 98 -5.335 7.063 -8.768 717 H LEU 99 H LEU 99 -2.602 8.779 -8.386 718 HA LEU 99 HA LEU 99 -3.778 11.123 -9.686 719 HB2 LEU 99 HB2 LEU 99 -3.068 10.976 -7.199 720 HB3 LEU 99 HB3 LEU 99 -1.435 11.191 -7.825 721 HG LEU 99 HG LEU 99 -2.162 13.337 -8.841 722 HD11 LEU 99 HD11 LEU 99 -4.294 14.307 -7.931 723 HD12 LEU 99 HD12 LEU 99 -4.722 12.681 -7.403 724 HD13 LEU 99 HD13 LEU 99 -4.495 13.018 -9.118 725 HD21 LEU 99 HD21 LEU 99 -1.019 13.565 -6.816 726 HD22 LEU 99 HD22 LEU 99 -2.354 12.894 -5.879 727 HD23 LEU 99 HD23 LEU 99 -2.493 14.505 -6.584 728 H CYS 100 H CYS 100 -2.468 12.593 -10.891 729 HA CYS 100 HA CYS 100 -0.272 11.240 -12.292 730 HB2 CYS 100 HB2 CYS 100 -0.651 12.928 -14.073 731 HB3 CYS 100 HB3 CYS 100 -2.074 11.946 -13.747 732 HG CYS 100 HG CYS 100 -3.103 14.417 -14.205 733 H VAL 101 H VAL 101 1.758 11.918 -12.070 734 HA VAL 101 HA VAL 101 2.307 14.677 -11.295 735 HB VAL 101 HB VAL 101 3.857 14.003 -9.511 736 HG11 VAL 101 HG11 VAL 101 1.267 12.743 -8.755 737 HG12 VAL 101 HG12 VAL 101 2.257 13.907 -7.872 738 HG13 VAL 101 HG13 VAL 101 1.280 14.438 -9.241 739 HG21 VAL 101 HG21 VAL 101 4.265 11.708 -10.395 740 HG22 VAL 101 HG22 VAL 101 3.935 11.762 -8.663 741 HG23 VAL 101 HG23 VAL 101 2.677 11.243 -9.784 742 H ILE 102 H ILE 102 4.705 15.119 -11.341 743 HA ILE 102 HA ILE 102 5.795 13.960 -13.762 744 HB ILE 102 HB ILE 102 6.863 16.162 -11.992 745 HG12 ILE 102 HG12 ILE 102 4.722 16.662 -13.164 746 HG13 ILE 102 HG13 ILE 102 6.056 17.679 -13.697 747 HG21 ILE 102 HG21 ILE 102 8.210 16.644 -14.136 748 HG22 ILE 102 HG22 ILE 102 8.748 15.343 -13.075 749 HG23 ILE 102 HG23 ILE 102 7.859 14.967 -14.550 750 HD11 ILE 102 HD11 ILE 102 4.747 16.993 -15.589 751 HD12 ILE 102 HD12 ILE 102 6.331 16.220 -15.664 752 HD13 ILE 102 HD13 ILE 102 4.923 15.296 -15.140 753 H LEU 103 H LEU 103 7.613 12.726 -13.933 754 HA LEU 103 HA LEU 103 8.363 11.125 -11.735 755 HB2 LEU 103 HB2 LEU 103 9.748 9.991 -13.197 756 HB3 LEU 103 HB3 LEU 103 8.498 10.638 -14.258 757 HG LEU 103 HG LEU 103 11.255 11.811 -13.891 758 HD11 LEU 103 HD11 LEU 103 10.278 10.554 -16.411 759 HD12 LEU 103 HD12 LEU 103 10.895 9.529 -15.116 760 HD13 LEU 103 HD13 LEU 103 11.926 10.771 -15.824 761 HD21 LEU 103 HD21 LEU 103 10.481 12.990 -16.064 762 HD22 LEU 103 HD22 LEU 103 9.929 13.606 -14.507 763 HD23 LEU 103 HD23 LEU 103 8.857 12.610 -15.492 764 HA PRO 104 HA PRO 104 11.544 13.414 -9.755 765 HB2 PRO 104 HB2 PRO 104 13.196 11.418 -8.945 766 HB3 PRO 104 HB3 PRO 104 11.623 11.726 -8.199 767 HG2 PRO 104 HG2 PRO 104 12.377 9.687 -10.257 768 HG3 PRO 104 HG3 PRO 104 11.347 9.504 -8.825 769 HD2 PRO 104 HD2 PRO 104 10.335 9.823 -11.316 770 HD3 PRO 104 HD3 PRO 104 9.516 10.440 -9.867 771 H THR 105 H THR 105 12.841 10.797 -11.804 772 HA THR 105 HA THR 105 14.582 12.698 -13.142 773 HB THR 105 HB THR 105 15.896 11.902 -11.171 774 HG1 THR 105 HG1 THR 105 16.810 12.451 -13.328 775 HG21 THR 105 HG21 THR 105 14.813 9.442 -11.755 776 HG22 THR 105 HG22 THR 105 16.173 9.732 -10.671 777 HG23 THR 105 HG23 THR 105 16.465 9.293 -12.353 778 H GLU 106 H GLU 106 15.958 11.442 -14.837 779 HA GLU 106 HA GLU 106 14.268 10.291 -16.691 780 HB2 GLU 106 HB2 GLU 106 16.254 9.602 -17.901 781 HB3 GLU 106 HB3 GLU 106 16.505 11.199 -17.211 782 HG2 GLU 106 HG2 GLU 106 17.386 9.060 -15.452 783 HG3 GLU 106 HG3 GLU 106 18.209 9.056 -17.010 784 H THR 107 H THR 107 13.903 8.173 -17.405 785 HA THR 107 HA THR 107 14.922 5.927 -15.907 786 HB THR 107 HB THR 107 13.024 6.753 -14.496 787 HG1 THR 107 HG1 THR 107 13.218 4.669 -14.090 788 HG21 THR 107 HG21 THR 107 11.724 7.002 -16.954 789 HG22 THR 107 HG22 THR 107 11.013 7.209 -15.353 790 HG23 THR 107 HG23 THR 107 10.936 5.641 -16.157 791 H ARG 108 H ARG 108 13.644 3.860 -16.669 792 HA ARG 108 HA ARG 108 13.651 3.977 -19.586 793 HB2 ARG 108 HB2 ARG 108 14.902 2.239 -18.076 794 HB3 ARG 108 HB3 ARG 108 13.334 1.445 -18.019 795 HG2 ARG 108 HG2 ARG 108 14.519 0.415 -19.767 796 HG3 ARG 108 HG3 ARG 108 13.360 1.496 -20.545 797 HD2 ARG 108 HD2 ARG 108 14.989 2.976 -21.218 798 HD3 ARG 108 HD3 ARG 108 16.100 2.500 -19.935 799 HE ARG 108 HE ARG 108 15.862 0.287 -21.534 800 HH11 ARG 108 HH11 ARG 108 16.825 3.601 -21.987 801 HH12 ARG 108 HH12 ARG 108 17.925 3.242 -23.276 802 HH21 ARG 108 HH21 ARG 108 17.308 -0.199 -23.230 803 HH22 ARG 108 HH22 ARG 108 18.199 1.081 -23.983 804 H ASN 109 H ASN 109 11.999 2.864 -20.822 805 HA ASN 109 HA ASN 109 9.424 2.568 -19.449 806 HB2 ASN 109 HB2 ASN 109 9.575 4.851 -20.467 807 HB3 ASN 109 HB3 ASN 109 9.757 4.087 -22.044 808 HD21 ASN 109 HD21 ASN 109 7.928 4.523 -23.071 809 HD22 ASN 109 HD22 ASN 109 6.340 4.192 -22.476 810 H ILE 110 H ILE 110 9.303 0.386 -19.695 811 HA ILE 110 HA ILE 110 9.094 -0.595 -22.457 812 HB ILE 110 HB ILE 110 10.483 -2.052 -20.204 813 HG12 ILE 110 HG12 ILE 110 11.615 -1.031 -22.816 814 HG13 ILE 110 HG13 ILE 110 11.772 -0.187 -21.279 815 HG21 ILE 110 HG21 ILE 110 9.983 -2.890 -23.057 816 HG22 ILE 110 HG22 ILE 110 10.953 -3.775 -21.881 817 HG23 ILE 110 HG23 ILE 110 9.220 -3.574 -21.622 818 HD11 ILE 110 HD11 ILE 110 13.193 -2.540 -22.299 819 HD12 ILE 110 HD12 ILE 110 13.719 -1.287 -21.175 820 HD13 ILE 110 HD13 ILE 110 12.716 -2.620 -20.604 821 H SER 111 H SER 111 7.480 -2.049 -22.839 822 HA SER 111 HA SER 111 5.538 -2.392 -20.690 823 HB2 SER 111 HB2 SER 111 5.360 -2.908 -23.667 824 HB3 SER 111 HB3 SER 111 4.042 -3.195 -22.531 825 HG SER 111 HG SER 111 4.589 -0.829 -21.962 826 H PHE 112 H PHE 112 4.934 -4.322 -19.840 827 HA PHE 112 HA PHE 112 5.461 -6.843 -20.983 828 HB2 PHE 112 HB2 PHE 112 7.279 -7.655 -19.668 829 HB3 PHE 112 HB3 PHE 112 7.803 -6.123 -20.359 830 HD1 PHE 112 HD2 PHE 112 7.185 -4.027 -18.789 831 HD2 PHE 112 HD1 PHE 112 7.806 -8.028 -17.476 832 HE1 PHE 112 HE2 PHE 112 7.733 -3.199 -16.538 833 HE2 PHE 112 HE1 PHE 112 8.354 -7.207 -15.223 834 HZ PHE 112 HZ PHE 112 8.320 -4.790 -14.751 835 H VAL 113 H VAL 113 5.200 -8.633 -19.268 836 HA VAL 113 HA VAL 113 2.760 -8.193 -17.916 837 HB VAL 113 HB VAL 113 3.069 -10.442 -16.975 838 HG11 VAL 113 HG11 VAL 113 3.695 -10.084 -19.896 839 HG12 VAL 113 HG12 VAL 113 3.337 -11.653 -19.173 840 HG13 VAL 113 HG13 VAL 113 2.125 -10.371 -19.147 841 HG21 VAL 113 HG21 VAL 113 5.843 -9.867 -17.544 842 HG22 VAL 113 HG22 VAL 113 5.142 -11.120 -16.520 843 HG23 VAL 113 HG23 VAL 113 5.347 -11.406 -18.248 844 H LYS 114 H LYS 114 2.752 -9.216 -15.493 845 HA LYS 114 HA LYS 114 3.807 -7.167 -13.857 846 HB2 LYS 114 HB2 LYS 114 2.323 -9.704 -13.417 847 HB3 LYS 114 HB3 LYS 114 3.187 -9.034 -12.039 848 HG2 LYS 114 HG2 LYS 114 1.967 -6.829 -12.706 849 HG3 LYS 114 HG3 LYS 114 0.866 -7.924 -13.544 850 HD2 LYS 114 HD2 LYS 114 0.126 -8.890 -11.590 851 HD3 LYS 114 HD3 LYS 114 1.607 -8.500 -10.712 852 HE2 LYS 114 HE2 LYS 114 -0.005 -7.064 -9.809 853 HE3 LYS 114 HE3 LYS 114 0.892 -6.059 -10.947 854 HZ1 LYS 114 HZ1 LYS 114 -1.862 -6.648 -10.912 855 HZ2 LYS 114 HZ2 LYS 114 -1.199 -7.226 -12.357 856 HZ3 LYS 114 HZ3 LYS 114 -1.018 -5.598 -11.936 857 H ASN 115 H ASN 115 4.974 -7.982 -11.700 858 HA ASN 115 HA ASN 115 7.471 -9.214 -12.623 859 HB2 ASN 115 HB2 ASN 115 6.862 -7.468 -10.230 860 HB3 ASN 115 HB3 ASN 115 8.429 -8.215 -10.524 861 HD21 ASN 115 HD21 ASN 115 9.163 -7.824 -12.912 862 HD22 ASN 115 HD22 ASN 115 9.085 -6.174 -13.418 863 H SER 116 H SER 116 8.637 -10.154 -10.439 864 HA SER 116 HA SER 116 6.740 -11.978 -9.140 865 HB2 SER 116 HB2 SER 116 9.384 -12.902 -10.279 866 HB3 SER 116 HB3 SER 116 8.117 -13.900 -9.566 867 HG SER 116 HG SER 116 7.534 -14.085 -11.589 Start of MODEL 3 1 H1 MET 1 H MET 1 -1.598 -2.041 -0.951 2 HA MET 1 HA MET 1 0.681 -0.430 -1.785 3 HB2 MET 1 HB2 MET 1 -0.230 -3.232 -2.378 4 HB3 MET 1 HB3 MET 1 1.023 -2.464 -3.344 5 HG2 MET 1 HG2 MET 1 2.272 -3.585 -1.791 6 HG3 MET 1 HG3 MET 1 2.133 -1.997 -1.041 7 HE1 MET 1 HE1 MET 1 1.594 -5.673 1.115 8 HE2 MET 1 HE2 MET 1 1.277 -5.864 -0.609 9 HE3 MET 1 HE3 MET 1 2.754 -5.067 -0.066 10 HA PRO 2 HA PRO 2 -2.554 0.856 -4.873 11 HB2 PRO 2 HB2 PRO 2 -1.959 3.502 -4.756 12 HB3 PRO 2 HB3 PRO 2 -3.102 2.725 -3.655 13 HG2 PRO 2 HG2 PRO 2 -0.229 3.438 -3.208 14 HG3 PRO 2 HG3 PRO 2 -1.613 3.634 -2.117 15 HD2 PRO 2 HD2 PRO 2 0.149 1.592 -1.882 16 HD3 PRO 2 HD3 PRO 2 -1.567 1.426 -1.457 17 H LEU 3 H LEU 3 -1.968 2.777 -6.631 18 HA LEU 3 HA LEU 3 0.720 2.163 -7.657 19 HB2 LEU 3 HB2 LEU 3 -0.557 0.832 -9.041 20 HB3 LEU 3 HB3 LEU 3 -1.925 1.944 -9.019 21 HG LEU 3 HG LEU 3 -0.556 3.493 -10.451 22 HD11 LEU 3 HD11 LEU 3 1.141 1.311 -11.394 23 HD12 LEU 3 HD12 LEU 3 1.532 1.872 -9.769 24 HD13 LEU 3 HD13 LEU 3 1.522 3.010 -11.116 25 HD21 LEU 3 HD21 LEU 3 -1.384 2.550 -12.351 26 HD22 LEU 3 HD22 LEU 3 -2.258 1.587 -11.159 27 HD23 LEU 3 HD23 LEU 3 -0.813 0.935 -11.934 28 H ILE 4 H ILE 4 1.713 3.785 -8.890 29 HA ILE 4 HA ILE 4 0.418 6.428 -8.713 30 HB ILE 4 HB ILE 4 3.373 5.824 -8.539 31 HG12 ILE 4 HG12 ILE 4 2.285 5.169 -6.491 32 HG13 ILE 4 HG13 ILE 4 3.118 6.694 -6.206 33 HG21 ILE 4 HG21 ILE 4 3.605 8.214 -8.029 34 HG22 ILE 4 HG22 ILE 4 2.941 7.944 -9.640 35 HG23 ILE 4 HG23 ILE 4 1.880 8.434 -8.319 36 HD11 ILE 4 HD11 ILE 4 0.687 7.605 -6.902 37 HD12 ILE 4 HD12 ILE 4 0.250 6.064 -6.163 38 HD13 ILE 4 HD13 ILE 4 1.173 7.253 -5.243 39 H THR 5 H THR 5 0.068 7.417 -10.583 40 HA THR 5 HA THR 5 1.277 6.336 -13.010 41 HB THR 5 HB THR 5 -0.954 8.349 -12.661 42 HG1 THR 5 HG1 THR 5 -2.243 6.580 -13.361 43 HG21 THR 5 HG21 THR 5 0.673 7.752 -14.933 44 HG22 THR 5 HG22 THR 5 -0.695 8.860 -14.813 45 HG23 THR 5 HG23 THR 5 -0.963 7.168 -15.232 46 H PHE 6 H PHE 6 3.201 7.179 -13.505 47 HA PHE 6 HA PHE 6 3.716 10.011 -12.985 48 HB2 PHE 6 HB2 PHE 6 5.549 7.738 -13.767 49 HB3 PHE 6 HB3 PHE 6 6.079 9.408 -13.591 50 HD1 PHE 6 HD1 PHE 6 6.009 10.494 -11.368 51 HD2 PHE 6 HD2 PHE 6 5.200 6.348 -11.885 52 HE1 PHE 6 HE1 PHE 6 6.366 10.128 -8.961 53 HE2 PHE 6 HE2 PHE 6 5.554 5.975 -9.479 54 HZ PHE 6 HZ PHE 6 6.137 7.867 -8.014 55 H ILE 7 H ILE 7 3.727 11.494 -14.545 56 HA ILE 7 HA ILE 7 3.330 10.612 -17.303 57 HB ILE 7 HB ILE 7 3.159 13.428 -16.236 58 HG12 ILE 7 HG12 ILE 7 0.590 12.769 -16.574 59 HG13 ILE 7 HG13 ILE 7 1.216 11.173 -16.173 60 HG21 ILE 7 HG21 ILE 7 3.018 13.907 -18.407 61 HG22 ILE 7 HG22 ILE 7 2.878 12.206 -18.848 62 HG23 ILE 7 HG23 ILE 7 1.441 13.117 -18.383 63 HD11 ILE 7 HD11 ILE 7 1.369 11.683 -14.021 64 HD12 ILE 7 HD12 ILE 7 2.185 13.210 -14.360 65 HD13 ILE 7 HD13 ILE 7 0.424 13.124 -14.398 66 H SER 8 H SER 8 4.635 11.229 -19.003 67 HA SER 8 HA SER 8 7.328 12.084 -18.242 68 HB2 SER 8 HB2 SER 8 6.190 10.392 -20.365 69 HB3 SER 8 HB3 SER 8 7.489 11.459 -20.901 70 HG SER 8 HG SER 8 8.722 10.601 -19.101 71 HA PRO 9 HA PRO 9 7.093 16.057 -20.085 72 HB2 PRO 9 HB2 PRO 9 9.519 16.295 -21.280 73 HB3 PRO 9 HB3 PRO 9 9.303 16.343 -19.526 74 HG2 PRO 9 HG2 PRO 9 10.174 14.068 -21.265 75 HG3 PRO 9 HG3 PRO 9 10.821 14.590 -19.699 76 HD2 PRO 9 HD2 PRO 9 9.121 12.498 -19.947 77 HD3 PRO 9 HD3 PRO 9 9.142 13.546 -18.515 78 H ASP 10 H ASP 10 7.574 13.291 -22.069 79 HA ASP 10 HA ASP 10 7.112 14.832 -24.521 80 HB2 ASP 10 HB2 ASP 10 8.946 12.973 -24.203 81 HB3 ASP 10 HB3 ASP 10 7.601 11.878 -24.512 82 H GLY 11 H GLY 11 5.161 13.919 -22.290 83 HA2 GLY 11 HA2 GLY 11 2.826 13.734 -22.503 84 HA3 GLY 11 HA3 GLY 11 3.042 13.182 -24.157 85 H SER 12 H SER 12 5.181 11.292 -22.990 86 HA SER 12 HA SER 12 3.615 8.980 -22.945 87 HB2 SER 12 HB2 SER 12 6.436 9.641 -22.281 88 HB3 SER 12 HB3 SER 12 5.807 8.117 -21.654 89 HG SER 12 HG SER 12 6.785 8.347 -23.947 90 H ARG 13 H ARG 13 3.846 7.374 -20.990 91 HA ARG 13 HA ARG 13 3.612 8.594 -18.390 92 HB2 ARG 13 HB2 ARG 13 1.294 7.590 -18.046 93 HB3 ARG 13 HB3 ARG 13 1.386 9.051 -19.020 94 HG2 ARG 13 HG2 ARG 13 1.256 7.696 -21.055 95 HG3 ARG 13 HG3 ARG 13 1.141 6.239 -20.067 96 HD2 ARG 13 HD2 ARG 13 -0.792 8.491 -19.684 97 HD3 ARG 13 HD3 ARG 13 -1.024 7.330 -20.990 98 HE ARG 13 HE ARG 13 -0.599 6.037 -18.487 99 HH11 ARG 13 HH11 ARG 13 -2.987 7.680 -20.416 100 HH12 ARG 13 HH12 ARG 13 -4.330 6.875 -19.675 101 HH21 ARG 13 HH21 ARG 13 -2.359 4.971 -17.503 102 HH22 ARG 13 HH22 ARG 13 -3.972 5.335 -18.017 103 H LYS 14 H LYS 14 4.263 7.207 -16.863 104 HA LYS 14 HA LYS 14 4.593 4.390 -17.633 105 HB2 LYS 14 HB2 LYS 14 5.969 5.929 -15.423 106 HB3 LYS 14 HB3 LYS 14 6.321 4.276 -15.912 107 HG2 LYS 14 HG2 LYS 14 6.567 6.557 -17.839 108 HG3 LYS 14 HG3 LYS 14 7.873 6.137 -16.728 109 HD2 LYS 14 HD2 LYS 14 8.499 4.827 -18.473 110 HD3 LYS 14 HD3 LYS 14 7.365 3.707 -17.715 111 HE2 LYS 14 HE2 LYS 14 6.560 3.632 -19.840 112 HE3 LYS 14 HE3 LYS 14 5.644 5.021 -19.257 113 HZ1 LYS 14 HZ1 LYS 14 6.527 5.705 -21.282 114 HZ2 LYS 14 HZ2 LYS 14 8.035 4.996 -20.992 115 HZ3 LYS 14 HZ3 LYS 14 7.579 6.388 -20.147 116 H THR 15 H THR 15 3.963 2.729 -16.249 117 HA THR 15 HA THR 15 2.336 3.498 -13.925 118 HB THR 15 HB THR 15 1.520 1.509 -16.052 119 HG1 THR 15 HG1 THR 15 0.050 3.003 -16.620 120 HG21 THR 15 HG21 THR 15 0.687 1.869 -13.258 121 HG22 THR 15 HG22 THR 15 0.505 0.477 -14.325 122 HG23 THR 15 HG23 THR 15 -0.638 1.816 -14.420 123 H TYR 16 H TYR 16 3.283 2.613 -12.214 124 HA TYR 16 HA TYR 16 3.783 -0.226 -12.139 125 HB2 TYR 16 HB2 TYR 16 6.172 0.218 -11.256 126 HB3 TYR 16 HB3 TYR 16 5.906 0.258 -12.995 127 HD1 TYR 16 HD2 TYR 16 6.066 2.503 -10.022 128 HD2 TYR 16 HD1 TYR 16 6.613 2.102 -14.222 129 HE1 TYR 16 HE2 TYR 16 7.020 4.769 -10.108 130 HE2 TYR 16 HE1 TYR 16 7.570 4.365 -14.320 131 HH TYR 16 HH TYR 16 8.425 6.059 -13.062 132 H GLU 17 H GLU 17 3.732 -1.048 -10.081 133 HA GLU 17 HA GLU 17 2.471 0.443 -8.079 134 HB2 GLU 17 HB2 GLU 17 3.669 -2.243 -8.303 135 HB3 GLU 17 HB3 GLU 17 3.596 -1.595 -6.670 136 HG2 GLU 17 HG2 GLU 17 1.229 -1.346 -6.795 137 HG3 GLU 17 HG3 GLU 17 1.225 -1.739 -8.513 138 H ALA 18 H ALA 18 3.249 1.990 -6.823 139 HA ALA 18 HA ALA 18 6.141 2.099 -6.321 140 HB1 ALA 18 HB1 ALA 18 5.649 4.153 -7.178 141 HB2 ALA 18 HB2 ALA 18 4.007 4.154 -6.533 142 HB3 ALA 18 HB3 ALA 18 5.374 4.481 -5.467 143 H TYR 19 H TYR 19 6.877 2.744 -4.187 144 HA TYR 19 HA TYR 19 5.159 1.618 -2.087 145 HB2 TYR 19 HB2 TYR 19 7.841 1.156 -2.736 146 HB3 TYR 19 HB3 TYR 19 7.891 2.131 -1.271 147 HD1 TYR 19 HD1 TYR 19 6.239 -0.902 -2.683 148 HD2 TYR 19 HD2 TYR 19 7.665 1.095 0.794 149 HE1 TYR 19 HE1 TYR 19 5.757 -2.906 -1.341 150 HE2 TYR 19 HE2 TYR 19 7.188 -0.905 2.144 151 HH TYR 19 HH TYR 19 5.274 -3.434 1.071 152 H ASP 20 H ASP 20 6.285 2.644 0.159 153 HA ASP 20 HA ASP 20 5.483 5.458 -0.006 154 HB2 ASP 20 HB2 ASP 20 5.224 5.323 2.440 155 HB3 ASP 20 HB3 ASP 20 4.275 4.089 1.618 156 H GLY 21 H GLY 21 7.060 6.899 -0.202 157 HA2 GLY 21 HA2 GLY 21 9.024 8.031 0.178 158 HA3 GLY 21 HA3 GLY 21 9.206 7.069 1.638 159 H GLU 22 H GLU 22 8.834 5.158 -1.124 160 HA GLU 22 HA GLU 22 11.664 4.451 -1.029 161 HB2 GLU 22 HB2 GLU 22 9.975 2.660 -0.854 162 HB3 GLU 22 HB3 GLU 22 9.365 3.090 -2.445 163 HG2 GLU 22 HG2 GLU 22 11.059 2.074 -3.524 164 HG3 GLU 22 HG3 GLU 22 12.245 2.497 -2.290 165 H THR 23 H THR 23 13.048 5.223 -2.466 166 HA THR 23 HA THR 23 12.267 6.842 -4.648 167 HB THR 23 HB THR 23 14.401 7.254 -3.643 168 HG1 THR 23 HG1 THR 23 14.859 7.805 -5.641 169 HG21 THR 23 HG21 THR 23 15.149 5.257 -2.730 170 HG22 THR 23 HG22 THR 23 16.243 5.470 -4.097 171 HG23 THR 23 HG23 THR 23 14.881 4.357 -4.222 172 H LEU 24 H LEU 24 12.739 6.480 -6.915 173 HA LEU 24 HA LEU 24 11.647 4.100 -7.902 174 HB2 LEU 24 HB2 LEU 24 13.005 6.459 -9.051 175 HB3 LEU 24 HB3 LEU 24 12.978 5.009 -10.052 176 HG LEU 24 HG LEU 24 10.349 5.493 -9.036 177 HD11 LEU 24 HD11 LEU 24 11.516 7.822 -10.548 178 HD12 LEU 24 HD12 LEU 24 11.171 7.829 -8.819 179 HD13 LEU 24 HD13 LEU 24 9.857 7.639 -9.979 180 HD21 LEU 24 HD21 LEU 24 11.740 5.140 -11.617 181 HD22 LEU 24 HD22 LEU 24 10.176 5.954 -11.673 182 HD23 LEU 24 HD23 LEU 24 10.305 4.337 -10.979 183 H LEU 25 H LEU 25 14.881 4.917 -7.013 184 HA LEU 25 HA LEU 25 16.390 3.172 -8.548 185 HB2 LEU 25 HB2 LEU 25 17.073 4.920 -6.750 186 HB3 LEU 25 HB3 LEU 25 16.973 3.555 -5.639 187 HG LEU 25 HG LEU 25 18.574 2.485 -7.506 188 HD11 LEU 25 HD11 LEU 25 20.216 4.642 -7.725 189 HD12 LEU 25 HD12 LEU 25 18.630 5.379 -7.949 190 HD13 LEU 25 HD13 LEU 25 19.143 4.057 -8.997 191 HD21 LEU 25 HD21 LEU 25 19.091 2.513 -5.169 192 HD22 LEU 25 HD22 LEU 25 19.356 4.257 -5.196 193 HD23 LEU 25 HD23 LEU 25 20.468 3.182 -6.045 194 H SER 26 H SER 26 14.943 2.548 -5.349 195 HA SER 26 HA SER 26 15.686 -0.175 -5.255 196 HB2 SER 26 HB2 SER 26 15.155 0.758 -3.172 197 HB3 SER 26 HB3 SER 26 13.667 1.490 -3.773 198 HG SER 26 HG SER 26 14.107 -1.301 -3.498 199 H LEU 27 H LEU 27 12.984 1.502 -6.674 200 HA LEU 27 HA LEU 27 11.152 -0.577 -6.938 201 HB2 LEU 27 HB2 LEU 27 11.106 1.993 -7.595 202 HB3 LEU 27 HB3 LEU 27 11.478 1.336 -9.187 203 HG LEU 27 HG LEU 27 9.428 -0.012 -9.098 204 HD11 LEU 27 HD11 LEU 27 9.385 1.019 -6.339 205 HD12 LEU 27 HD12 LEU 27 8.764 -0.494 -7.000 206 HD13 LEU 27 HD13 LEU 27 7.833 0.994 -7.178 207 HD21 LEU 27 HD21 LEU 27 9.481 2.927 -9.011 208 HD22 LEU 27 HD22 LEU 27 7.893 2.193 -8.785 209 HD23 LEU 27 HD23 LEU 27 8.832 1.835 -10.235 210 H ALA 28 H ALA 28 14.152 -0.037 -8.547 211 HA ALA 28 HA ALA 28 13.850 -1.342 -10.955 212 HB1 ALA 28 HB1 ALA 28 16.168 -1.094 -9.078 213 HB2 ALA 28 HB2 ALA 28 16.307 -2.036 -10.562 214 HB3 ALA 28 HB3 ALA 28 15.910 -0.320 -10.642 215 H HIS 29 H HIS 29 13.994 -2.684 -7.744 216 HA HIS 29 HA HIS 29 14.690 -5.311 -8.234 217 HB2 HIS 29 HB2 HIS 29 13.721 -5.848 -6.162 218 HB3 HIS 29 HB3 HIS 29 14.165 -4.152 -5.999 219 HD1 HIS 29 HD1 HIS 29 11.504 -6.307 -5.203 220 HD2 HIS 29 HD2 HIS 29 11.715 -2.481 -6.808 221 HE1 HIS 29 HE1 HIS 29 9.243 -5.283 -4.799 222 H ARG 30 H ARG 30 11.649 -3.675 -8.830 223 HA ARG 30 HA ARG 30 10.249 -6.114 -9.483 224 HB2 ARG 30 HB2 ARG 30 9.574 -3.236 -9.287 225 HB3 ARG 30 HB3 ARG 30 8.627 -4.180 -10.429 226 HG2 ARG 30 HG2 ARG 30 9.000 -5.226 -7.669 227 HG3 ARG 30 HG3 ARG 30 7.865 -3.902 -7.940 228 HD2 ARG 30 HD2 ARG 30 6.559 -5.197 -9.423 229 HD3 ARG 30 HD3 ARG 30 7.808 -6.434 -9.559 230 HE ARG 30 HE ARG 30 7.019 -6.270 -6.881 231 HH11 ARG 30 HH11 ARG 30 5.730 -7.224 -9.971 232 HH12 ARG 30 HH12 ARG 30 4.641 -8.394 -9.302 233 HH21 ARG 30 HH21 ARG 30 5.589 -7.807 -5.988 234 HH22 ARG 30 HH22 ARG 30 4.561 -8.724 -7.036 235 H ASN 31 H ASN 31 11.859 -3.503 -11.187 236 HA ASN 31 HA ASN 31 10.966 -4.375 -13.784 237 HB2 ASN 31 HB2 ASN 31 11.653 -1.976 -13.012 238 HB3 ASN 31 HB3 ASN 31 13.290 -2.526 -13.355 239 HD21 ASN 31 HD21 ASN 31 13.337 -0.873 -14.968 240 HD22 ASN 31 HD22 ASN 31 12.617 -1.149 -16.514 241 H ASN 32 H ASN 32 13.149 -5.592 -11.641 242 HA ASN 32 HA ASN 32 14.947 -6.986 -11.766 243 HB2 ASN 32 HB2 ASN 32 13.904 -7.682 -14.514 244 HB3 ASN 32 HB3 ASN 32 14.824 -8.710 -13.419 245 HD21 ASN 32 HD21 ASN 32 11.816 -8.031 -14.574 246 HD22 ASN 32 HD22 ASN 32 10.863 -8.743 -13.321 247 H VAL 33 H VAL 33 15.290 -4.259 -12.765 248 HA VAL 33 HA VAL 33 17.191 -4.553 -14.957 249 HB VAL 33 HB VAL 33 15.550 -2.659 -14.914 250 HG11 VAL 33 HG11 VAL 33 16.014 -0.753 -13.454 251 HG12 VAL 33 HG12 VAL 33 15.619 -2.196 -12.517 252 HG13 VAL 33 HG13 VAL 33 17.296 -1.668 -12.662 253 HG21 VAL 33 HG21 VAL 33 18.296 -1.493 -14.827 254 HG22 VAL 33 HG22 VAL 33 17.914 -2.724 -16.030 255 HG23 VAL 33 HG23 VAL 33 16.995 -1.220 -15.986 256 H ASP 34 H ASP 34 19.357 -3.790 -14.819 257 HA ASP 34 HA ASP 34 20.486 -4.089 -12.128 258 HB2 ASP 34 HB2 ASP 34 22.657 -4.392 -13.389 259 HB3 ASP 34 HB3 ASP 34 21.444 -5.639 -13.666 260 H LEU 35 H LEU 35 20.919 -2.273 -11.080 261 HA LEU 35 HA LEU 35 22.008 0.001 -12.599 262 HB2 LEU 35 HB2 LEU 35 19.557 0.131 -11.699 263 HB3 LEU 35 HB3 LEU 35 20.350 0.433 -10.154 264 HG LEU 35 HG LEU 35 19.658 2.507 -11.250 265 HD11 LEU 35 HD11 LEU 35 21.594 3.701 -10.798 266 HD12 LEU 35 HD12 LEU 35 22.646 2.421 -11.399 267 HD13 LEU 35 HD13 LEU 35 21.811 2.225 -9.858 268 HD21 LEU 35 HD21 LEU 35 20.416 3.201 -13.341 269 HD22 LEU 35 HD22 LEU 35 20.023 1.499 -13.586 270 HD23 LEU 35 HD23 LEU 35 21.704 1.996 -13.381 271 H GLU 36 H GLU 36 24.087 0.094 -12.033 272 HA GLU 36 HA GLU 36 25.167 -0.871 -9.625 273 HB2 GLU 36 HB2 GLU 36 26.328 1.185 -11.514 274 HB3 GLU 36 HB3 GLU 36 27.223 0.292 -10.293 275 HG2 GLU 36 HG2 GLU 36 26.313 -1.795 -11.564 276 HG3 GLU 36 HG3 GLU 36 26.101 -0.649 -12.886 277 H GLY 37 H GLY 37 24.571 -0.088 -7.699 278 HA2 GLY 37 HA2 GLY 37 25.210 2.644 -7.041 279 HA3 GLY 37 HA3 GLY 37 23.484 2.312 -7.026 280 H ALA 38 H ALA 38 23.092 2.480 -4.872 281 HA ALA 38 HA ALA 38 24.632 0.720 -3.081 282 HB1 ALA 38 HB1 ALA 38 23.335 2.286 -1.350 283 HB2 ALA 38 HB2 ALA 38 24.891 2.724 -2.056 284 HB3 ALA 38 HB3 ALA 38 23.400 3.387 -2.727 285 H CYS 39 H CYS 39 21.359 1.790 -3.910 286 HA CYS 39 HA CYS 39 19.316 0.842 -3.606 287 HB2 CYS 39 HB2 CYS 39 20.837 -1.749 -3.272 288 HB3 CYS 39 HB3 CYS 39 19.156 -1.562 -3.756 289 HG CYS 39 HG CYS 39 21.426 -2.154 -5.754 290 H GLU 40 H GLU 40 20.335 2.033 -1.361 291 HA GLU 40 HA GLU 40 19.542 0.205 0.809 292 HB2 GLU 40 HB2 GLU 40 21.927 1.321 0.683 293 HB3 GLU 40 HB3 GLU 40 21.077 2.715 1.334 294 HG2 GLU 40 HG2 GLU 40 20.322 1.364 3.229 295 HG3 GLU 40 HG3 GLU 40 21.196 -0.022 2.580 296 H GLY 41 H GLY 41 17.495 1.328 -0.542 297 HA2 GLY 41 HA2 GLY 41 16.677 3.674 1.040 298 HA3 GLY 41 HA3 GLY 41 15.984 3.201 -0.504 299 H SER 42 H SER 42 16.007 2.641 2.932 300 HA SER 42 HA SER 42 13.386 1.388 2.719 301 HB2 SER 42 HB2 SER 42 15.334 -0.365 2.804 302 HB3 SER 42 HB3 SER 42 15.391 0.061 4.514 303 HG SER 42 HG SER 42 13.702 -1.577 3.286 304 H LEU 43 H LEU 43 12.536 0.960 5.049 305 HA LEU 43 HA LEU 43 11.803 1.879 6.996 306 HB2 LEU 43 HB2 LEU 43 14.622 2.921 7.212 307 HB3 LEU 43 HB3 LEU 43 13.466 2.736 8.529 308 HG LEU 43 HG LEU 43 14.388 0.361 6.949 309 HD11 LEU 43 HD11 LEU 43 15.854 1.842 9.091 310 HD12 LEU 43 HD12 LEU 43 16.469 1.122 7.603 311 HD13 LEU 43 HD13 LEU 43 16.004 0.090 8.956 312 HD21 LEU 43 HD21 LEU 43 14.045 -0.467 9.472 313 HD22 LEU 43 HD22 LEU 43 12.738 -0.416 8.289 314 HD23 LEU 43 HD23 LEU 43 12.921 0.891 9.459 315 H ALA 44 H ALA 44 11.309 3.371 4.679 316 HA ALA 44 HA ALA 44 11.546 6.140 5.664 317 HB1 ALA 44 HB1 ALA 44 11.646 6.936 3.479 318 HB2 ALA 44 HB2 ALA 44 12.639 5.478 3.431 319 HB3 ALA 44 HB3 ALA 44 10.991 5.444 2.802 320 H CYS 45 H CYS 45 9.584 4.965 6.890 321 HA CYS 45 HA CYS 45 7.136 5.525 5.353 322 HB2 CYS 45 HB2 CYS 45 5.978 4.066 6.983 323 HB3 CYS 45 HB3 CYS 45 7.246 3.218 6.108 324 HG CYS 45 HG CYS 45 6.848 3.575 9.347 325 H SER 46 H SER 46 5.435 6.671 6.363 326 HA SER 46 HA SER 46 4.543 8.368 7.588 327 HB2 SER 46 HB2 SER 46 5.082 6.600 9.416 328 HB3 SER 46 HB3 SER 46 6.401 7.686 9.853 329 HG SER 46 HG SER 46 4.758 8.416 11.051 330 H THR 47 H THR 47 6.864 8.863 5.932 331 HA THR 47 HA THR 47 8.608 10.680 7.290 332 HB THR 47 HB THR 47 9.303 9.441 5.258 333 HG1 THR 47 HG1 THR 47 10.512 11.246 5.668 334 HG21 THR 47 HG21 THR 47 8.559 10.281 3.054 335 HG22 THR 47 HG22 THR 47 7.376 11.305 3.868 336 HG23 THR 47 HG23 THR 47 7.247 9.549 3.977 337 H CYS 48 H CYS 48 8.701 12.934 7.104 338 HA CYS 48 HA CYS 48 6.138 14.217 6.935 339 HB2 CYS 48 HB2 CYS 48 8.926 15.182 7.535 340 HB3 CYS 48 HB3 CYS 48 7.586 16.308 7.351 341 HG CYS 48 HG CYS 48 7.091 16.224 9.866 342 H HIS 49 H HIS 49 9.225 14.673 5.208 343 HA HIS 49 HA HIS 49 8.351 16.511 3.327 344 HB2 HIS 49 HB2 HIS 49 10.377 14.327 2.814 345 HB3 HIS 49 HB3 HIS 49 10.269 15.886 2.002 346 HD1 HIS 49 HD1 HIS 49 9.899 17.566 4.669 347 HD2 HIS 49 HD2 HIS 49 12.867 14.754 3.930 348 HE1 HIS 49 HE1 HIS 49 11.792 18.165 6.213 349 H VAL 50 H VAL 50 7.426 16.392 1.313 350 HA VAL 50 HA VAL 50 6.470 13.748 0.438 351 HB VAL 50 HB VAL 50 4.350 14.765 -0.279 352 HG11 VAL 50 HG11 VAL 50 3.381 14.385 1.717 353 HG12 VAL 50 HG12 VAL 50 5.016 13.942 2.211 354 HG13 VAL 50 HG13 VAL 50 4.398 15.559 2.553 355 HG21 VAL 50 HG21 VAL 50 4.230 17.118 1.232 356 HG22 VAL 50 HG22 VAL 50 5.753 17.199 0.346 357 HG23 VAL 50 HG23 VAL 50 4.237 16.973 -0.526 358 H ILE 51 H ILE 51 5.715 13.788 -1.875 359 HA ILE 51 HA ILE 51 7.152 15.765 -3.498 360 HB ILE 51 HB ILE 51 8.703 14.011 -3.563 361 HG12 ILE 51 HG12 ILE 51 6.914 13.446 -5.933 362 HG13 ILE 51 HG13 ILE 51 7.947 14.865 -5.808 363 HG21 ILE 51 HG21 ILE 51 7.377 12.314 -2.452 364 HG22 ILE 51 HG22 ILE 51 6.391 12.107 -3.899 365 HG23 ILE 51 HG23 ILE 51 8.096 11.655 -3.922 366 HD11 ILE 51 HD11 ILE 51 9.684 12.809 -5.302 367 HD12 ILE 51 HD12 ILE 51 8.607 12.130 -6.523 368 HD13 ILE 51 HD13 ILE 51 9.473 13.631 -6.847 369 H ILE 52 H ILE 52 5.614 16.727 -4.649 370 HA ILE 52 HA ILE 52 3.640 15.031 -6.023 371 HB ILE 52 HB ILE 52 2.195 17.261 -5.783 372 HG12 ILE 52 HG12 ILE 52 2.436 18.176 -3.504 373 HG13 ILE 52 HG13 ILE 52 3.858 17.169 -3.255 374 HG21 ILE 52 HG21 ILE 52 1.261 15.205 -5.170 375 HG22 ILE 52 HG22 ILE 52 2.447 14.947 -3.891 376 HG23 ILE 52 HG23 ILE 52 1.194 16.172 -3.697 377 HD11 ILE 52 HD11 ILE 52 5.186 18.593 -4.334 378 HD12 ILE 52 HD12 ILE 52 4.019 18.845 -5.633 379 HD13 ILE 52 HD13 ILE 52 3.871 19.750 -4.128 380 H ASP 53 H ASP 53 2.683 16.061 -7.942 381 HA ASP 53 HA ASP 53 4.556 16.923 -9.767 382 HB2 ASP 53 HB2 ASP 53 2.434 17.934 -10.952 383 HB3 ASP 53 HB3 ASP 53 2.609 16.190 -10.768 384 HA PRO 54 HA PRO 54 5.326 21.194 -9.139 385 HB2 PRO 54 HB2 PRO 54 5.399 22.163 -11.674 386 HB3 PRO 54 HB3 PRO 54 6.669 21.133 -11.002 387 HG2 PRO 54 HG2 PRO 54 4.381 20.398 -12.788 388 HG3 PRO 54 HG3 PRO 54 6.075 19.879 -12.868 389 HD2 PRO 54 HD2 PRO 54 4.124 18.328 -11.810 390 HD3 PRO 54 HD3 PRO 54 5.797 18.292 -11.219 391 H SER 55 H SER 55 2.397 20.156 -10.472 392 HA SER 55 HA SER 55 1.245 22.757 -10.919 393 HB2 SER 55 HB2 SER 55 0.571 20.596 -12.104 394 HB3 SER 55 HB3 SER 55 -0.270 20.163 -10.616 395 HG SER 55 HG SER 55 -1.638 21.225 -12.125 396 H TRP 56 H TRP 56 1.299 20.378 -8.343 397 HA TRP 56 HA TRP 56 -0.585 21.933 -6.749 398 HB2 TRP 56 HB2 TRP 56 0.185 19.181 -6.866 399 HB3 TRP 56 HB3 TRP 56 0.513 19.786 -5.244 400 HD1 TRP 56 HD1 TRP 56 -1.452 18.871 -3.854 401 HE1 TRP 56 HE1 TRP 56 -4.017 19.000 -4.012 402 HE3 TRP 56 HE3 TRP 56 -1.872 21.091 -8.440 403 HZ2 TRP 56 HZ2 TRP 56 -5.962 19.920 -5.839 404 HZ3 TRP 56 HZ3 TRP 56 -4.121 21.561 -9.321 405 HH2 TRP 56 HH2 TRP 56 -6.122 20.986 -8.046 406 H TYR 57 H TYR 57 2.793 21.498 -7.148 407 HA TYR 57 HA TYR 57 3.833 21.996 -4.643 408 HB2 TYR 57 HB2 TYR 57 5.309 21.465 -6.450 409 HB3 TYR 57 HB3 TYR 57 4.806 22.885 -7.360 410 HD1 TYR 57 HD2 TYR 57 6.805 21.688 -4.518 411 HD2 TYR 57 HD1 TYR 57 5.715 25.062 -6.870 412 HE1 TYR 57 HE2 TYR 57 8.657 22.969 -3.528 413 HE2 TYR 57 HE1 TYR 57 7.565 26.351 -5.888 414 HH TYR 57 HH TYR 57 9.033 26.391 -4.096 415 H ASP 58 H ASP 58 2.778 24.361 -7.073 416 HA ASP 58 HA ASP 58 3.440 26.673 -5.636 417 HB2 ASP 58 HB2 ASP 58 2.948 26.958 -7.927 418 HB3 ASP 58 HB3 ASP 58 1.406 26.117 -7.786 419 H ILE 59 H ILE 59 0.777 24.471 -5.343 420 HA ILE 59 HA ILE 59 -0.882 26.250 -3.808 421 HB ILE 59 HB ILE 59 -1.065 23.257 -4.171 422 HG12 ILE 59 HG12 ILE 59 -1.325 24.452 -6.278 423 HG13 ILE 59 HG13 ILE 59 -2.880 23.814 -5.756 424 HG21 ILE 59 HG21 ILE 59 -3.449 23.643 -3.448 425 HG22 ILE 59 HG22 ILE 59 -2.230 23.809 -2.185 426 HG23 ILE 59 HG23 ILE 59 -2.941 25.246 -2.918 427 HD11 ILE 59 HD11 ILE 59 -3.099 26.059 -6.649 428 HD12 ILE 59 HD12 ILE 59 -3.509 26.021 -4.934 429 HD13 ILE 59 HD13 ILE 59 -1.950 26.659 -5.454 430 H VAL 60 H VAL 60 1.023 23.333 -3.058 431 HA VAL 60 HA VAL 60 0.604 23.464 -0.261 432 HB VAL 60 HB VAL 60 2.491 21.879 -0.092 433 HG11 VAL 60 HG11 VAL 60 1.035 20.275 -0.586 434 HG12 VAL 60 HG12 VAL 60 0.019 21.498 -1.352 435 HG13 VAL 60 HG13 VAL 60 1.194 20.597 -2.312 436 HG21 VAL 60 HG21 VAL 60 2.788 22.509 -3.018 437 HG22 VAL 60 HG22 VAL 60 4.002 22.637 -1.746 438 HG23 VAL 60 HG23 VAL 60 3.452 21.050 -2.283 439 H GLU 61 H GLU 61 2.814 25.052 -2.403 440 HA GLU 61 HA GLU 61 4.720 25.784 -0.388 441 HB2 GLU 61 HB2 GLU 61 5.514 25.649 -2.636 442 HB3 GLU 61 HB3 GLU 61 4.252 26.727 -3.214 443 HG2 GLU 61 HG2 GLU 61 6.352 27.892 -3.145 444 HG3 GLU 61 HG3 GLU 61 5.259 28.566 -1.937 445 H GLN 62 H GLN 62 1.842 27.208 -1.781 446 HA GLN 62 HA GLN 62 2.271 29.735 -0.412 447 HB2 GLN 62 HB2 GLN 62 0.311 30.512 -1.551 448 HB3 GLN 62 HB3 GLN 62 1.291 29.624 -2.710 449 HG2 GLN 62 HG2 GLN 62 -0.156 27.724 -2.574 450 HG3 GLN 62 HG3 GLN 62 -1.066 28.455 -1.253 451 HE21 GLN 62 HE21 GLN 62 -0.419 28.513 -4.670 452 HE22 GLN 62 HE22 GLN 62 -1.780 29.478 -5.116 453 H HIS 63 H HIS 63 0.477 26.788 -0.023 454 HA HIS 63 HA HIS 63 -1.355 27.812 1.930 455 HB2 HIS 63 HB2 HIS 63 -1.778 25.805 0.462 456 HB3 HIS 63 HB3 HIS 63 -0.614 24.923 1.447 457 HD1 HIS 63 HD1 HIS 63 -2.064 23.323 2.689 458 HD2 HIS 63 HD2 HIS 63 -3.537 27.206 2.817 459 HE1 HIS 63 HE1 HIS 63 -4.012 23.252 4.279 460 H ASN 64 H ASN 64 1.861 26.557 1.969 461 HA ASN 64 HA ASN 64 1.808 26.515 4.915 462 HB2 ASN 64 HB2 ASN 64 3.199 24.790 2.921 463 HB3 ASN 64 HB3 ASN 64 4.028 25.126 4.438 464 HD21 ASN 64 HD21 ASN 64 0.795 24.214 3.292 465 HD22 ASN 64 HD22 ASN 64 0.508 23.033 4.519 466 H GLU 65 H GLU 65 3.037 27.950 5.952 467 HA GLU 65 HA GLU 65 4.703 29.747 4.393 468 HB2 GLU 65 HB2 GLU 65 4.757 31.141 6.348 469 HB3 GLU 65 HB3 GLU 65 3.103 30.596 6.109 470 HG2 GLU 65 HG2 GLU 65 3.602 28.778 7.795 471 HG3 GLU 65 HG3 GLU 65 5.085 29.660 8.158 472 H ILE 66 H ILE 66 6.891 30.182 4.842 473 HA ILE 66 HA ILE 66 8.287 27.975 6.206 474 HB ILE 66 HB ILE 66 10.265 28.687 4.783 475 HG12 ILE 66 HG12 ILE 66 8.078 30.132 3.272 476 HG13 ILE 66 HG13 ILE 66 9.411 30.894 4.132 477 HG21 ILE 66 HG21 ILE 66 8.407 27.804 2.758 478 HG22 ILE 66 HG22 ILE 66 9.738 26.934 3.520 479 HG23 ILE 66 HG23 ILE 66 8.147 26.955 4.281 480 HD11 ILE 66 HD11 ILE 66 9.338 29.645 1.487 481 HD12 ILE 66 HD12 ILE 66 10.376 30.924 2.117 482 HD13 ILE 66 HD13 ILE 66 10.749 29.236 2.462 483 H SER 67 H SER 67 9.543 28.426 7.901 484 HA SER 67 HA SER 67 9.702 31.154 8.840 485 HB2 SER 67 HB2 SER 67 10.911 28.676 10.085 486 HB3 SER 67 HB3 SER 67 10.597 30.221 10.876 487 HG SER 67 HG SER 67 8.729 29.401 11.347 488 H ASP 68 H ASP 68 12.065 31.352 10.121 489 HA ASP 68 HA ASP 68 13.847 32.106 8.076 490 HB2 ASP 68 HB2 ASP 68 14.272 31.737 11.045 491 HB3 ASP 68 HB3 ASP 68 15.482 32.423 9.964 492 H GLU 69 H GLU 69 13.566 29.201 10.012 493 HA GLU 69 HA GLU 69 16.093 28.128 9.122 494 HB2 GLU 69 HB2 GLU 69 15.412 26.106 10.350 495 HB3 GLU 69 HB3 GLU 69 15.270 27.553 11.338 496 HG2 GLU 69 HG2 GLU 69 12.850 27.600 10.866 497 HG3 GLU 69 HG3 GLU 69 13.024 26.092 9.970 498 H GLU 70 H GLU 70 12.670 27.648 8.393 499 HA GLU 70 HA GLU 70 13.024 25.456 6.637 500 HB2 GLU 70 HB2 GLU 70 10.867 26.513 7.778 501 HB3 GLU 70 HB3 GLU 70 10.759 27.350 6.236 502 HG2 GLU 70 HG2 GLU 70 9.438 25.439 5.992 503 HG3 GLU 70 HG3 GLU 70 10.941 25.069 5.148 504 H ASN 71 H ASN 71 12.297 28.874 5.904 505 HA ASN 71 HA ASN 71 12.627 28.707 3.145 506 HB2 ASN 71 HB2 ASN 71 11.592 30.639 4.218 507 HB3 ASN 71 HB3 ASN 71 13.123 31.065 4.976 508 HD21 ASN 71 HD21 ASN 71 12.419 29.997 1.680 509 HD22 ASN 71 HD22 ASN 71 13.035 31.412 0.903 510 H ASP 72 H ASP 72 14.977 28.811 5.678 511 HA ASP 72 HA ASP 72 17.179 29.664 4.063 512 HB2 ASP 72 HB2 ASP 72 17.390 30.053 6.393 513 HB3 ASP 72 HB3 ASP 72 16.979 28.387 6.786 514 H MET 73 H MET 73 16.466 26.513 5.586 515 HA MET 73 HA MET 73 18.408 25.054 4.219 516 HB2 MET 73 HB2 MET 73 15.916 24.388 5.695 517 HB3 MET 73 HB3 MET 73 16.588 23.140 4.654 518 HG2 MET 73 HG2 MET 73 17.462 22.772 6.812 519 HG3 MET 73 HG3 MET 73 18.768 23.454 5.845 520 HE1 MET 73 HE1 MET 73 16.993 25.086 9.665 521 HE2 MET 73 HE2 MET 73 15.967 24.274 8.484 522 HE3 MET 73 HE3 MET 73 17.338 23.421 9.195 523 H LEU 74 H LEU 74 15.294 26.174 3.197 524 HA LEU 74 HA LEU 74 15.014 24.368 0.992 525 HB2 LEU 74 HB2 LEU 74 13.043 25.333 1.937 526 HB3 LEU 74 HB3 LEU 74 13.660 26.965 1.689 527 HG LEU 74 HG LEU 74 13.256 25.256 -0.709 528 HD11 LEU 74 HD11 LEU 74 11.222 24.808 0.482 529 HD12 LEU 74 HD12 LEU 74 10.882 25.965 -0.805 530 HD13 LEU 74 HD13 LEU 74 11.018 26.518 0.864 531 HD21 LEU 74 HD21 LEU 74 12.235 27.720 -1.211 532 HD22 LEU 74 HD22 LEU 74 13.915 27.258 -1.485 533 HD23 LEU 74 HD23 LEU 74 13.462 28.097 0.000 534 H ASP 75 H ASP 75 16.569 27.423 1.521 535 HA ASP 75 HA ASP 75 16.790 28.173 -1.225 536 HB2 ASP 75 HB2 ASP 75 17.412 29.328 1.291 537 HB3 ASP 75 HB3 ASP 75 18.899 29.309 0.346 538 H LEU 76 H LEU 76 18.662 26.202 0.957 539 HA LEU 76 HA LEU 76 20.885 26.020 -0.917 540 HB2 LEU 76 HB2 LEU 76 20.394 25.084 1.878 541 HB3 LEU 76 HB3 LEU 76 21.678 24.349 0.920 542 HG LEU 76 HG LEU 76 22.567 26.076 2.376 543 HD11 LEU 76 HD11 LEU 76 23.798 27.335 0.742 544 HD12 LEU 76 HD12 LEU 76 22.577 27.014 -0.488 545 HD13 LEU 76 HD13 LEU 76 23.564 25.694 0.139 546 HD21 LEU 76 HD21 LEU 76 20.304 27.380 2.217 547 HD22 LEU 76 HD22 LEU 76 21.101 28.192 0.869 548 HD23 LEU 76 HD23 LEU 76 21.818 28.246 2.480 549 H ALA 77 H ALA 77 17.990 24.789 -1.047 550 HA ALA 77 HA ALA 77 18.236 22.001 -1.089 551 HB1 ALA 77 HB1 ALA 77 16.303 22.274 -2.850 552 HB2 ALA 77 HB2 ALA 77 16.046 22.667 -1.149 553 HB3 ALA 77 HB3 ALA 77 16.353 23.954 -2.315 554 H PHE 78 H PHE 78 19.989 21.178 -2.132 555 HA PHE 78 HA PHE 78 20.328 21.868 -4.973 556 HB2 PHE 78 HB2 PHE 78 22.315 20.581 -3.089 557 HB3 PHE 78 HB3 PHE 78 22.622 21.046 -4.759 558 HD1 PHE 78 HD2 PHE 78 21.432 23.687 -4.938 559 HD2 PHE 78 HD1 PHE 78 23.655 21.915 -1.770 560 HE1 PHE 78 HE2 PHE 78 22.136 25.922 -4.187 561 HE2 PHE 78 HE1 PHE 78 24.361 24.147 -1.013 562 HZ PHE 78 HZ PHE 78 23.601 26.154 -2.221 563 H GLY 79 H GLY 79 19.847 20.394 -6.466 564 HA2 GLY 79 HA2 GLY 79 19.957 18.183 -7.367 565 HA3 GLY 79 HA3 GLY 79 19.907 17.549 -5.729 566 H LEU 80 H LEU 80 17.714 19.119 -4.805 567 HA LEU 80 HA LEU 80 15.569 17.492 -5.727 568 HB2 LEU 80 HB2 LEU 80 15.871 18.465 -3.411 569 HB3 LEU 80 HB3 LEU 80 15.333 20.002 -4.086 570 HG LEU 80 HG LEU 80 13.325 18.288 -4.836 571 HD11 LEU 80 HD11 LEU 80 14.693 16.801 -3.018 572 HD12 LEU 80 HD12 LEU 80 12.970 16.642 -3.358 573 HD13 LEU 80 HD13 LEU 80 13.512 17.615 -1.991 574 HD21 LEU 80 HD21 LEU 80 12.956 20.497 -3.994 575 HD22 LEU 80 HD22 LEU 80 13.586 20.054 -2.407 576 HD23 LEU 80 HD23 LEU 80 12.063 19.367 -2.975 577 H THR 81 H THR 81 13.630 18.163 -6.755 578 HA THR 81 HA THR 81 14.078 20.224 -8.760 579 HB THR 81 HB THR 81 12.269 19.313 -9.971 580 HG1 THR 81 HG1 THR 81 11.547 17.839 -7.638 581 HG21 THR 81 HG21 THR 81 14.381 17.718 -9.175 582 HG22 THR 81 HG22 THR 81 13.273 17.384 -10.506 583 HG23 THR 81 HG23 THR 81 12.971 16.694 -8.912 584 H ASP 82 H ASP 82 11.848 21.359 -9.387 585 HA ASP 82 HA ASP 82 11.172 22.967 -7.073 586 HB2 ASP 82 HB2 ASP 82 10.747 23.194 -10.024 587 HB3 ASP 82 HB3 ASP 82 9.710 24.123 -8.944 588 H THR 83 H THR 83 10.080 20.112 -8.153 589 HA THR 83 HA THR 83 7.240 20.662 -7.683 590 HB THR 83 HB THR 83 6.714 18.680 -8.764 591 HG1 THR 83 HG1 THR 83 8.480 17.060 -9.106 592 HG21 THR 83 HG21 THR 83 8.285 20.401 -10.095 593 HG22 THR 83 HG22 THR 83 7.612 18.947 -10.834 594 HG23 THR 83 HG23 THR 83 9.270 18.945 -10.232 595 H SER 84 H SER 84 10.015 19.308 -6.180 596 HA SER 84 HA SER 84 8.386 17.935 -4.165 597 HB2 SER 84 HB2 SER 84 10.261 16.670 -5.176 598 HB3 SER 84 HB3 SER 84 11.388 17.882 -4.566 599 HG SER 84 HG SER 84 10.137 15.823 -3.252 600 H ARG 85 H ARG 85 9.379 18.096 -1.874 601 HA ARG 85 HA ARG 85 9.783 20.954 -1.304 602 HB2 ARG 85 HB2 ARG 85 8.722 18.764 0.493 603 HB3 ARG 85 HB3 ARG 85 8.907 20.454 0.944 604 HG2 ARG 85 HG2 ARG 85 7.262 21.105 -0.715 605 HG3 ARG 85 HG3 ARG 85 7.110 19.428 -1.244 606 HD2 ARG 85 HD2 ARG 85 5.330 19.545 0.181 607 HD3 ARG 85 HD3 ARG 85 6.584 19.036 1.312 608 HE ARG 85 HE ARG 85 6.632 21.776 1.373 609 HH11 ARG 85 HH11 ARG 85 4.248 19.306 1.951 610 HH12 ARG 85 HH12 ARG 85 3.371 20.241 3.116 611 HH21 ARG 85 HH21 ARG 85 5.486 23.018 2.906 612 HH22 ARG 85 HH22 ARG 85 4.075 22.353 3.658 613 H LEU 86 H LEU 86 10.851 21.101 1.065 614 HA LEU 86 HA LEU 86 13.543 20.613 0.774 615 HB2 LEU 86 HB2 LEU 86 12.214 22.025 2.512 616 HB3 LEU 86 HB3 LEU 86 12.304 20.564 3.494 617 HG LEU 86 HG LEU 86 14.744 21.925 2.376 618 HD11 LEU 86 HD11 LEU 86 12.999 22.840 4.457 619 HD12 LEU 86 HD12 LEU 86 14.476 23.574 3.833 620 HD13 LEU 86 HD13 LEU 86 14.563 22.390 5.136 621 HD21 LEU 86 HD21 LEU 86 15.513 20.694 4.631 622 HD22 LEU 86 HD22 LEU 86 15.536 19.917 3.048 623 HD23 LEU 86 HD23 LEU 86 14.189 19.631 4.151 624 H GLY 87 H GLY 87 14.575 18.747 0.534 625 HA2 GLY 87 HA2 GLY 87 14.581 16.728 2.492 626 HA3 GLY 87 HA3 GLY 87 13.528 16.225 1.178 627 H CYS 88 H CYS 88 15.104 17.589 -0.867 628 HA CYS 88 HA CYS 88 16.703 16.998 -2.379 629 HB2 CYS 88 HB2 CYS 88 18.293 16.736 0.180 630 HB3 CYS 88 HB3 CYS 88 19.003 16.734 -1.430 631 HG CYS 88 HG CYS 88 18.543 19.264 0.457 632 H GLN 89 H GLN 89 14.975 14.874 -1.371 633 HA GLN 89 HA GLN 89 16.752 12.578 -1.872 634 HB2 GLN 89 HB2 GLN 89 14.499 12.892 0.082 635 HB3 GLN 89 HB3 GLN 89 14.896 11.302 -0.554 636 HG2 GLN 89 HG2 GLN 89 16.853 13.109 0.845 637 HG3 GLN 89 HG3 GLN 89 15.951 11.812 1.626 638 HE21 GLN 89 HE21 GLN 89 18.571 11.659 1.850 639 HE22 GLN 89 HE22 GLN 89 19.237 10.446 0.816 640 H ILE 90 H ILE 90 13.528 13.954 -2.281 641 HA ILE 90 HA ILE 90 11.844 13.513 -3.755 642 HB ILE 90 HB ILE 90 13.865 12.528 -5.729 643 HG12 ILE 90 HG12 ILE 90 13.563 15.390 -4.793 644 HG13 ILE 90 HG13 ILE 90 14.990 14.377 -4.603 645 HG21 ILE 90 HG21 ILE 90 12.504 13.845 -7.280 646 HG22 ILE 90 HG22 ILE 90 11.527 12.675 -6.394 647 HG23 ILE 90 HG23 ILE 90 11.493 14.378 -5.938 648 HD11 ILE 90 HD11 ILE 90 15.711 15.336 -6.471 649 HD12 ILE 90 HD12 ILE 90 14.546 14.310 -7.309 650 HD13 ILE 90 HD13 ILE 90 14.111 15.961 -6.870 651 H ILE 91 H ILE 91 11.307 11.664 -2.300 652 HA ILE 91 HA ILE 91 11.589 9.105 -3.738 653 HB ILE 91 HB ILE 91 11.112 8.090 -1.415 654 HG12 ILE 91 HG12 ILE 91 12.160 10.808 -0.595 655 HG13 ILE 91 HG13 ILE 91 10.520 10.228 -0.327 656 HG21 ILE 91 HG21 ILE 91 13.500 8.854 -2.752 657 HG22 ILE 91 HG22 ILE 91 13.756 9.025 -1.017 658 HG23 ILE 91 HG23 ILE 91 13.227 7.479 -1.681 659 HD11 ILE 91 HD11 ILE 91 11.117 9.163 1.521 660 HD12 ILE 91 HD12 ILE 91 12.488 8.392 0.723 661 HD13 ILE 91 HD13 ILE 91 12.660 10.009 1.404 662 H LEU 92 H LEU 92 9.726 8.827 -4.803 663 HA LEU 92 HA LEU 92 7.252 9.886 -4.279 664 HB2 LEU 92 HB2 LEU 92 6.401 7.722 -5.434 665 HB3 LEU 92 HB3 LEU 92 7.397 8.867 -6.330 666 HG LEU 92 HG LEU 92 8.907 6.730 -5.004 667 HD11 LEU 92 HD11 LEU 92 8.104 5.381 -7.236 668 HD12 LEU 92 HD12 LEU 92 6.594 6.099 -6.676 669 HD13 LEU 92 HD13 LEU 92 7.533 5.068 -5.596 670 HD21 LEU 92 HD21 LEU 92 9.311 8.569 -7.013 671 HD22 LEU 92 HD22 LEU 92 9.107 7.052 -7.890 672 HD23 LEU 92 HD23 LEU 92 10.348 7.191 -6.644 673 H THR 93 H THR 93 5.270 8.855 -3.489 674 HA THR 93 HA THR 93 5.649 6.762 -1.488 675 HB THR 93 HB THR 93 5.834 8.414 0.080 676 HG1 THR 93 HG1 THR 93 3.786 8.718 1.034 677 HG21 THR 93 HG21 THR 93 4.767 10.638 -0.091 678 HG22 THR 93 HG22 THR 93 4.065 10.160 -1.637 679 HG23 THR 93 HG23 THR 93 5.815 10.285 -1.464 680 H LYS 94 H LYS 94 3.626 5.843 -0.724 681 HA LYS 94 HA LYS 94 1.771 5.444 -2.823 682 HB2 LYS 94 HB2 LYS 94 0.886 3.796 -1.513 683 HB3 LYS 94 HB3 LYS 94 2.434 3.981 -0.699 684 HG2 LYS 94 HG2 LYS 94 1.089 5.747 0.721 685 HG3 LYS 94 HG3 LYS 94 -0.287 4.779 0.185 686 HD2 LYS 94 HD2 LYS 94 0.176 3.261 1.740 687 HD3 LYS 94 HD3 LYS 94 1.766 3.002 1.019 688 HE2 LYS 94 HE2 LYS 94 2.314 3.621 3.174 689 HE3 LYS 94 HE3 LYS 94 2.411 5.160 2.319 690 HZ1 LYS 94 HZ1 LYS 94 0.074 4.219 3.892 691 HZ2 LYS 94 HZ2 LYS 94 0.204 5.710 3.104 692 HZ3 LYS 94 HZ3 LYS 94 1.212 5.357 4.416 693 H GLU 95 H GLU 95 2.064 7.919 -0.558 694 HA GLU 95 HA GLU 95 -0.552 8.558 0.113 695 HB2 GLU 95 HB2 GLU 95 1.959 10.135 -0.214 696 HB3 GLU 95 HB3 GLU 95 0.445 11.009 -0.033 697 HG2 GLU 95 HG2 GLU 95 1.442 8.925 1.894 698 HG3 GLU 95 HG3 GLU 95 1.677 10.661 2.088 699 H LEU 96 H LEU 96 1.048 8.758 -2.926 700 HA LEU 96 HA LEU 96 -0.961 10.554 -4.046 701 HB2 LEU 96 HB2 LEU 96 1.395 9.240 -5.391 702 HB3 LEU 96 HB3 LEU 96 0.387 10.524 -6.057 703 HG LEU 96 HG LEU 96 1.284 11.724 -3.807 704 HD11 LEU 96 HD11 LEU 96 2.715 9.973 -3.080 705 HD12 LEU 96 HD12 LEU 96 3.744 11.245 -3.736 706 HD13 LEU 96 HD13 LEU 96 3.421 9.795 -4.687 707 HD21 LEU 96 HD21 LEU 96 2.064 11.693 -6.643 708 HD22 LEU 96 HD22 LEU 96 3.240 12.412 -5.543 709 HD23 LEU 96 HD23 LEU 96 1.592 13.040 -5.607 710 H ASP 97 H ASP 97 -1.551 7.781 -3.124 711 HA ASP 97 HA ASP 97 -1.895 6.008 -5.244 712 HB2 ASP 97 HB2 ASP 97 -3.587 4.916 -3.854 713 HB3 ASP 97 HB3 ASP 97 -2.192 5.379 -2.883 714 H GLY 98 H GLY 98 -2.991 6.255 -7.069 715 HA2 GLY 98 HA2 GLY 98 -4.857 6.597 -8.415 716 HA3 GLY 98 HA3 GLY 98 -5.708 7.250 -7.023 717 H LEU 99 H LEU 99 -2.886 8.846 -6.992 718 HA LEU 99 HA LEU 99 -4.040 11.119 -8.432 719 HB2 LEU 99 HB2 LEU 99 -2.121 10.803 -6.189 720 HB3 LEU 99 HB3 LEU 99 -1.943 12.215 -7.229 721 HG LEU 99 HG LEU 99 -4.427 12.648 -6.720 722 HD11 LEU 99 HD11 LEU 99 -3.755 10.782 -4.449 723 HD12 LEU 99 HD12 LEU 99 -4.912 10.465 -5.742 724 HD13 LEU 99 HD13 LEU 99 -5.213 11.765 -4.588 725 HD21 LEU 99 HD21 LEU 99 -3.864 13.960 -4.826 726 HD22 LEU 99 HD22 LEU 99 -2.432 13.914 -5.854 727 HD23 LEU 99 HD23 LEU 99 -2.514 12.904 -4.410 728 H CYS 100 H CYS 100 -2.910 12.262 -9.998 729 HA CYS 100 HA CYS 100 -0.710 10.767 -11.241 730 HB2 CYS 100 HB2 CYS 100 -1.257 12.084 -13.278 731 HB3 CYS 100 HB3 CYS 100 -2.606 11.111 -12.705 732 HG CYS 100 HG CYS 100 -2.782 14.126 -13.567 733 H VAL 101 H VAL 101 1.290 11.556 -11.244 734 HA VAL 101 HA VAL 101 1.712 14.439 -10.955 735 HB VAL 101 HB VAL 101 3.472 14.090 -9.267 736 HG11 VAL 101 HG11 VAL 101 1.125 12.822 -7.994 737 HG12 VAL 101 HG12 VAL 101 2.025 14.269 -7.535 738 HG13 VAL 101 HG13 VAL 101 0.840 14.343 -8.839 739 HG21 VAL 101 HG21 VAL 101 3.865 11.683 -9.910 740 HG22 VAL 101 HG22 VAL 101 3.819 12.011 -8.178 741 HG23 VAL 101 HG23 VAL 101 2.424 11.283 -8.975 742 H ILE 102 H ILE 102 4.067 15.000 -11.287 743 HA ILE 102 HA ILE 102 5.005 13.596 -13.642 744 HB ILE 102 HB ILE 102 6.100 16.057 -12.274 745 HG12 ILE 102 HG12 ILE 102 3.865 16.414 -13.195 746 HG13 ILE 102 HG13 ILE 102 5.066 17.267 -14.158 747 HG21 ILE 102 HG21 ILE 102 7.930 15.512 -13.470 748 HG22 ILE 102 HG22 ILE 102 7.036 14.442 -14.548 749 HG23 ILE 102 HG23 ILE 102 7.006 16.185 -14.813 750 HD11 ILE 102 HD11 ILE 102 4.226 16.292 -15.952 751 HD12 ILE 102 HD12 ILE 102 4.791 14.741 -15.330 752 HD13 ILE 102 HD13 ILE 102 3.158 15.297 -14.963 753 H LEU 103 H LEU 103 6.811 12.373 -13.808 754 HA LEU 103 HA LEU 103 7.886 11.158 -11.509 755 HB2 LEU 103 HB2 LEU 103 9.116 9.849 -12.936 756 HB3 LEU 103 HB3 LEU 103 7.791 10.360 -13.980 757 HG LEU 103 HG LEU 103 10.551 11.580 -13.955 758 HD11 LEU 103 HD11 LEU 103 9.335 9.353 -15.487 759 HD12 LEU 103 HD12 LEU 103 11.002 9.597 -14.968 760 HD13 LEU 103 HD13 LEU 103 10.375 10.478 -16.361 761 HD21 LEU 103 HD21 LEU 103 8.163 12.015 -15.744 762 HD22 LEU 103 HD22 LEU 103 9.782 12.647 -16.049 763 HD23 LEU 103 HD23 LEU 103 8.879 13.181 -14.631 764 HA PRO 104 HA PRO 104 11.141 13.813 -10.236 765 HB2 PRO 104 HB2 PRO 104 12.997 12.018 -9.397 766 HB3 PRO 104 HB3 PRO 104 11.506 12.345 -8.507 767 HG2 PRO 104 HG2 PRO 104 12.141 10.096 -10.377 768 HG3 PRO 104 HG3 PRO 104 11.298 10.050 -8.817 769 HD2 PRO 104 HD2 PRO 104 9.986 9.997 -11.186 770 HD3 PRO 104 HD3 PRO 104 9.304 10.757 -9.733 771 H THR 105 H THR 105 12.142 11.099 -12.294 772 HA THR 105 HA THR 105 13.574 12.816 -14.066 773 HB THR 105 HB THR 105 15.286 12.762 -12.363 774 HG1 THR 105 HG1 THR 105 16.632 12.556 -13.971 775 HG21 THR 105 HG21 THR 105 15.151 9.750 -12.554 776 HG22 THR 105 HG22 THR 105 14.549 10.716 -11.207 777 HG23 THR 105 HG23 THR 105 16.275 10.684 -11.567 778 H GLU 106 H GLU 106 13.981 11.843 -16.017 779 HA GLU 106 HA GLU 106 12.526 9.580 -16.727 780 HB2 GLU 106 HB2 GLU 106 13.672 9.672 -18.854 781 HB3 GLU 106 HB3 GLU 106 13.314 11.307 -18.317 782 HG2 GLU 106 HG2 GLU 106 15.911 10.478 -17.398 783 HG3 GLU 106 HG3 GLU 106 15.771 10.297 -19.146 784 H THR 107 H THR 107 13.127 7.457 -17.256 785 HA THR 107 HA THR 107 15.743 6.428 -16.870 786 HB THR 107 HB THR 107 15.407 6.682 -14.530 787 HG1 THR 107 HG1 THR 107 16.237 4.718 -14.567 788 HG21 THR 107 HG21 THR 107 13.322 6.902 -13.762 789 HG22 THR 107 HG22 THR 107 13.187 5.145 -13.836 790 HG23 THR 107 HG23 THR 107 12.648 6.129 -15.196 791 H ARG 108 H ARG 108 15.710 5.000 -18.478 792 HA ARG 108 HA ARG 108 14.165 2.653 -18.383 793 HB2 ARG 108 HB2 ARG 108 12.559 4.595 -19.230 794 HB3 ARG 108 HB3 ARG 108 13.337 4.239 -20.766 795 HG2 ARG 108 HG2 ARG 108 12.720 1.757 -20.083 796 HG3 ARG 108 HG3 ARG 108 11.476 2.593 -19.151 797 HD2 ARG 108 HD2 ARG 108 11.941 2.659 -22.121 798 HD3 ARG 108 HD3 ARG 108 10.513 2.097 -21.254 799 HE ARG 108 HE ARG 108 10.651 4.690 -20.541 800 HH11 ARG 108 HH11 ARG 108 10.765 3.084 -23.627 801 HH12 ARG 108 HH12 ARG 108 10.047 4.405 -24.488 802 HH21 ARG 108 HH21 ARG 108 9.704 6.436 -21.662 803 HH22 ARG 108 HH22 ARG 108 9.445 6.312 -23.369 804 H ASN 109 H ASN 109 14.635 1.194 -20.141 805 HA ASN 109 HA ASN 109 16.901 2.037 -21.818 806 HB2 ASN 109 HB2 ASN 109 16.703 -0.245 -19.924 807 HB3 ASN 109 HB3 ASN 109 17.518 -0.549 -21.455 808 HD21 ASN 109 HD21 ASN 109 19.618 -0.473 -21.152 809 HD22 ASN 109 HD22 ASN 109 20.472 0.710 -20.228 810 H ILE 110 H ILE 110 15.138 -1.026 -21.457 811 HA ILE 110 HA ILE 110 13.542 -0.755 -23.758 812 HB ILE 110 HB ILE 110 15.763 -0.861 -24.884 813 HG12 ILE 110 HG12 ILE 110 14.276 -3.379 -25.550 814 HG13 ILE 110 HG13 ILE 110 13.488 -1.819 -25.759 815 HG21 ILE 110 HG21 ILE 110 16.731 -2.436 -23.160 816 HG22 ILE 110 HG22 ILE 110 15.861 -3.728 -23.984 817 HG23 ILE 110 HG23 ILE 110 17.098 -2.811 -24.843 818 HD11 ILE 110 HD11 ILE 110 14.361 -2.050 -27.829 819 HD12 ILE 110 HD12 ILE 110 15.752 -1.299 -27.047 820 HD13 ILE 110 HD13 ILE 110 15.705 -3.047 -27.274 821 H SER 111 H SER 111 12.224 -2.567 -24.133 822 HA SER 111 HA SER 111 10.967 -4.341 -23.455 823 HB2 SER 111 HB2 SER 111 13.560 -5.605 -22.570 824 HB3 SER 111 HB3 SER 111 12.115 -6.403 -23.188 825 HG SER 111 HG SER 111 14.220 -5.514 -24.549 826 H PHE 112 H PHE 112 10.886 -2.381 -21.614 827 HA PHE 112 HA PHE 112 10.866 -3.877 -19.083 828 HB2 PHE 112 HB2 PHE 112 11.948 -1.119 -19.601 829 HB3 PHE 112 HB3 PHE 112 11.374 -1.581 -18.002 830 HD1 PHE 112 HD2 PHE 112 12.293 -4.225 -17.562 831 HD2 PHE 112 HD1 PHE 112 14.236 -1.060 -19.642 832 HE1 PHE 112 HE2 PHE 112 14.476 -5.250 -17.075 833 HE2 PHE 112 HE1 PHE 112 16.422 -2.081 -19.159 834 HZ PHE 112 HZ PHE 112 16.544 -4.178 -17.873 835 H VAL 113 H VAL 113 8.665 -3.745 -20.680 836 HA VAL 113 HA VAL 113 6.984 -1.601 -19.594 837 HB VAL 113 HB VAL 113 6.319 -3.587 -21.771 838 HG11 VAL 113 HG11 VAL 113 4.829 -1.449 -20.407 839 HG12 VAL 113 HG12 VAL 113 4.710 -1.449 -22.168 840 HG13 VAL 113 HG13 VAL 113 4.244 -2.883 -21.251 841 HG21 VAL 113 HG21 VAL 113 7.383 -0.773 -21.916 842 HG22 VAL 113 HG22 VAL 113 8.110 -2.240 -22.573 843 HG23 VAL 113 HG23 VAL 113 6.626 -1.599 -23.279 844 H LYS 114 H LYS 114 7.630 -4.950 -19.289 845 HA LYS 114 HA LYS 114 5.396 -5.201 -17.407 846 HB2 LYS 114 HB2 LYS 114 6.008 -6.985 -19.736 847 HB3 LYS 114 HB3 LYS 114 5.276 -7.663 -18.288 848 HG2 LYS 114 HG2 LYS 114 4.128 -5.361 -19.851 849 HG3 LYS 114 HG3 LYS 114 3.647 -7.048 -20.049 850 HD2 LYS 114 HD2 LYS 114 3.218 -6.974 -17.497 851 HD3 LYS 114 HD3 LYS 114 3.224 -5.222 -17.711 852 HE2 LYS 114 HE2 LYS 114 1.461 -5.453 -19.418 853 HE3 LYS 114 HE3 LYS 114 1.433 -7.193 -19.131 854 HZ1 LYS 114 HZ1 LYS 114 0.452 -5.013 -17.438 855 HZ2 LYS 114 HZ2 LYS 114 1.039 -6.406 -16.680 856 HZ3 LYS 114 HZ3 LYS 114 -0.248 -6.516 -17.772 857 H ASN 115 H ASN 115 5.683 -6.931 -15.838 858 HA ASN 115 HA ASN 115 8.313 -8.123 -15.612 859 HB2 ASN 115 HB2 ASN 115 7.306 -6.098 -13.604 860 HB3 ASN 115 HB3 ASN 115 8.648 -7.198 -13.300 861 HD21 ASN 115 HD21 ASN 115 10.251 -7.174 -15.274 862 HD22 ASN 115 HD22 ASN 115 10.764 -5.592 -15.742 863 H SER 116 H SER 116 8.332 -9.114 -13.154 864 HA SER 116 HA SER 116 5.786 -10.584 -12.933 865 HB2 SER 116 HB2 SER 116 8.635 -11.495 -12.691 866 HB3 SER 116 HB3 SER 116 7.361 -12.363 -11.836 867 HG SER 116 HG SER 116 7.153 -13.346 -13.688 Start of MODEL 4 1 H1 MET 1 H MET 1 0.383 -1.306 -2.389 2 HA MET 1 HA MET 1 2.864 -0.371 -3.393 3 HB2 MET 1 HB2 MET 1 2.088 -3.175 -4.217 4 HB3 MET 1 HB3 MET 1 3.434 -2.241 -4.857 5 HG2 MET 1 HG2 MET 1 4.695 -2.492 -2.952 6 HG3 MET 1 HG3 MET 1 3.288 -2.783 -1.932 7 HE1 MET 1 HE1 MET 1 2.530 -6.444 -2.211 8 HE2 MET 1 HE2 MET 1 2.903 -5.233 -0.985 9 HE3 MET 1 HE3 MET 1 1.748 -4.864 -2.267 10 HA PRO 2 HA PRO 2 -1.030 0.509 -5.811 11 HB2 PRO 2 HB2 PRO 2 -0.809 3.211 -5.670 12 HB3 PRO 2 HB3 PRO 2 -1.628 2.249 -4.434 13 HG2 PRO 2 HG2 PRO 2 1.148 3.371 -4.430 14 HG3 PRO 2 HG3 PRO 2 -0.047 3.336 -3.120 15 HD2 PRO 2 HD2 PRO 2 2.004 1.574 -3.270 16 HD3 PRO 2 HD3 PRO 2 0.426 1.145 -2.579 17 H LEU 3 H LEU 3 -1.015 2.566 -7.534 18 HA LEU 3 HA LEU 3 1.491 2.283 -9.055 19 HB2 LEU 3 HB2 LEU 3 -0.007 0.949 -10.242 20 HB3 LEU 3 HB3 LEU 3 -1.353 2.053 -9.963 21 HG LEU 3 HG LEU 3 -0.276 3.664 -11.525 22 HD11 LEU 3 HD11 LEU 3 1.959 2.089 -11.181 23 HD12 LEU 3 HD12 LEU 3 1.749 3.349 -12.396 24 HD13 LEU 3 HD13 LEU 3 1.403 1.668 -12.801 25 HD21 LEU 3 HD21 LEU 3 -1.288 2.730 -13.335 26 HD22 LEU 3 HD22 LEU 3 -1.936 1.668 -12.084 27 HD23 LEU 3 HD23 LEU 3 -0.565 1.144 -13.063 28 H ILE 4 H ILE 4 2.262 4.085 -10.090 29 HA ILE 4 HA ILE 4 0.803 6.592 -9.564 30 HB ILE 4 HB ILE 4 3.790 6.248 -9.844 31 HG12 ILE 4 HG12 ILE 4 3.087 5.236 -7.774 32 HG13 ILE 4 HG13 ILE 4 3.811 6.796 -7.401 33 HG21 ILE 4 HG21 ILE 4 2.005 8.604 -9.400 34 HG22 ILE 4 HG22 ILE 4 3.655 8.608 -8.780 35 HG23 ILE 4 HG23 ILE 4 3.364 8.423 -10.509 36 HD11 ILE 4 HD11 ILE 4 1.858 6.502 -6.059 37 HD12 ILE 4 HD12 ILE 4 1.530 7.753 -7.258 38 HD13 ILE 4 HD13 ILE 4 0.881 6.128 -7.479 39 H THR 5 H THR 5 0.195 7.749 -11.269 40 HA THR 5 HA THR 5 0.951 6.885 -13.926 41 HB THR 5 HB THR 5 -0.930 9.078 -13.032 42 HG1 THR 5 HG1 THR 5 -1.755 7.045 -12.547 43 HG21 THR 5 HG21 THR 5 -0.952 9.786 -15.143 44 HG22 THR 5 HG22 THR 5 -1.498 8.189 -15.655 45 HG23 THR 5 HG23 THR 5 0.226 8.554 -15.592 46 H PHE 6 H PHE 6 2.837 7.569 -14.710 47 HA PHE 6 HA PHE 6 3.866 10.195 -13.984 48 HB2 PHE 6 HB2 PHE 6 5.046 7.842 -15.454 49 HB3 PHE 6 HB3 PHE 6 5.862 9.400 -15.373 50 HD1 PHE 6 HD1 PHE 6 5.388 10.268 -12.651 51 HD2 PHE 6 HD2 PHE 6 6.252 6.378 -14.147 52 HE1 PHE 6 HE1 PHE 6 6.355 9.649 -10.475 53 HE2 PHE 6 HE2 PHE 6 7.219 5.752 -11.973 54 HZ PHE 6 HZ PHE 6 7.271 7.388 -10.133 55 H ILE 7 H ILE 7 3.893 11.923 -15.292 56 HA ILE 7 HA ILE 7 2.783 11.590 -17.995 57 HB ILE 7 HB ILE 7 2.980 14.170 -16.448 58 HG12 ILE 7 HG12 ILE 7 0.362 13.617 -16.335 59 HG13 ILE 7 HG13 ILE 7 0.981 11.969 -16.328 60 HG21 ILE 7 HG21 ILE 7 1.561 15.084 -18.066 61 HG22 ILE 7 HG22 ILE 7 2.701 14.108 -18.992 62 HG23 ILE 7 HG23 ILE 7 1.078 13.498 -18.669 63 HD11 ILE 7 HD11 ILE 7 2.397 13.680 -14.469 64 HD12 ILE 7 HD12 ILE 7 0.665 13.608 -14.143 65 HD13 ILE 7 HD13 ILE 7 1.612 12.122 -14.208 66 H SER 8 H SER 8 4.412 11.369 -19.406 67 HA SER 8 HA SER 8 6.978 12.537 -19.079 68 HB2 SER 8 HB2 SER 8 6.901 11.940 -21.728 69 HB3 SER 8 HB3 SER 8 7.230 10.755 -20.465 70 HG SER 8 HG SER 8 4.663 11.331 -21.531 71 HA PRO 9 HA PRO 9 6.569 16.534 -20.837 72 HB2 PRO 9 HB2 PRO 9 8.855 16.779 -22.280 73 HB3 PRO 9 HB3 PRO 9 8.827 16.805 -20.513 74 HG2 PRO 9 HG2 PRO 9 9.496 14.549 -22.364 75 HG3 PRO 9 HG3 PRO 9 10.309 15.049 -20.869 76 HD2 PRO 9 HD2 PRO 9 8.581 12.966 -20.961 77 HD3 PRO 9 HD3 PRO 9 8.761 13.995 -19.526 78 H ASP 10 H ASP 10 6.644 13.782 -22.830 79 HA ASP 10 HA ASP 10 6.172 15.298 -25.283 80 HB2 ASP 10 HB2 ASP 10 6.776 12.430 -24.667 81 HB3 ASP 10 HB3 ASP 10 6.000 12.841 -26.194 82 H GLY 11 H GLY 11 4.276 15.051 -22.927 83 HA2 GLY 11 HA2 GLY 11 1.986 15.046 -22.703 84 HA3 GLY 11 HA3 GLY 11 1.881 14.889 -24.450 85 H SER 12 H SER 12 3.796 12.479 -23.065 86 HA SER 12 HA SER 12 1.699 10.513 -23.544 87 HB2 SER 12 HB2 SER 12 4.665 10.473 -23.449 88 HB3 SER 12 HB3 SER 12 3.843 9.001 -22.930 89 HG SER 12 HG SER 12 3.597 8.592 -24.966 90 H ARG 13 H ARG 13 2.049 8.480 -21.975 91 HA ARG 13 HA ARG 13 2.287 9.374 -19.203 92 HB2 ARG 13 HB2 ARG 13 0.135 8.089 -18.698 93 HB3 ARG 13 HB3 ARG 13 -0.033 9.662 -19.466 94 HG2 ARG 13 HG2 ARG 13 -0.442 8.646 -21.597 95 HG3 ARG 13 HG3 ARG 13 -0.089 7.044 -20.947 96 HD2 ARG 13 HD2 ARG 13 -2.009 7.322 -19.391 97 HD3 ARG 13 HD3 ARG 13 -2.394 8.838 -20.204 98 HE ARG 13 HE ARG 13 -2.263 6.884 -22.165 99 HH11 ARG 13 HH11 ARG 13 -4.171 7.583 -19.338 100 HH12 ARG 13 HH12 ARG 13 -5.597 6.812 -19.950 101 HH21 ARG 13 HH21 ARG 13 -4.134 5.866 -22.982 102 HH22 ARG 13 HH22 ARG 13 -5.575 5.835 -22.023 103 H LYS 14 H LYS 14 3.410 7.954 -18.048 104 HA LYS 14 HA LYS 14 3.781 5.252 -19.135 105 HB2 LYS 14 HB2 LYS 14 5.424 6.742 -17.079 106 HB3 LYS 14 HB3 LYS 14 5.796 5.155 -17.739 107 HG2 LYS 14 HG2 LYS 14 5.478 7.459 -19.600 108 HG3 LYS 14 HG3 LYS 14 6.967 7.298 -18.665 109 HD2 LYS 14 HD2 LYS 14 7.536 6.108 -20.538 110 HD3 LYS 14 HD3 LYS 14 6.851 4.816 -19.549 111 HE2 LYS 14 HE2 LYS 14 4.928 4.692 -20.807 112 HE3 LYS 14 HE3 LYS 14 5.059 6.359 -21.366 113 HZ1 LYS 14 HZ1 LYS 14 6.070 5.658 -23.189 114 HZ2 LYS 14 HZ2 LYS 14 5.859 4.054 -22.694 115 HZ3 LYS 14 HZ3 LYS 14 7.275 4.886 -22.286 116 H THR 15 H THR 15 3.514 3.425 -17.862 117 HA THR 15 HA THR 15 2.109 3.859 -15.306 118 HB THR 15 HB THR 15 1.660 1.507 -17.145 119 HG1 THR 15 HG1 THR 15 -0.082 2.594 -17.962 120 HG21 THR 15 HG21 THR 15 0.731 0.749 -15.235 121 HG22 THR 15 HG22 THR 15 -0.591 1.839 -15.654 122 HG23 THR 15 HG23 THR 15 0.653 2.358 -14.517 123 H TYR 16 H TYR 16 3.362 3.266 -13.668 124 HA TYR 16 HA TYR 16 4.635 0.654 -13.712 125 HB2 TYR 16 HB2 TYR 16 6.146 3.244 -13.528 126 HB3 TYR 16 HB3 TYR 16 6.763 1.791 -12.749 127 HD1 TYR 16 HD2 TYR 16 5.977 3.368 -15.976 128 HD2 TYR 16 HD1 TYR 16 7.672 -0.021 -14.043 129 HE1 TYR 16 HE2 TYR 16 6.970 2.655 -18.110 130 HE2 TYR 16 HE1 TYR 16 8.671 -0.743 -16.171 131 HH TYR 16 HH TYR 16 9.385 0.397 -18.350 132 H GLU 17 H GLU 17 4.474 -0.320 -11.790 133 HA GLU 17 HA GLU 17 3.066 0.903 -9.663 134 HB2 GLU 17 HB2 GLU 17 4.470 -1.713 -10.037 135 HB3 GLU 17 HB3 GLU 17 3.956 -1.237 -8.425 136 HG2 GLU 17 HG2 GLU 17 1.658 -1.026 -9.212 137 HG3 GLU 17 HG3 GLU 17 2.169 -1.494 -10.833 138 H ALA 18 H ALA 18 3.743 1.975 -7.911 139 HA ALA 18 HA ALA 18 6.651 2.178 -7.473 140 HB1 ALA 18 HB1 ALA 18 5.144 4.283 -6.207 141 HB2 ALA 18 HB2 ALA 18 6.450 4.389 -7.388 142 HB3 ALA 18 HB3 ALA 18 4.784 4.198 -7.932 143 H TYR 19 H TYR 19 7.299 2.618 -5.206 144 HA TYR 19 HA TYR 19 5.640 1.035 -3.362 145 HB2 TYR 19 HB2 TYR 19 8.444 0.999 -3.977 146 HB3 TYR 19 HB3 TYR 19 8.228 1.402 -2.277 147 HD1 TYR 19 HD1 TYR 19 7.474 -1.131 -4.866 148 HD2 TYR 19 HD2 TYR 19 7.558 -0.242 -0.706 149 HE1 TYR 19 HE1 TYR 19 7.106 -3.509 -4.357 150 HE2 TYR 19 HE2 TYR 19 7.191 -2.618 -0.186 151 HH TYR 19 HH TYR 19 7.770 -4.977 -1.854 152 H ASP 20 H ASP 20 6.557 1.695 -0.953 153 HA ASP 20 HA ASP 20 5.656 4.455 -0.659 154 HB2 ASP 20 HB2 ASP 20 5.621 3.827 1.809 155 HB3 ASP 20 HB3 ASP 20 4.490 2.965 0.769 156 H GLY 21 H GLY 21 7.187 5.965 -0.736 157 HA2 GLY 21 HA2 GLY 21 9.082 7.147 -0.193 158 HA3 GLY 21 HA3 GLY 21 9.289 6.047 1.162 159 H GLU 22 H GLU 22 9.061 4.399 -1.771 160 HA GLU 22 HA GLU 22 11.922 3.836 -1.697 161 HB2 GLU 22 HB2 GLU 22 10.181 2.007 -1.768 162 HB3 GLU 22 HB3 GLU 22 9.821 2.513 -3.413 163 HG2 GLU 22 HG2 GLU 22 11.312 0.917 -3.930 164 HG3 GLU 22 HG3 GLU 22 12.474 2.204 -3.614 165 H THR 23 H THR 23 13.321 4.654 -3.105 166 HA THR 23 HA THR 23 12.461 6.484 -5.127 167 HB THR 23 HB THR 23 14.523 6.966 -3.998 168 HG1 THR 23 HG1 THR 23 15.040 7.741 -5.899 169 HG21 THR 23 HG21 THR 23 15.193 4.163 -4.748 170 HG22 THR 23 HG22 THR 23 15.487 5.029 -3.240 171 HG23 THR 23 HG23 THR 23 16.504 5.337 -4.647 172 H LEU 24 H LEU 24 13.136 6.350 -7.397 173 HA LEU 24 HA LEU 24 12.181 4.073 -8.672 174 HB2 LEU 24 HB2 LEU 24 13.842 6.394 -9.550 175 HB3 LEU 24 HB3 LEU 24 13.576 5.047 -10.656 176 HG LEU 24 HG LEU 24 12.013 6.845 -11.105 177 HD11 LEU 24 HD11 LEU 24 11.309 4.158 -10.516 178 HD12 LEU 24 HD12 LEU 24 10.586 5.257 -11.690 179 HD13 LEU 24 HD13 LEU 24 9.969 5.202 -10.039 180 HD21 LEU 24 HD21 LEU 24 10.383 7.578 -9.489 181 HD22 LEU 24 HD22 LEU 24 12.001 7.801 -8.824 182 HD23 LEU 24 HD23 LEU 24 11.008 6.444 -8.291 183 H LEU 25 H LEU 25 15.331 4.771 -7.422 184 HA LEU 25 HA LEU 25 16.976 3.127 -8.904 185 HB2 LEU 25 HB2 LEU 25 16.988 3.736 -5.957 186 HB3 LEU 25 HB3 LEU 25 18.279 2.847 -6.763 187 HG LEU 25 HG LEU 25 17.495 5.606 -7.649 188 HD11 LEU 25 HD11 LEU 25 18.958 4.798 -5.220 189 HD12 LEU 25 HD12 LEU 25 18.069 6.279 -5.574 190 HD13 LEU 25 HD13 LEU 25 19.706 6.063 -6.195 191 HD21 LEU 25 HD21 LEU 25 20.276 4.916 -7.796 192 HD22 LEU 25 HD22 LEU 25 19.162 5.350 -9.092 193 HD23 LEU 25 HD23 LEU 25 19.301 3.670 -8.574 194 H SER 26 H SER 26 14.756 2.269 -6.303 195 HA SER 26 HA SER 26 15.579 -0.480 -6.219 196 HB2 SER 26 HB2 SER 26 12.925 0.406 -5.167 197 HB3 SER 26 HB3 SER 26 14.083 -0.728 -4.474 198 HG SER 26 HG SER 26 14.647 0.907 -3.284 199 H LEU 27 H LEU 27 13.204 1.384 -7.946 200 HA LEU 27 HA LEU 27 11.411 -0.593 -8.718 201 HB2 LEU 27 HB2 LEU 27 11.540 2.009 -9.167 202 HB3 LEU 27 HB3 LEU 27 12.224 1.470 -10.700 203 HG LEU 27 HG LEU 27 10.130 0.070 -10.985 204 HD11 LEU 27 HD11 LEU 27 9.667 0.752 -8.371 205 HD12 LEU 27 HD12 LEU 27 8.472 0.100 -9.492 206 HD13 LEU 27 HD13 LEU 27 8.597 1.843 -9.252 207 HD21 LEU 27 HD21 LEU 27 9.239 2.880 -10.867 208 HD22 LEU 27 HD22 LEU 27 9.220 1.735 -12.209 209 HD23 LEU 27 HD23 LEU 27 10.714 2.570 -11.783 210 H ALA 28 H ALA 28 14.607 0.161 -9.934 211 HA ALA 28 HA ALA 28 14.593 -1.202 -12.349 212 HB1 ALA 28 HB1 ALA 28 17.075 -1.541 -11.878 213 HB2 ALA 28 HB2 ALA 28 16.476 0.118 -11.882 214 HB3 ALA 28 HB3 ALA 28 16.780 -0.705 -10.353 215 H HIS 29 H HIS 29 14.743 -2.433 -9.089 216 HA HIS 29 HA HIS 29 15.647 -5.047 -9.719 217 HB2 HIS 29 HB2 HIS 29 14.130 -3.940 -7.356 218 HB3 HIS 29 HB3 HIS 29 14.655 -5.618 -7.457 219 HD1 HIS 29 HD1 HIS 29 16.497 -2.355 -8.160 220 HD2 HIS 29 HD2 HIS 29 16.846 -5.824 -5.900 221 HE1 HIS 29 HE1 HIS 29 18.709 -2.168 -6.979 222 H ARG 30 H ARG 30 12.399 -3.727 -9.104 223 HA ARG 30 HA ARG 30 10.957 -6.084 -9.460 224 HB2 ARG 30 HB2 ARG 30 10.309 -3.179 -9.709 225 HB3 ARG 30 HB3 ARG 30 9.137 -4.354 -10.288 226 HG2 ARG 30 HG2 ARG 30 9.576 -5.417 -7.904 227 HG3 ARG 30 HG3 ARG 30 10.020 -3.752 -7.524 228 HD2 ARG 30 HD2 ARG 30 7.897 -2.979 -7.797 229 HD3 ARG 30 HD3 ARG 30 7.506 -4.173 -9.034 230 HE ARG 30 HE ARG 30 7.838 -5.284 -6.401 231 HH11 ARG 30 HH11 ARG 30 5.614 -3.811 -8.637 232 HH12 ARG 30 HH12 ARG 30 4.208 -4.495 -7.892 233 HH21 ARG 30 HH21 ARG 30 5.994 -6.191 -5.411 234 HH22 ARG 30 HH22 ARG 30 4.425 -5.848 -6.056 235 H ASN 31 H ASN 31 12.461 -3.995 -11.778 236 HA ASN 31 HA ASN 31 11.074 -5.308 -13.998 237 HB2 ASN 31 HB2 ASN 31 12.673 -2.793 -13.723 238 HB3 ASN 31 HB3 ASN 31 12.554 -3.561 -15.303 239 HD21 ASN 31 HD21 ASN 31 11.360 -1.122 -13.707 240 HD22 ASN 31 HD22 ASN 31 9.719 -1.116 -14.246 241 H ASN 32 H ASN 32 13.897 -5.573 -12.196 242 HA ASN 32 HA ASN 32 15.812 -6.779 -12.422 243 HB2 ASN 32 HB2 ASN 32 13.991 -8.133 -14.391 244 HB3 ASN 32 HB3 ASN 32 15.668 -8.648 -14.228 245 HD21 ASN 32 HD21 ASN 32 12.532 -8.725 -12.892 246 HD22 ASN 32 HD22 ASN 32 12.893 -9.701 -11.513 247 H VAL 33 H VAL 33 15.658 -4.291 -13.794 248 HA VAL 33 HA VAL 33 17.012 -4.715 -16.341 249 HB VAL 33 HB VAL 33 15.269 -2.965 -16.161 250 HG11 VAL 33 HG11 VAL 33 15.813 -0.870 -14.976 251 HG12 VAL 33 HG12 VAL 33 15.643 -2.244 -13.882 252 HG13 VAL 33 HG13 VAL 33 17.247 -1.646 -14.305 253 HG21 VAL 33 HG21 VAL 33 17.963 -1.731 -16.690 254 HG22 VAL 33 HG22 VAL 33 17.194 -2.876 -17.789 255 HG23 VAL 33 HG23 VAL 33 16.418 -1.332 -17.442 256 H ASP 34 H ASP 34 19.083 -3.918 -16.809 257 HA ASP 34 HA ASP 34 20.958 -4.146 -14.674 258 HB2 ASP 34 HB2 ASP 34 22.601 -3.415 -16.506 259 HB3 ASP 34 HB3 ASP 34 21.726 -4.922 -16.760 260 H LEU 35 H LEU 35 20.222 -2.454 -13.261 261 HA LEU 35 HA LEU 35 21.461 0.108 -13.912 262 HB2 LEU 35 HB2 LEU 35 18.867 -0.031 -14.342 263 HB3 LEU 35 HB3 LEU 35 18.790 0.172 -12.593 264 HG LEU 35 HG LEU 35 18.498 2.296 -13.752 265 HD11 LEU 35 HD11 LEU 35 19.845 3.544 -12.358 266 HD12 LEU 35 HD12 LEU 35 21.216 2.447 -12.523 267 HD13 LEU 35 HD13 LEU 35 19.827 1.981 -11.541 268 HD21 LEU 35 HD21 LEU 35 20.205 1.395 -15.608 269 HD22 LEU 35 HD22 LEU 35 21.311 2.385 -14.654 270 HD23 LEU 35 HD23 LEU 35 19.865 3.108 -15.361 271 H GLU 36 H GLU 36 22.565 0.933 -12.243 272 HA GLU 36 HA GLU 36 21.861 0.150 -9.516 273 HB2 GLU 36 HB2 GLU 36 24.184 -0.418 -8.977 274 HB3 GLU 36 HB3 GLU 36 23.535 -1.483 -10.216 275 HG2 GLU 36 HG2 GLU 36 25.050 0.932 -11.059 276 HG3 GLU 36 HG3 GLU 36 25.936 -0.454 -10.424 277 H GLY 37 H GLY 37 23.151 1.421 -7.886 278 HA2 GLY 37 HA2 GLY 37 24.683 3.452 -7.801 279 HA3 GLY 37 HA3 GLY 37 23.524 4.162 -8.915 280 H ALA 38 H ALA 38 22.818 2.122 -6.118 281 HA ALA 38 HA ALA 38 21.001 4.148 -5.116 282 HB1 ALA 38 HB1 ALA 38 20.075 2.495 -3.770 283 HB2 ALA 38 HB2 ALA 38 20.571 1.610 -5.214 284 HB3 ALA 38 HB3 ALA 38 21.557 1.540 -3.754 285 H CYS 39 H CYS 39 22.008 5.787 -4.097 286 HA CYS 39 HA CYS 39 24.359 5.435 -2.512 287 HB2 CYS 39 HB2 CYS 39 22.575 7.705 -3.232 288 HB3 CYS 39 HB3 CYS 39 23.559 7.881 -1.785 289 HG CYS 39 HG CYS 39 24.707 9.111 -4.125 290 H GLU 40 H GLU 40 21.303 6.920 -1.461 291 HA GLU 40 HA GLU 40 21.456 5.310 0.999 292 HB2 GLU 40 HB2 GLU 40 21.032 8.271 0.701 293 HB3 GLU 40 HB3 GLU 40 20.434 7.409 2.112 294 HG2 GLU 40 HG2 GLU 40 23.301 7.532 1.203 295 HG3 GLU 40 HG3 GLU 40 22.595 8.436 2.541 296 H GLY 41 H GLY 41 19.619 4.319 1.577 297 HA2 GLY 41 HA2 GLY 41 17.172 5.043 0.089 298 HA3 GLY 41 HA3 GLY 41 17.556 3.416 0.631 299 H SER 42 H SER 42 15.279 5.378 1.142 300 HA SER 42 HA SER 42 15.053 4.778 3.974 301 HB2 SER 42 HB2 SER 42 14.765 6.973 4.747 302 HB3 SER 42 HB3 SER 42 16.128 7.113 3.637 303 HG SER 42 HG SER 42 14.757 8.730 3.083 304 H LEU 43 H LEU 43 12.807 5.835 4.725 305 HA LEU 43 HA LEU 43 10.849 5.122 2.642 306 HB2 LEU 43 HB2 LEU 43 10.755 4.724 5.624 307 HB3 LEU 43 HB3 LEU 43 9.354 4.524 4.573 308 HG LEU 43 HG LEU 43 10.799 2.785 3.336 309 HD11 LEU 43 HD11 LEU 43 12.941 3.154 4.221 310 HD12 LEU 43 HD12 LEU 43 12.387 1.656 4.968 311 HD13 LEU 43 HD13 LEU 43 12.346 3.164 5.882 312 HD21 LEU 43 HD21 LEU 43 10.345 1.386 5.733 313 HD22 LEU 43 HD22 LEU 43 9.291 1.491 4.323 314 HD23 LEU 43 HD23 LEU 43 9.113 2.645 5.646 315 H ALA 44 H ALA 44 8.577 6.037 3.315 316 HA ALA 44 HA ALA 44 8.954 8.881 3.997 317 HB1 ALA 44 HB1 ALA 44 8.359 8.475 1.631 318 HB2 ALA 44 HB2 ALA 44 6.857 7.721 2.168 319 HB3 ALA 44 HB3 ALA 44 7.152 9.429 2.494 320 H CYS 45 H CYS 45 6.524 9.789 4.427 321 HA CYS 45 HA CYS 45 4.814 8.081 5.923 322 HB2 CYS 45 HB2 CYS 45 5.198 9.217 8.139 323 HB3 CYS 45 HB3 CYS 45 6.494 8.146 7.621 324 HG CYS 45 HG CYS 45 7.988 10.092 8.618 325 H SER 46 H SER 46 3.426 9.702 7.484 326 HA SER 46 HA SER 46 2.255 11.562 5.603 327 HB2 SER 46 HB2 SER 46 1.453 10.411 8.244 328 HB3 SER 46 HB3 SER 46 0.687 11.905 7.705 329 HG SER 46 HG SER 46 -0.455 10.027 7.028 330 H THR 47 H THR 47 4.348 12.844 5.723 331 HA THR 47 HA THR 47 3.911 15.081 7.528 332 HB THR 47 HB THR 47 6.213 15.172 8.314 333 HG1 THR 47 HG1 THR 47 7.723 13.838 7.580 334 HG21 THR 47 HG21 THR 47 4.536 13.914 9.636 335 HG22 THR 47 HG22 THR 47 6.176 13.305 9.857 336 HG23 THR 47 HG23 THR 47 5.044 12.435 8.823 337 H CYS 48 H CYS 48 6.010 16.645 7.059 338 HA CYS 48 HA CYS 48 5.573 17.748 4.568 339 HB2 CYS 48 HB2 CYS 48 7.933 17.930 6.432 340 HB3 CYS 48 HB3 CYS 48 7.863 18.845 4.930 341 HG CYS 48 HG CYS 48 7.115 20.744 6.643 342 H HIS 49 H HIS 49 7.727 15.166 5.485 343 HA HIS 49 HA HIS 49 9.351 15.176 3.164 344 HB2 HIS 49 HB2 HIS 49 9.978 14.028 5.264 345 HB3 HIS 49 HB3 HIS 49 8.686 12.862 4.998 346 HD1 HIS 49 HD1 HIS 49 12.197 13.357 4.405 347 HD2 HIS 49 HD2 HIS 49 9.113 11.374 2.450 348 HE1 HIS 49 HE1 HIS 49 13.322 11.726 2.856 349 H VAL 50 H VAL 50 7.970 15.381 1.379 350 HA VAL 50 HA VAL 50 6.846 12.855 0.474 351 HB VAL 50 HB VAL 50 4.741 13.979 -0.292 352 HG11 VAL 50 HG11 VAL 50 3.657 13.919 1.943 353 HG12 VAL 50 HG12 VAL 50 4.676 12.516 1.615 354 HG13 VAL 50 HG13 VAL 50 5.258 13.803 2.673 355 HG21 VAL 50 HG21 VAL 50 6.053 16.289 0.526 356 HG22 VAL 50 HG22 VAL 50 4.370 16.153 0.018 357 HG23 VAL 50 HG23 VAL 50 4.785 16.046 1.729 358 H ILE 51 H ILE 51 6.000 13.139 -1.854 359 HA ILE 51 HA ILE 51 7.535 15.166 -3.315 360 HB ILE 51 HB ILE 51 9.013 13.357 -3.517 361 HG12 ILE 51 HG12 ILE 51 7.205 13.105 -5.928 362 HG13 ILE 51 HG13 ILE 51 8.345 14.424 -5.682 363 HG21 ILE 51 HG21 ILE 51 7.602 11.632 -2.559 364 HG22 ILE 51 HG22 ILE 51 6.626 11.587 -4.026 365 HG23 ILE 51 HG23 ILE 51 8.311 11.068 -4.072 366 HD11 ILE 51 HD11 ILE 51 8.795 11.715 -6.630 367 HD12 ILE 51 HD12 ILE 51 9.775 13.168 -6.827 368 HD13 ILE 51 HD13 ILE 51 9.914 12.203 -5.358 369 H ILE 52 H ILE 52 6.044 16.277 -4.390 370 HA ILE 52 HA ILE 52 3.999 14.777 -5.884 371 HB ILE 52 HB ILE 52 2.615 16.990 -5.493 372 HG12 ILE 52 HG12 ILE 52 2.940 17.871 -3.217 373 HG13 ILE 52 HG13 ILE 52 4.345 16.830 -3.014 374 HG21 ILE 52 HG21 ILE 52 1.545 15.894 -3.537 375 HG22 ILE 52 HG22 ILE 52 1.812 14.808 -4.899 376 HG23 ILE 52 HG23 ILE 52 2.883 14.747 -3.500 377 HD11 ILE 52 HD11 ILE 52 4.399 18.619 -5.349 378 HD12 ILE 52 HD12 ILE 52 4.487 19.394 -3.767 379 HD13 ILE 52 HD13 ILE 52 5.679 18.177 -4.220 380 H ASP 53 H ASP 53 3.105 15.969 -7.730 381 HA ASP 53 HA ASP 53 5.016 16.880 -9.487 382 HB2 ASP 53 HB2 ASP 53 2.937 18.074 -10.586 383 HB3 ASP 53 HB3 ASP 53 3.048 16.317 -10.546 384 HA PRO 54 HA PRO 54 5.975 21.058 -8.561 385 HB2 PRO 54 HB2 PRO 54 6.085 22.203 -11.020 386 HB3 PRO 54 HB3 PRO 54 7.309 21.072 -10.432 387 HG2 PRO 54 HG2 PRO 54 4.986 20.570 -12.252 388 HG3 PRO 54 HG3 PRO 54 6.655 19.984 -12.380 389 HD2 PRO 54 HD2 PRO 54 4.639 18.448 -11.425 390 HD3 PRO 54 HD3 PRO 54 6.311 18.296 -10.848 391 H SER 55 H SER 55 3.054 20.327 -10.230 392 HA SER 55 HA SER 55 2.021 22.996 -10.329 393 HB2 SER 55 HB2 SER 55 0.971 21.671 -11.903 394 HB3 SER 55 HB3 SER 55 0.933 20.260 -10.846 395 HG SER 55 HG SER 55 -0.642 22.594 -10.481 396 H TRP 56 H TRP 56 2.187 20.519 -7.944 397 HA TRP 56 HA TRP 56 0.225 21.925 -6.265 398 HB2 TRP 56 HB2 TRP 56 1.267 19.102 -6.253 399 HB3 TRP 56 HB3 TRP 56 0.478 19.786 -4.834 400 HD1 TRP 56 HD1 TRP 56 -0.776 20.597 -8.359 401 HE1 TRP 56 HE1 TRP 56 -3.121 19.576 -8.651 402 HE3 TRP 56 HE3 TRP 56 -1.041 17.918 -4.013 403 HZ2 TRP 56 HZ2 TRP 56 -4.854 17.862 -7.227 404 HZ3 TRP 56 HZ3 TRP 56 -3.077 16.615 -3.553 405 HH2 TRP 56 HH2 TRP 56 -4.943 16.590 -5.128 406 H TYR 57 H TYR 57 3.564 21.234 -6.643 407 HA TYR 57 HA TYR 57 4.514 21.371 -4.035 408 HB2 TYR 57 HB2 TYR 57 5.979 20.772 -5.863 409 HB3 TYR 57 HB3 TYR 57 5.774 22.357 -6.601 410 HD1 TYR 57 HD2 TYR 57 6.529 21.328 -3.090 411 HD2 TYR 57 HD1 TYR 57 7.811 23.449 -6.548 412 HE1 TYR 57 HE2 TYR 57 8.487 22.152 -1.851 413 HE2 TYR 57 HE1 TYR 57 9.774 24.279 -5.319 414 HH TYR 57 HH TYR 57 10.675 23.035 -2.242 415 H ASP 58 H ASP 58 3.861 23.998 -6.327 416 HA ASP 58 HA ASP 58 4.699 26.082 -4.591 417 HB2 ASP 58 HB2 ASP 58 4.465 26.228 -7.106 418 HB3 ASP 58 HB3 ASP 58 2.724 26.329 -6.862 419 H ILE 59 H ILE 59 1.739 24.309 -4.969 420 HA ILE 59 HA ILE 59 0.074 26.186 -3.590 421 HB ILE 59 HB ILE 59 -0.362 23.255 -4.172 422 HG12 ILE 59 HG12 ILE 59 -1.554 25.670 -5.542 423 HG13 ILE 59 HG13 ILE 59 -0.131 24.823 -6.138 424 HG21 ILE 59 HG21 ILE 59 -2.232 25.363 -3.108 425 HG22 ILE 59 HG22 ILE 59 -2.763 23.811 -3.754 426 HG23 ILE 59 HG23 ILE 59 -1.739 23.864 -2.319 427 HD11 ILE 59 HD11 ILE 59 -1.612 22.736 -6.122 428 HD12 ILE 59 HD12 ILE 59 -2.959 23.866 -5.986 429 HD13 ILE 59 HD13 ILE 59 -1.881 23.943 -7.379 430 H VAL 60 H VAL 60 1.552 23.072 -2.703 431 HA VAL 60 HA VAL 60 0.653 23.089 -0.023 432 HB VAL 60 HB VAL 60 2.375 21.363 0.374 433 HG11 VAL 60 HG11 VAL 60 0.939 19.898 -0.478 434 HG12 VAL 60 HG12 VAL 60 0.156 21.231 -1.329 435 HG13 VAL 60 HG13 VAL 60 1.428 20.302 -2.123 436 HG21 VAL 60 HG21 VAL 60 3.238 22.125 -2.405 437 HG22 VAL 60 HG22 VAL 60 4.206 22.102 -0.931 438 HG23 VAL 60 HG23 VAL 60 3.669 20.587 -1.658 439 H GLU 61 H GLU 61 3.298 24.638 -1.628 440 HA GLU 61 HA GLU 61 4.845 25.119 0.743 441 HB2 GLU 61 HB2 GLU 61 6.032 25.032 -1.329 442 HB3 GLU 61 HB3 GLU 61 4.975 26.232 -2.058 443 HG2 GLU 61 HG2 GLU 61 5.876 27.962 -0.675 444 HG3 GLU 61 HG3 GLU 61 6.807 26.793 0.260 445 H GLN 62 H GLN 62 2.360 26.803 -1.050 446 HA GLN 62 HA GLN 62 2.690 29.229 0.520 447 HB2 GLN 62 HB2 GLN 62 1.017 30.195 -0.906 448 HB3 GLN 62 HB3 GLN 62 2.154 29.313 -1.916 449 HG2 GLN 62 HG2 GLN 62 0.615 27.509 -2.194 450 HG3 GLN 62 HG3 GLN 62 -0.488 28.203 -1.007 451 HE21 GLN 62 HE21 GLN 62 0.668 28.318 -4.257 452 HE22 GLN 62 HE22 GLN 62 -0.498 29.441 -4.859 453 H HIS 63 H HIS 63 0.690 26.397 0.409 454 HA HIS 63 HA HIS 63 -1.411 27.460 2.051 455 HB2 HIS 63 HB2 HIS 63 -1.769 25.603 0.440 456 HB3 HIS 63 HB3 HIS 63 -0.746 24.573 1.437 457 HD1 HIS 63 HD1 HIS 63 -4.172 25.957 1.186 458 HD2 HIS 63 HD2 HIS 63 -1.906 23.794 3.915 459 HE1 HIS 63 HE1 HIS 63 -5.819 25.045 2.854 460 H ASN 64 H ASN 64 1.651 25.948 2.591 461 HA ASN 64 HA ASN 64 1.051 25.767 5.470 462 HB2 ASN 64 HB2 ASN 64 2.688 24.058 3.655 463 HB3 ASN 64 HB3 ASN 64 3.233 24.250 5.318 464 HD21 ASN 64 HD21 ASN 64 2.816 22.217 6.013 465 HD22 ASN 64 HD22 ASN 64 1.230 21.542 6.121 466 H GLU 65 H GLU 65 1.959 27.308 6.646 467 HA GLU 65 HA GLU 65 3.775 29.196 5.697 468 HB2 GLU 65 HB2 GLU 65 3.952 29.978 7.954 469 HB3 GLU 65 HB3 GLU 65 2.295 29.450 7.698 470 HG2 GLU 65 HG2 GLU 65 3.034 27.234 8.732 471 HG3 GLU 65 HG3 GLU 65 4.462 28.114 9.274 472 H ILE 66 H ILE 66 5.989 29.572 6.213 473 HA ILE 66 HA ILE 66 7.495 27.131 6.889 474 HB ILE 66 HB ILE 66 9.298 28.408 5.382 475 HG12 ILE 66 HG12 ILE 66 8.130 29.268 3.344 476 HG13 ILE 66 HG13 ILE 66 6.609 29.166 4.223 477 HG21 ILE 66 HG21 ILE 66 9.144 26.491 4.275 478 HG22 ILE 66 HG22 ILE 66 7.644 26.154 5.139 479 HG23 ILE 66 HG23 ILE 66 7.597 26.972 3.577 480 HD11 ILE 66 HD11 ILE 66 8.783 30.702 5.499 481 HD12 ILE 66 HD12 ILE 66 8.039 31.398 4.059 482 HD13 ILE 66 HD13 ILE 66 7.046 31.002 5.461 483 H SER 67 H SER 67 9.236 27.343 8.234 484 HA SER 67 HA SER 67 9.365 29.776 9.784 485 HB2 SER 67 HB2 SER 67 11.176 27.391 10.115 486 HB3 SER 67 HB3 SER 67 10.663 28.556 11.335 487 HG SER 67 HG SER 67 9.513 26.246 10.650 488 H ASP 68 H ASP 68 11.454 30.789 10.319 489 HA ASP 68 HA ASP 68 12.767 31.768 8.085 490 HB2 ASP 68 HB2 ASP 68 14.590 32.416 9.790 491 HB3 ASP 68 HB3 ASP 68 12.967 33.057 10.034 492 H GLU 69 H GLU 69 13.491 28.962 10.058 493 HA GLU 69 HA GLU 69 16.042 28.493 8.792 494 HB2 GLU 69 HB2 GLU 69 16.172 26.522 10.173 495 HB3 GLU 69 HB3 GLU 69 15.593 27.861 11.153 496 HG2 GLU 69 HG2 GLU 69 13.301 27.033 10.920 497 HG3 GLU 69 HG3 GLU 69 13.897 25.679 9.961 498 H GLU 70 H GLU 70 12.747 27.323 8.502 499 HA GLU 70 HA GLU 70 13.329 25.124 6.802 500 HB2 GLU 70 HB2 GLU 70 11.155 25.788 8.177 501 HB3 GLU 70 HB3 GLU 70 10.698 26.515 6.642 502 HG2 GLU 70 HG2 GLU 70 9.785 24.444 6.404 503 HG3 GLU 70 HG3 GLU 70 11.372 24.171 5.687 504 H ASN 71 H ASN 71 11.850 28.289 6.067 505 HA ASN 71 HA ASN 71 11.853 28.051 3.300 506 HB2 ASN 71 HB2 ASN 71 10.680 29.831 4.589 507 HB3 ASN 71 HB3 ASN 71 12.236 30.603 4.880 508 HD21 ASN 71 HD21 ASN 71 12.977 31.998 3.428 509 HD22 ASN 71 HD22 ASN 71 12.302 32.261 1.860 510 H ASP 72 H ASP 72 14.455 28.736 5.482 511 HA ASP 72 HA ASP 72 16.224 29.739 3.428 512 HB2 ASP 72 HB2 ASP 72 16.642 30.674 5.546 513 HB3 ASP 72 HB3 ASP 72 16.544 29.112 6.353 514 H MET 73 H MET 73 15.441 26.694 4.884 515 HA MET 73 HA MET 73 17.746 25.223 4.396 516 HB2 MET 73 HB2 MET 73 15.624 24.505 5.621 517 HB3 MET 73 HB3 MET 73 14.964 24.123 4.036 518 HG2 MET 73 HG2 MET 73 16.530 22.418 3.672 519 HG3 MET 73 HG3 MET 73 17.560 22.971 4.991 520 HE1 MET 73 HE1 MET 73 17.433 20.289 6.600 521 HE2 MET 73 HE2 MET 73 16.224 19.389 5.685 522 HE3 MET 73 HE3 MET 73 17.424 20.366 4.838 523 H LEU 74 H LEU 74 15.344 26.405 2.192 524 HA LEU 74 HA LEU 74 15.643 24.693 0.033 525 HB2 LEU 74 HB2 LEU 74 13.955 26.436 0.119 526 HB3 LEU 74 HB3 LEU 74 15.205 27.675 0.030 527 HG LEU 74 HG LEU 74 15.786 26.690 -2.251 528 HD11 LEU 74 HD11 LEU 74 14.766 24.761 -2.720 529 HD12 LEU 74 HD12 LEU 74 13.342 25.744 -3.057 530 HD13 LEU 74 HD13 LEU 74 13.543 25.000 -1.472 531 HD21 LEU 74 HD21 LEU 74 13.072 27.960 -1.906 532 HD22 LEU 74 HD22 LEU 74 14.075 27.993 -3.357 533 HD23 LEU 74 HD23 LEU 74 14.608 28.828 -1.896 534 H ASP 75 H ASP 75 17.526 27.595 0.839 535 HA ASP 75 HA ASP 75 19.202 27.640 -1.376 536 HB2 ASP 75 HB2 ASP 75 18.957 29.251 0.713 537 HB3 ASP 75 HB3 ASP 75 20.332 28.321 1.303 538 H LEU 76 H LEU 76 19.189 25.523 1.366 539 HA LEU 76 HA LEU 76 21.860 24.517 0.844 540 HB2 LEU 76 HB2 LEU 76 19.752 24.000 2.890 541 HB3 LEU 76 HB3 LEU 76 21.022 22.803 2.643 542 HG LEU 76 HG LEU 76 21.521 24.289 4.519 543 HD11 LEU 76 HD11 LEU 76 23.431 25.018 2.335 544 HD12 LEU 76 HD12 LEU 76 23.278 23.348 2.880 545 HD13 LEU 76 HD13 LEU 76 23.761 24.606 4.018 546 HD21 LEU 76 HD21 LEU 76 20.340 26.254 3.145 547 HD22 LEU 76 HD22 LEU 76 22.021 26.599 2.740 548 HD23 LEU 76 HD23 LEU 76 21.512 26.553 4.428 549 H ALA 77 H ALA 77 18.572 23.726 0.090 550 HA ALA 77 HA ALA 77 18.683 21.020 -0.435 551 HB1 ALA 77 HB1 ALA 77 17.233 22.871 -2.288 552 HB2 ALA 77 HB2 ALA 77 16.750 21.281 -1.694 553 HB3 ALA 77 HB3 ALA 77 16.712 22.675 -0.614 554 H PHE 78 H PHE 78 20.160 19.951 -1.570 555 HA PHE 78 HA PHE 78 20.955 21.030 -4.190 556 HB2 PHE 78 HB2 PHE 78 22.680 21.026 -2.161 557 HB3 PHE 78 HB3 PHE 78 22.892 19.354 -2.668 558 HD1 PHE 78 HD1 PHE 78 22.559 22.673 -4.350 559 HD2 PHE 78 HD2 PHE 78 24.688 19.001 -4.034 560 HE1 PHE 78 HE1 PHE 78 24.090 23.413 -6.128 561 HE2 PHE 78 HE2 PHE 78 26.224 19.735 -5.811 562 HZ PHE 78 HZ PHE 78 25.926 21.944 -6.860 563 H GLY 79 H GLY 79 20.547 19.698 -5.827 564 HA2 GLY 79 HA2 GLY 79 20.632 17.618 -6.952 565 HA3 GLY 79 HA3 GLY 79 20.656 16.804 -5.395 566 H LEU 80 H LEU 80 18.431 18.179 -4.252 567 HA LEU 80 HA LEU 80 16.334 16.526 -5.002 568 HB2 LEU 80 HB2 LEU 80 16.614 17.951 -2.901 569 HB3 LEU 80 HB3 LEU 80 15.929 19.270 -3.848 570 HG LEU 80 HG LEU 80 13.951 17.642 -4.236 571 HD11 LEU 80 HD11 LEU 80 14.539 16.501 -1.593 572 HD12 LEU 80 HD12 LEU 80 15.519 15.878 -2.919 573 HD13 LEU 80 HD13 LEU 80 13.761 15.776 -3.000 574 HD21 LEU 80 HD21 LEU 80 12.843 18.485 -2.283 575 HD22 LEU 80 HD22 LEU 80 13.927 19.735 -2.893 576 HD23 LEU 80 HD23 LEU 80 14.385 18.784 -1.480 577 H THR 81 H THR 81 14.307 17.017 -6.043 578 HA THR 81 HA THR 81 14.701 18.532 -8.478 579 HB THR 81 HB THR 81 12.250 17.708 -8.867 580 HG1 THR 81 HG1 THR 81 11.499 16.317 -7.443 581 HG21 THR 81 HG21 THR 81 14.812 16.584 -9.325 582 HG22 THR 81 HG22 THR 81 13.331 16.337 -10.249 583 HG23 THR 81 HG23 THR 81 13.721 15.266 -8.903 584 H ASP 82 H ASP 82 12.716 19.821 -9.269 585 HA ASP 82 HA ASP 82 12.221 21.883 -7.294 586 HB2 ASP 82 HB2 ASP 82 11.359 21.735 -10.191 587 HB3 ASP 82 HB3 ASP 82 11.282 23.158 -9.155 588 H THR 83 H THR 83 10.790 19.035 -7.909 589 HA THR 83 HA THR 83 8.051 20.029 -7.524 590 HB THR 83 HB THR 83 7.224 17.992 -8.352 591 HG1 THR 83 HG1 THR 83 8.318 16.123 -8.279 592 HG21 THR 83 HG21 THR 83 8.204 17.761 -10.513 593 HG22 THR 83 HG22 THR 83 9.760 18.360 -9.939 594 HG23 THR 83 HG23 THR 83 8.381 19.453 -10.048 595 H SER 84 H SER 84 10.644 18.403 -5.962 596 HA SER 84 HA SER 84 9.003 17.170 -3.927 597 HB2 SER 84 HB2 SER 84 11.235 16.265 -4.774 598 HB3 SER 84 HB3 SER 84 11.998 17.546 -3.833 599 HG SER 84 HG SER 84 10.475 15.350 -2.928 600 H ARG 85 H ARG 85 9.791 17.590 -1.564 601 HA ARG 85 HA ARG 85 9.681 20.500 -1.149 602 HB2 ARG 85 HB2 ARG 85 8.514 18.173 0.291 603 HB3 ARG 85 HB3 ARG 85 8.997 19.561 1.257 604 HG2 ARG 85 HG2 ARG 85 7.523 21.002 0.044 605 HG3 ARG 85 HG3 ARG 85 7.149 19.721 -1.112 606 HD2 ARG 85 HD2 ARG 85 5.696 18.707 0.285 607 HD3 ARG 85 HD3 ARG 85 6.666 19.059 1.715 608 HE ARG 85 HE ARG 85 4.514 20.642 0.641 609 HH11 ARG 85 HH11 ARG 85 7.371 20.642 2.630 610 HH12 ARG 85 HH12 ARG 85 6.895 22.035 3.542 611 HH21 ARG 85 HH21 ARG 85 3.875 22.477 1.835 612 HH22 ARG 85 HH22 ARG 85 4.906 23.078 3.089 613 H LEU 86 H LEU 86 10.696 21.230 0.955 614 HA LEU 86 HA LEU 86 13.425 20.844 0.924 615 HB2 LEU 86 HB2 LEU 86 11.756 21.595 3.319 616 HB3 LEU 86 HB3 LEU 86 13.478 21.904 3.113 617 HG LEU 86 HG LEU 86 11.356 23.094 1.336 618 HD11 LEU 86 HD11 LEU 86 10.808 24.094 3.331 619 HD12 LEU 86 HD12 LEU 86 12.047 25.193 2.725 620 HD13 LEU 86 HD13 LEU 86 12.454 23.999 3.957 621 HD21 LEU 86 HD21 LEU 86 13.285 24.758 1.009 622 HD22 LEU 86 HD22 LEU 86 13.395 23.189 0.211 623 HD23 LEU 86 HD23 LEU 86 14.306 23.492 1.691 624 H GLY 87 H GLY 87 14.887 19.686 2.220 625 HA2 GLY 87 HA2 GLY 87 15.668 17.766 3.211 626 HA3 GLY 87 HA3 GLY 87 14.313 17.972 4.312 627 H CYS 88 H CYS 88 15.307 16.534 1.248 628 HA CYS 88 HA CYS 88 13.835 14.159 1.748 629 HB2 CYS 88 HB2 CYS 88 12.147 16.015 0.871 630 HB3 CYS 88 HB3 CYS 88 12.795 15.527 -0.690 631 HG CYS 88 HG CYS 88 11.806 13.051 -0.740 632 H GLN 89 H GLN 89 13.936 12.650 -0.162 633 HA GLN 89 HA GLN 89 16.310 13.234 -1.807 634 HB2 GLN 89 HB2 GLN 89 15.550 10.702 -0.365 635 HB3 GLN 89 HB3 GLN 89 16.692 10.703 -1.702 636 HG2 GLN 89 HG2 GLN 89 18.038 10.797 0.183 637 HG3 GLN 89 HG3 GLN 89 17.968 12.470 -0.368 638 HE21 GLN 89 HE21 GLN 89 18.601 13.019 1.796 639 HE22 GLN 89 HE22 GLN 89 17.413 13.095 3.049 640 H ILE 90 H ILE 90 13.384 13.485 -2.339 641 HA ILE 90 HA ILE 90 11.867 13.027 -3.978 642 HB ILE 90 HB ILE 90 14.021 12.033 -5.780 643 HG12 ILE 90 HG12 ILE 90 13.807 14.884 -4.790 644 HG13 ILE 90 HG13 ILE 90 15.154 13.785 -4.515 645 HG21 ILE 90 HG21 ILE 90 12.862 13.462 -7.392 646 HG22 ILE 90 HG22 ILE 90 11.752 12.333 -6.615 647 HG23 ILE 90 HG23 ILE 90 11.782 14.024 -6.116 648 HD11 ILE 90 HD11 ILE 90 15.987 14.997 -6.242 649 HD12 ILE 90 HD12 ILE 90 15.173 13.725 -7.153 650 HD13 ILE 90 HD13 ILE 90 14.399 15.296 -6.947 651 H ILE 91 H ILE 91 11.323 11.148 -2.491 652 HA ILE 91 HA ILE 91 11.658 8.620 -3.970 653 HB ILE 91 HB ILE 91 11.204 7.544 -1.672 654 HG12 ILE 91 HG12 ILE 91 12.178 10.273 -0.800 655 HG13 ILE 91 HG13 ILE 91 10.569 9.619 -0.515 656 HG21 ILE 91 HG21 ILE 91 13.828 8.499 -1.237 657 HG22 ILE 91 HG22 ILE 91 13.326 6.977 -1.971 658 HG23 ILE 91 HG23 ILE 91 13.584 8.399 -2.981 659 HD11 ILE 91 HD11 ILE 91 11.258 8.644 1.342 660 HD12 ILE 91 HD12 ILE 91 12.533 7.793 0.471 661 HD13 ILE 91 HD13 ILE 91 12.832 9.405 1.118 662 H LEU 92 H LEU 92 9.796 8.344 -5.038 663 HA LEU 92 HA LEU 92 7.310 9.358 -4.487 664 HB2 LEU 92 HB2 LEU 92 6.430 7.343 -5.747 665 HB3 LEU 92 HB3 LEU 92 7.619 8.347 -6.575 666 HG LEU 92 HG LEU 92 9.322 6.581 -5.703 667 HD11 LEU 92 HD11 LEU 92 8.152 5.195 -4.295 668 HD12 LEU 92 HD12 LEU 92 8.061 4.297 -5.809 669 HD13 LEU 92 HD13 LEU 92 6.685 5.259 -5.271 670 HD21 LEU 92 HD21 LEU 92 8.869 5.188 -7.717 671 HD22 LEU 92 HD22 LEU 92 8.911 6.922 -8.038 672 HD23 LEU 92 HD23 LEU 92 7.364 6.080 -7.939 673 H THR 93 H THR 93 5.322 8.142 -3.820 674 HA THR 93 HA THR 93 5.676 6.004 -1.909 675 HB THR 93 HB THR 93 6.119 7.609 -0.296 676 HG1 THR 93 HG1 THR 93 4.429 7.325 0.991 677 HG21 THR 93 HG21 THR 93 4.064 9.395 -1.607 678 HG22 THR 93 HG22 THR 93 5.815 9.582 -1.691 679 HG23 THR 93 HG23 THR 93 4.979 9.789 -0.152 680 H LYS 94 H LYS 94 3.583 5.270 -1.008 681 HA LYS 94 HA LYS 94 1.658 4.945 -3.011 682 HB2 LYS 94 HB2 LYS 94 1.501 3.255 -1.482 683 HB3 LYS 94 HB3 LYS 94 1.844 4.312 -0.118 684 HG2 LYS 94 HG2 LYS 94 -0.385 5.084 -0.030 685 HG3 LYS 94 HG3 LYS 94 -0.767 4.378 -1.602 686 HD2 LYS 94 HD2 LYS 94 -0.977 2.268 -0.756 687 HD3 LYS 94 HD3 LYS 94 0.191 2.553 0.536 688 HE2 LYS 94 HE2 LYS 94 -1.602 4.157 1.480 689 HE3 LYS 94 HE3 LYS 94 -2.708 3.302 0.406 690 HZ1 LYS 94 HZ1 LYS 94 -1.628 2.478 2.909 691 HZ2 LYS 94 HZ2 LYS 94 -1.310 1.333 1.705 692 HZ3 LYS 94 HZ3 LYS 94 -2.902 1.809 2.019 693 H GLU 95 H GLU 95 2.176 7.531 -0.854 694 HA GLU 95 HA GLU 95 -0.366 8.528 -0.391 695 HB2 GLU 95 HB2 GLU 95 2.343 9.738 -0.619 696 HB3 GLU 95 HB3 GLU 95 0.964 10.827 -0.651 697 HG2 GLU 95 HG2 GLU 95 1.619 10.731 1.589 698 HG3 GLU 95 HG3 GLU 95 0.200 9.691 1.481 699 H LEU 96 H LEU 96 1.449 8.414 -3.329 700 HA LEU 96 HA LEU 96 -0.381 10.274 -4.656 701 HB2 LEU 96 HB2 LEU 96 2.084 8.911 -5.729 702 HB3 LEU 96 HB3 LEU 96 1.151 10.168 -6.539 703 HG LEU 96 HG LEU 96 1.782 11.578 -4.423 704 HD11 LEU 96 HD11 LEU 96 3.776 9.336 -4.397 705 HD12 LEU 96 HD12 LEU 96 2.838 9.998 -3.058 706 HD13 LEU 96 HD13 LEU 96 4.160 10.934 -3.756 707 HD21 LEU 96 HD21 LEU 96 2.735 11.373 -7.011 708 HD22 LEU 96 HD22 LEU 96 4.193 11.338 -6.019 709 HD23 LEU 96 HD23 LEU 96 3.060 12.683 -5.875 710 H ASP 97 H ASP 97 -0.952 7.428 -3.754 711 HA ASP 97 HA ASP 97 -1.203 5.753 -5.989 712 HB2 ASP 97 HB2 ASP 97 -1.442 4.703 -3.902 713 HB3 ASP 97 HB3 ASP 97 -2.623 5.884 -3.342 714 H GLY 98 H GLY 98 -2.351 6.069 -7.771 715 HA2 GLY 98 HA2 GLY 98 -4.253 6.412 -9.062 716 HA3 GLY 98 HA3 GLY 98 -5.117 6.894 -7.609 717 H LEU 99 H LEU 99 -2.391 8.653 -7.498 718 HA LEU 99 HA LEU 99 -3.718 10.965 -8.709 719 HB2 LEU 99 HB2 LEU 99 -1.704 10.578 -6.561 720 HB3 LEU 99 HB3 LEU 99 -1.648 12.081 -7.480 721 HG LEU 99 HG LEU 99 -4.086 11.094 -6.005 722 HD11 LEU 99 HD11 LEU 99 -1.860 12.918 -5.151 723 HD12 LEU 99 HD12 LEU 99 -2.514 11.511 -4.313 724 HD13 LEU 99 HD13 LEU 99 -3.468 12.991 -4.429 725 HD21 LEU 99 HD21 LEU 99 -3.394 13.772 -7.210 726 HD22 LEU 99 HD22 LEU 99 -4.858 13.394 -6.302 727 HD23 LEU 99 HD23 LEU 99 -4.556 12.613 -7.855 728 H CYS 100 H CYS 100 -2.566 12.426 -10.060 729 HA CYS 100 HA CYS 100 -0.463 11.100 -11.621 730 HB2 CYS 100 HB2 CYS 100 -1.036 12.751 -13.388 731 HB3 CYS 100 HB3 CYS 100 -2.398 11.738 -12.927 732 HG CYS 100 HG CYS 100 -3.722 13.665 -11.484 733 H VAL 101 H VAL 101 1.562 11.824 -11.578 734 HA VAL 101 HA VAL 101 2.102 14.607 -10.871 735 HB VAL 101 HB VAL 101 3.789 14.034 -9.228 736 HG11 VAL 101 HG11 VAL 101 1.224 14.166 -8.712 737 HG12 VAL 101 HG12 VAL 101 1.426 12.457 -8.319 738 HG13 VAL 101 HG13 VAL 101 2.365 13.678 -7.459 739 HG21 VAL 101 HG21 VAL 101 2.930 11.167 -9.611 740 HG22 VAL 101 HG22 VAL 101 4.450 11.864 -10.173 741 HG23 VAL 101 HG23 VAL 101 4.116 11.755 -8.445 742 H ILE 102 H ILE 102 4.463 15.130 -11.171 743 HA ILE 102 HA ILE 102 5.332 14.004 -13.697 744 HB ILE 102 HB ILE 102 6.516 16.247 -12.056 745 HG12 ILE 102 HG12 ILE 102 4.266 16.754 -12.894 746 HG13 ILE 102 HG13 ILE 102 5.480 17.717 -13.730 747 HG21 ILE 102 HG21 ILE 102 8.272 15.474 -13.381 748 HG22 ILE 102 HG22 ILE 102 7.210 15.111 -14.741 749 HG23 ILE 102 HG23 ILE 102 7.577 16.786 -14.332 750 HD11 ILE 102 HD11 ILE 102 3.511 16.011 -14.827 751 HD12 ILE 102 HD12 ILE 102 4.717 16.987 -15.666 752 HD13 ILE 102 HD13 ILE 102 5.093 15.328 -15.201 753 H LEU 103 H LEU 103 7.259 12.948 -14.075 754 HA LEU 103 HA LEU 103 8.246 11.283 -12.035 755 HB2 LEU 103 HB2 LEU 103 9.720 11.956 -14.566 756 HB3 LEU 103 HB3 LEU 103 9.792 10.466 -13.628 757 HG LEU 103 HG LEU 103 7.160 10.540 -14.349 758 HD11 LEU 103 HD11 LEU 103 7.021 12.191 -15.893 759 HD12 LEU 103 HD12 LEU 103 7.592 10.904 -16.955 760 HD13 LEU 103 HD13 LEU 103 8.730 12.092 -16.319 761 HD21 LEU 103 HD21 LEU 103 7.698 8.748 -15.826 762 HD22 LEU 103 HD22 LEU 103 8.816 8.666 -14.464 763 HD23 LEU 103 HD23 LEU 103 9.357 9.320 -16.011 764 HA PRO 104 HA PRO 104 11.317 13.693 -10.024 765 HB2 PRO 104 HB2 PRO 104 13.116 11.770 -9.361 766 HB3 PRO 104 HB3 PRO 104 11.551 11.940 -8.557 767 HG2 PRO 104 HG2 PRO 104 12.367 10.055 -10.735 768 HG3 PRO 104 HG3 PRO 104 11.395 9.737 -9.286 769 HD2 PRO 104 HD2 PRO 104 10.288 10.111 -11.729 770 HD3 PRO 104 HD3 PRO 104 9.478 10.603 -10.228 771 H THR 105 H THR 105 12.663 11.292 -12.289 772 HA THR 105 HA THR 105 14.290 13.366 -13.515 773 HB THR 105 HB THR 105 16.356 11.970 -13.389 774 HG1 THR 105 HG1 THR 105 14.865 10.087 -12.619 775 HG21 THR 105 HG21 THR 105 15.194 12.865 -10.748 776 HG22 THR 105 HG22 THR 105 16.087 13.867 -11.892 777 HG23 THR 105 HG23 THR 105 16.901 12.547 -11.053 778 H GLU 106 H GLU 106 15.781 12.091 -15.251 779 HA GLU 106 HA GLU 106 14.091 11.238 -17.259 780 HB2 GLU 106 HB2 GLU 106 16.036 10.545 -18.464 781 HB3 GLU 106 HB3 GLU 106 16.477 11.962 -17.522 782 HG2 GLU 106 HG2 GLU 106 17.397 10.380 -15.791 783 HG3 GLU 106 HG3 GLU 106 17.173 9.093 -16.974 784 H THR 107 H THR 107 13.237 9.335 -17.907 785 HA THR 107 HA THR 107 12.731 7.291 -16.126 786 HB THR 107 HB THR 107 12.342 5.884 -18.288 787 HG1 THR 107 HG1 THR 107 12.189 7.191 -20.153 788 HG21 THR 107 HG21 THR 107 10.870 8.352 -17.434 789 HG22 THR 107 HG22 THR 107 10.430 6.658 -17.213 790 HG23 THR 107 HG23 THR 107 10.302 7.403 -18.807 791 H ARG 108 H ARG 108 13.595 5.281 -15.708 792 HA ARG 108 HA ARG 108 16.124 4.582 -17.018 793 HB2 ARG 108 HB2 ARG 108 16.951 3.875 -14.695 794 HB3 ARG 108 HB3 ARG 108 16.953 5.593 -15.071 795 HG2 ARG 108 HG2 ARG 108 15.210 6.048 -13.640 796 HG3 ARG 108 HG3 ARG 108 14.596 4.395 -13.695 797 HD2 ARG 108 HD2 ARG 108 15.725 3.902 -11.849 798 HD3 ARG 108 HD3 ARG 108 17.237 4.330 -12.649 799 HE ARG 108 HE ARG 108 15.774 5.909 -10.744 800 HH11 ARG 108 HH11 ARG 108 18.066 5.979 -13.363 801 HH12 ARG 108 HH12 ARG 108 18.776 7.482 -12.874 802 HH21 ARG 108 HH21 ARG 108 16.701 7.887 -10.089 803 HH22 ARG 108 HH22 ARG 108 18.000 8.566 -11.011 804 H ASN 109 H ASN 109 13.351 3.575 -17.167 805 HA ASN 109 HA ASN 109 13.982 0.766 -16.773 806 HB2 ASN 109 HB2 ASN 109 11.635 0.458 -15.735 807 HB3 ASN 109 HB3 ASN 109 12.928 1.054 -14.699 808 HD21 ASN 109 HD21 ASN 109 10.092 1.960 -16.539 809 HD22 ASN 109 HD22 ASN 109 9.773 3.427 -15.685 810 H ILE 110 H ILE 110 13.275 -0.411 -18.438 811 HA ILE 110 HA ILE 110 11.157 0.729 -20.142 812 HB ILE 110 HB ILE 110 13.309 0.869 -21.280 813 HG12 ILE 110 HG12 ILE 110 12.720 -0.383 -23.321 814 HG13 ILE 110 HG13 ILE 110 11.550 -1.324 -22.403 815 HG21 ILE 110 HG21 ILE 110 13.471 -2.132 -21.120 816 HG22 ILE 110 HG22 ILE 110 14.684 -1.010 -21.736 817 HG23 ILE 110 HG23 ILE 110 14.321 -1.056 -20.011 818 HD11 ILE 110 HD11 ILE 110 10.185 0.592 -22.047 819 HD12 ILE 110 HD12 ILE 110 11.416 1.661 -22.719 820 HD13 ILE 110 HD13 ILE 110 10.578 0.515 -23.764 821 H SER 111 H SER 111 12.608 -2.163 -18.781 822 HA SER 111 HA SER 111 11.129 -4.148 -20.002 823 HB2 SER 111 HB2 SER 111 12.479 -3.865 -17.371 824 HB3 SER 111 HB3 SER 111 11.319 -5.184 -17.529 825 HG SER 111 HG SER 111 13.470 -4.701 -19.317 826 H PHE 112 H PHE 112 9.103 -4.941 -19.833 827 HA PHE 112 HA PHE 112 7.276 -3.548 -17.989 828 HB2 PHE 112 HB2 PHE 112 6.495 -4.892 -20.577 829 HB3 PHE 112 HB3 PHE 112 5.520 -3.807 -19.592 830 HD1 PHE 112 HD2 PHE 112 6.308 -1.392 -19.360 831 HD2 PHE 112 HD1 PHE 112 7.791 -4.067 -22.320 832 HE1 PHE 112 HE2 PHE 112 7.087 0.523 -20.695 833 HE2 PHE 112 HE1 PHE 112 8.573 -2.156 -23.659 834 HZ PHE 112 HZ PHE 112 8.222 0.142 -22.847 835 H VAL 113 H VAL 113 8.632 -5.647 -16.943 836 HA VAL 113 HA VAL 113 6.590 -7.771 -16.841 837 HB VAL 113 HB VAL 113 9.549 -8.197 -16.419 838 HG11 VAL 113 HG11 VAL 113 7.140 -9.968 -16.429 839 HG12 VAL 113 HG12 VAL 113 8.718 -10.617 -16.878 840 HG13 VAL 113 HG13 VAL 113 8.478 -9.903 -15.282 841 HG21 VAL 113 HG21 VAL 113 9.322 -9.454 -18.639 842 HG22 VAL 113 HG22 VAL 113 7.847 -8.516 -18.872 843 HG23 VAL 113 HG23 VAL 113 9.397 -7.693 -18.701 844 H LYS 114 H LYS 114 6.216 -8.742 -14.820 845 HA LYS 114 HA LYS 114 6.934 -7.031 -12.555 846 HB2 LYS 114 HB2 LYS 114 5.091 -8.116 -11.378 847 HB3 LYS 114 HB3 LYS 114 4.547 -7.477 -12.924 848 HG2 LYS 114 HG2 LYS 114 4.774 -9.761 -13.879 849 HG3 LYS 114 HG3 LYS 114 5.143 -10.350 -12.256 850 HD2 LYS 114 HD2 LYS 114 2.869 -10.744 -12.408 851 HD3 LYS 114 HD3 LYS 114 2.915 -9.169 -11.612 852 HE2 LYS 114 HE2 LYS 114 2.108 -8.072 -13.437 853 HE3 LYS 114 HE3 LYS 114 2.845 -9.197 -14.576 854 HZ1 LYS 114 HZ1 LYS 114 0.452 -9.409 -14.593 855 HZ2 LYS 114 HZ2 LYS 114 0.428 -9.718 -12.930 856 HZ3 LYS 114 HZ3 LYS 114 1.147 -10.827 -13.985 857 H ASN 115 H ASN 115 8.385 -7.647 -11.096 858 HA ASN 115 HA ASN 115 9.554 -10.291 -11.273 859 HB2 ASN 115 HB2 ASN 115 11.001 -8.312 -11.028 860 HB3 ASN 115 HB3 ASN 115 10.253 -7.961 -9.473 861 HD21 ASN 115 HD21 ASN 115 11.468 -10.927 -10.994 862 HD22 ASN 115 HD22 ASN 115 12.528 -11.359 -9.700 863 H SER 116 H SER 116 9.897 -11.633 -9.376 864 HA SER 116 HA SER 116 7.506 -12.109 -7.956 865 HB2 SER 116 HB2 SER 116 9.346 -13.787 -8.535 866 HB3 SER 116 HB3 SER 116 10.221 -13.146 -7.145 867 HG SER 116 HG SER 116 9.086 -14.654 -6.171 Start of MODEL 5 1 H1 MET 1 H MET 1 -1.622 -1.228 -3.285 2 HA MET 1 HA MET 1 0.959 -0.906 -3.852 3 HB2 MET 1 HB2 MET 1 1.561 -2.737 -5.460 4 HB3 MET 1 HB3 MET 1 1.459 -3.243 -3.779 5 HG2 MET 1 HG2 MET 1 -0.991 -3.530 -5.401 6 HG3 MET 1 HG3 MET 1 0.354 -4.601 -5.789 7 HE1 MET 1 HE1 MET 1 -0.523 -6.530 -5.492 8 HE2 MET 1 HE2 MET 1 0.291 -7.232 -4.094 9 HE3 MET 1 HE3 MET 1 -1.471 -7.176 -4.153 10 HA PRO 2 HA PRO 2 -2.180 0.581 -6.959 11 HB2 PRO 2 HB2 PRO 2 -1.699 3.221 -6.547 12 HB3 PRO 2 HB3 PRO 2 -2.866 2.297 -5.593 13 HG2 PRO 2 HG2 PRO 2 -0.051 3.062 -4.920 14 HG3 PRO 2 HG3 PRO 2 -1.496 3.098 -3.894 15 HD2 PRO 2 HD2 PRO 2 0.333 1.106 -3.764 16 HD3 PRO 2 HD3 PRO 2 -1.394 0.838 -3.453 17 H LEU 3 H LEU 3 -1.573 2.707 -8.469 18 HA LEU 3 HA LEU 3 1.190 2.313 -9.391 19 HB2 LEU 3 HB2 LEU 3 0.057 1.030 -10.947 20 HB3 LEU 3 HB3 LEU 3 -1.353 2.087 -10.940 21 HG LEU 3 HG LEU 3 0.036 3.789 -12.155 22 HD11 LEU 3 HD11 LEU 3 1.907 1.732 -13.082 23 HD12 LEU 3 HD12 LEU 3 2.156 2.263 -11.419 24 HD13 LEU 3 HD13 LEU 3 2.173 3.440 -12.733 25 HD21 LEU 3 HD21 LEU 3 0.192 1.848 -14.164 26 HD22 LEU 3 HD22 LEU 3 -1.139 2.960 -13.846 27 HD23 LEU 3 HD23 LEU 3 -1.140 1.351 -13.121 28 H ILE 4 H ILE 4 2.149 4.089 -10.427 29 HA ILE 4 HA ILE 4 0.703 6.632 -10.067 30 HB ILE 4 HB ILE 4 3.680 6.159 -9.885 31 HG12 ILE 4 HG12 ILE 4 2.580 5.282 -7.925 32 HG13 ILE 4 HG13 ILE 4 3.346 6.808 -7.494 33 HG21 ILE 4 HG21 ILE 4 2.026 8.658 -9.587 34 HG22 ILE 4 HG22 ILE 4 3.712 8.526 -9.089 35 HG23 ILE 4 HG23 ILE 4 3.277 8.334 -10.787 36 HD11 ILE 4 HD11 ILE 4 1.296 6.979 -6.472 37 HD12 ILE 4 HD12 ILE 4 1.010 7.816 -7.998 38 HD13 ILE 4 HD13 ILE 4 0.453 6.157 -7.785 39 H THR 5 H THR 5 0.497 7.943 -11.777 40 HA THR 5 HA THR 5 1.682 7.075 -14.308 41 HB THR 5 HB THR 5 -0.470 9.148 -13.843 42 HG1 THR 5 HG1 THR 5 -1.760 7.323 -14.788 43 HG21 THR 5 HG21 THR 5 -0.587 7.968 -16.415 44 HG22 THR 5 HG22 THR 5 1.082 8.466 -16.139 45 HG23 THR 5 HG23 THR 5 -0.224 9.642 -15.999 46 H PHE 6 H PHE 6 3.660 7.918 -14.595 47 HA PHE 6 HA PHE 6 4.187 10.681 -13.812 48 HB2 PHE 6 HB2 PHE 6 6.128 8.676 -14.970 49 HB3 PHE 6 HB3 PHE 6 6.516 10.179 -14.139 50 HD1 PHE 6 HD1 PHE 6 6.371 10.343 -11.731 51 HD2 PHE 6 HD2 PHE 6 5.436 6.713 -13.746 52 HE1 PHE 6 HE1 PHE 6 6.492 9.130 -9.594 53 HE2 PHE 6 HE2 PHE 6 5.555 5.494 -11.612 54 HZ PHE 6 HZ PHE 6 6.085 6.702 -9.533 55 H ILE 7 H ILE 7 3.750 12.216 -15.241 56 HA ILE 7 HA ILE 7 3.737 11.613 -18.090 57 HB ILE 7 HB ILE 7 3.071 14.256 -16.804 58 HG12 ILE 7 HG12 ILE 7 0.652 13.181 -17.346 59 HG13 ILE 7 HG13 ILE 7 1.538 11.723 -16.913 60 HG21 ILE 7 HG21 ILE 7 3.445 14.330 -19.201 61 HG22 ILE 7 HG22 ILE 7 2.296 13.014 -19.440 62 HG23 ILE 7 HG23 ILE 7 1.737 14.576 -18.842 63 HD11 ILE 7 HD11 ILE 7 2.108 13.747 -14.996 64 HD12 ILE 7 HD12 ILE 7 0.361 13.623 -15.206 65 HD13 ILE 7 HD13 ILE 7 1.301 12.195 -14.771 66 H SER 8 H SER 8 5.072 12.534 -19.596 67 HA SER 8 HA SER 8 7.477 13.832 -18.528 68 HB2 SER 8 HB2 SER 8 8.116 13.293 -21.105 69 HB3 SER 8 HB3 SER 8 8.358 12.151 -19.783 70 HG SER 8 HG SER 8 6.081 12.280 -21.475 71 HA PRO 9 HA PRO 9 6.684 17.709 -20.420 72 HB2 PRO 9 HB2 PRO 9 9.135 18.428 -21.340 73 HB3 PRO 9 HB3 PRO 9 8.721 18.410 -19.622 74 HG2 PRO 9 HG2 PRO 9 10.203 16.369 -21.234 75 HG3 PRO 9 HG3 PRO 9 10.560 16.986 -19.611 76 HD2 PRO 9 HD2 PRO 9 9.335 14.607 -20.029 77 HD3 PRO 9 HD3 PRO 9 8.995 15.620 -18.611 78 H ASP 10 H ASP 10 7.823 15.091 -22.303 79 HA ASP 10 HA ASP 10 7.614 16.522 -24.828 80 HB2 ASP 10 HB2 ASP 10 8.531 14.611 -25.853 81 HB3 ASP 10 HB3 ASP 10 9.359 14.714 -24.302 82 H GLY 11 H GLY 11 5.375 15.570 -22.798 83 HA2 GLY 11 HA2 GLY 11 3.078 15.432 -23.251 84 HA3 GLY 11 HA3 GLY 11 3.453 15.035 -24.921 85 H SER 12 H SER 12 5.449 13.024 -23.579 86 HA SER 12 HA SER 12 3.758 10.759 -23.889 87 HB2 SER 12 HB2 SER 12 6.615 11.223 -23.196 88 HB3 SER 12 HB3 SER 12 5.917 9.670 -22.738 89 HG SER 12 HG SER 12 6.063 10.809 -25.330 90 H ARG 13 H ARG 13 4.099 8.962 -22.045 91 HA ARG 13 HA ARG 13 3.906 9.943 -19.360 92 HB2 ARG 13 HB2 ARG 13 1.523 8.828 -19.190 93 HB3 ARG 13 HB3 ARG 13 1.702 10.512 -19.665 94 HG2 ARG 13 HG2 ARG 13 1.210 10.075 -21.884 95 HG3 ARG 13 HG3 ARG 13 1.606 8.361 -21.737 96 HD2 ARG 13 HD2 ARG 13 -0.637 9.450 -20.112 97 HD3 ARG 13 HD3 ARG 13 -0.895 9.195 -21.837 98 HE ARG 13 HE ARG 13 -0.733 7.192 -19.816 99 HH11 ARG 13 HH11 ARG 13 -0.048 7.849 -23.166 100 HH12 ARG 13 HH12 ARG 13 -0.165 6.190 -23.650 101 HH21 ARG 13 HH21 ARG 13 -0.890 5.004 -20.442 102 HH22 ARG 13 HH22 ARG 13 -0.645 4.572 -22.100 103 H LYS 14 H LYS 14 4.694 8.418 -18.070 104 HA LYS 14 HA LYS 14 4.742 5.648 -19.054 105 HB2 LYS 14 HB2 LYS 14 6.412 6.597 -16.759 106 HB3 LYS 14 HB3 LYS 14 6.739 5.317 -17.919 107 HG2 LYS 14 HG2 LYS 14 6.908 8.284 -18.385 108 HG3 LYS 14 HG3 LYS 14 8.238 7.124 -18.341 109 HD2 LYS 14 HD2 LYS 14 6.073 7.393 -20.414 110 HD3 LYS 14 HD3 LYS 14 7.816 7.572 -20.629 111 HE2 LYS 14 HE2 LYS 14 6.295 5.039 -20.034 112 HE3 LYS 14 HE3 LYS 14 7.149 5.448 -21.522 113 HZ1 LYS 14 HZ1 LYS 14 9.228 5.421 -20.297 114 HZ2 LYS 14 HZ2 LYS 14 8.434 3.936 -20.143 115 HZ3 LYS 14 HZ3 LYS 14 8.413 5.043 -18.864 116 H THR 15 H THR 15 4.334 3.917 -17.590 117 HA THR 15 HA THR 15 3.053 4.588 -15.054 118 HB THR 15 HB THR 15 1.443 2.572 -16.288 119 HG1 THR 15 HG1 THR 15 1.593 5.017 -17.752 120 HG21 THR 15 HG21 THR 15 0.949 4.263 -14.421 121 HG22 THR 15 HG22 THR 15 -0.338 3.926 -15.579 122 HG23 THR 15 HG23 THR 15 0.613 5.404 -15.722 123 H TYR 16 H TYR 16 4.096 3.379 -13.621 124 HA TYR 16 HA TYR 16 4.323 0.513 -14.059 125 HB2 TYR 16 HB2 TYR 16 6.751 0.607 -13.274 126 HB3 TYR 16 HB3 TYR 16 6.435 1.119 -14.928 127 HD1 TYR 16 HD2 TYR 16 7.046 2.389 -11.494 128 HD2 TYR 16 HD1 TYR 16 7.040 3.273 -15.656 129 HE1 TYR 16 HE2 TYR 16 8.160 4.533 -11.034 130 HE2 TYR 16 HE1 TYR 16 8.154 5.419 -15.208 131 HH TYR 16 HH TYR 16 9.799 6.182 -12.853 132 H GLU 17 H GLU 17 4.195 -0.657 -12.203 133 HA GLU 17 HA GLU 17 3.072 0.411 -9.926 134 HB2 GLU 17 HB2 GLU 17 4.270 -2.148 -10.681 135 HB3 GLU 17 HB3 GLU 17 4.407 -1.802 -8.962 136 HG2 GLU 17 HG2 GLU 17 1.963 -1.401 -8.899 137 HG3 GLU 17 HG3 GLU 17 1.877 -1.902 -10.587 138 H ALA 18 H ALA 18 3.852 1.826 -8.523 139 HA ALA 18 HA ALA 18 6.745 1.845 -7.983 140 HB1 ALA 18 HB1 ALA 18 6.414 3.986 -8.626 141 HB2 ALA 18 HB2 ALA 18 4.704 3.968 -8.191 142 HB3 ALA 18 HB3 ALA 18 5.930 4.179 -6.941 143 H TYR 19 H TYR 19 7.311 2.613 -5.727 144 HA TYR 19 HA TYR 19 5.541 1.278 -3.787 145 HB2 TYR 19 HB2 TYR 19 8.387 1.067 -4.289 146 HB3 TYR 19 HB3 TYR 19 8.071 1.526 -2.619 147 HD1 TYR 19 HD1 TYR 19 6.759 -0.896 -5.153 148 HD2 TYR 19 HD2 TYR 19 7.839 -0.188 -1.099 149 HE1 TYR 19 HE1 TYR 19 6.246 -3.240 -4.613 150 HE2 TYR 19 HE2 TYR 19 7.331 -2.530 -0.548 151 HH TYR 19 HH TYR 19 6.049 -4.380 -1.381 152 H ASP 20 H ASP 20 6.361 2.113 -1.435 153 HA ASP 20 HA ASP 20 5.665 4.938 -1.443 154 HB2 ASP 20 HB2 ASP 20 5.498 4.614 1.041 155 HB3 ASP 20 HB3 ASP 20 4.427 3.578 0.101 156 H GLY 21 H GLY 21 7.214 6.418 -1.518 157 HA2 GLY 21 HA2 GLY 21 9.152 7.556 -1.033 158 HA3 GLY 21 HA3 GLY 21 9.361 6.472 0.334 159 H GLU 22 H GLU 22 9.009 4.805 -2.583 160 HA GLU 22 HA GLU 22 11.838 4.112 -2.549 161 HB2 GLU 22 HB2 GLU 22 10.215 2.290 -2.610 162 HB3 GLU 22 HB3 GLU 22 9.521 2.933 -4.091 163 HG2 GLU 22 HG2 GLU 22 11.639 2.532 -5.251 164 HG3 GLU 22 HG3 GLU 22 12.314 1.861 -3.767 165 H THR 23 H THR 23 13.212 5.186 -3.787 166 HA THR 23 HA THR 23 12.399 6.929 -5.875 167 HB THR 23 HB THR 23 14.395 7.478 -4.669 168 HG1 THR 23 HG1 THR 23 15.373 8.156 -6.429 169 HG21 THR 23 HG21 THR 23 15.468 5.657 -3.848 170 HG22 THR 23 HG22 THR 23 16.429 5.835 -5.316 171 HG23 THR 23 HG23 THR 23 15.105 4.672 -5.264 172 H LEU 24 H LEU 24 13.183 6.818 -8.115 173 HA LEU 24 HA LEU 24 12.329 4.546 -9.449 174 HB2 LEU 24 HB2 LEU 24 14.420 6.397 -10.551 175 HB3 LEU 24 HB3 LEU 24 13.175 5.509 -11.427 176 HG LEU 24 HG LEU 24 11.685 7.126 -9.798 177 HD11 LEU 24 HD11 LEU 24 12.671 9.078 -9.325 178 HD12 LEU 24 HD12 LEU 24 13.530 9.131 -10.864 179 HD13 LEU 24 HD13 LEU 24 14.181 8.188 -9.524 180 HD21 LEU 24 HD21 LEU 24 12.523 8.240 -12.413 181 HD22 LEU 24 HD22 LEU 24 10.908 7.975 -11.755 182 HD23 LEU 24 HD23 LEU 24 11.828 6.619 -12.410 183 H LEU 25 H LEU 25 15.598 5.460 -8.460 184 HA LEU 25 HA LEU 25 17.081 3.525 -9.747 185 HB2 LEU 25 HB2 LEU 25 17.788 5.458 -8.170 186 HB3 LEU 25 HB3 LEU 25 17.652 4.245 -6.898 187 HG LEU 25 HG LEU 25 19.265 2.882 -8.459 188 HD11 LEU 25 HD11 LEU 25 19.030 5.160 -9.980 189 HD12 LEU 25 HD12 LEU 25 20.308 3.953 -10.112 190 HD13 LEU 25 HD13 LEU 25 20.559 5.398 -9.133 191 HD21 LEU 25 HD21 LEU 25 20.457 5.203 -6.983 192 HD22 LEU 25 HD22 LEU 25 21.044 3.544 -7.106 193 HD23 LEU 25 HD23 LEU 25 19.620 3.906 -6.129 194 H SER 26 H SER 26 15.480 3.280 -6.581 195 HA SER 26 HA SER 26 16.266 0.669 -5.973 196 HB2 SER 26 HB2 SER 26 15.308 1.951 -4.222 197 HB3 SER 26 HB3 SER 26 13.856 2.293 -5.162 198 HG SER 26 HG SER 26 14.561 0.014 -3.729 199 H LEU 27 H LEU 27 13.688 1.882 -8.002 200 HA LEU 27 HA LEU 27 12.099 -0.381 -8.244 201 HB2 LEU 27 HB2 LEU 27 11.936 2.048 -9.258 202 HB3 LEU 27 HB3 LEU 27 12.663 1.265 -10.660 203 HG LEU 27 HG LEU 27 10.727 -0.390 -10.534 204 HD11 LEU 27 HD11 LEU 27 10.080 1.378 -8.317 205 HD12 LEU 27 HD12 LEU 27 9.458 -0.225 -8.709 206 HD13 LEU 27 HD13 LEU 27 8.755 1.203 -9.468 207 HD21 LEU 27 HD21 LEU 27 9.829 0.791 -12.198 208 HD22 LEU 27 HD22 LEU 27 11.044 2.018 -11.839 209 HD23 LEU 27 HD23 LEU 27 9.431 2.141 -11.136 210 H ALA 28 H ALA 28 15.250 0.272 -9.528 211 HA ALA 28 HA ALA 28 15.288 -1.601 -11.633 212 HB1 ALA 28 HB1 ALA 28 16.980 0.068 -11.560 213 HB2 ALA 28 HB2 ALA 28 17.503 -0.444 -9.955 214 HB3 ALA 28 HB3 ALA 28 17.778 -1.491 -11.347 215 H HIS 29 H HIS 29 16.242 -1.869 -8.223 216 HA HIS 29 HA HIS 29 17.069 -4.586 -8.417 217 HB2 HIS 29 HB2 HIS 29 17.659 -2.809 -6.617 218 HB3 HIS 29 HB3 HIS 29 16.150 -3.307 -5.857 219 HD1 HIS 29 HD1 HIS 29 19.431 -4.838 -6.999 220 HD2 HIS 29 HD2 HIS 29 16.373 -5.498 -4.265 221 HE1 HIS 29 HE1 HIS 29 20.190 -6.783 -5.598 222 H ARG 30 H ARG 30 14.064 -2.988 -7.487 223 HA ARG 30 HA ARG 30 12.736 -5.339 -6.606 224 HB2 ARG 30 HB2 ARG 30 11.535 -2.761 -7.632 225 HB3 ARG 30 HB3 ARG 30 10.703 -3.990 -6.689 226 HG2 ARG 30 HG2 ARG 30 13.157 -2.762 -5.550 227 HG3 ARG 30 HG3 ARG 30 11.667 -1.815 -5.572 228 HD2 ARG 30 HD2 ARG 30 11.445 -2.855 -3.549 229 HD3 ARG 30 HD3 ARG 30 10.645 -4.034 -4.587 230 HE ARG 30 HE ARG 30 13.395 -4.635 -4.387 231 HH11 ARG 30 HH11 ARG 30 10.449 -4.721 -2.534 232 HH12 ARG 30 HH12 ARG 30 10.958 -6.047 -1.542 233 HH21 ARG 30 HH21 ARG 30 14.077 -6.381 -3.087 234 HH22 ARG 30 HH22 ARG 30 13.023 -6.990 -1.857 235 H ASN 31 H ASN 31 13.092 -3.760 -9.714 236 HA ASN 31 HA ASN 31 11.123 -5.431 -11.004 237 HB2 ASN 31 HB2 ASN 31 11.757 -3.018 -11.647 238 HB3 ASN 31 HB3 ASN 31 13.170 -3.734 -12.417 239 HD21 ASN 31 HD21 ASN 31 12.939 -4.877 -14.293 240 HD22 ASN 31 HD22 ASN 31 11.461 -4.942 -15.186 241 H ASN 32 H ASN 32 14.264 -5.874 -9.996 242 HA ASN 32 HA ASN 32 15.814 -7.500 -10.352 243 HB2 ASN 32 HB2 ASN 32 13.771 -8.882 -12.094 244 HB3 ASN 32 HB3 ASN 32 15.099 -9.614 -11.198 245 HD21 ASN 32 HD21 ASN 32 11.910 -9.401 -11.232 246 HD22 ASN 32 HD22 ASN 32 11.554 -9.494 -9.544 247 H VAL 33 H VAL 33 15.684 -5.218 -12.104 248 HA VAL 33 HA VAL 33 16.494 -6.292 -14.704 249 HB VAL 33 HB VAL 33 14.899 -4.377 -14.614 250 HG11 VAL 33 HG11 VAL 33 15.292 -2.566 -13.389 251 HG12 VAL 33 HG12 VAL 33 16.738 -3.362 -12.762 252 HG13 VAL 33 HG13 VAL 33 16.850 -2.313 -14.176 253 HG21 VAL 33 HG21 VAL 33 15.786 -3.309 -16.489 254 HG22 VAL 33 HG22 VAL 33 17.446 -3.477 -15.918 255 HG23 VAL 33 HG23 VAL 33 16.568 -4.890 -16.504 256 H ASP 34 H ASP 34 18.488 -5.726 -15.672 257 HA ASP 34 HA ASP 34 20.675 -5.624 -13.810 258 HB2 ASP 34 HB2 ASP 34 20.724 -5.542 -16.835 259 HB3 ASP 34 HB3 ASP 34 22.099 -5.860 -15.780 260 H LEU 35 H LEU 35 20.722 -3.640 -12.819 261 HA LEU 35 HA LEU 35 21.664 -1.434 -14.477 262 HB2 LEU 35 HB2 LEU 35 19.142 -1.295 -14.128 263 HB3 LEU 35 HB3 LEU 35 19.508 -0.971 -12.435 264 HG LEU 35 HG LEU 35 20.846 1.015 -13.219 265 HD11 LEU 35 HD11 LEU 35 20.181 1.872 -15.484 266 HD12 LEU 35 HD12 LEU 35 19.540 0.265 -15.824 267 HD13 LEU 35 HD13 LEU 35 21.259 0.476 -15.492 268 HD21 LEU 35 HD21 LEU 35 18.579 1.190 -12.279 269 HD22 LEU 35 HD22 LEU 35 17.907 1.013 -13.900 270 HD23 LEU 35 HD23 LEU 35 18.893 2.421 -13.502 271 H GLU 36 H GLU 36 22.673 0.287 -13.219 272 HA GLU 36 HA GLU 36 24.109 -0.810 -10.956 273 HB2 GLU 36 HB2 GLU 36 24.360 1.790 -12.469 274 HB3 GLU 36 HB3 GLU 36 25.361 1.377 -11.084 275 HG2 GLU 36 HG2 GLU 36 26.061 -0.684 -12.351 276 HG3 GLU 36 HG3 GLU 36 25.258 0.012 -13.757 277 H GLY 37 H GLY 37 23.843 -0.281 -8.863 278 HA2 GLY 37 HA2 GLY 37 23.151 1.895 -7.543 279 HA3 GLY 37 HA3 GLY 37 21.584 1.455 -8.206 280 H ALA 38 H ALA 38 21.501 1.568 -5.631 281 HA ALA 38 HA ALA 38 21.271 -1.204 -4.802 282 HB1 ALA 38 HB1 ALA 38 22.734 -1.194 -3.043 283 HB2 ALA 38 HB2 ALA 38 23.604 -0.158 -4.176 284 HB3 ALA 38 HB3 ALA 38 22.676 0.560 -2.860 285 H CYS 39 H CYS 39 20.191 -1.361 -2.625 286 HA CYS 39 HA CYS 39 18.246 0.831 -2.347 287 HB2 CYS 39 HB2 CYS 39 17.390 -1.434 -3.074 288 HB3 CYS 39 HB3 CYS 39 17.860 -2.039 -1.490 289 HG CYS 39 HG CYS 39 16.155 0.385 -0.563 290 H GLU 40 H GLU 40 19.182 2.089 -0.798 291 HA GLU 40 HA GLU 40 20.162 0.845 1.653 292 HB2 GLU 40 HB2 GLU 40 21.027 3.037 2.221 293 HB3 GLU 40 HB3 GLU 40 21.499 2.624 0.579 294 HG2 GLU 40 HG2 GLU 40 19.398 3.961 -0.108 295 HG3 GLU 40 HG3 GLU 40 19.503 4.637 1.516 296 H GLY 41 H GLY 41 17.542 2.864 0.489 297 HA2 GLY 41 HA2 GLY 41 16.443 2.979 3.224 298 HA3 GLY 41 HA3 GLY 41 16.021 4.082 1.922 299 H SER 42 H SER 42 15.752 0.715 2.980 300 HA SER 42 HA SER 42 13.597 0.220 1.097 301 HB2 SER 42 HB2 SER 42 15.040 -1.637 1.355 302 HB3 SER 42 HB3 SER 42 15.043 -1.495 3.113 303 HG SER 42 HG SER 42 12.770 -2.164 1.549 304 H LEU 43 H LEU 43 14.029 1.040 4.433 305 HA LEU 43 HA LEU 43 11.553 0.163 5.450 306 HB2 LEU 43 HB2 LEU 43 13.217 2.512 6.343 307 HB3 LEU 43 HB3 LEU 43 11.954 1.716 7.280 308 HG LEU 43 HG LEU 43 14.345 0.165 6.365 309 HD11 LEU 43 HD11 LEU 43 15.464 0.738 8.475 310 HD12 LEU 43 HD12 LEU 43 14.211 1.935 8.801 311 HD13 LEU 43 HD13 LEU 43 15.282 2.136 7.415 312 HD21 LEU 43 HD21 LEU 43 13.393 -1.427 7.578 313 HD22 LEU 43 HD22 LEU 43 12.034 -0.351 7.905 314 HD23 LEU 43 HD23 LEU 43 13.415 -0.388 9.003 315 H ALA 44 H ALA 44 12.489 3.543 4.800 316 HA ALA 44 HA ALA 44 11.309 5.327 4.021 317 HB1 ALA 44 HB1 ALA 44 9.934 5.017 2.211 318 HB2 ALA 44 HB2 ALA 44 10.820 3.491 2.215 319 HB3 ALA 44 HB3 ALA 44 9.191 3.567 2.885 320 H CYS 45 H CYS 45 10.801 4.364 6.656 321 HA CYS 45 HA CYS 45 8.052 4.241 7.265 322 HB2 CYS 45 HB2 CYS 45 10.479 4.947 8.907 323 HB3 CYS 45 HB3 CYS 45 8.860 4.930 9.595 324 HG CYS 45 HG CYS 45 8.848 2.113 8.270 325 H SER 46 H SER 46 10.358 6.947 7.445 326 HA SER 46 HA SER 46 8.653 8.912 8.375 327 HB2 SER 46 HB2 SER 46 10.910 9.214 6.379 328 HB3 SER 46 HB3 SER 46 10.176 10.533 7.291 329 HG SER 46 HG SER 46 12.203 9.296 8.081 330 H THR 47 H THR 47 6.817 9.693 7.607 331 HA THR 47 HA THR 47 6.384 9.673 4.690 332 HB THR 47 HB THR 47 3.892 9.700 5.370 333 HG1 THR 47 HG1 THR 47 3.619 9.697 7.467 334 HG21 THR 47 HG21 THR 47 5.791 7.542 5.065 335 HG22 THR 47 HG22 THR 47 4.138 7.675 4.464 336 HG23 THR 47 HG23 THR 47 4.439 7.060 6.089 337 H CYS 48 H CYS 48 7.520 11.766 6.535 338 HA CYS 48 HA CYS 48 5.587 13.852 6.733 339 HB2 CYS 48 HB2 CYS 48 8.596 13.811 6.948 340 HB3 CYS 48 HB3 CYS 48 7.657 15.288 7.125 341 HG CYS 48 HG CYS 48 6.174 14.257 9.323 342 H HIS 49 H HIS 49 8.627 13.981 4.892 343 HA HIS 49 HA HIS 49 7.736 15.961 3.118 344 HB2 HIS 49 HB2 HIS 49 9.713 15.221 1.715 345 HB3 HIS 49 HB3 HIS 49 10.083 15.671 3.377 346 HD1 HIS 49 HD1 HIS 49 8.973 12.358 1.853 347 HD2 HIS 49 HD2 HIS 49 11.990 13.960 4.219 348 HE1 HIS 49 HE1 HIS 49 10.431 10.411 2.492 349 H VAL 50 H VAL 50 7.470 15.749 0.764 350 HA VAL 50 HA VAL 50 6.583 13.166 -0.224 351 HB VAL 50 HB VAL 50 4.402 14.069 -1.009 352 HG11 VAL 50 HG11 VAL 50 4.661 12.685 1.055 353 HG12 VAL 50 HG12 VAL 50 4.674 14.182 1.990 354 HG13 VAL 50 HG13 VAL 50 3.246 13.736 1.056 355 HG21 VAL 50 HG21 VAL 50 5.201 16.487 -0.714 356 HG22 VAL 50 HG22 VAL 50 3.534 16.114 -0.277 357 HG23 VAL 50 HG23 VAL 50 4.757 16.287 0.982 358 H ILE 51 H ILE 51 5.845 13.382 -2.568 359 HA ILE 51 HA ILE 51 7.223 15.588 -3.933 360 HB ILE 51 HB ILE 51 8.841 13.898 -4.126 361 HG12 ILE 51 HG12 ILE 51 7.144 13.592 -6.610 362 HG13 ILE 51 HG13 ILE 51 8.166 14.986 -6.280 363 HG21 ILE 51 HG21 ILE 51 6.621 11.970 -4.797 364 HG22 ILE 51 HG22 ILE 51 8.341 11.585 -4.762 365 HG23 ILE 51 HG23 ILE 51 7.510 12.046 -3.276 366 HD11 ILE 51 HD11 ILE 51 9.790 13.911 -7.329 367 HD12 ILE 51 HD12 ILE 51 9.839 12.793 -5.965 368 HD13 ILE 51 HD13 ILE 51 8.854 12.417 -7.378 369 H ILE 52 H ILE 52 5.697 16.607 -5.047 370 HA ILE 52 HA ILE 52 3.797 14.991 -6.611 371 HB ILE 52 HB ILE 52 2.262 17.103 -6.250 372 HG12 ILE 52 HG12 ILE 52 2.474 18.006 -3.970 373 HG13 ILE 52 HG13 ILE 52 3.938 17.059 -3.730 374 HG21 ILE 52 HG21 ILE 52 1.650 14.831 -5.666 375 HG22 ILE 52 HG22 ILE 52 2.617 14.926 -4.195 376 HG23 ILE 52 HG23 ILE 52 1.183 15.936 -4.374 377 HD11 ILE 52 HD11 ILE 52 5.211 18.481 -4.923 378 HD12 ILE 52 HD12 ILE 52 3.917 18.862 -6.060 379 HD13 ILE 52 HD13 ILE 52 3.946 19.623 -4.469 380 H ASP 53 H ASP 53 2.874 16.145 -8.471 381 HA ASP 53 HA ASP 53 4.745 17.149 -10.200 382 HB2 ASP 53 HB2 ASP 53 2.642 18.313 -11.284 383 HB3 ASP 53 HB3 ASP 53 2.788 16.557 -11.267 384 HA PRO 54 HA PRO 54 5.614 21.332 -9.211 385 HB2 PRO 54 HB2 PRO 54 5.710 22.511 -11.654 386 HB3 PRO 54 HB3 PRO 54 6.956 21.398 -11.075 387 HG2 PRO 54 HG2 PRO 54 4.651 20.873 -12.913 388 HG3 PRO 54 HG3 PRO 54 6.332 20.323 -13.041 389 HD2 PRO 54 HD2 PRO 54 4.345 18.733 -12.115 390 HD3 PRO 54 HD3 PRO 54 6.017 18.608 -11.533 391 H SER 55 H SER 55 2.672 20.496 -10.688 392 HA SER 55 HA SER 55 1.586 23.157 -10.856 393 HB2 SER 55 HB2 SER 55 0.616 21.695 -12.407 394 HB3 SER 55 HB3 SER 55 0.469 20.391 -11.229 395 HG SER 55 HG SER 55 -1.481 21.745 -11.873 396 H TRP 56 H TRP 56 1.861 20.709 -8.451 397 HA TRP 56 HA TRP 56 -0.090 22.095 -6.742 398 HB2 TRP 56 HB2 TRP 56 0.870 19.277 -6.897 399 HB3 TRP 56 HB3 TRP 56 0.407 19.902 -5.316 400 HD1 TRP 56 HD1 TRP 56 -1.297 20.338 -8.786 401 HE1 TRP 56 HE1 TRP 56 -3.767 19.657 -8.538 402 HE3 TRP 56 HE3 TRP 56 -1.255 18.905 -3.878 403 HZ2 TRP 56 HZ2 TRP 56 -5.472 18.648 -6.527 404 HZ3 TRP 56 HZ3 TRP 56 -3.348 18.095 -2.868 405 HH2 TRP 56 HH2 TRP 56 -5.411 17.970 -4.167 406 H TYR 57 H TYR 57 3.249 21.429 -7.180 407 HA TYR 57 HA TYR 57 4.261 21.586 -4.605 408 HB2 TYR 57 HB2 TYR 57 5.726 21.027 -6.414 409 HB3 TYR 57 HB3 TYR 57 5.411 22.558 -7.223 410 HD1 TYR 57 HD2 TYR 57 6.696 21.314 -3.938 411 HD2 TYR 57 HD1 TYR 57 7.020 24.199 -7.048 412 HE1 TYR 57 HE2 TYR 57 8.644 22.304 -2.809 413 HE2 TYR 57 HE1 TYR 57 8.970 25.196 -5.929 414 HH TYR 57 HH TYR 57 10.541 24.850 -4.312 415 H ASP 58 H ASP 58 3.426 24.201 -6.842 416 HA ASP 58 HA ASP 58 4.324 26.323 -5.211 417 HB2 ASP 58 HB2 ASP 58 3.979 26.842 -7.485 418 HB3 ASP 58 HB3 ASP 58 2.357 26.155 -7.483 419 H ILE 59 H ILE 59 1.452 24.390 -5.181 420 HA ILE 59 HA ILE 59 -0.088 26.223 -3.579 421 HB ILE 59 HB ILE 59 -0.570 23.307 -4.198 422 HG12 ILE 59 HG12 ILE 59 -1.978 25.703 -5.370 423 HG13 ILE 59 HG13 ILE 59 -0.550 24.996 -6.118 424 HG21 ILE 59 HG21 ILE 59 -2.931 23.892 -3.534 425 HG22 ILE 59 HG22 ILE 59 -1.761 23.821 -2.218 426 HG23 ILE 59 HG23 ILE 59 -2.280 25.382 -2.851 427 HD11 ILE 59 HD11 ILE 59 -1.835 23.531 -7.151 428 HD12 ILE 59 HD12 ILE 59 -2.371 22.899 -5.594 429 HD13 ILE 59 HD13 ILE 59 -3.260 24.212 -6.366 430 H VAL 60 H VAL 60 1.469 23.070 -3.003 431 HA VAL 60 HA VAL 60 0.924 22.991 -0.234 432 HB VAL 60 HB VAL 60 2.701 21.262 -0.129 433 HG11 VAL 60 HG11 VAL 60 0.250 21.180 -1.495 434 HG12 VAL 60 HG12 VAL 60 1.390 20.251 -2.471 435 HG13 VAL 60 HG13 VAL 60 1.131 19.831 -0.778 436 HG21 VAL 60 HG21 VAL 60 3.759 20.548 -2.252 437 HG22 VAL 60 HG22 VAL 60 3.086 21.977 -3.035 438 HG23 VAL 60 HG23 VAL 60 4.264 22.156 -1.735 439 H GLU 61 H GLU 61 3.370 24.580 -2.103 440 HA GLU 61 HA GLU 61 5.204 24.974 0.067 441 HB2 GLU 61 HB2 GLU 61 6.107 24.973 -2.147 442 HB3 GLU 61 HB3 GLU 61 4.976 26.211 -2.675 443 HG2 GLU 61 HG2 GLU 61 6.872 26.830 -0.465 444 HG3 GLU 61 HG3 GLU 61 7.460 26.805 -2.127 445 H GLN 62 H GLN 62 2.525 26.740 -1.328 446 HA GLN 62 HA GLN 62 3.065 29.093 0.291 447 HB2 GLN 62 HB2 GLN 62 1.218 30.116 -0.863 448 HB3 GLN 62 HB3 GLN 62 2.224 29.292 -2.046 449 HG2 GLN 62 HG2 GLN 62 0.669 27.498 -2.233 450 HG3 GLN 62 HG3 GLN 62 -0.273 28.102 -0.871 451 HE21 GLN 62 HE21 GLN 62 0.430 28.417 -4.232 452 HE22 GLN 62 HE22 GLN 62 -0.810 29.560 -4.605 453 H HIS 63 H HIS 63 1.075 26.259 0.338 454 HA HIS 63 HA HIS 63 -0.781 27.266 2.295 455 HB2 HIS 63 HB2 HIS 63 -1.433 25.532 0.657 456 HB3 HIS 63 HB3 HIS 63 -0.279 24.423 1.390 457 HD1 HIS 63 HD1 HIS 63 -2.791 26.656 3.155 458 HD2 HIS 63 HD2 HIS 63 -1.921 22.631 2.606 459 HE1 HIS 63 HE1 HIS 63 -4.383 25.414 4.653 460 H ASN 64 H ASN 64 2.279 25.651 2.310 461 HA ASN 64 HA ASN 64 2.041 24.937 5.130 462 HB2 ASN 64 HB2 ASN 64 4.031 24.324 2.967 463 HB3 ASN 64 HB3 ASN 64 4.472 24.110 4.659 464 HD21 ASN 64 HD21 ASN 64 4.358 22.058 5.177 465 HD22 ASN 64 HD22 ASN 64 3.110 20.956 4.718 466 H GLU 65 H GLU 65 2.443 26.476 6.570 467 HA GLU 65 HA GLU 65 3.788 28.882 6.029 468 HB2 GLU 65 HB2 GLU 65 3.614 29.342 8.377 469 HB3 GLU 65 HB3 GLU 65 2.143 28.522 7.873 470 HG2 GLU 65 HG2 GLU 65 3.202 26.387 8.709 471 HG3 GLU 65 HG3 GLU 65 4.442 27.401 9.444 472 H ILE 66 H ILE 66 5.854 29.575 6.388 473 HA ILE 66 HA ILE 66 7.805 27.512 7.181 474 HB ILE 66 HB ILE 66 9.442 28.846 5.763 475 HG12 ILE 66 HG12 ILE 66 6.854 29.956 4.655 476 HG13 ILE 66 HG13 ILE 66 8.079 30.872 5.525 477 HG21 ILE 66 HG21 ILE 66 7.699 26.768 5.142 478 HG22 ILE 66 HG22 ILE 66 7.621 27.854 3.756 479 HG23 ILE 66 HG23 ILE 66 9.175 27.208 4.282 480 HD11 ILE 66 HD11 ILE 66 7.925 30.194 2.733 481 HD12 ILE 66 HD12 ILE 66 8.970 31.351 3.558 482 HD13 ILE 66 HD13 ILE 66 9.451 29.659 3.437 483 H SER 67 H SER 67 9.097 27.969 8.846 484 HA SER 67 HA SER 67 8.806 30.508 10.194 485 HB2 SER 67 HB2 SER 67 10.609 28.207 10.965 486 HB3 SER 67 HB3 SER 67 10.020 29.503 12.005 487 HG SER 67 HG SER 67 8.887 27.159 11.516 488 H ASP 68 H ASP 68 11.087 31.185 11.290 489 HA ASP 68 HA ASP 68 12.525 32.477 9.263 490 HB2 ASP 68 HB2 ASP 68 13.181 31.945 12.161 491 HB3 ASP 68 HB3 ASP 68 14.214 32.913 11.113 492 H GLU 69 H GLU 69 13.113 29.455 10.969 493 HA GLU 69 HA GLU 69 15.692 29.065 9.734 494 HB2 GLU 69 HB2 GLU 69 15.739 26.955 10.921 495 HB3 GLU 69 HB3 GLU 69 15.204 28.227 12.009 496 HG2 GLU 69 HG2 GLU 69 12.906 27.513 11.770 497 HG3 GLU 69 HG3 GLU 69 13.388 26.285 10.600 498 H GLU 70 H GLU 70 12.390 27.993 9.244 499 HA GLU 70 HA GLU 70 12.991 25.941 7.370 500 HB2 GLU 70 HB2 GLU 70 10.812 26.394 8.736 501 HB3 GLU 70 HB3 GLU 70 10.388 27.428 7.380 502 HG2 GLU 70 HG2 GLU 70 9.388 25.383 6.895 503 HG3 GLU 70 HG3 GLU 70 10.846 25.407 5.904 504 H ASN 71 H ASN 71 11.564 29.178 6.890 505 HA ASN 71 HA ASN 71 11.643 29.191 4.113 506 HB2 ASN 71 HB2 ASN 71 10.402 30.865 5.364 507 HB3 ASN 71 HB3 ASN 71 11.895 31.512 6.037 508 HD21 ASN 71 HD21 ASN 71 11.115 30.513 2.737 509 HD22 ASN 71 HD22 ASN 71 11.418 32.052 2.013 510 H ASP 72 H ASP 72 14.188 29.632 6.416 511 HA ASP 72 HA ASP 72 16.022 30.820 4.526 512 HB2 ASP 72 HB2 ASP 72 16.105 31.336 6.961 513 HB3 ASP 72 HB3 ASP 72 16.586 29.669 7.266 514 H MET 73 H MET 73 15.303 27.642 5.803 515 HA MET 73 HA MET 73 17.647 26.347 4.873 516 HB2 MET 73 HB2 MET 73 16.014 25.490 6.617 517 HB3 MET 73 HB3 MET 73 14.953 25.054 5.284 518 HG2 MET 73 HG2 MET 73 16.106 23.095 5.847 519 HG3 MET 73 HG3 MET 73 16.868 23.688 4.373 520 HE1 MET 73 HE1 MET 73 16.824 23.490 8.067 521 HE2 MET 73 HE2 MET 73 17.996 22.183 7.896 522 HE3 MET 73 HE3 MET 73 18.482 23.716 8.622 523 H LEU 74 H LEU 74 14.628 27.220 3.379 524 HA LEU 74 HA LEU 74 14.679 25.471 1.181 525 HB2 LEU 74 HB2 LEU 74 12.694 26.708 1.739 526 HB3 LEU 74 HB3 LEU 74 13.526 28.239 1.476 527 HG LEU 74 HG LEU 74 13.356 26.382 -0.829 528 HD11 LEU 74 HD11 LEU 74 11.081 26.550 0.494 529 HD12 LEU 74 HD12 LEU 74 11.131 26.631 -1.267 530 HD13 LEU 74 HD13 LEU 74 10.994 28.112 -0.320 531 HD21 LEU 74 HD21 LEU 74 13.623 29.261 -0.280 532 HD22 LEU 74 HD22 LEU 74 12.636 28.842 -1.680 533 HD23 LEU 74 HD23 LEU 74 14.306 28.282 -1.577 534 H ASP 75 H ASP 75 16.427 28.391 1.865 535 HA ASP 75 HA ASP 75 17.225 28.944 -0.819 536 HB2 ASP 75 HB2 ASP 75 17.560 30.144 1.761 537 HB3 ASP 75 HB3 ASP 75 19.137 30.003 0.989 538 H LEU 76 H LEU 76 18.330 26.807 1.656 539 HA LEU 76 HA LEU 76 20.943 26.418 0.472 540 HB2 LEU 76 HB2 LEU 76 19.491 25.265 2.820 541 HB3 LEU 76 HB3 LEU 76 20.952 24.492 2.208 542 HG LEU 76 HG LEU 76 22.011 26.848 2.510 543 HD11 LEU 76 HD11 LEU 76 20.848 27.793 4.686 544 HD12 LEU 76 HD12 LEU 76 19.418 27.084 3.937 545 HD13 LEU 76 HD13 LEU 76 20.351 28.304 3.072 546 HD21 LEU 76 HD21 LEU 76 22.459 24.721 3.800 547 HD22 LEU 76 HD22 LEU 76 21.309 25.312 4.999 548 HD23 LEU 76 HD23 LEU 76 22.776 26.229 4.658 549 H ALA 77 H ALA 77 17.789 25.028 0.274 550 HA ALA 77 HA ALA 77 18.277 22.429 -0.509 551 HB1 ALA 77 HB1 ALA 77 16.041 23.544 -0.148 552 HB2 ALA 77 HB2 ALA 77 16.184 24.167 -1.792 553 HB3 ALA 77 HB3 ALA 77 16.134 22.427 -1.510 554 H PHE 78 H PHE 78 19.762 21.799 -1.938 555 HA PHE 78 HA PHE 78 19.676 22.972 -4.625 556 HB2 PHE 78 HB2 PHE 78 22.052 22.738 -2.821 557 HB3 PHE 78 HB3 PHE 78 22.277 22.564 -4.558 558 HD1 PHE 78 HD2 PHE 78 21.049 24.467 -5.972 559 HD2 PHE 78 HD1 PHE 78 22.317 24.826 -1.925 560 HE1 PHE 78 HE2 PHE 78 21.103 26.915 -6.209 561 HE2 PHE 78 HE1 PHE 78 22.371 27.275 -2.155 562 HZ PHE 78 HZ PHE 78 21.765 28.323 -4.300 563 H GLY 79 H GLY 79 19.485 21.467 -6.150 564 HA2 GLY 79 HA2 GLY 79 20.396 19.430 -7.156 565 HA3 GLY 79 HA3 GLY 79 20.444 18.741 -5.540 566 H LEU 80 H LEU 80 17.819 19.795 -4.806 567 HA LEU 80 HA LEU 80 16.240 17.618 -5.712 568 HB2 LEU 80 HB2 LEU 80 16.137 19.091 -3.530 569 HB3 LEU 80 HB3 LEU 80 15.000 20.035 -4.491 570 HG LEU 80 HG LEU 80 13.666 17.933 -4.806 571 HD11 LEU 80 HD11 LEU 80 15.503 16.889 -2.656 572 HD12 LEU 80 HD12 LEU 80 15.455 16.335 -4.330 573 HD13 LEU 80 HD13 LEU 80 14.062 16.084 -3.277 574 HD21 LEU 80 HD21 LEU 80 12.642 19.259 -3.270 575 HD22 LEU 80 HD22 LEU 80 14.071 19.365 -2.242 576 HD23 LEU 80 HD23 LEU 80 13.070 17.913 -2.214 577 H THR 81 H THR 81 14.062 17.887 -6.699 578 HA THR 81 HA THR 81 14.299 19.465 -9.111 579 HB THR 81 HB THR 81 11.940 18.399 -9.509 580 HG1 THR 81 HG1 THR 81 11.582 16.556 -8.280 581 HG21 THR 81 HG21 THR 81 14.637 17.468 -9.882 582 HG22 THR 81 HG22 THR 81 13.235 17.277 -10.935 583 HG23 THR 81 HG23 THR 81 13.545 16.102 -9.657 584 H ASP 82 H ASP 82 12.242 20.591 -9.903 585 HA ASP 82 HA ASP 82 11.526 22.568 -7.919 586 HB2 ASP 82 HB2 ASP 82 12.064 22.933 -10.449 587 HB3 ASP 82 HB3 ASP 82 10.376 22.487 -10.689 588 H THR 83 H THR 83 10.384 19.592 -8.538 589 HA THR 83 HA THR 83 7.562 20.307 -8.131 590 HB THR 83 HB THR 83 6.929 18.225 -8.991 591 HG1 THR 83 HG1 THR 83 8.053 16.508 -8.501 592 HG21 THR 83 HG21 THR 83 7.908 18.108 -11.140 593 HG22 THR 83 HG22 THR 83 9.449 18.737 -10.557 594 HG23 THR 83 HG23 THR 83 8.042 19.797 -10.650 595 H SER 84 H SER 84 10.314 18.935 -6.597 596 HA SER 84 HA SER 84 8.719 17.695 -4.489 597 HB2 SER 84 HB2 SER 84 10.583 16.370 -5.221 598 HB3 SER 84 HB3 SER 84 11.692 17.729 -5.041 599 HG SER 84 HG SER 84 10.975 15.916 -3.220 600 H ARG 85 H ARG 85 9.356 18.120 -2.208 601 HA ARG 85 HA ARG 85 9.833 20.998 -1.833 602 HB2 ARG 85 HB2 ARG 85 8.605 20.816 0.245 603 HB3 ARG 85 HB3 ARG 85 7.644 20.136 -1.061 604 HG2 ARG 85 HG2 ARG 85 8.747 17.888 -0.275 605 HG3 ARG 85 HG3 ARG 85 8.959 18.779 1.233 606 HD2 ARG 85 HD2 ARG 85 6.310 19.197 0.225 607 HD3 ARG 85 HD3 ARG 85 6.648 17.468 0.302 608 HE ARG 85 HE ARG 85 6.672 17.602 2.596 609 HH11 ARG 85 HH11 ARG 85 6.742 20.807 1.238 610 HH12 ARG 85 HH12 ARG 85 6.478 21.597 2.757 611 HH21 ARG 85 HH21 ARG 85 6.325 18.631 4.601 612 HH22 ARG 85 HH22 ARG 85 6.242 20.359 4.669 613 H LEU 86 H LEU 86 10.934 21.603 0.218 614 HA LEU 86 HA LEU 86 13.487 20.583 0.380 615 HB2 LEU 86 HB2 LEU 86 12.684 22.748 1.316 616 HB3 LEU 86 HB3 LEU 86 11.972 21.851 2.656 617 HG LEU 86 HG LEU 86 14.171 21.154 3.399 618 HD11 LEU 86 HD11 LEU 86 14.933 22.032 0.743 619 HD12 LEU 86 HD12 LEU 86 15.770 20.959 1.864 620 HD13 LEU 86 HD13 LEU 86 15.976 22.706 1.996 621 HD21 LEU 86 HD21 LEU 86 14.398 23.049 4.539 622 HD22 LEU 86 HD22 LEU 86 13.153 23.737 3.496 623 HD23 LEU 86 HD23 LEU 86 14.858 23.945 3.091 624 H GLY 87 H GLY 87 14.562 19.429 2.151 625 HA2 GLY 87 HA2 GLY 87 14.826 17.586 3.493 626 HA3 GLY 87 HA3 GLY 87 13.194 17.896 4.065 627 H CYS 88 H CYS 88 14.794 16.663 1.124 628 HA CYS 88 HA CYS 88 13.615 14.118 1.263 629 HB2 CYS 88 HB2 CYS 88 11.661 15.794 0.642 630 HB3 CYS 88 HB3 CYS 88 12.348 15.644 -0.970 631 HG CYS 88 HG CYS 88 10.252 13.902 -0.973 632 H GLN 89 H GLN 89 13.913 12.879 -0.801 633 HA GLN 89 HA GLN 89 16.126 14.007 -2.385 634 HB2 GLN 89 HB2 GLN 89 16.923 11.588 -2.562 635 HB3 GLN 89 HB3 GLN 89 17.161 12.395 -1.017 636 HG2 GLN 89 HG2 GLN 89 15.432 11.198 0.006 637 HG3 GLN 89 HG3 GLN 89 14.765 10.675 -1.540 638 HE21 GLN 89 HE21 GLN 89 16.695 9.832 1.051 639 HE22 GLN 89 HE22 GLN 89 17.448 8.432 0.376 640 H ILE 90 H ILE 90 13.195 13.864 -2.875 641 HA ILE 90 HA ILE 90 11.788 13.494 -4.624 642 HB ILE 90 HB ILE 90 14.097 12.598 -6.314 643 HG12 ILE 90 HG12 ILE 90 13.470 15.437 -5.476 644 HG13 ILE 90 HG13 ILE 90 14.935 14.535 -5.103 645 HG21 ILE 90 HG21 ILE 90 11.786 14.402 -6.989 646 HG22 ILE 90 HG22 ILE 90 12.875 13.568 -8.097 647 HG23 ILE 90 HG23 ILE 90 11.716 12.647 -7.140 648 HD11 ILE 90 HD11 ILE 90 14.243 16.060 -7.461 649 HD12 ILE 90 HD12 ILE 90 15.816 15.499 -6.894 650 HD13 ILE 90 HD13 ILE 90 14.792 14.431 -7.854 651 H ILE 91 H ILE 91 11.312 11.582 -3.109 652 HA ILE 91 HA ILE 91 11.712 9.068 -4.597 653 HB ILE 91 HB ILE 91 11.180 7.996 -2.307 654 HG12 ILE 91 HG12 ILE 91 12.144 10.720 -1.406 655 HG13 ILE 91 HG13 ILE 91 10.504 10.111 -1.213 656 HG21 ILE 91 HG21 ILE 91 13.307 7.438 -2.613 657 HG22 ILE 91 HG22 ILE 91 13.614 8.922 -3.514 658 HG23 ILE 91 HG23 ILE 91 13.771 8.909 -1.757 659 HD11 ILE 91 HD11 ILE 91 12.475 8.295 -0.119 660 HD12 ILE 91 HD12 ILE 91 12.558 9.901 0.607 661 HD13 ILE 91 HD13 ILE 91 11.042 9.000 0.629 662 H LEU 92 H LEU 92 9.886 8.892 -5.779 663 HA LEU 92 HA LEU 92 7.358 9.807 -5.218 664 HB2 LEU 92 HB2 LEU 92 6.618 7.765 -6.631 665 HB3 LEU 92 HB3 LEU 92 7.608 9.025 -7.365 666 HG LEU 92 HG LEU 92 9.136 6.796 -6.223 667 HD11 LEU 92 HD11 LEU 92 6.883 5.928 -7.364 668 HD12 LEU 92 HD12 LEU 92 8.421 5.079 -7.512 669 HD13 LEU 92 HD13 LEU 92 7.869 6.135 -8.812 670 HD21 LEU 92 HD21 LEU 92 9.366 7.506 -9.058 671 HD22 LEU 92 HD22 LEU 92 10.606 7.395 -7.809 672 HD23 LEU 92 HD23 LEU 92 9.615 8.849 -7.941 673 H THR 93 H THR 93 5.400 8.623 -4.602 674 HA THR 93 HA THR 93 5.806 6.330 -2.842 675 HB THR 93 HB THR 93 5.921 7.803 -1.095 676 HG1 THR 93 HG1 THR 93 4.147 7.145 -0.168 677 HG21 THR 93 HG21 THR 93 4.100 9.666 -2.625 678 HG22 THR 93 HG22 THR 93 5.842 9.840 -2.412 679 HG23 THR 93 HG23 THR 93 4.764 9.988 -1.024 680 H LYS 94 H LYS 94 3.803 5.267 -2.241 681 HA LYS 94 HA LYS 94 1.990 5.087 -4.410 682 HB2 LYS 94 HB2 LYS 94 1.137 3.255 -3.341 683 HB3 LYS 94 HB3 LYS 94 2.678 3.370 -2.502 684 HG2 LYS 94 HG2 LYS 94 1.273 4.896 -0.869 685 HG3 LYS 94 HG3 LYS 94 -0.064 3.953 -1.530 686 HD2 LYS 94 HD2 LYS 94 2.370 2.501 -0.625 687 HD3 LYS 94 HD3 LYS 94 1.283 3.153 0.604 688 HE2 LYS 94 HE2 LYS 94 0.369 1.407 -1.675 689 HE3 LYS 94 HE3 LYS 94 0.830 0.779 -0.094 690 HZ1 LYS 94 HZ1 LYS 94 -1.421 2.601 -0.726 691 HZ2 LYS 94 HZ2 LYS 94 -0.895 2.300 0.853 692 HZ3 LYS 94 HZ3 LYS 94 -1.505 1.035 -0.090 693 H GLU 95 H GLU 95 2.177 7.249 -1.838 694 HA GLU 95 HA GLU 95 -0.466 7.708 -1.122 695 HB2 GLU 95 HB2 GLU 95 2.008 9.361 -1.178 696 HB3 GLU 95 HB3 GLU 95 0.477 10.201 -0.974 697 HG2 GLU 95 HG2 GLU 95 1.105 7.849 0.746 698 HG3 GLU 95 HG3 GLU 95 1.835 9.414 1.099 699 H LEU 96 H LEU 96 1.154 8.363 -4.087 700 HA LEU 96 HA LEU 96 -0.915 10.214 -4.989 701 HB2 LEU 96 HB2 LEU 96 1.518 9.190 -6.444 702 HB3 LEU 96 HB3 LEU 96 0.455 10.491 -6.974 703 HG LEU 96 HG LEU 96 1.286 11.388 -4.524 704 HD11 LEU 96 HD11 LEU 96 2.894 9.652 -4.195 705 HD12 LEU 96 HD12 LEU 96 3.765 11.132 -4.592 706 HD13 LEU 96 HD13 LEU 96 3.552 9.880 -5.815 707 HD21 LEU 96 HD21 LEU 96 2.644 11.890 -7.169 708 HD22 LEU 96 HD22 LEU 96 2.619 12.964 -5.771 709 HD23 LEU 96 HD23 LEU 96 1.129 12.632 -6.655 710 H ASP 97 H ASP 97 -1.418 7.334 -4.450 711 HA ASP 97 HA ASP 97 -1.654 5.827 -6.777 712 HB2 ASP 97 HB2 ASP 97 -3.330 4.516 -5.585 713 HB3 ASP 97 HB3 ASP 97 -1.998 4.924 -4.506 714 H GLY 98 H GLY 98 -2.716 6.245 -8.591 715 HA2 GLY 98 HA2 GLY 98 -4.573 6.679 -9.930 716 HA3 GLY 98 HA3 GLY 98 -5.455 7.187 -8.498 717 H LEU 99 H LEU 99 -2.698 8.823 -8.203 718 HA LEU 99 HA LEU 99 -3.844 11.209 -9.439 719 HB2 LEU 99 HB2 LEU 99 -1.961 10.666 -7.220 720 HB3 LEU 99 HB3 LEU 99 -1.711 12.155 -8.130 721 HG LEU 99 HG LEU 99 -4.268 11.391 -6.720 722 HD11 LEU 99 HD11 LEU 99 -2.001 12.084 -5.465 723 HD12 LEU 99 HD12 LEU 99 -3.606 12.541 -4.895 724 HD13 LEU 99 HD13 LEU 99 -2.644 13.687 -5.828 725 HD21 LEU 99 HD21 LEU 99 -3.495 13.566 -8.552 726 HD22 LEU 99 HD22 LEU 99 -4.385 14.054 -7.110 727 HD23 LEU 99 HD23 LEU 99 -5.080 12.869 -8.217 728 H CYS 100 H CYS 100 -2.719 12.523 -10.873 729 HA CYS 100 HA CYS 100 -0.519 11.178 -12.275 730 HB2 CYS 100 HB2 CYS 100 -1.078 12.700 -14.159 731 HB3 CYS 100 HB3 CYS 100 -2.423 11.669 -13.687 732 HG CYS 100 HG CYS 100 -2.910 14.558 -14.378 733 H VAL 101 H VAL 101 1.479 11.971 -12.200 734 HA VAL 101 HA VAL 101 1.883 14.806 -11.575 735 HB VAL 101 HB VAL 101 3.675 14.272 -9.981 736 HG11 VAL 101 HG11 VAL 101 1.009 14.331 -9.498 737 HG12 VAL 101 HG12 VAL 101 1.448 12.779 -8.780 738 HG13 VAL 101 HG13 VAL 101 2.247 14.258 -8.244 739 HG21 VAL 101 HG21 VAL 101 3.021 11.610 -9.277 740 HG22 VAL 101 HG22 VAL 101 3.322 11.641 -11.015 741 HG23 VAL 101 HG23 VAL 101 4.551 12.232 -9.897 742 H ILE 102 H ILE 102 4.230 15.426 -11.878 743 HA ILE 102 HA ILE 102 5.119 14.359 -14.420 744 HB ILE 102 HB ILE 102 6.346 16.578 -12.782 745 HG12 ILE 102 HG12 ILE 102 4.005 17.073 -13.349 746 HG13 ILE 102 HG13 ILE 102 5.110 18.112 -14.242 747 HG21 ILE 102 HG21 ILE 102 7.963 15.938 -14.319 748 HG22 ILE 102 HG22 ILE 102 6.773 15.558 -15.562 749 HG23 ILE 102 HG23 ILE 102 7.118 17.239 -15.157 750 HD11 ILE 102 HD11 ILE 102 3.394 17.425 -15.727 751 HD12 ILE 102 HD12 ILE 102 4.862 16.559 -16.181 752 HD13 ILE 102 HD13 ILE 102 3.596 15.733 -15.274 753 H LEU 103 H LEU 103 7.210 13.553 -14.835 754 HA LEU 103 HA LEU 103 8.208 11.754 -12.923 755 HB2 LEU 103 HB2 LEU 103 9.682 12.831 -15.318 756 HB3 LEU 103 HB3 LEU 103 9.981 11.310 -14.481 757 HG LEU 103 HG LEU 103 7.266 11.450 -15.468 758 HD11 LEU 103 HD11 LEU 103 9.227 11.301 -17.694 759 HD12 LEU 103 HD12 LEU 103 8.739 12.893 -17.115 760 HD13 LEU 103 HD13 LEU 103 7.525 11.761 -17.712 761 HD21 LEU 103 HD21 LEU 103 8.678 9.458 -14.738 762 HD22 LEU 103 HD22 LEU 103 9.465 9.585 -16.312 763 HD23 LEU 103 HD23 LEU 103 7.731 9.274 -16.215 764 HA PRO 104 HA PRO 104 10.907 14.187 -10.449 765 HB2 PRO 104 HB2 PRO 104 12.723 12.300 -9.735 766 HB3 PRO 104 HB3 PRO 104 11.082 12.350 -9.080 767 HG2 PRO 104 HG2 PRO 104 12.192 10.652 -11.281 768 HG3 PRO 104 HG3 PRO 104 11.102 10.197 -9.958 769 HD2 PRO 104 HD2 PRO 104 10.218 10.688 -12.470 770 HD3 PRO 104 HD3 PRO 104 9.245 11.044 -11.028 771 H THR 105 H THR 105 12.633 11.968 -12.647 772 HA THR 105 HA THR 105 14.127 14.133 -13.801 773 HB THR 105 HB THR 105 16.016 12.137 -12.759 774 HG1 THR 105 HG1 THR 105 15.565 12.394 -10.715 775 HG21 THR 105 HG21 THR 105 17.270 13.822 -13.543 776 HG22 THR 105 HG22 THR 105 16.862 14.659 -12.045 777 HG23 THR 105 HG23 THR 105 15.920 14.955 -13.506 778 H GLU 106 H GLU 106 15.959 13.108 -15.254 779 HA GLU 106 HA GLU 106 14.702 11.548 -17.192 780 HB2 GLU 106 HB2 GLU 106 16.998 11.229 -18.129 781 HB3 GLU 106 HB3 GLU 106 16.586 12.904 -17.791 782 HG2 GLU 106 HG2 GLU 106 17.838 12.735 -15.663 783 HG3 GLU 106 HG3 GLU 106 18.328 11.106 -16.123 784 H THR 107 H THR 107 14.187 9.473 -17.223 785 HA THR 107 HA THR 107 15.899 7.555 -15.797 786 HB THR 107 HB THR 107 13.031 6.881 -15.822 787 HG1 THR 107 HG1 THR 107 14.045 9.135 -14.445 788 HG21 THR 107 HG21 THR 107 14.127 6.763 -13.242 789 HG22 THR 107 HG22 THR 107 15.421 6.278 -14.337 790 HG23 THR 107 HG23 THR 107 13.878 5.425 -14.363 791 H ARG 108 H ARG 108 15.788 5.377 -16.592 792 HA ARG 108 HA ARG 108 14.845 5.226 -19.380 793 HB2 ARG 108 HB2 ARG 108 17.368 5.165 -18.914 794 HB3 ARG 108 HB3 ARG 108 17.082 3.568 -18.235 795 HG2 ARG 108 HG2 ARG 108 16.025 4.111 -20.950 796 HG3 ARG 108 HG3 ARG 108 17.771 3.930 -20.764 797 HD2 ARG 108 HD2 ARG 108 16.951 1.824 -19.323 798 HD3 ARG 108 HD3 ARG 108 15.605 1.940 -20.456 799 HE ARG 108 HE ARG 108 17.981 2.080 -21.915 800 HH11 ARG 108 HH11 ARG 108 16.213 -0.196 -19.962 801 HH12 ARG 108 HH12 ARG 108 16.818 -1.585 -20.802 802 HH21 ARG 108 HH21 ARG 108 18.785 0.259 -23.029 803 HH22 ARG 108 HH22 ARG 108 18.282 -1.326 -22.546 804 H ASN 109 H ASN 109 14.782 3.806 -16.243 805 HA ASN 109 HA ASN 109 14.109 1.177 -16.731 806 HB2 ASN 109 HB2 ASN 109 12.915 2.968 -14.602 807 HB3 ASN 109 HB3 ASN 109 12.954 1.207 -14.573 808 HD21 ASN 109 HD21 ASN 109 14.202 3.572 -13.003 809 HD22 ASN 109 HD22 ASN 109 15.837 3.060 -12.783 810 H ILE 110 H ILE 110 12.167 0.058 -17.023 811 HA ILE 110 HA ILE 110 9.630 1.251 -17.235 812 HB ILE 110 HB ILE 110 10.487 2.347 -19.218 813 HG12 ILE 110 HG12 ILE 110 8.668 0.035 -19.930 814 HG13 ILE 110 HG13 ILE 110 8.154 1.573 -19.246 815 HG21 ILE 110 HG21 ILE 110 11.957 1.411 -20.595 816 HG22 ILE 110 HG22 ILE 110 11.950 -0.012 -19.555 817 HG23 ILE 110 HG23 ILE 110 10.859 0.073 -20.937 818 HD11 ILE 110 HD11 ILE 110 9.363 2.539 -21.369 819 HD12 ILE 110 HD12 ILE 110 9.048 0.921 -21.998 820 HD13 ILE 110 HD13 ILE 110 7.710 1.929 -21.448 821 H SER 111 H SER 111 8.191 -0.327 -16.982 822 HA SER 111 HA SER 111 8.175 -2.767 -18.367 823 HB2 SER 111 HB2 SER 111 9.674 -2.729 -15.808 824 HB3 SER 111 HB3 SER 111 8.564 -4.079 -16.043 825 HG SER 111 HG SER 111 10.947 -3.517 -17.293 826 H PHE 112 H PHE 112 6.461 -4.214 -17.637 827 HA PHE 112 HA PHE 112 4.551 -2.928 -15.805 828 HB2 PHE 112 HB2 PHE 112 3.897 -4.212 -18.466 829 HB3 PHE 112 HB3 PHE 112 2.710 -3.627 -17.305 830 HD1 PHE 112 HD1 PHE 112 5.517 -2.543 -19.468 831 HD2 PHE 112 HD2 PHE 112 2.034 -1.395 -17.308 832 HE1 PHE 112 HE1 PHE 112 5.621 -0.310 -20.496 833 HE2 PHE 112 HE2 PHE 112 2.132 0.840 -18.333 834 HZ PHE 112 HZ PHE 112 3.927 1.385 -19.928 835 H VAL 113 H VAL 113 6.012 -4.702 -14.638 836 HA VAL 113 HA VAL 113 4.340 -7.118 -14.519 837 HB VAL 113 HB VAL 113 7.340 -7.185 -14.210 838 HG11 VAL 113 HG11 VAL 113 6.723 -9.685 -14.744 839 HG12 VAL 113 HG12 VAL 113 6.578 -9.045 -13.106 840 HG13 VAL 113 HG13 VAL 113 5.146 -9.197 -14.124 841 HG21 VAL 113 HG21 VAL 113 5.647 -7.352 -16.625 842 HG22 VAL 113 HG22 VAL 113 7.324 -6.837 -16.448 843 HG23 VAL 113 HG23 VAL 113 6.927 -8.556 -16.478 844 H LYS 114 H LYS 114 4.251 -8.147 -12.474 845 HA LYS 114 HA LYS 114 4.711 -6.304 -10.259 846 HB2 LYS 114 HB2 LYS 114 3.196 -8.918 -10.384 847 HB3 LYS 114 HB3 LYS 114 3.302 -7.883 -8.966 848 HG2 LYS 114 HG2 LYS 114 2.075 -6.152 -10.040 849 HG3 LYS 114 HG3 LYS 114 2.160 -6.978 -11.597 850 HD2 LYS 114 HD2 LYS 114 0.031 -7.529 -10.912 851 HD3 LYS 114 HD3 LYS 114 0.953 -8.907 -10.305 852 HE2 LYS 114 HE2 LYS 114 -0.341 -8.334 -8.476 853 HE3 LYS 114 HE3 LYS 114 1.169 -7.487 -8.146 854 HZ1 LYS 114 HZ1 LYS 114 -0.967 -6.098 -9.609 855 HZ2 LYS 114 HZ2 LYS 114 0.239 -5.459 -8.610 856 HZ3 LYS 114 HZ3 LYS 114 -1.089 -6.256 -7.929 857 H ASN 115 H ASN 115 7.112 -6.960 -10.886 858 HA ASN 115 HA ASN 115 8.231 -9.377 -10.164 859 HB2 ASN 115 HB2 ASN 115 9.302 -6.564 -10.035 860 HB3 ASN 115 HB3 ASN 115 10.290 -7.948 -9.578 861 HD21 ASN 115 HD21 ASN 115 9.690 -9.825 -11.378 862 HD22 ASN 115 HD22 ASN 115 10.087 -9.302 -12.976 863 H SER 116 H SER 116 9.379 -10.049 -8.258 864 HA SER 116 HA SER 116 7.892 -9.892 -5.912 865 HB2 SER 116 HB2 SER 116 10.844 -10.535 -6.090 866 HB3 SER 116 HB3 SER 116 9.719 -11.051 -4.833 867 HG SER 116 HG SER 116 10.043 -11.989 -7.437 Start of MODEL 6 1 H1 MET 1 H MET 1 0.937 -0.015 -0.610 2 HA MET 1 HA MET 1 1.998 0.487 -2.591 3 HB2 MET 1 HB2 MET 1 2.214 -1.581 -4.030 4 HB3 MET 1 HB3 MET 1 2.658 -1.780 -2.340 5 HG2 MET 1 HG2 MET 1 0.554 -2.853 -1.869 6 HG3 MET 1 HG3 MET 1 0.000 -2.557 -3.515 7 HE1 MET 1 HE1 MET 1 0.016 -4.933 -1.735 8 HE2 MET 1 HE2 MET 1 0.158 -6.184 -2.971 9 HE3 MET 1 HE3 MET 1 1.414 -6.010 -1.743 10 HA PRO 2 HA PRO 2 -1.930 1.405 -4.936 11 HB2 PRO 2 HB2 PRO 2 -1.550 4.092 -5.019 12 HB3 PRO 2 HB3 PRO 2 -2.372 3.279 -3.682 13 HG2 PRO 2 HG2 PRO 2 0.460 4.230 -3.866 14 HG3 PRO 2 HG3 PRO 2 -0.681 4.368 -2.515 15 HD2 PRO 2 HD2 PRO 2 1.259 2.480 -2.597 16 HD3 PRO 2 HD3 PRO 2 -0.312 2.202 -1.819 17 H LEU 3 H LEU 3 -1.891 3.273 -6.835 18 HA LEU 3 HA LEU 3 0.530 2.716 -8.420 19 HB2 LEU 3 HB2 LEU 3 -1.153 1.428 -9.417 20 HB3 LEU 3 HB3 LEU 3 -2.362 2.693 -9.210 21 HG LEU 3 HG LEU 3 -1.130 4.032 -10.932 22 HD11 LEU 3 HD11 LEU 3 0.906 2.285 -10.522 23 HD12 LEU 3 HD12 LEU 3 0.737 3.315 -11.943 24 HD13 LEU 3 HD13 LEU 3 0.188 1.640 -11.998 25 HD21 LEU 3 HD21 LEU 3 -3.106 2.340 -11.272 26 HD22 LEU 3 HD22 LEU 3 -1.890 1.428 -12.167 27 HD23 LEU 3 HD23 LEU 3 -2.298 3.073 -12.658 28 H ILE 4 H ILE 4 1.443 4.386 -9.518 29 HA ILE 4 HA ILE 4 0.175 7.026 -9.184 30 HB ILE 4 HB ILE 4 3.128 6.467 -9.462 31 HG12 ILE 4 HG12 ILE 4 2.399 5.579 -7.344 32 HG13 ILE 4 HG13 ILE 4 3.222 7.105 -7.043 33 HG21 ILE 4 HG21 ILE 4 1.510 8.951 -9.011 34 HG22 ILE 4 HG22 ILE 4 3.206 8.857 -8.542 35 HG23 ILE 4 HG23 ILE 4 2.745 8.640 -10.230 36 HD11 ILE 4 HD11 ILE 4 1.295 7.023 -5.660 37 HD12 ILE 4 HD12 ILE 4 0.979 8.194 -6.942 38 HD13 ILE 4 HD13 ILE 4 0.263 6.584 -7.021 39 H THR 5 H THR 5 -0.136 8.280 -10.935 40 HA THR 5 HA THR 5 0.408 7.109 -13.540 41 HB THR 5 HB THR 5 -1.131 9.602 -12.791 42 HG1 THR 5 HG1 THR 5 -2.867 8.329 -12.823 43 HG21 THR 5 HG21 THR 5 -1.873 8.636 -15.336 44 HG22 THR 5 HG22 THR 5 -0.111 8.720 -15.318 45 HG23 THR 5 HG23 THR 5 -1.066 10.155 -14.947 46 H PHE 6 H PHE 6 2.436 7.431 -14.240 47 HA PHE 6 HA PHE 6 3.744 9.998 -13.791 48 HB2 PHE 6 HB2 PHE 6 4.832 7.508 -15.119 49 HB3 PHE 6 HB3 PHE 6 5.760 8.916 -14.612 50 HD1 PHE 6 HD1 PHE 6 4.809 9.480 -11.958 51 HD2 PHE 6 HD2 PHE 6 5.479 5.718 -13.833 52 HE1 PHE 6 HE1 PHE 6 5.167 8.449 -9.753 53 HE2 PHE 6 HE2 PHE 6 5.837 4.681 -11.631 54 HZ PHE 6 HZ PHE 6 5.683 6.047 -9.587 55 H ILE 7 H ILE 7 4.017 11.516 -15.309 56 HA ILE 7 HA ILE 7 2.947 10.968 -17.984 57 HB ILE 7 HB ILE 7 3.607 13.657 -16.784 58 HG12 ILE 7 HG12 ILE 7 0.934 13.644 -16.786 59 HG13 ILE 7 HG13 ILE 7 1.200 11.919 -16.560 60 HG21 ILE 7 HG21 ILE 7 1.553 13.489 -18.842 61 HG22 ILE 7 HG22 ILE 7 2.940 14.568 -18.711 62 HG23 ILE 7 HG23 ILE 7 3.139 12.956 -19.398 63 HD11 ILE 7 HD11 ILE 7 2.884 13.421 -14.791 64 HD12 ILE 7 HD12 ILE 7 1.200 13.912 -14.612 65 HD13 ILE 7 HD13 ILE 7 1.650 12.218 -14.418 66 H SER 8 H SER 8 4.283 10.699 -19.636 67 HA SER 8 HA SER 8 7.113 11.171 -19.319 68 HB2 SER 8 HB2 SER 8 7.342 9.613 -20.930 69 HB3 SER 8 HB3 SER 8 5.604 9.361 -20.775 70 HG SER 8 HG SER 8 6.794 10.066 -22.921 71 HA PRO 9 HA PRO 9 7.509 15.031 -21.363 72 HB2 PRO 9 HB2 PRO 9 9.761 14.686 -22.839 73 HB3 PRO 9 HB3 PRO 9 9.781 14.842 -21.078 74 HG2 PRO 9 HG2 PRO 9 9.919 12.372 -22.762 75 HG3 PRO 9 HG3 PRO 9 10.853 12.793 -21.315 76 HD2 PRO 9 HD2 PRO 9 8.726 11.119 -21.239 77 HD3 PRO 9 HD3 PRO 9 9.150 12.186 -19.885 78 H ASP 10 H ASP 10 7.055 12.172 -23.185 79 HA ASP 10 HA ASP 10 6.751 13.634 -25.702 80 HB2 ASP 10 HB2 ASP 10 7.970 11.362 -25.461 81 HB3 ASP 10 HB3 ASP 10 6.352 10.672 -25.367 82 H GLY 11 H GLY 11 4.894 13.844 -23.370 83 HA2 GLY 11 HA2 GLY 11 2.628 14.160 -23.127 84 HA3 GLY 11 HA3 GLY 11 2.462 13.827 -24.845 85 H SER 12 H SER 12 4.091 11.354 -23.227 86 HA SER 12 HA SER 12 1.716 9.659 -23.404 87 HB2 SER 12 HB2 SER 12 4.582 8.823 -22.914 88 HB3 SER 12 HB3 SER 12 3.233 7.782 -23.368 89 HG SER 12 HG SER 12 3.789 8.193 -25.342 90 H ARG 13 H ARG 13 2.016 7.715 -21.668 91 HA ARG 13 HA ARG 13 2.579 8.820 -19.026 92 HB2 ARG 13 HB2 ARG 13 0.339 7.864 -18.236 93 HB3 ARG 13 HB3 ARG 13 0.300 9.380 -19.127 94 HG2 ARG 13 HG2 ARG 13 0.004 6.891 -20.697 95 HG3 ARG 13 HG3 ARG 13 -1.340 7.355 -19.651 96 HD2 ARG 13 HD2 ARG 13 -0.126 9.439 -21.388 97 HD3 ARG 13 HD3 ARG 13 -1.145 8.217 -22.147 98 HE ARG 13 HE ARG 13 -2.542 9.182 -19.956 99 HH11 ARG 13 HH11 ARG 13 -1.281 10.409 -22.960 100 HH12 ARG 13 HH12 ARG 13 -2.501 11.628 -23.125 101 HH21 ARG 13 HH21 ARG 13 -4.153 10.783 -20.161 102 HH22 ARG 13 HH22 ARG 13 -4.134 11.840 -21.532 103 H LYS 14 H LYS 14 3.062 7.282 -17.471 104 HA LYS 14 HA LYS 14 3.239 4.506 -18.448 105 HB2 LYS 14 HB2 LYS 14 5.126 5.989 -16.610 106 HB3 LYS 14 HB3 LYS 14 5.237 4.275 -16.985 107 HG2 LYS 14 HG2 LYS 14 5.264 6.305 -19.178 108 HG3 LYS 14 HG3 LYS 14 6.729 5.950 -18.261 109 HD2 LYS 14 HD2 LYS 14 6.933 4.450 -19.988 110 HD3 LYS 14 HD3 LYS 14 6.081 3.462 -18.798 111 HE2 LYS 14 HE2 LYS 14 4.116 3.507 -19.966 112 HE3 LYS 14 HE3 LYS 14 4.459 5.075 -20.695 113 HZ1 LYS 14 HZ1 LYS 14 4.763 2.594 -21.861 114 HZ2 LYS 14 HZ2 LYS 14 6.336 3.139 -21.565 115 HZ3 LYS 14 HZ3 LYS 14 5.274 4.082 -22.484 116 H THR 15 H THR 15 2.624 2.868 -17.095 117 HA THR 15 HA THR 15 1.343 3.697 -14.574 118 HB THR 15 HB THR 15 0.683 1.194 -16.123 119 HG1 THR 15 HG1 THR 15 0.295 3.326 -17.238 120 HG21 THR 15 HG21 THR 15 -1.497 1.528 -14.848 121 HG22 THR 15 HG22 THR 15 -0.624 2.714 -13.878 122 HG23 THR 15 HG23 THR 15 -0.096 1.032 -13.901 123 H TYR 16 H TYR 16 2.512 3.168 -12.854 124 HA TYR 16 HA TYR 16 3.565 0.462 -12.624 125 HB2 TYR 16 HB2 TYR 16 5.244 2.948 -12.601 126 HB3 TYR 16 HB3 TYR 16 5.724 1.551 -11.644 127 HD1 TYR 16 HD2 TYR 16 5.068 2.739 -15.082 128 HD2 TYR 16 HD1 TYR 16 6.697 -0.361 -12.666 129 HE1 TYR 16 HE2 TYR 16 6.108 1.741 -17.075 130 HE2 TYR 16 HE1 TYR 16 7.743 -1.367 -14.652 131 HH TYR 16 HH TYR 16 6.889 -0.773 -17.679 132 H GLU 17 H GLU 17 3.257 -0.340 -10.641 133 HA GLU 17 HA GLU 17 1.870 1.161 -8.678 134 HB2 GLU 17 HB2 GLU 17 3.024 -1.592 -8.819 135 HB3 GLU 17 HB3 GLU 17 2.538 -0.957 -7.254 136 HG2 GLU 17 HG2 GLU 17 0.298 -0.815 -7.868 137 HG3 GLU 17 HG3 GLU 17 0.668 -0.906 -9.589 138 H ALA 18 H ALA 18 2.672 2.560 -7.273 139 HA ALA 18 HA ALA 18 5.534 2.463 -6.638 140 HB1 ALA 18 HB1 ALA 18 4.116 4.561 -7.479 141 HB2 ALA 18 HB2 ALA 18 3.878 4.746 -5.741 142 HB3 ALA 18 HB3 ALA 18 5.509 4.718 -6.409 143 H TYR 19 H TYR 19 6.172 3.012 -4.400 144 HA TYR 19 HA TYR 19 4.292 1.834 -2.461 145 HB2 TYR 19 HB2 TYR 19 7.141 1.372 -2.981 146 HB3 TYR 19 HB3 TYR 19 6.767 1.635 -1.281 147 HD1 TYR 19 HD1 TYR 19 5.897 -0.457 -4.221 148 HD2 TYR 19 HD2 TYR 19 5.792 -0.069 0.015 149 HE1 TYR 19 HE1 TYR 19 5.145 -2.791 -4.032 150 HE2 TYR 19 HE2 TYR 19 5.041 -2.403 0.216 151 HH TYR 19 HH TYR 19 5.376 -4.604 -1.576 152 H ASP 20 H ASP 20 5.187 2.480 -0.107 153 HA ASP 20 HA ASP 20 4.850 5.353 0.008 154 HB2 ASP 20 HB2 ASP 20 3.783 3.535 1.556 155 HB3 ASP 20 HB3 ASP 20 5.316 3.632 2.419 156 H GLY 21 H GLY 21 6.540 6.665 -0.145 157 HA2 GLY 21 HA2 GLY 21 8.604 7.595 0.260 158 HA3 GLY 21 HA3 GLY 21 8.782 6.453 1.585 159 H GLU 22 H GLU 22 8.096 4.888 -1.318 160 HA GLU 22 HA GLU 22 10.868 3.993 -1.509 161 HB2 GLU 22 HB2 GLU 22 8.947 2.365 -1.376 162 HB3 GLU 22 HB3 GLU 22 8.462 2.910 -2.976 163 HG2 GLU 22 HG2 GLU 22 9.703 1.166 -3.644 164 HG3 GLU 22 HG3 GLU 22 11.030 2.312 -3.463 165 H THR 23 H THR 23 12.197 4.577 -3.099 166 HA THR 23 HA THR 23 11.323 6.488 -5.060 167 HB THR 23 HB THR 23 13.511 6.798 -4.105 168 HG1 THR 23 HG1 THR 23 14.674 6.997 -6.035 169 HG21 THR 23 HG21 THR 23 14.455 4.843 -3.434 170 HG22 THR 23 HG22 THR 23 15.254 4.966 -5.002 171 HG23 THR 23 HG23 THR 23 13.830 3.942 -4.814 172 H LEU 24 H LEU 24 11.701 6.260 -7.366 173 HA LEU 24 HA LEU 24 10.537 3.955 -8.445 174 HB2 LEU 24 HB2 LEU 24 11.042 6.436 -9.368 175 HB3 LEU 24 HB3 LEU 24 12.300 5.533 -10.209 176 HG LEU 24 HG LEU 24 9.933 4.075 -10.584 177 HD11 LEU 24 HD11 LEU 24 9.486 6.996 -11.171 178 HD12 LEU 24 HD12 LEU 24 8.731 6.114 -9.844 179 HD13 LEU 24 HD13 LEU 24 8.388 5.659 -11.513 180 HD21 LEU 24 HD21 LEU 24 11.416 4.015 -12.325 181 HD22 LEU 24 HD22 LEU 24 11.767 5.741 -12.233 182 HD23 LEU 24 HD23 LEU 24 10.253 5.185 -12.949 183 H LEU 25 H LEU 25 13.869 4.792 -7.839 184 HA LEU 25 HA LEU 25 15.179 2.983 -9.493 185 HB2 LEU 25 HB2 LEU 25 16.135 4.811 -7.976 186 HB3 LEU 25 HB3 LEU 25 16.085 3.598 -6.698 187 HG LEU 25 HG LEU 25 17.544 3.055 -9.258 188 HD11 LEU 25 HD11 LEU 25 18.675 4.477 -6.853 189 HD12 LEU 25 HD12 LEU 25 18.370 5.208 -8.428 190 HD13 LEU 25 HD13 LEU 25 19.578 3.933 -8.268 191 HD21 LEU 25 HD21 LEU 25 18.957 1.851 -7.380 192 HD22 LEU 25 HD22 LEU 25 17.511 1.109 -8.066 193 HD23 LEU 25 HD23 LEU 25 17.426 1.934 -6.508 194 H SER 26 H SER 26 13.851 2.518 -6.242 195 HA SER 26 HA SER 26 14.751 -0.160 -5.958 196 HB2 SER 26 HB2 SER 26 12.513 1.328 -4.564 197 HB3 SER 26 HB3 SER 26 13.116 -0.257 -4.079 198 HG SER 26 HG SER 26 14.093 1.440 -2.891 199 H LEU 27 H LEU 27 12.039 1.301 -7.529 200 HA LEU 27 HA LEU 27 10.184 -0.757 -7.558 201 HB2 LEU 27 HB2 LEU 27 10.228 1.682 -8.604 202 HB3 LEU 27 HB3 LEU 27 10.619 0.776 -10.064 203 HG LEU 27 HG LEU 27 8.507 -0.581 -9.574 204 HD11 LEU 27 HD11 LEU 27 8.522 0.910 -7.246 205 HD12 LEU 27 HD12 LEU 27 7.184 -0.058 -7.863 206 HD13 LEU 27 HD13 LEU 27 7.266 1.665 -8.227 207 HD21 LEU 27 HD21 LEU 27 8.867 2.046 -10.757 208 HD22 LEU 27 HD22 LEU 27 7.206 1.767 -10.231 209 HD23 LEU 27 HD23 LEU 27 7.976 0.647 -11.356 210 H ALA 28 H ALA 28 13.204 -0.471 -9.243 211 HA ALA 28 HA ALA 28 12.850 -2.238 -11.355 212 HB1 ALA 28 HB1 ALA 28 15.162 -1.252 -9.805 213 HB2 ALA 28 HB2 ALA 28 15.413 -2.728 -10.739 214 HB3 ALA 28 HB3 ALA 28 14.876 -1.254 -11.546 215 H HIS 29 H HIS 29 13.137 -2.865 -7.958 216 HA HIS 29 HA HIS 29 13.987 -5.529 -7.993 217 HB2 HIS 29 HB2 HIS 29 12.413 -3.858 -6.075 218 HB3 HIS 29 HB3 HIS 29 12.511 -5.596 -5.808 219 HD1 HIS 29 HD1 HIS 29 13.853 -5.042 -3.608 220 HD2 HIS 29 HD2 HIS 29 15.742 -3.970 -7.150 221 HE1 HIS 29 HE1 HIS 29 16.254 -4.619 -2.989 222 H ARG 30 H ARG 30 10.647 -4.294 -7.741 223 HA ARG 30 HA ARG 30 9.398 -6.793 -8.004 224 HB2 ARG 30 HB2 ARG 30 8.531 -3.954 -8.286 225 HB3 ARG 30 HB3 ARG 30 7.465 -5.208 -8.903 226 HG2 ARG 30 HG2 ARG 30 8.542 -5.220 -6.099 227 HG3 ARG 30 HG3 ARG 30 7.027 -4.434 -6.549 228 HD2 ARG 30 HD2 ARG 30 6.412 -6.713 -7.586 229 HD3 ARG 30 HD3 ARG 30 7.732 -7.347 -6.604 230 HE ARG 30 HE ARG 30 6.054 -5.817 -4.965 231 HH11 ARG 30 HH11 ARG 30 6.023 -8.796 -6.767 232 HH12 ARG 30 HH12 ARG 30 4.882 -9.571 -5.717 233 HH21 ARG 30 HH21 ARG 30 4.553 -6.826 -3.576 234 HH22 ARG 30 HH22 ARG 30 4.046 -8.449 -3.903 235 H ASN 31 H ASN 31 10.622 -4.538 -10.370 236 HA ASN 31 HA ASN 31 9.311 -5.803 -12.600 237 HB2 ASN 31 HB2 ASN 31 10.089 -3.338 -12.397 238 HB3 ASN 31 HB3 ASN 31 11.676 -3.962 -12.834 239 HD21 ASN 31 HD21 ASN 31 8.294 -4.148 -13.883 240 HD22 ASN 31 HD22 ASN 31 8.639 -4.099 -15.575 241 H ASN 32 H ASN 32 12.066 -6.440 -10.740 242 HA ASN 32 HA ASN 32 13.720 -7.993 -10.892 243 HB2 ASN 32 HB2 ASN 32 12.361 -9.114 -13.335 244 HB3 ASN 32 HB3 ASN 32 13.331 -9.964 -12.136 245 HD21 ASN 32 HD21 ASN 32 10.399 -9.940 -13.218 246 HD22 ASN 32 HD22 ASN 32 9.474 -10.144 -11.773 247 H VAL 33 H VAL 33 13.987 -5.470 -12.240 248 HA VAL 33 HA VAL 33 15.692 -6.209 -14.526 249 HB VAL 33 HB VAL 33 13.834 -4.633 -15.026 250 HG11 VAL 33 HG11 VAL 33 13.899 -3.503 -12.795 251 HG12 VAL 33 HG12 VAL 33 15.357 -2.664 -13.328 252 HG13 VAL 33 HG13 VAL 33 13.830 -2.403 -14.172 253 HG21 VAL 33 HG21 VAL 33 16.206 -4.678 -16.116 254 HG22 VAL 33 HG22 VAL 33 15.082 -3.375 -16.502 255 HG23 VAL 33 HG23 VAL 33 16.380 -3.104 -15.339 256 H ASP 34 H ASP 34 17.757 -5.273 -14.723 257 HA ASP 34 HA ASP 34 18.860 -4.258 -12.185 258 HB2 ASP 34 HB2 ASP 34 19.925 -6.163 -14.219 259 HB3 ASP 34 HB3 ASP 34 21.071 -5.131 -13.368 260 H LEU 35 H LEU 35 19.379 -2.183 -12.236 261 HA LEU 35 HA LEU 35 20.080 -0.959 -14.816 262 HB2 LEU 35 HB2 LEU 35 18.707 0.018 -12.374 263 HB3 LEU 35 HB3 LEU 35 19.689 1.172 -13.273 264 HG LEU 35 HG LEU 35 18.318 0.563 -15.308 265 HD11 LEU 35 HD11 LEU 35 16.389 -0.565 -13.298 266 HD12 LEU 35 HD12 LEU 35 17.467 -1.573 -14.262 267 HD13 LEU 35 HD13 LEU 35 16.260 -0.563 -15.058 268 HD21 LEU 35 HD21 LEU 35 17.523 2.562 -14.731 269 HD22 LEU 35 HD22 LEU 35 17.614 2.189 -13.009 270 HD23 LEU 35 HD23 LEU 35 16.201 1.699 -13.945 271 H GLU 36 H GLU 36 21.552 1.058 -14.469 272 HA GLU 36 HA GLU 36 23.991 0.071 -13.282 273 HB2 GLU 36 HB2 GLU 36 25.075 1.917 -14.352 274 HB3 GLU 36 HB3 GLU 36 23.913 1.249 -15.490 275 HG2 GLU 36 HG2 GLU 36 22.341 3.038 -14.926 276 HG3 GLU 36 HG3 GLU 36 23.524 3.715 -13.808 277 H GLY 37 H GLY 37 24.929 0.725 -11.429 278 HA2 GLY 37 HA2 GLY 37 25.367 2.061 -9.575 279 HA3 GLY 37 HA3 GLY 37 24.151 3.197 -10.141 280 H ALA 38 H ALA 38 24.640 2.048 -7.457 281 HA ALA 38 HA ALA 38 21.888 1.438 -6.845 282 HB1 ALA 38 HB1 ALA 38 24.041 -0.623 -6.403 283 HB2 ALA 38 HB2 ALA 38 22.456 -0.669 -5.630 284 HB3 ALA 38 HB3 ALA 38 22.585 -0.782 -7.386 285 H CYS 39 H CYS 39 21.373 1.748 -4.669 286 HA CYS 39 HA CYS 39 23.479 3.086 -3.118 287 HB2 CYS 39 HB2 CYS 39 21.389 4.363 -3.717 288 HB3 CYS 39 HB3 CYS 39 20.493 3.252 -2.688 289 HG CYS 39 HG CYS 39 20.942 4.458 -0.465 290 H GLU 40 H GLU 40 23.707 2.664 -0.885 291 HA GLU 40 HA GLU 40 22.330 0.305 0.164 292 HB2 GLU 40 HB2 GLU 40 25.304 0.608 -0.164 293 HB3 GLU 40 HB3 GLU 40 24.626 -0.443 1.071 294 HG2 GLU 40 HG2 GLU 40 23.846 -1.959 -0.444 295 HG3 GLU 40 HG3 GLU 40 23.667 -0.758 -1.721 296 H GLY 41 H GLY 41 22.252 0.184 2.431 297 HA2 GLY 41 HA2 GLY 41 22.269 0.979 4.590 298 HA3 GLY 41 HA3 GLY 41 23.616 2.010 4.131 299 H SER 42 H SER 42 20.685 2.143 5.437 300 HA SER 42 HA SER 42 20.375 4.923 5.038 301 HB2 SER 42 HB2 SER 42 18.770 3.097 3.314 302 HB3 SER 42 HB3 SER 42 17.955 4.505 3.994 303 HG SER 42 HG SER 42 19.403 4.483 1.862 304 H LEU 43 H LEU 43 18.422 5.771 6.130 305 HA LEU 43 HA LEU 43 16.876 4.008 7.781 306 HB2 LEU 43 HB2 LEU 43 19.248 4.406 8.850 307 HB3 LEU 43 HB3 LEU 43 18.526 5.937 9.342 308 HG LEU 43 HG LEU 43 17.089 3.401 9.972 309 HD11 LEU 43 HD11 LEU 43 18.363 2.952 11.889 310 HD12 LEU 43 HD12 LEU 43 19.254 4.468 11.758 311 HD13 LEU 43 HD13 LEU 43 19.545 3.172 10.598 312 HD21 LEU 43 HD21 LEU 43 16.734 6.118 10.512 313 HD22 LEU 43 HD22 LEU 43 17.270 5.403 12.033 314 HD23 LEU 43 HD23 LEU 43 15.847 4.763 11.210 315 H ALA 44 H ALA 44 15.052 4.986 8.579 316 HA ALA 44 HA ALA 44 14.712 7.827 7.873 317 HB1 ALA 44 HB1 ALA 44 12.414 7.415 7.450 318 HB2 ALA 44 HB2 ALA 44 13.319 6.143 6.628 319 HB3 ALA 44 HB3 ALA 44 12.505 5.800 8.155 320 H CYS 45 H CYS 45 15.180 8.871 9.746 321 HA CYS 45 HA CYS 45 13.512 8.195 12.076 322 HB2 CYS 45 HB2 CYS 45 15.437 9.048 13.487 323 HB3 CYS 45 HB3 CYS 45 15.702 7.503 12.689 324 HG CYS 45 HG CYS 45 17.772 9.830 12.747 325 H SER 46 H SER 46 12.450 9.930 10.409 326 HA SER 46 HA SER 46 12.461 12.393 11.905 327 HB2 SER 46 HB2 SER 46 13.052 13.870 10.101 328 HB3 SER 46 HB3 SER 46 14.336 12.671 10.248 329 HG SER 46 HG SER 46 12.942 11.519 8.569 330 H THR 47 H THR 47 10.947 14.031 10.611 331 HA THR 47 HA THR 47 8.392 12.915 10.600 332 HB THR 47 HB THR 47 7.833 15.072 9.221 333 HG1 THR 47 HG1 THR 47 9.452 16.605 9.261 334 HG21 THR 47 HG21 THR 47 7.206 15.804 11.231 335 HG22 THR 47 HG22 THR 47 8.883 16.088 11.698 336 HG23 THR 47 HG23 THR 47 8.153 14.503 11.953 337 H CYS 48 H CYS 48 6.848 12.912 8.756 338 HA CYS 48 HA CYS 48 7.926 11.349 6.604 339 HB2 CYS 48 HB2 CYS 48 5.581 11.222 5.832 340 HB3 CYS 48 HB3 CYS 48 5.745 10.792 7.530 341 HG CYS 48 HG CYS 48 4.702 13.139 8.521 342 H HIS 49 H HIS 49 8.108 11.879 4.456 343 HA HIS 49 HA HIS 49 7.970 14.753 3.852 344 HB2 HIS 49 HB2 HIS 49 9.467 12.663 2.273 345 HB3 HIS 49 HB3 HIS 49 9.663 14.412 2.211 346 HD1 HIS 49 HD1 HIS 49 11.958 12.314 2.843 347 HD2 HIS 49 HD2 HIS 49 9.887 14.601 5.625 348 HE1 HIS 49 HE1 HIS 49 13.468 12.463 4.849 349 H VAL 50 H VAL 50 7.521 15.242 1.490 350 HA VAL 50 HA VAL 50 5.574 13.377 0.328 351 HB VAL 50 HB VAL 50 4.159 15.403 -0.276 352 HG11 VAL 50 HG11 VAL 50 4.428 14.239 2.459 353 HG12 VAL 50 HG12 VAL 50 3.248 15.519 2.170 354 HG13 VAL 50 HG13 VAL 50 3.156 14.011 1.260 355 HG21 VAL 50 HG21 VAL 50 5.026 16.862 2.089 356 HG22 VAL 50 HG22 VAL 50 6.258 16.804 0.828 357 HG23 VAL 50 HG23 VAL 50 4.658 17.451 0.468 358 H ILE 51 H ILE 51 5.258 13.594 -1.928 359 HA ILE 51 HA ILE 51 7.049 15.418 -3.351 360 HB ILE 51 HB ILE 51 8.479 13.604 -3.416 361 HG12 ILE 51 HG12 ILE 51 6.678 13.057 -5.784 362 HG13 ILE 51 HG13 ILE 51 7.843 14.375 -5.707 363 HG21 ILE 51 HG21 ILE 51 7.049 12.032 -2.245 364 HG22 ILE 51 HG22 ILE 51 6.083 11.797 -3.701 365 HG23 ILE 51 HG23 ILE 51 7.764 11.266 -3.664 366 HD11 ILE 51 HD11 ILE 51 9.268 12.960 -6.649 367 HD12 ILE 51 HD12 ILE 51 9.349 12.163 -5.078 368 HD13 ILE 51 HD13 ILE 51 8.239 11.569 -6.312 369 H ILE 52 H ILE 52 5.729 16.526 -4.630 370 HA ILE 52 HA ILE 52 3.728 15.038 -6.194 371 HB ILE 52 HB ILE 52 2.463 17.354 -6.079 372 HG12 ILE 52 HG12 ILE 52 2.648 18.369 -3.844 373 HG13 ILE 52 HG13 ILE 52 3.958 17.262 -3.448 374 HG21 ILE 52 HG21 ILE 52 2.424 15.008 -4.256 375 HG22 ILE 52 HG22 ILE 52 1.410 16.393 -3.854 376 HG23 ILE 52 HG23 ILE 52 1.207 15.572 -5.401 377 HD11 ILE 52 HD11 ILE 52 5.478 18.446 -4.600 378 HD12 ILE 52 HD12 ILE 52 4.339 18.872 -5.878 379 HD13 ILE 52 HD13 ILE 52 4.326 19.758 -4.354 380 H ASP 53 H ASP 53 3.065 16.145 -8.188 381 HA ASP 53 HA ASP 53 5.175 16.816 -9.825 382 HB2 ASP 53 HB2 ASP 53 3.293 18.004 -11.213 383 HB3 ASP 53 HB3 ASP 53 3.255 16.257 -10.991 384 HA PRO 54 HA PRO 54 6.288 20.994 -9.094 385 HB2 PRO 54 HB2 PRO 54 6.722 21.933 -11.604 386 HB3 PRO 54 HB3 PRO 54 7.808 20.790 -10.805 387 HG2 PRO 54 HG2 PRO 54 5.661 20.267 -12.825 388 HG3 PRO 54 HG3 PRO 54 7.295 19.586 -12.727 389 HD2 PRO 54 HD2 PRO 54 5.102 18.238 -11.886 390 HD3 PRO 54 HD3 PRO 54 6.693 18.045 -11.122 391 H SER 55 H SER 55 3.448 20.243 -10.800 392 HA SER 55 HA SER 55 2.609 22.958 -11.289 393 HB2 SER 55 HB2 SER 55 0.794 20.554 -11.297 394 HB3 SER 55 HB3 SER 55 0.659 22.037 -12.240 395 HG SER 55 HG SER 55 1.520 20.021 -13.287 396 H TRP 56 H TRP 56 2.098 20.499 -8.841 397 HA TRP 56 HA TRP 56 0.155 22.164 -7.443 398 HB2 TRP 56 HB2 TRP 56 1.169 19.357 -7.042 399 HB3 TRP 56 HB3 TRP 56 0.221 20.175 -5.803 400 HD1 TRP 56 HD1 TRP 56 -1.757 21.626 -8.008 401 HE1 TRP 56 HE1 TRP 56 -3.607 20.178 -9.058 402 HE3 TRP 56 HE3 TRP 56 0.205 16.998 -7.074 403 HZ2 TRP 56 HZ2 TRP 56 -4.162 17.436 -9.440 404 HZ3 TRP 56 HZ3 TRP 56 -1.048 15.015 -7.814 405 HH2 TRP 56 HH2 TRP 56 -3.187 15.231 -8.972 406 H TYR 57 H TYR 57 3.507 21.366 -7.364 407 HA TYR 57 HA TYR 57 4.195 21.755 -4.720 408 HB2 TYR 57 HB2 TYR 57 5.835 21.035 -6.341 409 HB3 TYR 57 HB3 TYR 57 5.700 22.555 -7.218 410 HD1 TYR 57 HD2 TYR 57 6.918 20.989 -4.105 411 HD2 TYR 57 HD1 TYR 57 6.909 24.488 -6.525 412 HE1 TYR 57 HE2 TYR 57 8.744 21.925 -2.749 413 HE2 TYR 57 HE1 TYR 57 8.736 25.433 -5.177 414 HH TYR 57 HH TYR 57 10.053 25.160 -3.410 415 H ASP 58 H ASP 58 3.912 24.219 -7.270 416 HA ASP 58 HA ASP 58 4.562 26.434 -5.681 417 HB2 ASP 58 HB2 ASP 58 4.245 26.206 -8.271 418 HB3 ASP 58 HB3 ASP 58 2.578 26.655 -7.918 419 H ILE 59 H ILE 59 1.625 24.607 -5.994 420 HA ILE 59 HA ILE 59 -0.072 26.586 -4.793 421 HB ILE 59 HB ILE 59 -0.537 23.629 -5.200 422 HG12 ILE 59 HG12 ILE 59 -0.211 24.830 -7.308 423 HG13 ILE 59 HG13 ILE 59 -1.894 24.347 -7.127 424 HG21 ILE 59 HG21 ILE 59 -2.012 24.340 -3.498 425 HG22 ILE 59 HG22 ILE 59 -2.361 25.854 -4.330 426 HG23 ILE 59 HG23 ILE 59 -2.958 24.330 -4.986 427 HD11 ILE 59 HD11 ILE 59 -0.743 27.092 -6.704 428 HD12 ILE 59 HD12 ILE 59 -1.806 26.566 -8.010 429 HD13 ILE 59 HD13 ILE 59 -2.411 26.641 -6.355 430 H VAL 60 H VAL 60 1.276 23.477 -3.693 431 HA VAL 60 HA VAL 60 0.319 23.678 -1.045 432 HB VAL 60 HB VAL 60 2.004 21.937 -0.507 433 HG11 VAL 60 HG11 VAL 60 -0.225 21.757 -2.180 434 HG12 VAL 60 HG12 VAL 60 1.013 20.756 -2.939 435 HG13 VAL 60 HG13 VAL 60 0.535 20.453 -1.269 436 HG21 VAL 60 HG21 VAL 60 3.352 21.003 -2.358 437 HG22 VAL 60 HG22 VAL 60 2.843 22.351 -3.375 438 HG23 VAL 60 HG23 VAL 60 3.816 22.651 -1.935 439 H GLU 61 H GLU 61 3.065 25.040 -2.656 440 HA GLU 61 HA GLU 61 4.561 25.611 -0.275 441 HB2 GLU 61 HB2 GLU 61 5.792 25.378 -2.311 442 HB3 GLU 61 HB3 GLU 61 4.793 26.575 -3.124 443 HG2 GLU 61 HG2 GLU 61 6.941 27.518 -2.592 444 HG3 GLU 61 HG3 GLU 61 5.686 28.311 -1.642 445 H GLN 62 H GLN 62 2.195 27.286 -2.238 446 HA GLN 62 HA GLN 62 2.554 29.775 -0.785 447 HB2 GLN 62 HB2 GLN 62 0.929 30.705 -2.297 448 HB3 GLN 62 HB3 GLN 62 2.078 29.755 -3.229 449 HG2 GLN 62 HG2 GLN 62 0.518 27.973 -3.479 450 HG3 GLN 62 HG3 GLN 62 -0.601 28.722 -2.341 451 HE21 GLN 62 HE21 GLN 62 0.629 28.713 -5.567 452 HE22 GLN 62 HE22 GLN 62 -0.515 29.823 -6.234 453 H HIS 63 H HIS 63 0.487 26.995 -0.771 454 HA HIS 63 HA HIS 63 -1.544 28.260 0.865 455 HB2 HIS 63 HB2 HIS 63 -2.032 26.481 -0.869 456 HB3 HIS 63 HB3 HIS 63 -1.273 25.322 0.219 457 HD1 HIS 63 HD1 HIS 63 -2.753 24.285 1.926 458 HD2 HIS 63 HD2 HIS 63 -4.389 27.757 0.337 459 HE1 HIS 63 HE1 HIS 63 -5.071 24.437 2.889 460 H ASN 64 H ASN 64 1.476 27.241 1.489 461 HA ASN 64 HA ASN 64 0.786 26.452 4.241 462 HB2 ASN 64 HB2 ASN 64 1.830 24.673 2.589 463 HB3 ASN 64 HB3 ASN 64 3.332 25.498 2.997 464 HD21 ASN 64 HD21 ASN 64 1.785 22.849 3.683 465 HD22 ASN 64 HD22 ASN 64 2.113 22.670 5.370 466 H GLU 65 H GLU 65 1.804 27.521 5.846 467 HA GLU 65 HA GLU 65 3.365 29.838 5.146 468 HB2 GLU 65 HB2 GLU 65 3.183 30.467 7.435 469 HB3 GLU 65 HB3 GLU 65 1.630 29.787 6.971 470 HG2 GLU 65 HG2 GLU 65 2.528 27.590 7.944 471 HG3 GLU 65 HG3 GLU 65 3.755 28.598 8.710 472 H ILE 66 H ILE 66 5.501 30.239 5.618 473 HA ILE 66 HA ILE 66 7.078 27.941 6.576 474 HB ILE 66 HB ILE 66 8.902 29.182 5.063 475 HG12 ILE 66 HG12 ILE 66 7.812 29.810 2.900 476 HG13 ILE 66 HG13 ILE 66 6.250 29.701 3.703 477 HG21 ILE 66 HG21 ILE 66 7.659 27.560 3.197 478 HG22 ILE 66 HG22 ILE 66 8.855 27.059 4.391 479 HG23 ILE 66 HG23 ILE 66 7.135 26.906 4.749 480 HD11 ILE 66 HD11 ILE 66 7.586 31.983 3.426 481 HD12 ILE 66 HD12 ILE 66 6.529 31.655 4.800 482 HD13 ILE 66 HD13 ILE 66 8.273 31.447 4.958 483 H SER 67 H SER 67 8.729 28.351 7.987 484 HA SER 67 HA SER 67 8.716 30.986 9.224 485 HB2 SER 67 HB2 SER 67 9.896 28.328 10.034 486 HB3 SER 67 HB3 SER 67 10.221 29.817 10.922 487 HG SER 67 HG SER 67 8.469 29.103 11.929 488 H ASP 68 H ASP 68 11.010 31.622 10.123 489 HA ASP 68 HA ASP 68 12.557 32.434 7.935 490 HB2 ASP 68 HB2 ASP 68 14.293 32.977 9.733 491 HB3 ASP 68 HB3 ASP 68 12.715 33.744 9.894 492 H GLU 69 H GLU 69 12.851 29.671 10.090 493 HA GLU 69 HA GLU 69 15.393 28.860 8.990 494 HB2 GLU 69 HB2 GLU 69 15.267 26.996 10.495 495 HB3 GLU 69 HB3 GLU 69 14.740 28.432 11.361 496 HG2 GLU 69 HG2 GLU 69 12.422 27.783 11.085 497 HG3 GLU 69 HG3 GLU 69 12.911 26.374 10.145 498 H GLU 70 H GLU 70 12.010 28.064 8.559 499 HA GLU 70 HA GLU 70 12.418 25.696 7.040 500 HB2 GLU 70 HB2 GLU 70 10.269 26.670 8.235 501 HB3 GLU 70 HB3 GLU 70 9.988 27.389 6.655 502 HG2 GLU 70 HG2 GLU 70 8.816 25.270 6.902 503 HG3 GLU 70 HG3 GLU 70 10.024 25.197 5.621 504 H ASN 71 H ASN 71 11.576 29.027 6.093 505 HA ASN 71 HA ASN 71 11.623 28.600 3.324 506 HB2 ASN 71 HB2 ASN 71 10.600 30.593 4.069 507 HB3 ASN 71 HB3 ASN 71 12.007 31.060 5.019 508 HD21 ASN 71 HD21 ASN 71 10.484 31.139 1.958 509 HD22 ASN 71 HD22 ASN 71 11.675 32.085 1.138 510 H ASP 72 H ASP 72 14.179 29.066 5.622 511 HA ASP 72 HA ASP 72 16.185 29.714 3.662 512 HB2 ASP 72 HB2 ASP 72 16.269 30.455 6.064 513 HB3 ASP 72 HB3 ASP 72 16.599 28.782 6.508 514 H MET 73 H MET 73 15.091 26.836 5.362 515 HA MET 73 HA MET 73 17.146 25.076 4.819 516 HB2 MET 73 HB2 MET 73 14.191 24.742 5.147 517 HB3 MET 73 HB3 MET 73 15.160 23.361 4.651 518 HG2 MET 73 HG2 MET 73 15.912 24.970 7.055 519 HG3 MET 73 HG3 MET 73 14.672 23.722 7.151 520 HE1 MET 73 HE1 MET 73 17.246 22.455 9.113 521 HE2 MET 73 HE2 MET 73 18.587 23.286 8.325 522 HE3 MET 73 HE3 MET 73 17.110 24.169 8.715 523 H LEU 74 H LEU 74 14.587 26.213 2.699 524 HA LEU 74 HA LEU 74 14.914 24.365 0.614 525 HB2 LEU 74 HB2 LEU 74 12.982 25.775 0.692 526 HB3 LEU 74 HB3 LEU 74 13.978 27.227 0.605 527 HG LEU 74 HG LEU 74 14.653 26.493 -1.708 528 HD11 LEU 74 HD11 LEU 74 13.075 24.915 -2.817 529 HD12 LEU 74 HD12 LEU 74 12.446 24.502 -1.222 530 HD13 LEU 74 HD13 LEU 74 14.130 24.163 -1.620 531 HD21 LEU 74 HD21 LEU 74 12.625 27.320 -2.738 532 HD22 LEU 74 HD22 LEU 74 12.967 28.234 -1.268 533 HD23 LEU 74 HD23 LEU 74 11.712 26.995 -1.264 534 H ASP 75 H ASP 75 16.292 27.628 1.005 535 HA ASP 75 HA ASP 75 17.845 27.626 -1.321 536 HB2 ASP 75 HB2 ASP 75 17.302 29.562 0.306 537 HB3 ASP 75 HB3 ASP 75 18.714 29.011 1.204 538 H LEU 76 H LEU 76 18.404 26.214 1.819 539 HA LEU 76 HA LEU 76 21.170 25.568 1.156 540 HB2 LEU 76 HB2 LEU 76 19.494 25.404 3.621 541 HB3 LEU 76 HB3 LEU 76 20.946 24.414 3.492 542 HG LEU 76 HG LEU 76 21.357 26.476 4.739 543 HD11 LEU 76 HD11 LEU 76 22.917 25.392 2.782 544 HD12 LEU 76 HD12 LEU 76 23.431 26.640 3.917 545 HD13 LEU 76 HD13 LEU 76 22.864 27.091 2.309 546 HD21 LEU 76 HD21 LEU 76 20.935 28.585 3.966 547 HD22 LEU 76 HD22 LEU 76 19.608 27.711 3.200 548 HD23 LEU 76 HD23 LEU 76 21.054 28.110 2.272 549 H ALA 77 H ALA 77 18.455 24.351 0.120 550 HA ALA 77 HA ALA 77 19.055 21.531 0.648 551 HB1 ALA 77 HB1 ALA 77 16.652 22.782 -0.679 552 HB2 ALA 77 HB2 ALA 77 16.861 21.066 -0.324 553 HB3 ALA 77 HB3 ALA 77 16.745 22.232 0.994 554 H PHE 78 H PHE 78 20.850 21.231 -0.675 555 HA PHE 78 HA PHE 78 20.495 21.712 -3.546 556 HB2 PHE 78 HB2 PHE 78 22.993 20.956 -2.015 557 HB3 PHE 78 HB3 PHE 78 22.913 21.360 -3.727 558 HD1 PHE 78 HD2 PHE 78 22.129 23.696 -4.360 559 HD2 PHE 78 HD1 PHE 78 23.306 22.615 -0.415 560 HE1 PHE 78 HE2 PHE 78 22.482 26.070 -3.818 561 HE2 PHE 78 HE1 PHE 78 23.660 24.987 0.133 562 HZ PHE 78 HZ PHE 78 23.247 26.718 -1.568 563 H GLY 79 H GLY 79 20.431 20.090 -5.022 564 HA2 GLY 79 HA2 GLY 79 20.945 17.851 -5.740 565 HA3 GLY 79 HA3 GLY 79 20.868 17.340 -4.060 566 H LEU 80 H LEU 80 18.382 18.958 -3.667 567 HA LEU 80 HA LEU 80 16.541 16.898 -4.534 568 HB2 LEU 80 HB2 LEU 80 16.610 18.058 -2.240 569 HB3 LEU 80 HB3 LEU 80 15.799 19.397 -3.050 570 HG LEU 80 HG LEU 80 13.993 17.743 -3.692 571 HD11 LEU 80 HD11 LEU 80 15.499 16.060 -1.700 572 HD12 LEU 80 HD12 LEU 80 15.148 15.674 -3.384 573 HD13 LEU 80 HD13 LEU 80 13.838 15.750 -2.205 574 HD21 LEU 80 HD21 LEU 80 14.571 18.609 -0.886 575 HD22 LEU 80 HD22 LEU 80 13.118 17.681 -1.259 576 HD23 LEU 80 HD23 LEU 80 13.390 19.244 -2.031 577 H THR 81 H THR 81 14.498 17.410 -5.576 578 HA THR 81 HA THR 81 14.889 19.285 -7.755 579 HB THR 81 HB THR 81 12.609 18.343 -8.490 580 HG1 THR 81 HG1 THR 81 12.292 17.435 -6.263 581 HG21 THR 81 HG21 THR 81 15.252 17.039 -8.449 582 HG22 THR 81 HG22 THR 81 14.203 17.436 -9.810 583 HG23 THR 81 HG23 THR 81 13.895 15.988 -8.853 584 H ASP 82 H ASP 82 12.917 20.577 -8.463 585 HA ASP 82 HA ASP 82 12.121 22.250 -6.247 586 HB2 ASP 82 HB2 ASP 82 11.514 22.443 -9.205 587 HB3 ASP 82 HB3 ASP 82 11.085 23.661 -8.008 588 H THR 83 H THR 83 10.957 19.432 -7.407 589 HA THR 83 HA THR 83 8.132 20.141 -7.034 590 HB THR 83 HB THR 83 7.523 18.209 -8.207 591 HG1 THR 83 HG1 THR 83 10.196 17.243 -7.998 592 HG21 THR 83 HG21 THR 83 10.055 18.596 -9.700 593 HG22 THR 83 HG22 THR 83 9.053 20.024 -9.440 594 HG23 THR 83 HG23 THR 83 8.388 18.619 -10.272 595 H SER 84 H SER 84 10.770 18.527 -5.544 596 HA SER 84 HA SER 84 9.036 17.038 -3.724 597 HB2 SER 84 HB2 SER 84 11.026 15.905 -4.665 598 HB3 SER 84 HB3 SER 84 12.059 17.106 -3.891 599 HG SER 84 HG SER 84 10.307 15.300 -2.576 600 H ARG 85 H ARG 85 8.373 17.930 -1.897 601 HA ARG 85 HA ARG 85 9.941 20.140 -0.752 602 HB2 ARG 85 HB2 ARG 85 7.873 20.857 0.338 603 HB3 ARG 85 HB3 ARG 85 7.656 20.739 -1.403 604 HG2 ARG 85 HG2 ARG 85 6.609 18.510 -1.059 605 HG3 ARG 85 HG3 ARG 85 6.707 18.787 0.681 606 HD2 ARG 85 HD2 ARG 85 5.114 20.315 -1.362 607 HD3 ARG 85 HD3 ARG 85 4.517 19.403 0.024 608 HE ARG 85 HE ARG 85 5.422 22.108 0.013 609 HH11 ARG 85 HH11 ARG 85 5.205 19.230 1.960 610 HH12 ARG 85 HH12 ARG 85 5.215 20.090 3.465 611 HH21 ARG 85 HH21 ARG 85 5.437 23.251 1.987 612 HH22 ARG 85 HH22 ARG 85 5.346 22.377 3.479 613 H LEU 86 H LEU 86 10.653 20.057 1.322 614 HA LEU 86 HA LEU 86 11.323 19.149 3.296 615 HB2 LEU 86 HB2 LEU 86 8.750 19.312 3.531 616 HB3 LEU 86 HB3 LEU 86 8.787 17.558 3.356 617 HG LEU 86 HG LEU 86 10.194 17.392 5.356 618 HD11 LEU 86 HD11 LEU 86 11.445 19.269 5.635 619 HD12 LEU 86 HD12 LEU 86 10.122 19.655 6.736 620 HD13 LEU 86 HD13 LEU 86 10.150 20.348 5.114 621 HD21 LEU 86 HD21 LEU 86 7.755 19.069 5.916 622 HD22 LEU 86 HD22 LEU 86 8.493 17.854 6.960 623 HD23 LEU 86 HD23 LEU 86 7.691 17.365 5.467 624 H GLY 87 H GLY 87 11.716 17.675 0.693 625 HA2 GLY 87 HA2 GLY 87 11.963 14.926 1.715 626 HA3 GLY 87 HA3 GLY 87 12.003 15.392 0.021 627 H CYS 88 H CYS 88 13.937 14.014 -0.001 628 HA CYS 88 HA CYS 88 16.304 15.637 0.373 629 HB2 CYS 88 HB2 CYS 88 17.472 13.686 1.549 630 HB3 CYS 88 HB3 CYS 88 16.361 14.651 2.513 631 HG CYS 88 HG CYS 88 16.306 11.416 1.872 632 H GLN 89 H GLN 89 14.991 12.472 -0.528 633 HA GLN 89 HA GLN 89 16.880 12.432 -2.787 634 HB2 GLN 89 HB2 GLN 89 17.114 10.689 -0.824 635 HB3 GLN 89 HB3 GLN 89 15.788 9.890 -1.657 636 HG2 GLN 89 HG2 GLN 89 17.920 8.973 -2.344 637 HG3 GLN 89 HG3 GLN 89 17.122 9.780 -3.693 638 HE21 GLN 89 HE21 GLN 89 18.617 10.653 -4.931 639 HE22 GLN 89 HE22 GLN 89 19.972 11.579 -4.391 640 H ILE 90 H ILE 90 13.913 13.202 -2.258 641 HA ILE 90 HA ILE 90 11.896 13.040 -3.317 642 HB ILE 90 HB ILE 90 13.190 12.197 -5.851 643 HG12 ILE 90 HG12 ILE 90 13.744 14.872 -4.548 644 HG13 ILE 90 HG13 ILE 90 14.925 13.587 -4.777 645 HG21 ILE 90 HG21 ILE 90 11.811 14.661 -6.019 646 HG22 ILE 90 HG22 ILE 90 11.314 13.084 -6.631 647 HG23 ILE 90 HG23 ILE 90 10.854 13.583 -5.003 648 HD11 ILE 90 HD11 ILE 90 14.986 13.895 -7.081 649 HD12 ILE 90 HD12 ILE 90 13.464 14.786 -7.096 650 HD13 ILE 90 HD13 ILE 90 14.917 15.532 -6.429 651 H ILE 91 H ILE 91 11.115 11.201 -2.227 652 HA ILE 91 HA ILE 91 11.182 8.729 -3.834 653 HB ILE 91 HB ILE 91 10.667 7.574 -1.602 654 HG12 ILE 91 HG12 ILE 91 11.885 10.132 -0.539 655 HG13 ILE 91 HG13 ILE 91 10.193 9.680 -0.367 656 HG21 ILE 91 HG21 ILE 91 12.729 6.886 -2.073 657 HG22 ILE 91 HG22 ILE 91 13.156 8.442 -2.783 658 HG23 ILE 91 HG23 ILE 91 13.319 8.192 -1.045 659 HD11 ILE 91 HD11 ILE 91 12.087 7.660 0.576 660 HD12 ILE 91 HD12 ILE 91 12.123 9.185 1.463 661 HD13 ILE 91 HD13 ILE 91 10.615 8.282 1.322 662 H LEU 92 H LEU 92 9.287 8.304 -4.732 663 HA LEU 92 HA LEU 92 6.918 9.641 -4.330 664 HB2 LEU 92 HB2 LEU 92 7.291 6.784 -5.214 665 HB3 LEU 92 HB3 LEU 92 5.812 7.721 -5.414 666 HG LEU 92 HG LEU 92 8.279 8.858 -6.592 667 HD11 LEU 92 HD11 LEU 92 7.813 6.189 -7.032 668 HD12 LEU 92 HD12 LEU 92 8.698 7.274 -8.104 669 HD13 LEU 92 HD13 LEU 92 6.985 6.962 -8.384 670 HD21 LEU 92 HD21 LEU 92 5.970 9.865 -6.690 671 HD22 LEU 92 HD22 LEU 92 5.518 8.524 -7.743 672 HD23 LEU 92 HD23 LEU 92 6.778 9.653 -8.243 673 H THR 93 H THR 93 4.817 8.642 -3.553 674 HA THR 93 HA THR 93 5.026 6.802 -1.334 675 HB THR 93 HB THR 93 5.520 8.595 0.040 676 HG1 THR 93 HG1 THR 93 3.620 7.665 0.838 677 HG21 THR 93 HG21 THR 93 4.566 10.846 -0.198 678 HG22 THR 93 HG22 THR 93 3.633 10.300 -1.591 679 HG23 THR 93 HG23 THR 93 5.395 10.336 -1.668 680 H LYS 94 H LYS 94 2.913 6.243 -0.432 681 HA LYS 94 HA LYS 94 0.989 5.786 -2.412 682 HB2 LYS 94 HB2 LYS 94 0.789 4.272 -0.701 683 HB3 LYS 94 HB3 LYS 94 1.106 5.473 0.544 684 HG2 LYS 94 HG2 LYS 94 -1.107 6.263 0.495 685 HG3 LYS 94 HG3 LYS 94 -1.452 5.437 -1.026 686 HD2 LYS 94 HD2 LYS 94 -1.600 3.356 -0.009 687 HD3 LYS 94 HD3 LYS 94 -0.660 3.865 1.395 688 HE2 LYS 94 HE2 LYS 94 -2.656 4.018 2.409 689 HE3 LYS 94 HE3 LYS 94 -2.797 5.543 1.536 690 HZ1 LYS 94 HZ1 LYS 94 -4.584 4.718 0.554 691 HZ2 LYS 94 HZ2 LYS 94 -4.359 3.206 1.277 692 HZ3 LYS 94 HZ3 LYS 94 -3.621 3.553 -0.206 693 H GLU 95 H GLU 95 1.586 8.551 -0.499 694 HA GLU 95 HA GLU 95 -0.922 9.685 -0.191 695 HB2 GLU 95 HB2 GLU 95 1.830 10.800 -0.518 696 HB3 GLU 95 HB3 GLU 95 0.462 11.902 -0.573 697 HG2 GLU 95 HG2 GLU 95 0.712 9.963 1.679 698 HG3 GLU 95 HG3 GLU 95 1.675 11.439 1.673 699 H LEU 96 H LEU 96 0.948 9.227 -3.060 700 HA LEU 96 HA LEU 96 -0.721 11.061 -4.602 701 HB2 LEU 96 HB2 LEU 96 1.635 9.377 -5.437 702 HB3 LEU 96 HB3 LEU 96 0.795 10.540 -6.460 703 HG LEU 96 HG LEU 96 1.502 12.152 -4.427 704 HD11 LEU 96 HD11 LEU 96 2.656 10.201 -3.325 705 HD12 LEU 96 HD12 LEU 96 3.645 11.640 -3.571 706 HD13 LEU 96 HD13 LEU 96 3.823 10.253 -4.646 707 HD21 LEU 96 HD21 LEU 96 2.734 13.163 -6.005 708 HD22 LEU 96 HD22 LEU 96 2.110 11.899 -7.066 709 HD23 LEU 96 HD23 LEU 96 3.699 11.720 -6.320 710 H ASP 97 H ASP 97 -1.604 8.426 -3.409 711 HA ASP 97 HA ASP 97 -1.998 6.532 -5.442 712 HB2 ASP 97 HB2 ASP 97 -2.394 5.722 -3.291 713 HB3 ASP 97 HB3 ASP 97 -3.376 7.114 -2.842 714 H GLY 98 H GLY 98 -3.105 6.723 -7.267 715 HA2 GLY 98 HA2 GLY 98 -4.901 7.144 -8.664 716 HA3 GLY 98 HA3 GLY 98 -5.770 7.806 -7.288 717 H LEU 99 H LEU 99 -2.728 9.200 -7.566 718 HA LEU 99 HA LEU 99 -3.890 11.543 -8.918 719 HB2 LEU 99 HB2 LEU 99 -1.972 11.247 -6.656 720 HB3 LEU 99 HB3 LEU 99 -1.856 12.667 -7.693 721 HG LEU 99 HG LEU 99 -3.138 13.144 -5.679 722 HD11 LEU 99 HD11 LEU 99 -5.439 13.415 -7.219 723 HD12 LEU 99 HD12 LEU 99 -4.110 13.453 -8.378 724 HD13 LEU 99 HD13 LEU 99 -4.139 14.592 -7.032 725 HD21 LEU 99 HD21 LEU 99 -5.131 12.033 -5.095 726 HD22 LEU 99 HD22 LEU 99 -3.967 10.757 -5.451 727 HD23 LEU 99 HD23 LEU 99 -5.203 11.180 -6.638 728 H CYS 100 H CYS 100 -2.610 12.716 -10.392 729 HA CYS 100 HA CYS 100 -0.491 11.105 -11.628 730 HB2 CYS 100 HB2 CYS 100 -0.886 12.509 -13.636 731 HB3 CYS 100 HB3 CYS 100 -2.325 11.639 -13.120 732 HG CYS 100 HG CYS 100 -1.702 14.960 -12.570 733 H VAL 101 H VAL 101 1.562 11.767 -11.630 734 HA VAL 101 HA VAL 101 2.195 14.589 -11.254 735 HB VAL 101 HB VAL 101 3.834 14.107 -9.476 736 HG11 VAL 101 HG11 VAL 101 1.213 13.090 -8.468 737 HG12 VAL 101 HG12 VAL 101 2.318 14.259 -7.744 738 HG13 VAL 101 HG13 VAL 101 1.324 14.722 -9.125 739 HG21 VAL 101 HG21 VAL 101 2.531 11.424 -9.137 740 HG22 VAL 101 HG22 VAL 101 3.974 11.636 -10.130 741 HG23 VAL 101 HG23 VAL 101 4.020 12.029 -8.411 742 H ILE 102 H ILE 102 4.606 14.954 -11.453 743 HA ILE 102 HA ILE 102 5.550 13.473 -13.757 744 HB ILE 102 HB ILE 102 6.777 15.833 -12.325 745 HG12 ILE 102 HG12 ILE 102 4.601 16.327 -13.377 746 HG13 ILE 102 HG13 ILE 102 5.922 17.152 -14.196 747 HG21 ILE 102 HG21 ILE 102 7.913 15.974 -14.690 748 HG22 ILE 102 HG22 ILE 102 8.587 14.956 -13.419 749 HG23 ILE 102 HG23 ILE 102 7.607 14.238 -14.697 750 HD11 ILE 102 HD11 ILE 102 4.429 16.303 -15.842 751 HD12 ILE 102 HD12 ILE 102 5.902 15.334 -15.896 752 HD13 ILE 102 HD13 ILE 102 4.455 14.696 -15.116 753 H LEU 103 H LEU 103 7.452 12.300 -13.883 754 HA LEU 103 HA LEU 103 8.201 10.827 -11.608 755 HB2 LEU 103 HB2 LEU 103 9.685 11.177 -14.208 756 HB3 LEU 103 HB3 LEU 103 9.986 9.916 -13.013 757 HG LEU 103 HG LEU 103 7.343 9.531 -13.562 758 HD11 LEU 103 HD11 LEU 103 7.696 9.450 -16.238 759 HD12 LEU 103 HD12 LEU 103 8.564 10.932 -15.839 760 HD13 LEU 103 HD13 LEU 103 6.869 10.754 -15.386 761 HD21 LEU 103 HD21 LEU 103 8.192 7.680 -15.051 762 HD22 LEU 103 HD22 LEU 103 8.880 7.735 -13.428 763 HD23 LEU 103 HD23 LEU 103 9.810 8.335 -14.802 764 HA PRO 104 HA PRO 104 11.271 13.274 -9.643 765 HB2 PRO 104 HB2 PRO 104 12.941 11.353 -8.700 766 HB3 PRO 104 HB3 PRO 104 11.342 11.657 -8.012 767 HG2 PRO 104 HG2 PRO 104 12.197 9.548 -9.957 768 HG3 PRO 104 HG3 PRO 104 11.131 9.404 -8.547 769 HD2 PRO 104 HD2 PRO 104 10.184 9.592 -11.077 770 HD3 PRO 104 HD3 PRO 104 9.311 10.252 -9.679 771 H THR 105 H THR 105 12.656 10.612 -11.571 772 HA THR 105 HA THR 105 14.425 12.498 -12.900 773 HB THR 105 HB THR 105 15.742 10.046 -11.807 774 HG1 THR 105 HG1 THR 105 15.323 10.798 -9.859 775 HG21 THR 105 HG21 THR 105 16.987 12.748 -12.037 776 HG22 THR 105 HG22 THR 105 16.661 11.833 -13.510 777 HG23 THR 105 HG23 THR 105 17.706 11.154 -12.262 778 H GLU 106 H GLU 106 14.536 12.027 -14.996 779 HA GLU 106 HA GLU 106 13.451 9.500 -15.934 780 HB2 GLU 106 HB2 GLU 106 14.449 11.834 -17.571 781 HB3 GLU 106 HB3 GLU 106 13.438 10.507 -18.125 782 HG2 GLU 106 HG2 GLU 106 11.598 11.267 -16.803 783 HG3 GLU 106 HG3 GLU 106 12.602 12.489 -16.023 784 H THR 107 H THR 107 14.960 7.926 -15.614 785 HA THR 107 HA THR 107 17.369 8.106 -17.268 786 HB THR 107 HB THR 107 18.488 6.786 -15.256 787 HG1 THR 107 HG1 THR 107 17.767 7.584 -13.267 788 HG21 THR 107 HG21 THR 107 19.713 8.609 -15.834 789 HG22 THR 107 HG22 THR 107 19.024 9.255 -14.345 790 HG23 THR 107 HG23 THR 107 18.304 9.667 -15.901 791 H ARG 108 H ARG 108 16.970 6.526 -18.693 792 HA ARG 108 HA ARG 108 16.467 4.489 -19.578 793 HB2 ARG 108 HB2 ARG 108 18.491 4.011 -18.090 794 HB3 ARG 108 HB3 ARG 108 17.348 3.336 -16.938 795 HG2 ARG 108 HG2 ARG 108 17.971 1.451 -18.058 796 HG3 ARG 108 HG3 ARG 108 16.569 1.935 -19.014 797 HD2 ARG 108 HD2 ARG 108 19.292 2.924 -19.748 798 HD3 ARG 108 HD3 ARG 108 18.800 1.292 -20.199 799 HE ARG 108 HE ARG 108 16.752 2.921 -21.026 800 HH11 ARG 108 HH11 ARG 108 20.172 2.687 -21.637 801 HH12 ARG 108 HH12 ARG 108 20.060 3.315 -23.247 802 HH21 ARG 108 HH21 ARG 108 16.592 3.750 -23.145 803 HH22 ARG 108 HH22 ARG 108 18.023 3.920 -24.104 804 H ASN 109 H ASN 109 14.288 5.809 -18.411 805 HA ASN 109 HA ASN 109 12.729 3.552 -17.334 806 HB2 ASN 109 HB2 ASN 109 13.025 5.406 -15.714 807 HB3 ASN 109 HB3 ASN 109 12.257 6.503 -16.858 808 HD21 ASN 109 HD21 ASN 109 11.678 3.399 -15.246 809 HD22 ASN 109 HD22 ASN 109 9.996 3.669 -14.957 810 H ILE 110 H ILE 110 12.488 3.066 -19.686 811 HA ILE 110 HA ILE 110 10.476 4.776 -20.979 812 HB ILE 110 HB ILE 110 12.180 2.616 -22.224 813 HG12 ILE 110 HG12 ILE 110 12.426 5.611 -22.540 814 HG13 ILE 110 HG13 ILE 110 13.413 4.668 -21.429 815 HG21 ILE 110 HG21 ILE 110 9.897 4.178 -23.158 816 HG22 ILE 110 HG22 ILE 110 11.292 4.247 -24.233 817 HG23 ILE 110 HG23 ILE 110 10.591 2.689 -23.798 818 HD11 ILE 110 HD11 ILE 110 13.532 4.876 -24.368 819 HD12 ILE 110 HD12 ILE 110 14.826 4.689 -23.183 820 HD13 ILE 110 HD13 ILE 110 13.865 3.292 -23.668 821 H SER 111 H SER 111 11.260 1.295 -20.964 822 HA SER 111 HA SER 111 8.652 0.577 -20.014 823 HB2 SER 111 HB2 SER 111 8.114 -0.779 -22.104 824 HB3 SER 111 HB3 SER 111 7.930 0.969 -22.247 825 HG SER 111 HG SER 111 9.560 -0.697 -23.613 826 H PHE 112 H PHE 112 8.377 -1.821 -19.949 827 HA PHE 112 HA PHE 112 10.806 -3.386 -20.213 828 HB2 PHE 112 HB2 PHE 112 9.455 -3.028 -17.529 829 HB3 PHE 112 HB3 PHE 112 10.766 -4.152 -17.872 830 HD1 PHE 112 HD2 PHE 112 13.030 -3.350 -18.237 831 HD2 PHE 112 HD1 PHE 112 9.858 -0.670 -17.301 832 HE1 PHE 112 HE2 PHE 112 14.673 -1.598 -17.700 833 HE2 PHE 112 HE1 PHE 112 11.495 1.086 -16.763 834 HZ PHE 112 HZ PHE 112 13.906 0.623 -16.963 835 H VAL 113 H VAL 113 10.448 -5.659 -20.069 836 HA VAL 113 HA VAL 113 7.608 -6.436 -20.220 837 HB VAL 113 HB VAL 113 8.375 -8.239 -21.825 838 HG11 VAL 113 HG11 VAL 113 8.892 -6.105 -23.551 839 HG12 VAL 113 HG12 VAL 113 7.328 -6.844 -23.205 840 HG13 VAL 113 HG13 VAL 113 7.865 -5.441 -22.281 841 HG21 VAL 113 HG21 VAL 113 10.886 -7.403 -21.135 842 HG22 VAL 113 HG22 VAL 113 10.492 -8.381 -22.549 843 HG23 VAL 113 HG23 VAL 113 10.654 -6.631 -22.704 844 H LYS 114 H LYS 114 8.877 -6.542 -17.814 845 HA LYS 114 HA LYS 114 9.366 -9.426 -17.454 846 HB2 LYS 114 HB2 LYS 114 10.649 -7.072 -16.075 847 HB3 LYS 114 HB3 LYS 114 10.711 -8.700 -15.412 848 HG2 LYS 114 HG2 LYS 114 11.696 -9.380 -17.675 849 HG3 LYS 114 HG3 LYS 114 11.949 -7.652 -17.930 850 HD2 LYS 114 HD2 LYS 114 13.425 -7.491 -16.107 851 HD3 LYS 114 HD3 LYS 114 12.917 -9.049 -15.452 852 HE2 LYS 114 HE2 LYS 114 15.046 -9.391 -16.432 853 HE3 LYS 114 HE3 LYS 114 13.868 -10.104 -17.533 854 HZ1 LYS 114 HZ1 LYS 114 15.800 -8.313 -18.207 855 HZ2 LYS 114 HZ2 LYS 114 14.410 -7.355 -18.122 856 HZ3 LYS 114 HZ3 LYS 114 14.445 -8.703 -19.143 857 H ASN 115 H ASN 115 9.100 -9.921 -14.946 858 HA ASN 115 HA ASN 115 7.601 -10.271 -13.272 859 HB2 ASN 115 HB2 ASN 115 8.215 -8.028 -12.591 860 HB3 ASN 115 HB3 ASN 115 7.082 -7.329 -13.744 861 HD21 ASN 115 HD21 ASN 115 7.156 -9.601 -11.024 862 HD22 ASN 115 HD22 ASN 115 5.658 -9.088 -10.334 863 H SER 116 H SER 116 6.256 -11.713 -14.343 864 HA SER 116 HA SER 116 3.945 -10.633 -15.774 865 HB2 SER 116 HB2 SER 116 5.436 -12.611 -16.588 866 HB3 SER 116 HB3 SER 116 4.503 -13.565 -15.435 867 HG SER 116 HG SER 116 3.812 -12.912 -17.875 Start of MODEL 7 1 H1 MET 1 H MET 1 -1.940 -0.759 -0.052 2 HA MET 1 HA MET 1 0.394 0.459 -1.268 3 HB2 MET 1 HB2 MET 1 -0.944 -2.191 -1.839 4 HB3 MET 1 HB3 MET 1 0.611 -1.668 -2.473 5 HG2 MET 1 HG2 MET 1 1.506 -1.591 -0.197 6 HG3 MET 1 HG3 MET 1 -0.050 -2.136 0.425 7 HE1 MET 1 HE1 MET 1 0.117 -5.228 1.034 8 HE2 MET 1 HE2 MET 1 -1.016 -4.063 0.350 9 HE3 MET 1 HE3 MET 1 -0.600 -5.522 -0.551 10 HA PRO 2 HA PRO 2 -2.951 1.871 -4.196 11 HB2 PRO 2 HB2 PRO 2 -2.088 4.441 -4.337 12 HB3 PRO 2 HB3 PRO 2 -3.215 3.873 -3.100 13 HG2 PRO 2 HG2 PRO 2 -0.259 4.311 -2.914 14 HG3 PRO 2 HG3 PRO 2 -1.528 4.732 -1.749 15 HD2 PRO 2 HD2 PRO 2 0.036 2.540 -1.470 16 HD3 PRO 2 HD3 PRO 2 -1.650 2.587 -0.915 17 H LEU 3 H LEU 3 -2.336 3.553 -6.156 18 HA LEU 3 HA LEU 3 0.200 2.600 -7.306 19 HB2 LEU 3 HB2 LEU 3 -1.304 1.301 -8.477 20 HB3 LEU 3 HB3 LEU 3 -2.552 2.546 -8.457 21 HG LEU 3 HG LEU 3 -1.189 3.825 -10.119 22 HD11 LEU 3 HD11 LEU 3 0.840 2.165 -9.411 23 HD12 LEU 3 HD12 LEU 3 0.793 3.121 -10.892 24 HD13 LEU 3 HD13 LEU 3 0.297 1.429 -10.920 25 HD21 LEU 3 HD21 LEU 3 -1.736 1.145 -11.295 26 HD22 LEU 3 HD22 LEU 3 -2.158 2.749 -11.893 27 HD23 LEU 3 HD23 LEU 3 -3.068 2.037 -10.559 28 H ILE 4 H ILE 4 1.271 4.020 -8.692 29 HA ILE 4 HA ILE 4 0.234 6.780 -8.685 30 HB ILE 4 HB ILE 4 3.137 5.950 -8.665 31 HG12 ILE 4 HG12 ILE 4 2.207 5.422 -6.517 32 HG13 ILE 4 HG13 ILE 4 3.105 6.927 -6.347 33 HG21 ILE 4 HG21 ILE 4 1.795 8.642 -8.493 34 HG22 ILE 4 HG22 ILE 4 3.508 8.363 -8.183 35 HG23 ILE 4 HG23 ILE 4 2.839 8.049 -9.785 36 HD11 ILE 4 HD11 ILE 4 0.720 7.963 -6.839 37 HD12 ILE 4 HD12 ILE 4 0.198 6.418 -6.167 38 HD13 ILE 4 HD13 ILE 4 1.227 7.490 -5.218 39 H THR 5 H THR 5 0.324 7.950 -10.555 40 HA THR 5 HA THR 5 1.044 6.443 -12.973 41 HB THR 5 HB THR 5 -0.748 8.860 -12.666 42 HG1 THR 5 HG1 THR 5 -2.276 7.423 -12.430 43 HG21 THR 5 HG21 THR 5 0.607 7.824 -14.960 44 HG22 THR 5 HG22 THR 5 -0.514 9.182 -14.857 45 HG23 THR 5 HG23 THR 5 -1.125 7.554 -15.146 46 H PHE 6 H PHE 6 2.728 7.045 -14.172 47 HA PHE 6 HA PHE 6 3.992 9.634 -13.581 48 HB2 PHE 6 HB2 PHE 6 5.045 6.945 -14.240 49 HB3 PHE 6 HB3 PHE 6 5.903 8.308 -14.952 50 HD1 PHE 6 HD1 PHE 6 4.212 8.458 -11.693 51 HD2 PHE 6 HD2 PHE 6 7.925 8.013 -13.727 52 HE1 PHE 6 HE1 PHE 6 5.411 8.805 -9.573 53 HE2 PHE 6 HE2 PHE 6 9.130 8.359 -11.609 54 HZ PHE 6 HZ PHE 6 7.873 8.757 -9.529 55 H ILE 7 H ILE 7 4.391 11.088 -15.176 56 HA ILE 7 HA ILE 7 3.430 10.386 -17.872 57 HB ILE 7 HB ILE 7 3.487 13.155 -16.676 58 HG12 ILE 7 HG12 ILE 7 0.871 12.636 -16.835 59 HG13 ILE 7 HG13 ILE 7 1.442 10.993 -16.562 60 HG21 ILE 7 HG21 ILE 7 3.091 13.812 -18.757 61 HG22 ILE 7 HG22 ILE 7 3.066 12.139 -19.314 62 HG23 ILE 7 HG23 ILE 7 1.584 12.897 -18.733 63 HD11 ILE 7 HD11 ILE 7 0.816 12.713 -14.601 64 HD12 ILE 7 HD12 ILE 7 1.984 11.403 -14.422 65 HD13 ILE 7 HD13 ILE 7 2.541 13.041 -14.762 66 H SER 8 H SER 8 4.873 10.446 -19.459 67 HA SER 8 HA SER 8 7.511 11.574 -18.928 68 HB2 SER 8 HB2 SER 8 8.319 9.989 -20.321 69 HB3 SER 8 HB3 SER 8 6.725 9.249 -20.164 70 HG SER 8 HG SER 8 7.627 9.740 -22.373 71 HA PRO 9 HA PRO 9 7.118 15.118 -21.482 72 HB2 PRO 9 HB2 PRO 9 9.528 15.214 -22.729 73 HB3 PRO 9 HB3 PRO 9 9.319 15.584 -21.013 74 HG2 PRO 9 HG2 PRO 9 10.265 13.055 -22.304 75 HG3 PRO 9 HG3 PRO 9 10.901 13.885 -20.872 76 HD2 PRO 9 HD2 PRO 9 9.279 11.724 -20.703 77 HD3 PRO 9 HD3 PRO 9 9.268 13.023 -19.493 78 H ASP 10 H ASP 10 7.461 12.039 -22.854 79 HA ASP 10 HA ASP 10 7.161 13.028 -25.595 80 HB2 ASP 10 HB2 ASP 10 7.718 10.278 -24.477 81 HB3 ASP 10 HB3 ASP 10 7.394 10.577 -26.183 82 H GLY 11 H GLY 11 5.117 12.820 -23.242 83 HA2 GLY 11 HA2 GLY 11 2.796 12.773 -23.314 84 HA3 GLY 11 HA3 GLY 11 2.889 12.157 -24.958 85 H SER 12 H SER 12 4.905 10.234 -23.279 86 HA SER 12 HA SER 12 2.985 8.084 -23.200 87 HB2 SER 12 HB2 SER 12 5.523 8.020 -23.880 88 HB3 SER 12 HB3 SER 12 5.778 7.815 -22.147 89 HG SER 12 HG SER 12 4.464 6.124 -23.969 90 H ARG 13 H ARG 13 2.888 6.617 -21.286 91 HA ARG 13 HA ARG 13 3.345 7.899 -18.713 92 HB2 ARG 13 HB2 ARG 13 1.043 7.593 -17.966 93 HB3 ARG 13 HB3 ARG 13 1.103 8.659 -19.363 94 HG2 ARG 13 HG2 ARG 13 0.748 5.894 -20.138 95 HG3 ARG 13 HG3 ARG 13 -0.518 6.444 -19.038 96 HD2 ARG 13 HD2 ARG 13 0.283 8.165 -21.342 97 HD3 ARG 13 HD3 ARG 13 -0.765 6.776 -21.622 98 HE ARG 13 HE ARG 13 -1.492 9.251 -20.412 99 HH11 ARG 13 HH11 ARG 13 -2.145 5.832 -20.396 100 HH12 ARG 13 HH12 ARG 13 -3.769 6.012 -19.818 101 HH21 ARG 13 HH21 ARG 13 -3.628 9.502 -19.651 102 HH22 ARG 13 HH22 ARG 13 -4.611 8.100 -19.395 103 H LYS 14 H LYS 14 3.525 6.466 -17.007 104 HA LYS 14 HA LYS 14 3.455 3.613 -17.745 105 HB2 LYS 14 HB2 LYS 14 5.234 4.948 -15.696 106 HB3 LYS 14 HB3 LYS 14 5.266 3.250 -16.154 107 HG2 LYS 14 HG2 LYS 14 5.766 5.442 -18.141 108 HG3 LYS 14 HG3 LYS 14 7.052 4.763 -17.141 109 HD2 LYS 14 HD2 LYS 14 7.263 3.364 -18.913 110 HD3 LYS 14 HD3 LYS 14 5.983 2.490 -18.068 111 HE2 LYS 14 HE2 LYS 14 4.384 3.102 -19.573 112 HE3 LYS 14 HE3 LYS 14 5.168 4.636 -19.948 113 HZ1 LYS 14 HZ1 LYS 14 6.929 3.215 -21.072 114 HZ2 LYS 14 HZ2 LYS 14 5.436 3.347 -21.853 115 HZ3 LYS 14 HZ3 LYS 14 5.814 1.945 -20.986 116 H THR 15 H THR 15 2.973 2.107 -16.005 117 HA THR 15 HA THR 15 1.507 3.252 -13.740 118 HB THR 15 HB THR 15 0.374 1.174 -15.622 119 HG1 THR 15 HG1 THR 15 -0.084 3.153 -16.450 120 HG21 THR 15 HG21 THR 15 -0.644 0.385 -13.781 121 HG22 THR 15 HG22 THR 15 -1.624 1.849 -13.874 122 HG23 THR 15 HG23 THR 15 -0.209 1.799 -12.823 123 H TYR 16 H TYR 16 2.463 2.439 -11.999 124 HA TYR 16 HA TYR 16 2.704 -0.417 -11.674 125 HB2 TYR 16 HB2 TYR 16 5.163 -0.154 -10.968 126 HB3 TYR 16 HB3 TYR 16 4.810 -0.187 -12.692 127 HD1 TYR 16 HD2 TYR 16 5.394 2.171 -9.867 128 HD2 TYR 16 HD1 TYR 16 5.579 1.529 -14.069 129 HE1 TYR 16 HE2 TYR 16 6.559 4.320 -10.139 130 HE2 TYR 16 HE1 TYR 16 6.745 3.675 -14.352 131 HH TYR 16 HH TYR 16 8.306 5.169 -12.584 132 H GLU 17 H GLU 17 2.613 -1.027 -9.561 133 HA GLU 17 HA GLU 17 1.671 0.796 -7.654 134 HB2 GLU 17 HB2 GLU 17 2.517 -2.047 -7.641 135 HB3 GLU 17 HB3 GLU 17 2.477 -1.231 -6.084 136 HG2 GLU 17 HG2 GLU 17 0.159 -0.722 -6.331 137 HG3 GLU 17 HG3 GLU 17 0.158 -1.299 -7.997 138 H ALA 18 H ALA 18 2.689 2.222 -6.421 139 HA ALA 18 HA ALA 18 5.607 2.077 -6.205 140 HB1 ALA 18 HB1 ALA 18 4.010 4.172 -6.849 141 HB2 ALA 18 HB2 ALA 18 4.245 4.441 -5.122 142 HB3 ALA 18 HB3 ALA 18 5.641 4.323 -6.193 143 H TYR 19 H TYR 19 6.199 3.408 -3.977 144 HA TYR 19 HA TYR 19 4.815 2.009 -1.791 145 HB2 TYR 19 HB2 TYR 19 7.558 1.690 -2.654 146 HB3 TYR 19 HB3 TYR 19 7.490 2.268 -0.992 147 HD1 TYR 19 HD1 TYR 19 6.586 -0.483 -3.258 148 HD2 TYR 19 HD2 TYR 19 6.645 0.871 0.775 149 HE1 TYR 19 HE1 TYR 19 6.110 -2.770 -2.490 150 HE2 TYR 19 HE2 TYR 19 6.171 -1.413 1.555 151 HH TYR 19 HH TYR 19 6.035 -3.574 0.951 152 H ASP 20 H ASP 20 5.887 2.946 0.390 153 HA ASP 20 HA ASP 20 5.346 5.811 0.266 154 HB2 ASP 20 HB2 ASP 20 5.271 5.636 2.760 155 HB3 ASP 20 HB3 ASP 20 4.101 4.606 1.939 156 H GLY 21 H GLY 21 6.994 7.163 0.032 157 HA2 GLY 21 HA2 GLY 21 9.040 8.165 0.336 158 HA3 GLY 21 HA3 GLY 21 9.228 7.168 1.771 159 H GLU 22 H GLU 22 8.614 5.324 -0.990 160 HA GLU 22 HA GLU 22 11.400 4.455 -1.044 161 HB2 GLU 22 HB2 GLU 22 9.576 2.782 -0.801 162 HB3 GLU 22 HB3 GLU 22 8.987 3.235 -2.394 163 HG2 GLU 22 HG2 GLU 22 10.272 1.609 -3.180 164 HG3 GLU 22 HG3 GLU 22 11.639 2.672 -2.849 165 H THR 23 H THR 23 12.759 5.059 -2.587 166 HA THR 23 HA THR 23 11.915 6.742 -4.735 167 HB THR 23 HB THR 23 14.080 7.141 -3.764 168 HG1 THR 23 HG1 THR 23 14.799 7.651 -5.683 169 HG21 THR 23 HG21 THR 23 15.907 5.372 -4.307 170 HG22 THR 23 HG22 THR 23 14.545 4.256 -4.420 171 HG23 THR 23 HG23 THR 23 14.853 5.123 -2.916 172 H LEU 24 H LEU 24 12.423 6.334 -7.015 173 HA LEU 24 HA LEU 24 11.252 3.971 -7.956 174 HB2 LEU 24 HB2 LEU 24 12.096 4.683 -10.175 175 HB3 LEU 24 HB3 LEU 24 11.218 5.938 -9.303 176 HG LEU 24 HG LEU 24 13.613 6.711 -8.589 177 HD11 LEU 24 HD11 LEU 24 14.651 5.977 -11.166 178 HD12 LEU 24 HD12 LEU 24 14.266 4.537 -10.223 179 HD13 LEU 24 HD13 LEU 24 15.359 5.755 -9.566 180 HD21 LEU 24 HD21 LEU 24 13.591 8.288 -10.329 181 HD22 LEU 24 HD22 LEU 24 11.900 7.847 -10.091 182 HD23 LEU 24 HD23 LEU 24 12.805 7.172 -11.446 183 H LEU 25 H LEU 25 14.493 4.684 -7.039 184 HA LEU 25 HA LEU 25 15.995 2.923 -8.539 185 HB2 LEU 25 HB2 LEU 25 16.270 4.329 -6.045 186 HB3 LEU 25 HB3 LEU 25 16.987 2.723 -5.923 187 HG LEU 25 HG LEU 25 18.677 4.331 -6.534 188 HD11 LEU 25 HD11 LEU 25 18.252 1.965 -7.782 189 HD12 LEU 25 HD12 LEU 25 19.681 2.973 -8.012 190 HD13 LEU 25 HD13 LEU 25 18.345 3.062 -9.160 191 HD21 LEU 25 HD21 LEU 25 18.468 5.939 -8.104 192 HD22 LEU 25 HD22 LEU 25 16.746 5.710 -7.797 193 HD23 LEU 25 HD23 LEU 25 17.509 4.921 -9.178 194 H SER 26 H SER 26 14.427 2.242 -5.409 195 HA SER 26 HA SER 26 15.079 -0.485 -5.327 196 HB2 SER 26 HB2 SER 26 13.971 -0.463 -3.357 197 HB3 SER 26 HB3 SER 26 13.838 1.275 -3.622 198 HG SER 26 HG SER 26 11.927 -0.743 -4.095 199 H LEU 27 H LEU 27 12.529 1.245 -6.950 200 HA LEU 27 HA LEU 27 10.730 -0.838 -7.422 201 HB2 LEU 27 HB2 LEU 27 10.859 1.806 -8.066 202 HB3 LEU 27 HB3 LEU 27 11.089 1.048 -9.640 203 HG LEU 27 HG LEU 27 8.961 -0.202 -9.270 204 HD11 LEU 27 HD11 LEU 27 7.593 1.293 -7.446 205 HD12 LEU 27 HD12 LEU 27 9.177 1.148 -6.685 206 HD13 LEU 27 HD13 LEU 27 8.282 -0.301 -7.141 207 HD21 LEU 27 HD21 LEU 27 9.285 2.665 -9.716 208 HD22 LEU 27 HD22 LEU 27 7.664 2.210 -9.193 209 HD23 LEU 27 HD23 LEU 27 8.367 1.469 -10.631 210 H ALA 28 H ALA 28 13.831 -0.183 -8.790 211 HA ALA 28 HA ALA 28 13.662 -1.479 -11.247 212 HB1 ALA 28 HB1 ALA 28 15.591 -0.115 -10.288 213 HB2 ALA 28 HB2 ALA 28 16.102 -1.609 -9.502 214 HB3 ALA 28 HB3 ALA 28 16.007 -1.526 -11.261 215 H HIS 29 H HIS 29 13.696 -2.772 -8.044 216 HA HIS 29 HA HIS 29 14.616 -5.381 -8.624 217 HB2 HIS 29 HB2 HIS 29 12.755 -4.461 -6.423 218 HB3 HIS 29 HB3 HIS 29 13.603 -6.004 -6.470 219 HD1 HIS 29 HD1 HIS 29 13.905 -3.632 -4.305 220 HD2 HIS 29 HD2 HIS 29 16.556 -4.616 -7.350 221 HE1 HIS 29 HE1 HIS 29 16.139 -2.746 -3.565 222 H ARG 30 H ARG 30 11.379 -3.950 -8.537 223 HA ARG 30 HA ARG 30 10.091 -6.435 -9.215 224 HB2 ARG 30 HB2 ARG 30 9.189 -3.618 -8.768 225 HB3 ARG 30 HB3 ARG 30 8.117 -4.737 -9.600 226 HG2 ARG 30 HG2 ARG 30 7.575 -4.699 -7.263 227 HG3 ARG 30 HG3 ARG 30 8.273 -6.268 -7.671 228 HD2 ARG 30 HD2 ARG 30 10.124 -4.150 -6.734 229 HD3 ARG 30 HD3 ARG 30 9.038 -4.860 -5.540 230 HE ARG 30 HE ARG 30 11.347 -6.067 -6.657 231 HH11 ARG 30 HH11 ARG 30 8.118 -6.780 -5.570 232 HH12 ARG 30 HH12 ARG 30 8.478 -8.426 -5.166 233 HH21 ARG 30 HH21 ARG 30 11.833 -8.232 -6.129 234 HH22 ARG 30 HH22 ARG 30 10.591 -9.250 -5.483 235 H ASN 31 H ASN 31 11.254 -3.606 -10.902 236 HA ASN 31 HA ASN 31 9.915 -4.226 -13.370 237 HB2 ASN 31 HB2 ASN 31 10.721 -1.910 -12.515 238 HB3 ASN 31 HB3 ASN 31 12.292 -2.400 -13.143 239 HD21 ASN 31 HD21 ASN 31 8.940 -1.813 -13.994 240 HD22 ASN 31 HD22 ASN 31 9.227 -1.486 -15.666 241 H ASN 32 H ASN 32 12.813 -5.197 -11.822 242 HA ASN 32 HA ASN 32 14.483 -6.622 -12.417 243 HB2 ASN 32 HB2 ASN 32 12.820 -7.258 -14.860 244 HB3 ASN 32 HB3 ASN 32 14.055 -8.269 -14.116 245 HD21 ASN 32 HD21 ASN 32 10.780 -7.469 -14.221 246 HD22 ASN 32 HD22 ASN 32 10.250 -8.421 -12.880 247 H VAL 33 H VAL 33 14.592 -3.876 -13.241 248 HA VAL 33 HA VAL 33 15.895 -3.971 -15.860 249 HB VAL 33 HB VAL 33 14.262 -2.161 -15.412 250 HG11 VAL 33 HG11 VAL 33 16.287 -0.949 -13.560 251 HG12 VAL 33 HG12 VAL 33 14.603 -0.486 -13.815 252 HG13 VAL 33 HG13 VAL 33 14.989 -1.981 -12.962 253 HG21 VAL 33 HG21 VAL 33 17.075 -1.141 -15.786 254 HG22 VAL 33 HG22 VAL 33 16.104 -1.900 -17.047 255 HG23 VAL 33 HG23 VAL 33 15.588 -0.371 -16.338 256 H ASP 34 H ASP 34 18.016 -3.222 -16.188 257 HA ASP 34 HA ASP 34 19.795 -3.768 -13.974 258 HB2 ASP 34 HB2 ASP 34 20.710 -2.798 -16.663 259 HB3 ASP 34 HB3 ASP 34 21.511 -3.905 -15.551 260 H LEU 35 H LEU 35 19.769 -2.126 -12.516 261 HA LEU 35 HA LEU 35 20.767 0.467 -13.465 262 HB2 LEU 35 HB2 LEU 35 18.293 -0.103 -11.949 263 HB3 LEU 35 HB3 LEU 35 19.244 1.280 -11.414 264 HG LEU 35 HG LEU 35 18.344 0.962 -14.266 265 HD11 LEU 35 HD11 LEU 35 16.550 1.082 -12.266 266 HD12 LEU 35 HD12 LEU 35 16.302 1.819 -13.848 267 HD13 LEU 35 HD13 LEU 35 16.869 2.801 -12.498 268 HD21 LEU 35 HD21 LEU 35 19.357 3.244 -12.585 269 HD22 LEU 35 HD22 LEU 35 18.571 3.474 -14.148 270 HD23 LEU 35 HD23 LEU 35 20.076 2.559 -14.043 271 H GLU 36 H GLU 36 21.951 1.678 -11.904 272 HA GLU 36 HA GLU 36 23.170 -0.029 -9.858 273 HB2 GLU 36 HB2 GLU 36 24.083 2.463 -11.275 274 HB3 GLU 36 HB3 GLU 36 24.876 1.900 -9.810 275 HG2 GLU 36 HG2 GLU 36 25.194 -0.311 -10.994 276 HG3 GLU 36 HG3 GLU 36 24.692 0.517 -12.467 277 H GLY 37 H GLY 37 23.154 0.468 -7.716 278 HA2 GLY 37 HA2 GLY 37 22.456 3.034 -6.693 279 HA3 GLY 37 HA3 GLY 37 21.086 1.936 -6.615 280 H ALA 38 H ALA 38 21.557 2.622 -4.258 281 HA ALA 38 HA ALA 38 22.630 0.345 -2.929 282 HB1 ALA 38 HB1 ALA 38 24.771 1.018 -2.907 283 HB2 ALA 38 HB2 ALA 38 24.356 2.692 -3.278 284 HB3 ALA 38 HB3 ALA 38 24.235 2.099 -1.621 285 H CYS 39 H CYS 39 21.731 0.130 -0.952 286 HA CYS 39 HA CYS 39 20.832 2.404 0.569 287 HB2 CYS 39 HB2 CYS 39 19.034 1.788 -1.234 288 HB3 CYS 39 HB3 CYS 39 18.674 0.451 -0.148 289 HG CYS 39 HG CYS 39 17.183 1.782 1.458 290 H GLU 40 H GLU 40 20.499 1.927 2.719 291 HA GLU 40 HA GLU 40 20.184 -0.741 3.684 292 HB2 GLU 40 HB2 GLU 40 22.371 -0.759 4.948 293 HB3 GLU 40 HB3 GLU 40 22.494 -1.019 3.214 294 HG2 GLU 40 HG2 GLU 40 23.364 1.118 2.837 295 HG3 GLU 40 HG3 GLU 40 22.857 1.698 4.423 296 H GLY 41 H GLY 41 19.666 -0.813 5.871 297 HA2 GLY 41 HA2 GLY 41 18.991 -0.013 7.918 298 HA3 GLY 41 HA3 GLY 41 20.082 1.342 7.668 299 H SER 42 H SER 42 19.120 3.250 7.685 300 HA SER 42 HA SER 42 16.364 3.637 7.771 301 HB2 SER 42 HB2 SER 42 16.816 5.981 7.664 302 HB3 SER 42 HB3 SER 42 18.168 5.250 8.528 303 HG SER 42 HG SER 42 19.125 6.525 7.054 304 H LEU 43 H LEU 43 15.344 5.350 6.146 305 HA LEU 43 HA LEU 43 15.679 4.221 3.445 306 HB2 LEU 43 HB2 LEU 43 13.501 3.847 4.783 307 HB3 LEU 43 HB3 LEU 43 13.168 5.538 4.413 308 HG LEU 43 HG LEU 43 13.299 4.989 1.999 309 HD11 LEU 43 HD11 LEU 43 14.431 2.595 2.963 310 HD12 LEU 43 HD12 LEU 43 14.125 3.060 1.290 311 HD13 LEU 43 HD13 LEU 43 12.901 2.170 2.195 312 HD21 LEU 43 HD21 LEU 43 11.306 3.586 3.754 313 HD22 LEU 43 HD22 LEU 43 11.177 3.575 1.995 314 HD23 LEU 43 HD23 LEU 43 11.125 5.104 2.874 315 H ALA 44 H ALA 44 17.370 5.917 3.259 316 HA ALA 44 HA ALA 44 18.130 7.922 2.490 317 HB1 ALA 44 HB1 ALA 44 16.551 7.199 0.654 318 HB2 ALA 44 HB2 ALA 44 15.374 8.312 1.351 319 HB3 ALA 44 HB3 ALA 44 16.908 8.924 0.733 320 H CYS 45 H CYS 45 16.997 7.885 5.141 321 HA CYS 45 HA CYS 45 16.386 9.296 6.816 322 HB2 CYS 45 HB2 CYS 45 18.317 10.561 5.691 323 HB3 CYS 45 HB3 CYS 45 17.074 11.574 4.969 324 HG CYS 45 HG CYS 45 16.331 12.872 7.156 325 H SER 46 H SER 46 14.238 8.389 5.503 326 HA SER 46 HA SER 46 12.550 10.430 4.457 327 HB2 SER 46 HB2 SER 46 10.784 8.737 4.541 328 HB3 SER 46 HB3 SER 46 12.266 8.042 3.885 329 HG SER 46 HG SER 46 11.110 7.673 6.431 330 H THR 47 H THR 47 11.676 12.016 5.595 331 HA THR 47 HA THR 47 10.672 11.432 8.297 332 HB THR 47 HB THR 47 11.911 14.094 7.644 333 HG1 THR 47 HG1 THR 47 13.168 11.679 8.322 334 HG21 THR 47 HG21 THR 47 11.243 14.581 9.711 335 HG22 THR 47 HG22 THR 47 12.227 13.261 10.342 336 HG23 THR 47 HG23 THR 47 10.552 12.968 9.876 337 H CYS 48 H CYS 48 8.730 11.193 6.803 338 HA CYS 48 HA CYS 48 6.710 11.944 6.081 339 HB2 CYS 48 HB2 CYS 48 7.435 14.260 7.884 340 HB3 CYS 48 HB3 CYS 48 5.848 14.035 7.159 341 HG CYS 48 HG CYS 48 5.092 11.908 8.614 342 H HIS 49 H HIS 49 8.792 12.345 4.312 343 HA HIS 49 HA HIS 49 8.728 15.044 3.303 344 HB2 HIS 49 HB2 HIS 49 9.883 12.524 2.091 345 HB3 HIS 49 HB3 HIS 49 10.145 14.159 1.491 346 HD1 HIS 49 HD1 HIS 49 10.369 15.012 4.742 347 HD2 HIS 49 HD2 HIS 49 12.748 12.493 2.449 348 HE1 HIS 49 HE1 HIS 49 12.588 14.923 5.923 349 H VAL 50 H VAL 50 8.066 15.567 1.099 350 HA VAL 50 HA VAL 50 5.941 13.833 0.044 351 HB VAL 50 HB VAL 50 4.539 15.817 -0.412 352 HG11 VAL 50 HG11 VAL 50 3.985 14.527 1.513 353 HG12 VAL 50 HG12 VAL 50 5.266 15.283 2.462 354 HG13 VAL 50 HG13 VAL 50 3.861 16.227 1.965 355 HG21 VAL 50 HG21 VAL 50 6.690 17.228 1.149 356 HG22 VAL 50 HG22 VAL 50 6.116 17.586 -0.480 357 HG23 VAL 50 HG23 VAL 50 5.077 17.900 0.910 358 H ILE 51 H ILE 51 5.662 13.881 -2.172 359 HA ILE 51 HA ILE 51 7.339 15.693 -3.740 360 HB ILE 51 HB ILE 51 8.834 13.930 -3.754 361 HG12 ILE 51 HG12 ILE 51 7.016 13.155 -6.041 362 HG13 ILE 51 HG13 ILE 51 8.055 14.575 -6.063 363 HG21 ILE 51 HG21 ILE 51 8.193 11.557 -3.883 364 HG22 ILE 51 HG22 ILE 51 7.506 12.362 -2.473 365 HG23 ILE 51 HG23 ILE 51 6.495 12.032 -3.880 366 HD11 ILE 51 HD11 ILE 51 9.648 13.293 -6.900 367 HD12 ILE 51 HD12 ILE 51 9.717 12.453 -5.350 368 HD13 ILE 51 HD13 ILE 51 8.685 11.838 -6.642 369 H ILE 52 H ILE 52 5.922 16.691 -5.010 370 HA ILE 52 HA ILE 52 3.956 15.049 -6.459 371 HB ILE 52 HB ILE 52 2.563 17.283 -6.384 372 HG12 ILE 52 HG12 ILE 52 2.768 18.418 -4.210 373 HG13 ILE 52 HG13 ILE 52 4.152 17.407 -3.811 374 HG21 ILE 52 HG21 ILE 52 2.732 15.028 -4.458 375 HG22 ILE 52 HG22 ILE 52 1.655 16.371 -4.074 376 HG23 ILE 52 HG23 ILE 52 1.440 15.469 -5.575 377 HD11 ILE 52 HD11 ILE 52 5.561 18.597 -5.103 378 HD12 ILE 52 HD12 ILE 52 4.332 18.939 -6.322 379 HD13 ILE 52 HD13 ILE 52 4.368 19.866 -4.822 380 H ASP 53 H ASP 53 3.171 16.062 -8.463 381 HA ASP 53 HA ASP 53 5.182 16.763 -10.200 382 HB2 ASP 53 HB2 ASP 53 3.214 17.855 -11.541 383 HB3 ASP 53 HB3 ASP 53 3.229 16.116 -11.264 384 HA PRO 54 HA PRO 54 6.205 20.986 -9.613 385 HB2 PRO 54 HB2 PRO 54 6.532 21.864 -12.161 386 HB3 PRO 54 HB3 PRO 54 7.674 20.774 -11.366 387 HG2 PRO 54 HG2 PRO 54 5.479 20.136 -13.299 388 HG3 PRO 54 HG3 PRO 54 7.133 19.502 -13.237 389 HD2 PRO 54 HD2 PRO 54 5.007 18.121 -12.287 390 HD3 PRO 54 HD3 PRO 54 6.626 17.992 -11.570 391 H SER 55 H SER 55 3.360 20.127 -11.306 392 HA SER 55 HA SER 55 2.428 22.807 -11.785 393 HB2 SER 55 HB2 SER 55 0.953 20.163 -11.862 394 HB3 SER 55 HB3 SER 55 0.308 21.705 -12.427 395 HG SER 55 HG SER 55 1.184 20.506 -14.148 396 H TRP 56 H TRP 56 2.253 20.492 -9.213 397 HA TRP 56 HA TRP 56 0.171 22.020 -7.839 398 HB2 TRP 56 HB2 TRP 56 1.437 19.333 -7.326 399 HB3 TRP 56 HB3 TRP 56 0.412 20.124 -6.131 400 HD1 TRP 56 HD1 TRP 56 -0.482 20.365 -9.833 401 HE1 TRP 56 HE1 TRP 56 -2.653 19.046 -10.248 402 HE3 TRP 56 HE3 TRP 56 -0.968 18.142 -5.256 403 HZ2 TRP 56 HZ2 TRP 56 -4.347 17.295 -8.823 404 HZ3 TRP 56 HZ3 TRP 56 -2.892 16.659 -4.863 405 HH2 TRP 56 HH2 TRP 56 -4.546 16.246 -6.611 406 H TYR 57 H TYR 57 3.576 21.515 -7.852 407 HA TYR 57 HA TYR 57 4.323 22.055 -5.253 408 HB2 TYR 57 HB2 TYR 57 5.993 21.441 -6.850 409 HB3 TYR 57 HB3 TYR 57 5.635 22.840 -7.857 410 HD1 TYR 57 HD1 TYR 57 6.399 25.074 -7.196 411 HD2 TYR 57 HD2 TYR 57 7.387 21.636 -4.893 412 HE1 TYR 57 HE1 TYR 57 8.148 26.359 -6.039 413 HE2 TYR 57 HE2 TYR 57 9.139 22.911 -3.730 414 HH TYR 57 HH TYR 57 10.389 24.825 -3.817 415 H ASP 58 H ASP 58 3.760 24.409 -7.863 416 HA ASP 58 HA ASP 58 4.241 26.716 -6.349 417 HB2 ASP 58 HB2 ASP 58 4.068 26.615 -8.845 418 HB3 ASP 58 HB3 ASP 58 2.322 26.458 -8.671 419 H ILE 59 H ILE 59 1.502 24.605 -6.494 420 HA ILE 59 HA ILE 59 -0.345 26.473 -5.315 421 HB ILE 59 HB ILE 59 -0.569 23.480 -5.660 422 HG12 ILE 59 HG12 ILE 59 -1.882 25.665 -7.280 423 HG13 ILE 59 HG13 ILE 59 -0.369 24.898 -7.753 424 HG21 ILE 59 HG21 ILE 59 -2.552 25.562 -4.781 425 HG22 ILE 59 HG22 ILE 59 -3.036 23.985 -5.402 426 HG23 ILE 59 HG23 ILE 59 -2.061 24.094 -3.937 427 HD11 ILE 59 HD11 ILE 59 -1.729 23.549 -8.913 428 HD12 ILE 59 HD12 ILE 59 -1.918 22.728 -7.363 429 HD13 ILE 59 HD13 ILE 59 -3.124 23.900 -7.893 430 H VAL 60 H VAL 60 1.289 23.510 -4.195 431 HA VAL 60 HA VAL 60 0.379 23.692 -1.526 432 HB VAL 60 HB VAL 60 2.192 22.086 -1.000 433 HG11 VAL 60 HG11 VAL 60 -0.048 21.716 -2.631 434 HG12 VAL 60 HG12 VAL 60 1.247 20.787 -3.388 435 HG13 VAL 60 HG13 VAL 60 0.815 20.489 -1.703 436 HG21 VAL 60 HG21 VAL 60 3.933 22.874 -2.453 437 HG22 VAL 60 HG22 VAL 60 3.549 21.210 -2.894 438 HG23 VAL 60 HG23 VAL 60 2.952 22.544 -3.882 439 H GLU 61 H GLU 61 2.977 25.213 -3.238 440 HA GLU 61 HA GLU 61 4.493 25.938 -0.915 441 HB2 GLU 61 HB2 GLU 61 5.679 25.764 -2.981 442 HB3 GLU 61 HB3 GLU 61 4.566 26.860 -3.786 443 HG2 GLU 61 HG2 GLU 61 5.381 28.718 -2.503 444 HG3 GLU 61 HG3 GLU 61 6.397 27.651 -1.534 445 H GLN 62 H GLN 62 1.920 27.371 -2.794 446 HA GLN 62 HA GLN 62 2.143 29.911 -1.390 447 HB2 GLN 62 HB2 GLN 62 0.429 30.707 -2.876 448 HB3 GLN 62 HB3 GLN 62 1.617 29.825 -3.826 449 HG2 GLN 62 HG2 GLN 62 0.175 27.939 -4.016 450 HG3 GLN 62 HG3 GLN 62 -0.964 28.626 -2.860 451 HE21 GLN 62 HE21 GLN 62 0.158 28.620 -6.117 452 HE22 GLN 62 HE22 GLN 62 -1.062 29.656 -6.768 453 H HIS 63 H HIS 63 0.290 26.986 -1.307 454 HA HIS 63 HA HIS 63 -1.866 28.062 0.261 455 HB2 HIS 63 HB2 HIS 63 -2.288 26.153 -1.177 456 HB3 HIS 63 HB3 HIS 63 -1.057 25.210 -0.340 457 HD1 HIS 63 HD1 HIS 63 -2.364 23.423 0.789 458 HD2 HIS 63 HD2 HIS 63 -4.053 27.179 1.336 459 HE1 HIS 63 HE1 HIS 63 -4.260 23.078 2.404 460 H ASN 64 H ASN 64 1.245 26.676 0.881 461 HA ASN 64 HA ASN 64 0.662 26.691 3.770 462 HB2 ASN 64 HB2 ASN 64 2.260 24.834 2.076 463 HB3 ASN 64 HB3 ASN 64 2.847 25.162 3.704 464 HD21 ASN 64 HD21 ASN 64 2.107 23.903 5.246 465 HD22 ASN 64 HD22 ASN 64 0.652 22.974 5.192 466 H GLU 65 H GLU 65 1.779 28.069 4.995 467 HA GLU 65 HA GLU 65 3.782 29.749 3.741 468 HB2 GLU 65 HB2 GLU 65 3.631 31.114 5.733 469 HB3 GLU 65 HB3 GLU 65 2.012 30.727 5.168 470 HG2 GLU 65 HG2 GLU 65 2.024 28.845 6.863 471 HG3 GLU 65 HG3 GLU 65 3.475 29.592 7.529 472 H ILE 66 H ILE 66 5.892 30.064 4.539 473 HA ILE 66 HA ILE 66 6.939 27.760 6.044 474 HB ILE 66 HB ILE 66 9.157 28.416 5.011 475 HG12 ILE 66 HG12 ILE 66 7.345 30.045 3.215 476 HG13 ILE 66 HG13 ILE 66 8.520 30.701 4.350 477 HG21 ILE 66 HG21 ILE 66 7.208 26.737 4.150 478 HG22 ILE 66 HG22 ILE 66 7.456 27.736 2.719 479 HG23 ILE 66 HG23 ILE 66 8.812 26.860 3.428 480 HD11 ILE 66 HD11 ILE 66 10.033 29.001 2.822 481 HD12 ILE 66 HD12 ILE 66 8.892 29.679 1.660 482 HD13 ILE 66 HD13 ILE 66 9.912 30.749 2.622 483 H SER 67 H SER 67 7.893 28.087 7.951 484 HA SER 67 HA SER 67 8.025 30.778 9.006 485 HB2 SER 67 HB2 SER 67 8.723 28.137 10.313 486 HB3 SER 67 HB3 SER 67 8.569 29.689 11.137 487 HG SER 67 HG SER 67 6.547 29.175 11.329 488 H ASP 68 H ASP 68 10.084 30.928 10.648 489 HA ASP 68 HA ASP 68 12.265 31.564 9.026 490 HB2 ASP 68 HB2 ASP 68 12.178 31.037 12.003 491 HB3 ASP 68 HB3 ASP 68 13.534 31.777 11.157 492 H GLU 69 H GLU 69 11.527 28.646 10.847 493 HA GLU 69 HA GLU 69 14.091 27.443 10.290 494 HB2 GLU 69 HB2 GLU 69 13.153 25.460 11.403 495 HB3 GLU 69 HB3 GLU 69 12.952 26.911 12.375 496 HG2 GLU 69 HG2 GLU 69 10.622 27.079 11.580 497 HG3 GLU 69 HG3 GLU 69 10.840 25.562 10.709 498 H GLU 70 H GLU 70 10.777 27.157 9.108 499 HA GLU 70 HA GLU 70 11.193 24.937 7.421 500 HB2 GLU 70 HB2 GLU 70 8.993 26.169 8.205 501 HB3 GLU 70 HB3 GLU 70 9.213 27.055 6.702 502 HG2 GLU 70 HG2 GLU 70 7.863 25.357 6.001 503 HG3 GLU 70 HG3 GLU 70 9.450 24.665 5.674 504 H ASN 71 H ASN 71 10.939 28.395 6.570 505 HA ASN 71 HA ASN 71 11.651 28.157 3.896 506 HB2 ASN 71 HB2 ASN 71 10.713 30.209 4.888 507 HB3 ASN 71 HB3 ASN 71 12.223 30.476 5.755 508 HD21 ASN 71 HD21 ASN 71 12.991 32.270 4.848 509 HD22 ASN 71 HD22 ASN 71 13.303 32.476 3.162 510 H ASP 72 H ASP 72 13.626 28.106 6.751 511 HA ASP 72 HA ASP 72 16.107 28.542 5.354 512 HB2 ASP 72 HB2 ASP 72 15.885 29.226 7.690 513 HB3 ASP 72 HB3 ASP 72 15.565 27.560 8.164 514 H MET 73 H MET 73 14.129 25.832 6.228 515 HA MET 73 HA MET 73 16.007 23.769 6.180 516 HB2 MET 73 HB2 MET 73 13.548 23.654 6.838 517 HB3 MET 73 HB3 MET 73 13.195 23.523 5.120 518 HG2 MET 73 HG2 MET 73 13.280 21.324 5.595 519 HG3 MET 73 HG3 MET 73 15.000 21.579 5.310 520 HE1 MET 73 HE1 MET 73 16.198 19.590 7.305 521 HE2 MET 73 HE2 MET 73 16.645 21.118 6.546 522 HE3 MET 73 HE3 MET 73 16.785 20.926 8.294 523 H LEU 74 H LEU 74 14.409 25.480 3.569 524 HA LEU 74 HA LEU 74 15.332 23.675 1.527 525 HB2 LEU 74 HB2 LEU 74 14.043 24.860 0.097 526 HB3 LEU 74 HB3 LEU 74 13.281 25.359 1.605 527 HG LEU 74 HG LEU 74 15.118 27.305 1.367 528 HD11 LEU 74 HD11 LEU 74 14.966 27.999 -1.085 529 HD12 LEU 74 HD12 LEU 74 14.550 26.317 -1.409 530 HD13 LEU 74 HD13 LEU 74 16.102 26.715 -0.671 531 HD21 LEU 74 HD21 LEU 74 12.305 26.985 0.876 532 HD22 LEU 74 HD22 LEU 74 12.985 28.191 -0.217 533 HD23 LEU 74 HD23 LEU 74 13.178 28.372 1.527 534 H ASP 75 H ASP 75 16.533 26.494 3.121 535 HA ASP 75 HA ASP 75 18.289 27.520 1.222 536 HB2 ASP 75 HB2 ASP 75 17.680 28.360 3.617 537 HB3 ASP 75 HB3 ASP 75 19.057 27.384 4.120 538 H LEU 76 H LEU 76 18.466 24.614 3.092 539 HA LEU 76 HA LEU 76 21.252 24.187 2.263 540 HB2 LEU 76 HB2 LEU 76 19.565 23.143 4.482 541 HB3 LEU 76 HB3 LEU 76 20.871 22.131 3.868 542 HG LEU 76 HG LEU 76 22.510 23.780 4.480 543 HD11 LEU 76 HD11 LEU 76 21.465 25.836 4.028 544 HD12 LEU 76 HD12 LEU 76 21.724 25.818 5.772 545 HD13 LEU 76 HD13 LEU 76 20.121 25.487 5.115 546 HD21 LEU 76 HD21 LEU 76 22.382 22.635 6.398 547 HD22 LEU 76 HD22 LEU 76 20.619 22.685 6.422 548 HD23 LEU 76 HD23 LEU 76 21.549 24.059 7.022 549 H ALA 77 H ALA 77 18.270 23.613 1.115 550 HA ALA 77 HA ALA 77 18.455 20.845 0.405 551 HB1 ALA 77 HB1 ALA 77 16.281 21.835 0.611 552 HB2 ALA 77 HB2 ALA 77 16.670 23.053 -0.605 553 HB3 ALA 77 HB3 ALA 77 16.521 21.359 -1.071 554 H PHE 78 H PHE 78 20.410 20.541 -0.657 555 HA PHE 78 HA PHE 78 20.681 21.892 -3.260 556 HB2 PHE 78 HB2 PHE 78 22.510 22.139 -1.444 557 HB3 PHE 78 HB3 PHE 78 22.933 20.480 -1.855 558 HD1 PHE 78 HD1 PHE 78 22.158 23.657 -3.660 559 HD2 PHE 78 HD2 PHE 78 24.660 20.229 -3.330 560 HE1 PHE 78 HE1 PHE 78 23.519 24.474 -5.539 561 HE2 PHE 78 HE2 PHE 78 26.027 21.042 -5.208 562 HZ PHE 78 HZ PHE 78 25.456 23.166 -6.316 563 H GLY 79 H GLY 79 20.516 20.702 -5.050 564 HA2 GLY 79 HA2 GLY 79 20.970 18.779 -6.376 565 HA3 GLY 79 HA3 GLY 79 21.054 17.820 -4.906 566 H LEU 80 H LEU 80 18.514 19.258 -4.008 567 HA LEU 80 HA LEU 80 16.703 17.262 -4.924 568 HB2 LEU 80 HB2 LEU 80 16.767 18.603 -2.692 569 HB3 LEU 80 HB3 LEU 80 15.816 19.785 -3.589 570 HG LEU 80 HG LEU 80 14.196 17.871 -4.065 571 HD11 LEU 80 HD11 LEU 80 15.404 16.603 -1.639 572 HD12 LEU 80 HD12 LEU 80 15.965 16.175 -3.255 573 HD13 LEU 80 HD13 LEU 80 14.276 15.923 -2.813 574 HD21 LEU 80 HD21 LEU 80 13.901 19.753 -2.411 575 HD22 LEU 80 HD22 LEU 80 14.469 18.639 -1.167 576 HD23 LEU 80 HD23 LEU 80 12.994 18.280 -2.066 577 H THR 81 H THR 81 14.630 17.691 -5.966 578 HA THR 81 HA THR 81 14.980 19.427 -8.257 579 HB THR 81 HB THR 81 12.699 18.459 -8.907 580 HG1 THR 81 HG1 THR 81 11.832 16.977 -7.629 581 HG21 THR 81 HG21 THR 81 13.989 16.039 -8.996 582 HG22 THR 81 HG22 THR 81 15.325 17.176 -8.815 583 HG23 THR 81 HG23 THR 81 14.196 17.349 -10.158 584 H ASP 82 H ASP 82 12.973 20.662 -9.013 585 HA ASP 82 HA ASP 82 12.248 22.499 -6.902 586 HB2 ASP 82 HB2 ASP 82 11.573 22.488 -9.852 587 HB3 ASP 82 HB3 ASP 82 11.177 23.790 -8.733 588 H THR 83 H THR 83 11.018 19.628 -7.945 589 HA THR 83 HA THR 83 8.218 20.380 -7.497 590 HB THR 83 HB THR 83 7.562 18.372 -8.535 591 HG1 THR 83 HG1 THR 83 8.686 16.623 -8.187 592 HG21 THR 83 HG21 THR 83 8.957 20.166 -9.925 593 HG22 THR 83 HG22 THR 83 8.319 18.697 -10.663 594 HG23 THR 83 HG23 THR 83 10.009 18.773 -10.168 595 H SER 84 H SER 84 10.882 18.806 -6.012 596 HA SER 84 HA SER 84 9.230 17.343 -4.118 597 HB2 SER 84 HB2 SER 84 11.255 16.250 -4.906 598 HB3 SER 84 HB3 SER 84 12.236 17.611 -4.363 599 HG SER 84 HG SER 84 10.793 15.756 -2.784 600 H ARG 85 H ARG 85 8.506 18.217 -2.305 601 HA ARG 85 HA ARG 85 9.872 20.599 -1.245 602 HB2 ARG 85 HB2 ARG 85 7.009 19.765 -1.343 603 HB3 ARG 85 HB3 ARG 85 7.544 20.753 0.009 604 HG2 ARG 85 HG2 ARG 85 8.572 22.229 -1.914 605 HG3 ARG 85 HG3 ARG 85 7.319 21.437 -2.871 606 HD2 ARG 85 HD2 ARG 85 6.468 23.517 -1.991 607 HD3 ARG 85 HD3 ARG 85 5.639 22.167 -1.218 608 HE ARG 85 HE ARG 85 6.517 22.829 0.787 609 HH11 ARG 85 HH11 ARG 85 8.300 24.348 -1.788 610 HH12 ARG 85 HH12 ARG 85 9.219 25.365 -0.727 611 HH21 ARG 85 HH21 ARG 85 7.720 24.161 2.194 612 HH22 ARG 85 HH22 ARG 85 8.889 25.256 1.537 613 H LEU 86 H LEU 86 10.552 20.655 0.841 614 HA LEU 86 HA LEU 86 11.342 19.825 2.811 615 HB2 LEU 86 HB2 LEU 86 8.830 20.083 3.179 616 HB3 LEU 86 HB3 LEU 86 8.741 18.333 2.988 617 HG LEU 86 HG LEU 86 10.497 18.296 4.905 618 HD11 LEU 86 HD11 LEU 86 11.006 20.632 5.005 619 HD12 LEU 86 HD12 LEU 86 10.157 20.187 6.485 620 HD13 LEU 86 HD13 LEU 86 9.303 21.045 5.203 621 HD21 LEU 86 HD21 LEU 86 8.629 17.331 5.673 622 HD22 LEU 86 HD22 LEU 86 7.580 18.520 4.901 623 HD23 LEU 86 HD23 LEU 86 8.330 18.882 6.457 624 H GLY 87 H GLY 87 11.862 18.261 0.389 625 HA2 GLY 87 HA2 GLY 87 11.958 15.531 1.491 626 HA3 GLY 87 HA3 GLY 87 12.105 15.943 -0.211 627 H CYS 88 H CYS 88 13.998 14.492 -0.030 628 HA CYS 88 HA CYS 88 16.378 16.081 0.539 629 HB2 CYS 88 HB2 CYS 88 15.625 13.548 1.918 630 HB3 CYS 88 HB3 CYS 88 17.318 13.784 1.502 631 HG CYS 88 HG CYS 88 17.482 14.676 3.972 632 H GLN 89 H GLN 89 15.289 12.860 -0.534 633 HA GLN 89 HA GLN 89 17.143 13.108 -2.811 634 HB2 GLN 89 HB2 GLN 89 17.543 11.321 -0.891 635 HB3 GLN 89 HB3 GLN 89 16.346 10.415 -1.808 636 HG2 GLN 89 HG2 GLN 89 17.961 11.116 -3.811 637 HG3 GLN 89 HG3 GLN 89 19.131 11.118 -2.492 638 HE21 GLN 89 HE21 GLN 89 18.795 9.116 -0.997 639 HE22 GLN 89 HE22 GLN 89 18.698 7.606 -1.830 640 H ILE 90 H ILE 90 14.215 13.726 -2.425 641 HA ILE 90 HA ILE 90 12.217 13.436 -3.495 642 HB ILE 90 HB ILE 90 13.495 12.438 -5.962 643 HG12 ILE 90 HG12 ILE 90 14.232 15.108 -4.744 644 HG13 ILE 90 HG13 ILE 90 15.328 13.772 -5.081 645 HG21 ILE 90 HG21 ILE 90 11.199 13.867 -5.217 646 HG22 ILE 90 HG22 ILE 90 12.197 14.988 -6.142 647 HG23 ILE 90 HG23 ILE 90 11.723 13.442 -6.846 648 HD11 ILE 90 HD11 ILE 90 15.713 14.628 -7.077 649 HD12 ILE 90 HD12 ILE 90 14.014 14.401 -7.494 650 HD13 ILE 90 HD13 ILE 90 14.549 15.917 -6.770 651 H ILE 91 H ILE 91 11.465 11.658 -2.289 652 HA ILE 91 HA ILE 91 11.615 9.084 -3.718 653 HB ILE 91 HB ILE 91 11.096 8.075 -1.416 654 HG12 ILE 91 HG12 ILE 91 12.250 10.725 -0.522 655 HG13 ILE 91 HG13 ILE 91 10.564 10.253 -0.339 656 HG21 ILE 91 HG21 ILE 91 13.553 8.846 -2.672 657 HG22 ILE 91 HG22 ILE 91 13.746 8.859 -0.920 658 HG23 ILE 91 HG23 ILE 91 13.186 7.399 -1.734 659 HD11 ILE 91 HD11 ILE 91 10.993 8.989 1.451 660 HD12 ILE 91 HD12 ILE 91 12.484 8.343 0.766 661 HD13 ILE 91 HD13 ILE 91 12.483 9.927 1.542 662 H LEU 92 H LEU 92 9.742 8.538 -4.598 663 HA LEU 92 HA LEU 92 7.337 9.841 -4.329 664 HB2 LEU 92 HB2 LEU 92 7.882 6.966 -5.036 665 HB3 LEU 92 HB3 LEU 92 6.301 7.727 -5.199 666 HG LEU 92 HG LEU 92 8.574 9.044 -6.570 667 HD11 LEU 92 HD11 LEU 92 8.185 6.284 -6.884 668 HD12 LEU 92 HD12 LEU 92 9.145 7.363 -7.897 669 HD13 LEU 92 HD13 LEU 92 7.456 7.048 -8.297 670 HD21 LEU 92 HD21 LEU 92 6.941 9.734 -8.065 671 HD22 LEU 92 HD22 LEU 92 6.074 9.701 -6.530 672 HD23 LEU 92 HD23 LEU 92 5.876 8.381 -7.683 673 H THR 93 H THR 93 5.252 8.873 -3.493 674 HA THR 93 HA THR 93 5.468 7.207 -1.140 675 HB THR 93 HB THR 93 5.910 9.089 0.116 676 HG1 THR 93 HG1 THR 93 4.094 8.392 1.101 677 HG21 THR 93 HG21 THR 93 4.971 11.317 -0.314 678 HG22 THR 93 HG22 THR 93 4.072 10.670 -1.686 679 HG23 THR 93 HG23 THR 93 5.834 10.698 -1.721 680 H LYS 94 H LYS 94 3.361 6.669 -0.225 681 HA LYS 94 HA LYS 94 1.441 6.141 -2.229 682 HB2 LYS 94 HB2 LYS 94 0.495 4.788 -0.689 683 HB3 LYS 94 HB3 LYS 94 1.965 5.103 0.224 684 HG2 LYS 94 HG2 LYS 94 0.664 7.102 1.201 685 HG3 LYS 94 HG3 LYS 94 -0.765 6.267 0.589 686 HD2 LYS 94 HD2 LYS 94 -0.742 4.872 2.321 687 HD3 LYS 94 HD3 LYS 94 0.923 4.406 1.969 688 HE2 LYS 94 HE2 LYS 94 1.580 6.592 3.129 689 HE3 LYS 94 HE3 LYS 94 -0.074 6.618 3.738 690 HZ1 LYS 94 HZ1 LYS 94 2.036 5.329 4.882 691 HZ2 LYS 94 HZ2 LYS 94 1.190 4.080 4.117 692 HZ3 LYS 94 HZ3 LYS 94 0.403 5.069 5.241 693 H GLU 95 H GLU 95 2.053 8.923 -0.432 694 HA GLU 95 HA GLU 95 -0.462 9.975 0.092 695 HB2 GLU 95 HB2 GLU 95 2.198 11.197 -0.531 696 HB3 GLU 95 HB3 GLU 95 0.781 12.230 -0.416 697 HG2 GLU 95 HG2 GLU 95 1.865 10.423 1.730 698 HG3 GLU 95 HG3 GLU 95 1.939 12.183 1.692 699 H LEU 96 H LEU 96 1.138 9.480 -2.920 700 HA LEU 96 HA LEU 96 -0.698 11.247 -4.348 701 HB2 LEU 96 HB2 LEU 96 1.526 9.541 -5.453 702 HB3 LEU 96 HB3 LEU 96 0.655 10.822 -6.294 703 HG LEU 96 HG LEU 96 1.661 12.254 -4.271 704 HD11 LEU 96 HD11 LEU 96 2.803 10.443 -3.187 705 HD12 LEU 96 HD12 LEU 96 4.001 11.522 -3.902 706 HD13 LEU 96 HD13 LEU 96 3.609 9.994 -4.690 707 HD21 LEU 96 HD21 LEU 96 2.249 11.822 -7.021 708 HD22 LEU 96 HD22 LEU 96 3.767 12.057 -6.153 709 HD23 LEU 96 HD23 LEU 96 2.495 13.276 -6.053 710 H ASP 97 H ASP 97 -1.519 8.714 -3.007 711 HA ASP 97 HA ASP 97 -2.000 6.658 -4.823 712 HB2 ASP 97 HB2 ASP 97 -3.801 5.958 -3.310 713 HB3 ASP 97 HB3 ASP 97 -2.360 6.422 -2.409 714 H GLY 98 H GLY 98 -3.031 6.738 -6.702 715 HA2 GLY 98 HA2 GLY 98 -4.793 7.046 -8.172 716 HA3 GLY 98 HA3 GLY 98 -5.688 7.830 -6.879 717 H LEU 99 H LEU 99 -2.624 9.168 -7.208 718 HA LEU 99 HA LEU 99 -3.732 11.398 -8.781 719 HB2 LEU 99 HB2 LEU 99 -1.820 11.291 -6.487 720 HB3 LEU 99 HB3 LEU 99 -1.760 12.640 -7.619 721 HG LEU 99 HG LEU 99 -4.174 11.854 -5.987 722 HD11 LEU 99 HD11 LEU 99 -1.839 13.490 -5.378 723 HD12 LEU 99 HD12 LEU 99 -3.070 12.823 -4.307 724 HD13 LEU 99 HD13 LEU 99 -3.370 14.338 -5.159 725 HD21 LEU 99 HD21 LEU 99 -3.619 14.017 -7.982 726 HD22 LEU 99 HD22 LEU 99 -4.804 14.258 -6.698 727 HD23 LEU 99 HD23 LEU 99 -5.013 12.944 -7.856 728 H CYS 100 H CYS 100 -2.506 12.328 -10.408 729 HA CYS 100 HA CYS 100 -0.286 10.664 -11.367 730 HB2 CYS 100 HB2 CYS 100 -1.816 12.745 -12.932 731 HB3 CYS 100 HB3 CYS 100 -0.747 11.500 -13.566 732 HG CYS 100 HG CYS 100 -3.742 11.227 -13.833 733 H VAL 101 H VAL 101 1.731 11.434 -11.508 734 HA VAL 101 HA VAL 101 2.187 14.322 -11.424 735 HB VAL 101 HB VAL 101 3.928 14.090 -9.701 736 HG11 VAL 101 HG11 VAL 101 1.469 14.616 -9.217 737 HG12 VAL 101 HG12 VAL 101 1.377 12.973 -8.580 738 HG13 VAL 101 HG13 VAL 101 2.487 14.139 -7.859 739 HG21 VAL 101 HG21 VAL 101 2.860 11.321 -9.199 740 HG22 VAL 101 HG22 VAL 101 4.305 11.634 -10.162 741 HG23 VAL 101 HG23 VAL 101 4.261 12.098 -8.461 742 H ILE 102 H ILE 102 4.556 14.824 -11.774 743 HA ILE 102 HA ILE 102 5.487 13.239 -14.013 744 HB ILE 102 HB ILE 102 6.634 15.765 -12.817 745 HG12 ILE 102 HG12 ILE 102 4.367 16.047 -13.761 746 HG13 ILE 102 HG13 ILE 102 5.583 16.906 -14.700 747 HG21 ILE 102 HG21 ILE 102 7.413 14.067 -15.135 748 HG22 ILE 102 HG22 ILE 102 7.618 15.814 -15.250 749 HG23 ILE 102 HG23 ILE 102 8.426 14.914 -13.967 750 HD11 ILE 102 HD11 ILE 102 3.671 15.123 -15.641 751 HD12 ILE 102 HD12 ILE 102 5.034 15.798 -16.534 752 HD13 ILE 102 HD13 ILE 102 5.198 14.244 -15.718 753 H LEU 103 H LEU 103 7.498 12.236 -14.169 754 HA LEU 103 HA LEU 103 8.429 10.929 -11.863 755 HB2 LEU 103 HB2 LEU 103 10.209 10.072 -13.267 756 HB3 LEU 103 HB3 LEU 103 8.662 10.007 -14.108 757 HG LEU 103 HG LEU 103 9.496 12.292 -15.122 758 HD11 LEU 103 HD11 LEU 103 11.528 12.825 -14.345 759 HD12 LEU 103 HD12 LEU 103 12.103 11.624 -15.500 760 HD13 LEU 103 HD13 LEU 103 11.868 11.179 -13.810 761 HD21 LEU 103 HD21 LEU 103 10.574 10.972 -16.961 762 HD22 LEU 103 HD22 LEU 103 8.966 10.419 -16.493 763 HD23 LEU 103 HD23 LEU 103 10.395 9.539 -15.949 764 HA PRO 104 HA PRO 104 11.314 13.710 -10.069 765 HB2 PRO 104 HB2 PRO 104 13.156 11.976 -9.083 766 HB3 PRO 104 HB3 PRO 104 11.549 12.177 -8.373 767 HG2 PRO 104 HG2 PRO 104 12.542 10.063 -10.246 768 HG3 PRO 104 HG3 PRO 104 11.518 9.893 -8.809 769 HD2 PRO 104 HD2 PRO 104 10.512 9.891 -11.323 770 HD3 PRO 104 HD3 PRO 104 9.613 10.538 -9.935 771 H THR 105 H THR 105 12.921 11.077 -11.864 772 HA THR 105 HA THR 105 14.451 13.023 -13.379 773 HB THR 105 HB THR 105 15.920 12.759 -11.487 774 HG1 THR 105 HG1 THR 105 17.087 12.829 -13.362 775 HG21 THR 105 HG21 THR 105 15.017 10.622 -10.656 776 HG22 THR 105 HG22 THR 105 16.776 10.593 -10.778 777 HG23 THR 105 HG23 THR 105 15.794 9.785 -12.000 778 H GLU 106 H GLU 106 15.499 12.119 -15.231 779 HA GLU 106 HA GLU 106 14.039 10.236 -16.624 780 HB2 GLU 106 HB2 GLU 106 16.916 11.085 -16.955 781 HB3 GLU 106 HB3 GLU 106 16.081 10.048 -18.103 782 HG2 GLU 106 HG2 GLU 106 14.341 11.936 -18.219 783 HG3 GLU 106 HG3 GLU 106 15.588 12.928 -17.467 784 H THR 107 H THR 107 13.652 8.234 -15.915 785 HA THR 107 HA THR 107 15.816 6.352 -15.753 786 HB THR 107 HB THR 107 14.135 6.547 -13.266 787 HG1 THR 107 HG1 THR 107 16.168 7.558 -12.410 788 HG21 THR 107 HG21 THR 107 15.218 4.655 -12.801 789 HG22 THR 107 HG22 THR 107 16.723 5.574 -12.765 790 HG23 THR 107 HG23 THR 107 16.194 4.805 -14.261 791 H ARG 108 H ARG 108 14.910 4.977 -17.175 792 HA ARG 108 HA ARG 108 12.471 3.612 -16.361 793 HB2 ARG 108 HB2 ARG 108 12.787 4.958 -19.049 794 HB3 ARG 108 HB3 ARG 108 11.525 3.795 -18.666 795 HG2 ARG 108 HG2 ARG 108 10.366 5.693 -18.262 796 HG3 ARG 108 HG3 ARG 108 11.106 5.503 -16.672 797 HD2 ARG 108 HD2 ARG 108 11.621 7.691 -17.095 798 HD3 ARG 108 HD3 ARG 108 13.043 6.901 -17.775 799 HE ARG 108 HE ARG 108 10.933 7.290 -19.682 800 HH11 ARG 108 HH11 ARG 108 13.681 8.758 -18.129 801 HH12 ARG 108 HH12 ARG 108 13.971 9.882 -19.414 802 HH21 ARG 108 HH21 ARG 108 11.305 8.765 -21.381 803 HH22 ARG 108 HH22 ARG 108 12.618 9.886 -21.263 804 H ASN 109 H ASN 109 12.030 1.731 -17.925 805 HA ASN 109 HA ASN 109 14.610 0.553 -18.728 806 HB2 ASN 109 HB2 ASN 109 13.619 -0.535 -16.738 807 HB3 ASN 109 HB3 ASN 109 12.169 -0.893 -17.672 808 HD21 ASN 109 HD21 ASN 109 12.587 -3.106 -17.135 809 HD22 ASN 109 HD22 ASN 109 13.736 -4.014 -18.053 810 H ILE 110 H ILE 110 11.607 1.614 -19.782 811 HA ILE 110 HA ILE 110 10.409 1.388 -21.709 812 HB ILE 110 HB ILE 110 13.018 0.554 -22.967 813 HG12 ILE 110 HG12 ILE 110 13.416 2.532 -21.580 814 HG13 ILE 110 HG13 ILE 110 13.478 2.952 -23.289 815 HG21 ILE 110 HG21 ILE 110 11.442 0.394 -24.626 816 HG22 ILE 110 HG22 ILE 110 10.437 1.672 -23.944 817 HG23 ILE 110 HG23 ILE 110 11.924 2.082 -24.798 818 HD11 ILE 110 HD11 ILE 110 12.081 4.601 -22.803 819 HD12 ILE 110 HD12 ILE 110 10.836 3.370 -22.587 820 HD13 ILE 110 HD13 ILE 110 11.756 3.948 -21.198 821 H SER 111 H SER 111 9.771 -0.690 -20.333 822 HA SER 111 HA SER 111 9.134 -2.699 -22.168 823 HB2 SER 111 HB2 SER 111 11.403 -3.433 -22.147 824 HB3 SER 111 HB3 SER 111 11.499 -3.308 -20.391 825 HG SER 111 HG SER 111 10.879 -5.428 -21.781 826 H PHE 112 H PHE 112 7.170 -3.080 -21.388 827 HA PHE 112 HA PHE 112 6.919 -3.843 -18.561 828 HB2 PHE 112 HB2 PHE 112 5.364 -1.778 -20.069 829 HB3 PHE 112 HB3 PHE 112 4.559 -2.702 -18.805 830 HD1 PHE 112 HD1 PHE 112 7.309 -0.354 -19.511 831 HD2 PHE 112 HD2 PHE 112 4.977 -2.277 -16.514 832 HE1 PHE 112 HE1 PHE 112 8.240 1.167 -17.816 833 HE2 PHE 112 HE2 PHE 112 5.904 -0.759 -14.814 834 HZ PHE 112 HZ PHE 112 7.538 0.965 -15.464 835 H VAL 113 H VAL 113 7.083 -5.360 -21.100 836 HA VAL 113 HA VAL 113 4.444 -6.673 -21.020 837 HB VAL 113 HB VAL 113 6.437 -6.767 -23.287 838 HG11 VAL 113 HG11 VAL 113 4.044 -7.436 -24.346 839 HG12 VAL 113 HG12 VAL 113 5.218 -8.608 -23.742 840 HG13 VAL 113 HG13 VAL 113 3.873 -8.098 -22.720 841 HG21 VAL 113 HG21 VAL 113 5.672 -4.546 -23.258 842 HG22 VAL 113 HG22 VAL 113 4.657 -5.360 -24.449 843 HG23 VAL 113 HG23 VAL 113 4.029 -5.028 -22.835 844 H LYS 114 H LYS 114 7.802 -7.017 -20.473 845 HA LYS 114 HA LYS 114 7.413 -9.879 -19.923 846 HB2 LYS 114 HB2 LYS 114 9.675 -8.569 -21.413 847 HB3 LYS 114 HB3 LYS 114 9.885 -10.119 -20.609 848 HG2 LYS 114 HG2 LYS 114 7.970 -10.988 -21.958 849 HG3 LYS 114 HG3 LYS 114 7.992 -9.467 -22.855 850 HD2 LYS 114 HD2 LYS 114 9.300 -10.822 -24.192 851 HD3 LYS 114 HD3 LYS 114 10.517 -10.024 -23.193 852 HE2 LYS 114 HE2 LYS 114 11.185 -12.225 -23.062 853 HE3 LYS 114 HE3 LYS 114 10.171 -12.081 -21.627 854 HZ1 LYS 114 HZ1 LYS 114 9.225 -13.918 -22.475 855 HZ2 LYS 114 HZ2 LYS 114 9.736 -13.606 -24.056 856 HZ3 LYS 114 HZ3 LYS 114 8.369 -12.822 -23.439 857 H ASN 115 H ASN 115 7.063 -8.105 -17.944 858 HA ASN 115 HA ASN 115 9.280 -8.715 -16.181 859 HB2 ASN 115 HB2 ASN 115 8.455 -5.873 -16.795 860 HB3 ASN 115 HB3 ASN 115 9.406 -6.324 -15.383 861 HD21 ASN 115 HD21 ASN 115 11.260 -7.948 -16.125 862 HD22 ASN 115 HD22 ASN 115 12.236 -7.326 -17.408 863 H SER 116 H SER 116 8.746 -7.784 -13.902 864 HA SER 116 HA SER 116 5.940 -8.455 -13.378 865 HB2 SER 116 HB2 SER 116 7.819 -9.729 -12.244 866 HB3 SER 116 HB3 SER 116 8.170 -8.250 -11.349 867 HG SER 116 HG SER 116 6.423 -10.077 -10.719 Start of MODEL 8 1 H1 MET 1 H MET 1 2.636 1.057 0.172 2 HA MET 1 HA MET 1 3.720 1.191 -1.822 3 HB2 MET 1 HB2 MET 1 4.349 -1.126 -1.192 4 HB3 MET 1 HB3 MET 1 2.949 -1.722 -2.074 5 HG2 MET 1 HG2 MET 1 3.879 -0.747 -4.140 6 HG3 MET 1 HG3 MET 1 5.309 -0.259 -3.233 7 HE1 MET 1 HE1 MET 1 6.663 -2.960 -5.475 8 HE2 MET 1 HE2 MET 1 6.351 -1.246 -5.200 9 HE3 MET 1 HE3 MET 1 7.502 -2.108 -4.178 10 HA PRO 2 HA PRO 2 -0.371 1.590 -4.031 11 HB2 PRO 2 HB2 PRO 2 -0.194 4.273 -4.403 12 HB3 PRO 2 HB3 PRO 2 -0.890 3.549 -2.949 13 HG2 PRO 2 HG2 PRO 2 1.852 4.668 -3.381 14 HG3 PRO 2 HG3 PRO 2 0.769 4.866 -1.991 15 HD2 PRO 2 HD2 PRO 2 2.836 3.118 -1.988 16 HD3 PRO 2 HD3 PRO 2 1.328 2.815 -1.102 17 H LEU 3 H LEU 3 -0.566 3.230 -6.112 18 HA LEU 3 HA LEU 3 1.789 2.619 -7.776 19 HB2 LEU 3 HB2 LEU 3 -0.048 1.253 -8.464 20 HB3 LEU 3 HB3 LEU 3 -1.138 2.638 -8.480 21 HG LEU 3 HG LEU 3 0.405 3.542 -10.345 22 HD11 LEU 3 HD11 LEU 3 1.988 2.239 -11.224 23 HD12 LEU 3 HD12 LEU 3 0.958 0.808 -11.184 24 HD13 LEU 3 HD13 LEU 3 1.854 1.289 -9.743 25 HD21 LEU 3 HD21 LEU 3 -1.172 2.878 -11.810 26 HD22 LEU 3 HD22 LEU 3 -1.969 2.262 -10.362 27 HD23 LEU 3 HD23 LEU 3 -1.016 1.176 -11.373 28 H ILE 4 H ILE 4 2.687 4.230 -8.931 29 HA ILE 4 HA ILE 4 1.295 6.828 -8.963 30 HB ILE 4 HB ILE 4 4.285 6.478 -8.774 31 HG12 ILE 4 HG12 ILE 4 3.358 5.661 -6.711 32 HG13 ILE 4 HG13 ILE 4 3.992 7.276 -6.414 33 HG21 ILE 4 HG21 ILE 4 2.492 8.884 -8.481 34 HG22 ILE 4 HG22 ILE 4 4.231 8.874 -8.188 35 HG23 ILE 4 HG23 ILE 4 3.607 8.556 -9.807 36 HD11 ILE 4 HD11 ILE 4 1.331 6.261 -6.063 37 HD12 ILE 4 HD12 ILE 4 2.032 7.788 -5.529 38 HD13 ILE 4 HD13 ILE 4 1.330 7.656 -7.141 39 H THR 5 H THR 5 1.227 7.903 -10.860 40 HA THR 5 HA THR 5 2.331 6.535 -13.199 41 HB THR 5 HB THR 5 0.309 8.778 -13.037 42 HG1 THR 5 HG1 THR 5 -0.830 7.046 -12.463 43 HG21 THR 5 HG21 THR 5 1.203 7.131 -15.407 44 HG22 THR 5 HG22 THR 5 1.592 8.829 -15.128 45 HG23 THR 5 HG23 THR 5 -0.079 8.341 -15.411 46 H PHE 6 H PHE 6 4.168 7.220 -14.059 47 HA PHE 6 HA PHE 6 5.130 9.909 -13.440 48 HB2 PHE 6 HB2 PHE 6 6.542 7.556 -14.714 49 HB3 PHE 6 HB3 PHE 6 7.294 9.100 -14.327 50 HD1 PHE 6 HD1 PHE 6 6.324 9.727 -11.694 51 HD2 PHE 6 HD2 PHE 6 7.431 5.955 -13.326 52 HE1 PHE 6 HE1 PHE 6 6.847 8.906 -9.434 53 HE2 PHE 6 HE2 PHE 6 7.954 5.128 -11.069 54 HZ PHE 6 HZ PHE 6 7.661 6.603 -9.119 55 H ILE 7 H ILE 7 5.521 11.458 -14.955 56 HA ILE 7 HA ILE 7 4.627 10.853 -17.697 57 HB ILE 7 HB ILE 7 4.615 13.560 -16.365 58 HG12 ILE 7 HG12 ILE 7 1.999 12.945 -16.674 59 HG13 ILE 7 HG13 ILE 7 2.651 11.343 -16.346 60 HG21 ILE 7 HG21 ILE 7 4.655 13.956 -18.643 61 HG22 ILE 7 HG22 ILE 7 3.714 12.512 -19.015 62 HG23 ILE 7 HG23 ILE 7 2.925 13.918 -18.301 63 HD11 ILE 7 HD11 ILE 7 3.840 12.762 -14.390 64 HD12 ILE 7 HD12 ILE 7 2.330 13.654 -14.570 65 HD13 ILE 7 HD13 ILE 7 2.297 11.927 -14.215 66 H SER 8 H SER 8 5.911 11.368 -19.394 67 HA SER 8 HA SER 8 8.610 12.313 -18.751 68 HB2 SER 8 HB2 SER 8 7.462 10.498 -20.781 69 HB3 SER 8 HB3 SER 8 8.765 11.539 -21.353 70 HG SER 8 HG SER 8 10.152 10.516 -20.105 71 HA PRO 9 HA PRO 9 8.201 16.163 -20.812 72 HB2 PRO 9 HB2 PRO 9 10.583 16.402 -22.092 73 HB3 PRO 9 HB3 PRO 9 10.416 16.546 -20.338 74 HG2 PRO 9 HG2 PRO 9 11.307 14.199 -21.970 75 HG3 PRO 9 HG3 PRO 9 11.982 14.831 -20.457 76 HD2 PRO 9 HD2 PRO 9 10.341 12.679 -20.533 77 HD3 PRO 9 HD3 PRO 9 10.372 13.808 -19.164 78 H ASP 10 H ASP 10 8.888 13.333 -22.701 79 HA ASP 10 HA ASP 10 8.542 14.601 -25.257 80 HB2 ASP 10 HB2 ASP 10 8.613 11.688 -24.448 81 HB3 ASP 10 HB3 ASP 10 8.517 12.249 -26.115 82 H GLY 11 H GLY 11 6.455 13.494 -22.825 83 HA2 GLY 11 HA2 GLY 11 4.112 14.073 -22.996 84 HA3 GLY 11 HA3 GLY 11 4.189 13.666 -24.704 85 H SER 12 H SER 12 5.907 11.465 -22.820 86 HA SER 12 HA SER 12 3.788 9.484 -23.175 87 HB2 SER 12 HB2 SER 12 6.749 9.271 -22.641 88 HB3 SER 12 HB3 SER 12 5.676 7.877 -22.521 89 HG SER 12 HG SER 12 6.154 7.761 -24.586 90 H ARG 13 H ARG 13 3.758 7.734 -21.396 91 HA ARG 13 HA ARG 13 4.152 8.819 -18.719 92 HB2 ARG 13 HB2 ARG 13 1.462 7.699 -19.485 93 HB3 ARG 13 HB3 ARG 13 1.905 8.556 -18.014 94 HG2 ARG 13 HG2 ARG 13 2.141 10.622 -19.239 95 HG3 ARG 13 HG3 ARG 13 1.829 9.785 -20.761 96 HD2 ARG 13 HD2 ARG 13 -0.417 9.403 -20.221 97 HD3 ARG 13 HD3 ARG 13 -0.151 9.728 -18.509 98 HE ARG 13 HE ARG 13 0.421 12.031 -20.044 99 HH11 ARG 13 HH11 ARG 13 -2.241 10.106 -18.893 100 HH12 ARG 13 HH12 ARG 13 -3.362 11.427 -18.882 101 HH21 ARG 13 HH21 ARG 13 -1.045 13.778 -20.035 102 HH22 ARG 13 HH22 ARG 13 -2.681 13.515 -19.533 103 H LYS 14 H LYS 14 4.262 7.248 -17.096 104 HA LYS 14 HA LYS 14 4.222 4.453 -18.021 105 HB2 LYS 14 HB2 LYS 14 6.212 5.470 -16.006 106 HB3 LYS 14 HB3 LYS 14 6.245 3.962 -16.911 107 HG2 LYS 14 HG2 LYS 14 7.798 5.105 -18.093 108 HG3 LYS 14 HG3 LYS 14 6.359 5.646 -18.962 109 HD2 LYS 14 HD2 LYS 14 6.295 7.604 -17.352 110 HD3 LYS 14 HD3 LYS 14 7.909 7.109 -16.836 111 HE2 LYS 14 HE2 LYS 14 7.907 8.890 -18.572 112 HE3 LYS 14 HE3 LYS 14 8.782 7.434 -19.044 113 HZ1 LYS 14 HZ1 LYS 14 7.278 6.935 -20.637 114 HZ2 LYS 14 HZ2 LYS 14 7.025 8.607 -20.616 115 HZ3 LYS 14 HZ3 LYS 14 5.966 7.581 -19.786 116 H THR 15 H THR 15 3.913 2.866 -16.319 117 HA THR 15 HA THR 15 2.741 3.915 -13.844 118 HB THR 15 HB THR 15 1.383 1.908 -15.654 119 HG1 THR 15 HG1 THR 15 1.248 4.341 -15.984 120 HG21 THR 15 HG21 THR 15 -0.406 1.896 -13.970 121 HG22 THR 15 HG22 THR 15 0.573 2.929 -12.928 122 HG23 THR 15 HG23 THR 15 1.112 1.293 -13.307 123 H TYR 16 H TYR 16 3.877 3.022 -12.258 124 HA TYR 16 HA TYR 16 4.269 0.132 -12.240 125 HB2 TYR 16 HB2 TYR 16 6.477 2.163 -12.225 126 HB3 TYR 16 HB3 TYR 16 6.680 0.636 -11.374 127 HD1 TYR 16 HD2 TYR 16 6.111 2.161 -14.691 128 HD2 TYR 16 HD1 TYR 16 7.104 -1.383 -12.557 129 HE1 TYR 16 HE2 TYR 16 6.765 1.080 -16.802 130 HE2 TYR 16 HE1 TYR 16 7.761 -2.474 -14.661 131 HH TYR 16 HH TYR 16 8.183 -2.158 -16.845 132 H GLU 17 H GLU 17 3.956 -0.721 -10.275 133 HA GLU 17 HA GLU 17 2.981 0.846 -8.154 134 HB2 GLU 17 HB2 GLU 17 3.869 -2.019 -8.363 135 HB3 GLU 17 HB3 GLU 17 3.362 -1.337 -6.824 136 HG2 GLU 17 HG2 GLU 17 1.175 -1.107 -7.486 137 HG3 GLU 17 HG3 GLU 17 1.588 -1.052 -9.199 138 H ALA 18 H ALA 18 4.090 2.153 -6.873 139 HA ALA 18 HA ALA 18 6.881 1.465 -6.224 140 HB1 ALA 18 HB1 ALA 18 7.272 3.851 -5.884 141 HB2 ALA 18 HB2 ALA 18 6.677 3.527 -7.513 142 HB3 ALA 18 HB3 ALA 18 5.590 4.189 -6.293 143 H TYR 19 H TYR 19 7.625 2.299 -4.079 144 HA TYR 19 HA TYR 19 5.692 1.527 -2.057 145 HB2 TYR 19 HB2 TYR 19 8.430 1.186 -2.325 146 HB3 TYR 19 HB3 TYR 19 8.291 2.420 -1.078 147 HD1 TYR 19 HD1 TYR 19 6.809 -0.887 -1.995 148 HD2 TYR 19 HD2 TYR 19 8.065 1.732 1.115 149 HE1 TYR 19 HE1 TYR 19 6.314 -2.632 -0.333 150 HE2 TYR 19 HE2 TYR 19 7.574 -0.006 2.784 151 HH TYR 19 HH TYR 19 6.551 -1.995 3.125 152 H ASP 20 H ASP 20 6.432 2.931 0.141 153 HA ASP 20 HA ASP 20 5.597 5.669 -0.544 154 HB2 ASP 20 HB2 ASP 20 4.827 5.744 1.871 155 HB3 ASP 20 HB3 ASP 20 3.933 4.652 0.817 156 H GLY 21 H GLY 21 7.535 6.703 -0.801 157 HA2 GLY 21 HA2 GLY 21 9.107 8.124 0.278 158 HA3 GLY 21 HA3 GLY 21 9.119 7.024 1.648 159 H GLU 22 H GLU 22 9.255 5.342 -1.260 160 HA GLU 22 HA GLU 22 12.148 4.956 -0.919 161 HB2 GLU 22 HB2 GLU 22 10.596 2.982 -0.683 162 HB3 GLU 22 HB3 GLU 22 10.219 3.160 -2.391 163 HG2 GLU 22 HG2 GLU 22 11.852 1.607 -2.555 164 HG3 GLU 22 HG3 GLU 22 12.856 3.055 -2.602 165 H THR 23 H THR 23 13.547 5.391 -2.526 166 HA THR 23 HA THR 23 12.757 7.024 -4.686 167 HB THR 23 HB THR 23 14.988 7.240 -3.808 168 HG1 THR 23 HG1 THR 23 16.124 7.160 -5.781 169 HG21 THR 23 HG21 THR 23 15.207 4.333 -4.514 170 HG22 THR 23 HG22 THR 23 15.593 5.139 -2.994 171 HG23 THR 23 HG23 THR 23 16.645 5.346 -4.394 172 H LEU 24 H LEU 24 13.156 6.575 -6.987 173 HA LEU 24 HA LEU 24 11.746 4.319 -7.872 174 HB2 LEU 24 HB2 LEU 24 13.070 6.604 -9.045 175 HB3 LEU 24 HB3 LEU 24 13.314 5.156 -10.019 176 HG LEU 24 HG LEU 24 10.787 4.875 -9.960 177 HD11 LEU 24 HD11 LEU 24 11.078 7.248 -8.340 178 HD12 LEU 24 HD12 LEU 24 9.664 6.229 -8.604 179 HD13 LEU 24 HD13 LEU 24 10.029 7.537 -9.728 180 HD21 LEU 24 HD21 LEU 24 11.421 5.512 -12.035 181 HD22 LEU 24 HD22 LEU 24 12.374 6.875 -11.447 182 HD23 LEU 24 HD23 LEU 24 10.619 7.012 -11.569 183 H LEU 25 H LEU 25 15.022 4.702 -6.979 184 HA LEU 25 HA LEU 25 16.377 2.892 -8.560 185 HB2 LEU 25 HB2 LEU 25 17.215 4.396 -6.649 186 HB3 LEU 25 HB3 LEU 25 16.818 3.039 -5.597 187 HG LEU 25 HG LEU 25 18.631 2.628 -7.941 188 HD11 LEU 25 HD11 LEU 25 19.733 4.446 -6.975 189 HD12 LEU 25 HD12 LEU 25 20.509 3.037 -6.252 190 HD13 LEU 25 HD13 LEU 25 19.311 3.950 -5.336 191 HD21 LEU 25 HD21 LEU 25 18.417 0.580 -7.051 192 HD22 LEU 25 HD22 LEU 25 17.824 1.200 -5.510 193 HD23 LEU 25 HD23 LEU 25 19.557 1.170 -5.841 194 H SER 26 H SER 26 14.136 2.292 -5.942 195 HA SER 26 HA SER 26 14.743 -0.482 -5.655 196 HB2 SER 26 HB2 SER 26 12.590 -0.548 -4.375 197 HB3 SER 26 HB3 SER 26 13.714 0.687 -3.808 198 HG SER 26 HG SER 26 11.410 1.037 -5.420 199 H LEU 27 H LEU 27 12.495 1.382 -7.596 200 HA LEU 27 HA LEU 27 10.861 -0.748 -8.457 201 HB2 LEU 27 HB2 LEU 27 10.994 2.006 -8.859 202 HB3 LEU 27 HB3 LEU 27 11.197 1.305 -10.464 203 HG LEU 27 HG LEU 27 9.077 0.129 -10.234 204 HD11 LEU 27 HD11 LEU 27 9.452 0.711 -7.468 205 HD12 LEU 27 HD12 LEU 27 8.237 -0.313 -8.233 206 HD13 LEU 27 HD13 LEU 27 7.921 1.406 -8.001 207 HD21 LEU 27 HD21 LEU 27 9.170 3.088 -9.832 208 HD22 LEU 27 HD22 LEU 27 7.616 2.258 -9.914 209 HD23 LEU 27 HD23 LEU 27 8.740 2.163 -11.271 210 H ALA 28 H ALA 28 13.893 0.568 -9.663 211 HA ALA 28 HA ALA 28 13.995 -0.746 -12.130 212 HB1 ALA 28 HB1 ALA 28 15.524 1.055 -11.516 213 HB2 ALA 28 HB2 ALA 28 16.290 0.006 -10.323 214 HB3 ALA 28 HB3 ALA 28 16.406 -0.379 -12.040 215 H HIS 29 H HIS 29 14.888 -1.824 -8.895 216 HA HIS 29 HA HIS 29 16.126 -4.247 -9.714 217 HB2 HIS 29 HB2 HIS 29 14.937 -3.399 -7.068 218 HB3 HIS 29 HB3 HIS 29 15.817 -4.905 -7.308 219 HD1 HIS 29 HD1 HIS 29 18.006 -3.490 -9.209 220 HD2 HIS 29 HD2 HIS 29 16.888 -2.351 -5.373 221 HE1 HIS 29 HE1 HIS 29 19.956 -2.189 -8.298 222 H ARG 30 H ARG 30 12.842 -3.275 -9.214 223 HA ARG 30 HA ARG 30 11.817 -5.967 -9.014 224 HB2 ARG 30 HB2 ARG 30 10.491 -3.270 -9.277 225 HB3 ARG 30 HB3 ARG 30 9.585 -4.777 -9.240 226 HG2 ARG 30 HG2 ARG 30 11.424 -3.805 -7.063 227 HG3 ARG 30 HG3 ARG 30 9.665 -3.668 -7.055 228 HD2 ARG 30 HD2 ARG 30 9.870 -5.598 -5.871 229 HD3 ARG 30 HD3 ARG 30 9.845 -6.279 -7.497 230 HE ARG 30 HE ARG 30 12.499 -5.717 -6.812 231 HH11 ARG 30 HH11 ARG 30 9.916 -7.863 -5.896 232 HH12 ARG 30 HH12 ARG 30 10.977 -9.134 -5.385 233 HH21 ARG 30 HH21 ARG 30 13.907 -7.382 -6.142 234 HH22 ARG 30 HH22 ARG 30 13.247 -8.859 -5.525 235 H ASN 31 H ASN 31 12.261 -3.538 -11.495 236 HA ASN 31 HA ASN 31 10.803 -5.126 -13.456 237 HB2 ASN 31 HB2 ASN 31 12.312 -2.616 -14.110 238 HB3 ASN 31 HB3 ASN 31 10.850 -3.257 -14.853 239 HD21 ASN 31 HD21 ASN 31 11.522 -0.620 -13.646 240 HD22 ASN 31 HD22 ASN 31 10.274 -0.332 -12.487 241 H ASN 32 H ASN 32 13.578 -5.667 -12.146 242 HA ASN 32 HA ASN 32 15.670 -6.374 -12.781 243 HB2 ASN 32 HB2 ASN 32 15.573 -8.171 -14.487 244 HB3 ASN 32 HB3 ASN 32 14.306 -8.325 -13.273 245 HD21 ASN 32 HD21 ASN 32 12.316 -8.617 -13.973 246 HD22 ASN 32 HD22 ASN 32 11.747 -8.294 -15.572 247 H VAL 33 H VAL 33 15.216 -3.797 -13.738 248 HA VAL 33 HA VAL 33 16.175 -3.792 -16.503 249 HB VAL 33 HB VAL 33 14.315 -2.274 -15.883 250 HG11 VAL 33 HG11 VAL 33 14.858 -0.249 -14.554 251 HG12 VAL 33 HG12 VAL 33 14.914 -1.742 -13.613 252 HG13 VAL 33 HG13 VAL 33 16.412 -0.977 -14.147 253 HG21 VAL 33 HG21 VAL 33 14.995 -0.667 -17.337 254 HG22 VAL 33 HG22 VAL 33 16.543 -0.429 -16.525 255 HG23 VAL 33 HG23 VAL 33 16.311 -1.814 -17.593 256 H ASP 34 H ASP 34 18.077 -2.729 -17.131 257 HA ASP 34 HA ASP 34 20.173 -2.801 -15.132 258 HB2 ASP 34 HB2 ASP 34 20.598 -3.789 -17.326 259 HB3 ASP 34 HB3 ASP 34 20.283 -2.240 -18.103 260 H LEU 35 H LEU 35 20.267 -1.068 -13.838 261 HA LEU 35 HA LEU 35 20.564 1.557 -15.105 262 HB2 LEU 35 HB2 LEU 35 18.542 0.741 -13.099 263 HB3 LEU 35 HB3 LEU 35 19.297 2.319 -12.883 264 HG LEU 35 HG LEU 35 17.915 1.483 -15.426 265 HD11 LEU 35 HD11 LEU 35 16.578 3.415 -13.677 266 HD12 LEU 35 HD12 LEU 35 16.628 1.768 -13.048 267 HD13 LEU 35 HD13 LEU 35 15.912 2.088 -14.628 268 HD21 LEU 35 HD21 LEU 35 18.240 3.610 -16.163 269 HD22 LEU 35 HD22 LEU 35 19.666 3.459 -15.135 270 HD23 LEU 35 HD23 LEU 35 18.232 4.296 -14.538 271 H GLU 36 H GLU 36 22.195 2.739 -14.295 272 HA GLU 36 HA GLU 36 24.032 1.582 -12.489 273 HB2 GLU 36 HB2 GLU 36 23.782 4.406 -13.531 274 HB3 GLU 36 HB3 GLU 36 25.134 3.838 -12.562 275 HG2 GLU 36 HG2 GLU 36 25.457 2.057 -14.349 276 HG3 GLU 36 HG3 GLU 36 24.353 3.014 -15.336 277 H GLY 37 H GLY 37 24.338 1.816 -10.339 278 HA2 GLY 37 HA2 GLY 37 24.054 3.468 -8.439 279 HA3 GLY 37 HA3 GLY 37 22.359 3.473 -8.904 280 H ALA 38 H ALA 38 23.681 2.704 -6.368 281 HA ALA 38 HA ALA 38 22.443 0.053 -6.127 282 HB1 ALA 38 HB1 ALA 38 25.143 0.310 -6.180 283 HB2 ALA 38 HB2 ALA 38 24.821 0.436 -4.450 284 HB3 ALA 38 HB3 ALA 38 24.277 -0.982 -5.347 285 H CYS 39 H CYS 39 21.115 -0.128 -4.430 286 HA CYS 39 HA CYS 39 20.803 2.147 -2.666 287 HB2 CYS 39 HB2 CYS 39 18.821 1.062 -3.633 288 HB3 CYS 39 HB3 CYS 39 19.247 -0.442 -2.827 289 HG CYS 39 HG CYS 39 17.632 2.214 -1.645 290 H GLU 40 H GLU 40 21.061 2.150 -0.450 291 HA GLU 40 HA GLU 40 22.545 -0.146 0.650 292 HB2 GLU 40 HB2 GLU 40 23.699 2.159 0.369 293 HB3 GLU 40 HB3 GLU 40 22.729 2.641 1.753 294 HG2 GLU 40 HG2 GLU 40 24.888 1.981 2.524 295 HG3 GLU 40 HG3 GLU 40 23.713 0.773 3.041 296 H GLY 41 H GLY 41 21.310 -1.305 1.972 297 HA2 GLY 41 HA2 GLY 41 19.983 -1.810 3.787 298 HA3 GLY 41 HA3 GLY 41 20.051 -0.114 4.242 299 H SER 42 H SER 42 17.751 -1.715 4.485 300 HA SER 42 HA SER 42 16.009 -0.948 2.277 301 HB2 SER 42 HB2 SER 42 15.340 -2.517 4.778 302 HB3 SER 42 HB3 SER 42 14.332 -2.352 3.340 303 HG SER 42 HG SER 42 15.464 -4.310 3.289 304 H LEU 43 H LEU 43 15.163 1.022 2.312 305 HA LEU 43 HA LEU 43 14.785 2.429 4.824 306 HB2 LEU 43 HB2 LEU 43 15.725 3.430 2.666 307 HB3 LEU 43 HB3 LEU 43 14.059 3.438 2.090 308 HG LEU 43 HG LEU 43 14.724 4.784 4.672 309 HD11 LEU 43 HD11 LEU 43 14.806 6.479 2.276 310 HD12 LEU 43 HD12 LEU 43 16.195 5.413 2.489 311 HD13 LEU 43 HD13 LEU 43 15.758 6.555 3.759 312 HD21 LEU 43 HD21 LEU 43 12.492 4.992 4.423 313 HD22 LEU 43 HD22 LEU 43 12.555 4.766 2.675 314 HD23 LEU 43 HD23 LEU 43 12.949 6.336 3.377 315 H ALA 44 H ALA 44 13.026 1.757 5.911 316 HA ALA 44 HA ALA 44 10.450 1.851 4.485 317 HB1 ALA 44 HB1 ALA 44 9.638 0.005 5.846 318 HB2 ALA 44 HB2 ALA 44 11.068 -0.476 4.933 319 HB3 ALA 44 HB3 ALA 44 11.203 -0.107 6.652 320 H CYS 45 H CYS 45 9.445 3.617 5.201 321 HA CYS 45 HA CYS 45 9.230 4.008 8.100 322 HB2 CYS 45 HB2 CYS 45 9.938 6.124 6.063 323 HB3 CYS 45 HB3 CYS 45 9.388 6.495 7.693 324 HG CYS 45 HG CYS 45 11.726 6.442 8.728 325 H SER 46 H SER 46 7.586 6.059 8.324 326 HA SER 46 HA SER 46 5.254 5.365 6.660 327 HB2 SER 46 HB2 SER 46 5.130 6.287 9.536 328 HB3 SER 46 HB3 SER 46 3.817 5.632 8.558 329 HG SER 46 HG SER 46 4.421 3.859 9.563 330 H THR 47 H THR 47 6.416 7.924 8.858 331 HA THR 47 HA THR 47 5.097 9.911 7.148 332 HB THR 47 HB THR 47 5.865 11.426 9.183 333 HG1 THR 47 HG1 THR 47 6.703 10.245 10.721 334 HG21 THR 47 HG21 THR 47 3.698 10.954 10.272 335 HG22 THR 47 HG22 THR 47 3.536 9.505 9.281 336 HG23 THR 47 HG23 THR 47 3.552 11.096 8.521 337 H CYS 48 H CYS 48 6.291 10.981 5.727 338 HA CYS 48 HA CYS 48 9.018 11.757 6.427 339 HB2 CYS 48 HB2 CYS 48 8.323 10.357 3.837 340 HB3 CYS 48 HB3 CYS 48 9.899 11.010 4.265 341 HG CYS 48 HG CYS 48 10.704 9.062 5.819 342 H HIS 49 H HIS 49 9.845 12.971 4.191 343 HA HIS 49 HA HIS 49 8.427 15.391 4.175 344 HB2 HIS 49 HB2 HIS 49 9.980 16.141 2.552 345 HB3 HIS 49 HB3 HIS 49 10.869 15.005 3.562 346 HD1 HIS 49 HD1 HIS 49 9.803 15.619 0.093 347 HD2 HIS 49 HD2 HIS 49 11.381 12.473 2.301 348 HE1 HIS 49 HE1 HIS 49 10.625 13.954 -1.602 349 H VAL 50 H VAL 50 8.157 16.246 1.608 350 HA VAL 50 HA VAL 50 6.157 14.431 0.429 351 HB VAL 50 HB VAL 50 4.902 16.542 -0.242 352 HG11 VAL 50 HG11 VAL 50 3.519 16.339 1.571 353 HG12 VAL 50 HG12 VAL 50 4.479 14.868 1.748 354 HG13 VAL 50 HG13 VAL 50 4.854 16.290 2.723 355 HG21 VAL 50 HG21 VAL 50 6.069 17.901 2.115 356 HG22 VAL 50 HG22 VAL 50 7.034 17.889 0.638 357 HG23 VAL 50 HG23 VAL 50 5.411 18.578 0.625 358 H ILE 51 H ILE 51 6.017 14.399 -1.797 359 HA ILE 51 HA ILE 51 7.791 16.160 -3.320 360 HB ILE 51 HB ILE 51 9.241 14.339 -3.127 361 HG12 ILE 51 HG12 ILE 51 7.659 13.753 -5.637 362 HG13 ILE 51 HG13 ILE 51 8.830 15.057 -5.479 363 HG21 ILE 51 HG21 ILE 51 6.902 12.501 -3.619 364 HG22 ILE 51 HG22 ILE 51 8.572 12.001 -3.358 365 HG23 ILE 51 HG23 ILE 51 7.678 12.797 -2.063 366 HD11 ILE 51 HD11 ILE 51 9.243 12.173 -5.843 367 HD12 ILE 51 HD12 ILE 51 10.221 13.543 -6.372 368 HD13 ILE 51 HD13 ILE 51 10.337 12.966 -4.709 369 H ILE 52 H ILE 52 6.488 17.123 -4.727 370 HA ILE 52 HA ILE 52 4.547 15.464 -6.194 371 HB ILE 52 HB ILE 52 3.261 17.768 -6.335 372 HG12 ILE 52 HG12 ILE 52 3.384 18.997 -4.206 373 HG13 ILE 52 HG13 ILE 52 4.691 17.946 -3.673 374 HG21 ILE 52 HG21 ILE 52 3.119 15.454 -4.605 375 HG22 ILE 52 HG22 ILE 52 2.416 16.882 -3.846 376 HG23 ILE 52 HG23 ILE 52 1.825 16.338 -5.416 377 HD11 ILE 52 HD11 ILE 52 6.230 19.036 -4.888 378 HD12 ILE 52 HD12 ILE 52 5.129 19.307 -6.239 379 HD13 ILE 52 HD13 ILE 52 5.055 20.348 -4.818 380 H ASP 53 H ASP 53 3.918 16.371 -8.299 381 HA ASP 53 HA ASP 53 6.086 16.928 -9.927 382 HB2 ASP 53 HB2 ASP 53 4.314 17.755 -11.577 383 HB3 ASP 53 HB3 ASP 53 4.138 16.108 -10.978 384 HA PRO 54 HA PRO 54 6.993 21.204 -9.567 385 HB2 PRO 54 HB2 PRO 54 7.609 21.863 -12.128 386 HB3 PRO 54 HB3 PRO 54 8.662 20.871 -11.112 387 HG2 PRO 54 HG2 PRO 54 6.717 20.021 -13.223 388 HG3 PRO 54 HG3 PRO 54 8.360 19.430 -12.911 389 HD2 PRO 54 HD2 PRO 54 6.152 18.092 -12.097 390 HD3 PRO 54 HD3 PRO 54 7.676 18.061 -11.188 391 H SER 55 H SER 55 4.396 20.145 -11.539 392 HA SER 55 HA SER 55 3.489 22.792 -12.264 393 HB2 SER 55 HB2 SER 55 3.139 20.524 -13.543 394 HB3 SER 55 HB3 SER 55 1.756 20.353 -12.462 395 HG SER 55 HG SER 55 1.442 21.467 -14.576 396 H TRP 56 H TRP 56 2.987 20.516 -9.707 397 HA TRP 56 HA TRP 56 0.659 21.994 -8.720 398 HB2 TRP 56 HB2 TRP 56 1.242 19.289 -8.752 399 HB3 TRP 56 HB3 TRP 56 1.571 19.752 -7.085 400 HD1 TRP 56 HD1 TRP 56 -0.468 19.994 -5.519 401 HE1 TRP 56 HE1 TRP 56 -3.021 19.908 -5.833 402 HE3 TRP 56 HE3 TRP 56 -0.655 19.939 -10.627 403 HZ2 TRP 56 HZ2 TRP 56 -4.870 19.827 -7.964 404 HZ3 TRP 56 HZ3 TRP 56 -2.855 19.856 -11.726 405 HH2 TRP 56 HH2 TRP 56 -4.918 19.801 -10.420 406 H TYR 57 H TYR 57 4.025 21.475 -8.111 407 HA TYR 57 HA TYR 57 4.248 22.127 -5.427 408 HB2 TYR 57 HB2 TYR 57 6.187 21.354 -6.564 409 HB3 TYR 57 HB3 TYR 57 6.095 22.647 -7.755 410 HD1 TYR 57 HD2 TYR 57 6.704 21.998 -4.145 411 HD2 TYR 57 HD1 TYR 57 7.264 24.649 -7.426 412 HE1 TYR 57 HE2 TYR 57 8.236 23.354 -2.780 413 HE2 TYR 57 HE1 TYR 57 8.799 26.011 -6.070 414 HH TYR 57 HH TYR 57 10.281 25.038 -3.432 415 H ASP 58 H ASP 58 3.852 24.221 -8.223 416 HA ASP 58 HA ASP 58 4.340 26.666 -6.865 417 HB2 ASP 58 HB2 ASP 58 4.511 26.544 -9.284 418 HB3 ASP 58 HB3 ASP 58 2.814 26.092 -9.412 419 H ILE 59 H ILE 59 1.591 24.581 -7.138 420 HA ILE 59 HA ILE 59 -0.332 26.564 -6.321 421 HB ILE 59 HB ILE 59 -0.576 23.557 -6.478 422 HG12 ILE 59 HG12 ILE 59 -1.650 25.670 -8.355 423 HG13 ILE 59 HG13 ILE 59 -0.154 24.786 -8.633 424 HG21 ILE 59 HG21 ILE 59 -2.625 25.702 -5.970 425 HG22 ILE 59 HG22 ILE 59 -3.038 24.062 -6.468 426 HG23 ILE 59 HG23 ILE 59 -2.207 24.335 -4.937 427 HD11 ILE 59 HD11 ILE 59 -1.779 23.695 -9.914 428 HD12 ILE 59 HD12 ILE 59 -1.557 22.678 -8.491 429 HD13 ILE 59 HD13 ILE 59 -2.961 23.738 -8.606 430 H VAL 60 H VAL 60 1.161 23.710 -4.804 431 HA VAL 60 HA VAL 60 -0.053 24.073 -2.277 432 HB VAL 60 HB VAL 60 1.744 22.555 -1.436 433 HG11 VAL 60 HG11 VAL 60 -0.363 22.019 -3.222 434 HG12 VAL 60 HG12 VAL 60 0.988 20.995 -3.713 435 HG13 VAL 60 HG13 VAL 60 0.379 20.919 -2.059 436 HG21 VAL 60 HG21 VAL 60 3.536 21.910 -2.673 437 HG22 VAL 60 HG22 VAL 60 2.675 22.060 -4.204 438 HG23 VAL 60 HG23 VAL 60 3.291 23.501 -3.395 439 H GLU 61 H GLU 61 2.619 25.594 -3.816 440 HA GLU 61 HA GLU 61 3.895 26.480 -1.390 441 HB2 GLU 61 HB2 GLU 61 5.245 26.141 -3.378 442 HB3 GLU 61 HB3 GLU 61 4.275 27.302 -4.273 443 HG2 GLU 61 HG2 GLU 61 5.019 29.048 -2.644 444 HG3 GLU 61 HG3 GLU 61 6.134 27.856 -1.978 445 H GLN 62 H GLN 62 1.551 27.734 -3.665 446 HA GLN 62 HA GLN 62 1.590 30.380 -2.477 447 HB2 GLN 62 HB2 GLN 62 -0.072 30.957 -4.144 448 HB3 GLN 62 HB3 GLN 62 1.256 30.095 -4.909 449 HG2 GLN 62 HG2 GLN 62 -0.028 28.110 -5.098 450 HG3 GLN 62 HG3 GLN 62 -1.303 28.764 -4.071 451 HE21 GLN 62 HE21 GLN 62 0.056 28.665 -7.233 452 HE22 GLN 62 HE22 GLN 62 -1.188 29.560 -8.032 453 H HIS 63 H HIS 63 -0.280 27.448 -2.314 454 HA HIS 63 HA HIS 63 -2.413 28.724 -0.800 455 HB2 HIS 63 HB2 HIS 63 -1.972 25.945 -1.863 456 HB3 HIS 63 HB3 HIS 63 -3.241 26.276 -0.687 457 HD1 HIS 63 HD1 HIS 63 -3.884 25.301 -3.554 458 HD2 HIS 63 HD2 HIS 63 -3.840 29.283 -2.371 459 HE1 HIS 63 HE1 HIS 63 -5.356 26.507 -5.198 460 H ASN 64 H ASN 64 0.570 28.020 0.004 461 HA ASN 64 HA ASN 64 -0.156 27.317 2.749 462 HB2 ASN 64 HB2 ASN 64 0.736 25.329 1.222 463 HB3 ASN 64 HB3 ASN 64 2.295 26.032 1.639 464 HD21 ASN 64 HD21 ASN 64 1.238 23.455 2.372 465 HD22 ASN 64 HD22 ASN 64 1.192 23.410 4.099 466 H GLU 65 H GLU 65 1.267 28.092 4.328 467 HA GLU 65 HA GLU 65 3.099 30.173 3.357 468 HB2 GLU 65 HB2 GLU 65 2.811 31.274 5.465 469 HB3 GLU 65 HB3 GLU 65 1.217 30.845 4.861 470 HG2 GLU 65 HG2 GLU 65 0.782 29.771 6.738 471 HG3 GLU 65 HG3 GLU 65 2.151 28.697 6.456 472 H ILE 66 H ILE 66 5.102 30.519 4.553 473 HA ILE 66 HA ILE 66 6.195 27.987 5.590 474 HB ILE 66 HB ILE 66 8.436 28.948 4.903 475 HG12 ILE 66 HG12 ILE 66 6.657 30.819 3.324 476 HG13 ILE 66 HG13 ILE 66 7.706 31.285 4.658 477 HG21 ILE 66 HG21 ILE 66 8.305 27.704 3.045 478 HG22 ILE 66 HG22 ILE 66 6.642 27.406 3.549 479 HG23 ILE 66 HG23 ILE 66 6.993 28.672 2.374 480 HD11 ILE 66 HD11 ILE 66 9.225 31.737 3.106 481 HD12 ILE 66 HD12 ILE 66 9.411 29.992 2.928 482 HD13 ILE 66 HD13 ILE 66 8.323 30.877 1.859 483 H SER 67 H SER 67 6.974 27.960 7.600 484 HA SER 67 HA SER 67 6.885 30.397 9.166 485 HB2 SER 67 HB2 SER 67 7.674 27.635 10.107 486 HB3 SER 67 HB3 SER 67 7.112 28.987 11.091 487 HG SER 67 HG SER 67 5.506 27.334 10.589 488 H ASP 68 H ASP 68 8.778 30.261 11.000 489 HA ASP 68 HA ASP 68 11.073 31.243 9.753 490 HB2 ASP 68 HB2 ASP 68 10.434 30.344 12.536 491 HB3 ASP 68 HB3 ASP 68 12.106 30.705 12.113 492 H GLU 69 H GLU 69 10.278 28.008 10.883 493 HA GLU 69 HA GLU 69 12.925 26.986 10.357 494 HB2 GLU 69 HB2 GLU 69 11.983 24.814 10.980 495 HB3 GLU 69 HB3 GLU 69 11.587 26.042 12.174 496 HG2 GLU 69 HG2 GLU 69 9.375 26.280 10.893 497 HG3 GLU 69 HG3 GLU 69 9.802 24.735 10.160 498 H GLU 70 H GLU 70 9.759 26.920 8.805 499 HA GLU 70 HA GLU 70 10.406 25.076 6.768 500 HB2 GLU 70 HB2 GLU 70 8.104 26.135 7.562 501 HB3 GLU 70 HB3 GLU 70 8.440 27.257 6.250 502 HG2 GLU 70 HG2 GLU 70 8.169 25.674 4.635 503 HG3 GLU 70 HG3 GLU 70 8.665 24.352 5.690 504 H ASN 71 H ASN 71 10.110 28.629 6.588 505 HA ASN 71 HA ASN 71 11.098 28.931 4.007 506 HB2 ASN 71 HB2 ASN 71 9.991 30.762 5.130 507 HB3 ASN 71 HB3 ASN 71 11.246 30.818 6.365 508 HD21 ASN 71 HD21 ASN 71 13.029 31.998 6.016 509 HD22 ASN 71 HD22 ASN 71 13.364 32.864 4.559 510 H ASP 72 H ASP 72 12.762 28.309 6.977 511 HA ASP 72 HA ASP 72 15.354 29.107 6.005 512 HB2 ASP 72 HB2 ASP 72 14.998 29.286 8.363 513 HB3 ASP 72 HB3 ASP 72 14.454 27.614 8.471 514 H MET 73 H MET 73 13.629 26.057 6.520 515 HA MET 73 HA MET 73 15.643 24.252 5.973 516 HB2 MET 73 HB2 MET 73 12.680 24.209 5.574 517 HB3 MET 73 HB3 MET 73 13.647 22.891 4.926 518 HG2 MET 73 HG2 MET 73 13.786 23.757 7.797 519 HG3 MET 73 HG3 MET 73 12.657 22.536 7.212 520 HE1 MET 73 HE1 MET 73 13.622 19.940 8.075 521 HE2 MET 73 HE2 MET 73 15.034 20.287 9.073 522 HE3 MET 73 HE3 MET 73 13.617 21.334 9.156 523 H LEU 74 H LEU 74 13.656 26.102 3.723 524 HA LEU 74 HA LEU 74 14.424 24.818 1.352 525 HB2 LEU 74 HB2 LEU 74 12.544 26.326 1.423 526 HB3 LEU 74 HB3 LEU 74 13.597 27.672 1.853 527 HG LEU 74 HG LEU 74 14.687 26.946 -0.508 528 HD11 LEU 74 HD11 LEU 74 12.833 25.217 -0.712 529 HD12 LEU 74 HD12 LEU 74 13.075 26.297 -2.083 530 HD13 LEU 74 HD13 LEU 74 11.742 26.580 -0.964 531 HD21 LEU 74 HD21 LEU 74 13.819 29.181 0.346 532 HD22 LEU 74 HD22 LEU 74 12.276 28.735 -0.383 533 HD23 LEU 74 HD23 LEU 74 13.715 28.894 -1.391 534 H ASP 75 H ASP 75 15.971 27.321 3.255 535 HA ASP 75 HA ASP 75 17.904 28.074 1.317 536 HB2 ASP 75 HB2 ASP 75 17.208 28.833 3.969 537 HB3 ASP 75 HB3 ASP 75 18.929 28.457 3.955 538 H LEU 76 H LEU 76 17.652 25.444 3.549 539 HA LEU 76 HA LEU 76 20.469 24.762 3.353 540 HB2 LEU 76 HB2 LEU 76 18.128 23.735 4.879 541 HB3 LEU 76 HB3 LEU 76 19.504 22.664 4.623 542 HG LEU 76 HG LEU 76 20.961 24.311 5.739 543 HD11 LEU 76 HD11 LEU 76 18.444 25.875 5.738 544 HD12 LEU 76 HD12 LEU 76 20.116 26.411 5.566 545 HD13 LEU 76 HD13 LEU 76 19.481 25.999 7.159 546 HD21 LEU 76 HD21 LEU 76 19.204 22.533 6.880 547 HD22 LEU 76 HD22 LEU 76 18.908 24.017 7.787 548 HD23 LEU 76 HD23 LEU 76 20.537 23.342 7.705 549 H ALA 77 H ALA 77 17.465 23.942 1.856 550 HA ALA 77 HA ALA 77 18.079 21.391 0.857 551 HB1 ALA 77 HB1 ALA 77 15.869 21.809 0.567 552 HB2 ALA 77 HB2 ALA 77 16.126 23.513 0.188 553 HB3 ALA 77 HB3 ALA 77 16.429 22.281 -1.037 554 H PHE 78 H PHE 78 20.128 21.239 0.012 555 HA PHE 78 HA PHE 78 20.662 22.848 -2.399 556 HB2 PHE 78 HB2 PHE 78 22.203 23.147 -0.379 557 HB3 PHE 78 HB3 PHE 78 22.777 21.516 -0.712 558 HD1 PHE 78 HD2 PHE 78 23.938 21.033 -2.846 559 HD2 PHE 78 HD1 PHE 78 22.907 24.993 -1.677 560 HE1 PHE 78 HE2 PHE 78 25.535 21.930 -4.490 561 HE2 PHE 78 HE1 PHE 78 24.501 25.897 -3.319 562 HZ PHE 78 HZ PHE 78 25.817 24.365 -4.729 563 H GLY 79 H GLY 79 20.794 21.787 -4.266 564 HA2 GLY 79 HA2 GLY 79 21.493 20.049 -5.697 565 HA3 GLY 79 HA3 GLY 79 21.680 19.002 -4.297 566 H LEU 80 H LEU 80 18.932 19.943 -3.387 567 HA LEU 80 HA LEU 80 17.476 17.787 -4.550 568 HB2 LEU 80 HB2 LEU 80 17.291 18.925 -2.199 569 HB3 LEU 80 HB3 LEU 80 16.150 19.984 -3.025 570 HG LEU 80 HG LEU 80 14.902 17.871 -3.691 571 HD11 LEU 80 HD11 LEU 80 16.420 16.140 -3.331 572 HD12 LEU 80 HD12 LEU 80 15.301 16.010 -1.975 573 HD13 LEU 80 HD13 LEU 80 16.884 16.750 -1.742 574 HD21 LEU 80 HD21 LEU 80 13.885 17.656 -1.395 575 HD22 LEU 80 HD22 LEU 80 13.957 19.293 -2.049 576 HD23 LEU 80 HD23 LEU 80 15.124 18.777 -0.830 577 H THR 81 H THR 81 15.346 18.022 -5.578 578 HA THR 81 HA THR 81 15.483 19.969 -7.715 579 HB THR 81 HB THR 81 13.318 18.779 -8.444 580 HG1 THR 81 HG1 THR 81 12.617 17.229 -7.189 581 HG21 THR 81 HG21 THR 81 14.936 18.018 -9.805 582 HG22 THR 81 HG22 THR 81 14.919 16.582 -8.781 583 HG23 THR 81 HG23 THR 81 16.097 17.861 -8.488 584 H ASP 82 H ASP 82 13.603 21.255 -8.344 585 HA ASP 82 HA ASP 82 12.551 22.699 -6.105 586 HB2 ASP 82 HB2 ASP 82 11.781 22.976 -9.016 587 HB3 ASP 82 HB3 ASP 82 11.561 24.170 -7.740 588 H THR 83 H THR 83 11.618 19.878 -7.585 589 HA THR 83 HA THR 83 8.752 20.298 -7.217 590 HB THR 83 HB THR 83 8.371 18.347 -8.434 591 HG1 THR 83 HG1 THR 83 10.244 16.866 -8.818 592 HG21 THR 83 HG21 THR 83 10.981 18.946 -9.731 593 HG22 THR 83 HG22 THR 83 9.804 20.253 -9.598 594 HG23 THR 83 HG23 THR 83 9.379 18.767 -10.445 595 H SER 84 H SER 84 11.455 18.931 -5.605 596 HA SER 84 HA SER 84 9.748 17.345 -3.829 597 HB2 SER 84 HB2 SER 84 11.789 16.279 -4.765 598 HB3 SER 84 HB3 SER 84 12.771 17.491 -3.942 599 HG SER 84 HG SER 84 12.669 15.673 -2.651 600 H ARG 85 H ARG 85 9.242 17.998 -1.838 601 HA ARG 85 HA ARG 85 10.551 20.425 -0.814 602 HB2 ARG 85 HB2 ARG 85 7.772 19.383 -0.685 603 HB3 ARG 85 HB3 ARG 85 8.364 20.252 0.724 604 HG2 ARG 85 HG2 ARG 85 8.795 22.210 -0.582 605 HG3 ARG 85 HG3 ARG 85 8.428 21.347 -2.077 606 HD2 ARG 85 HD2 ARG 85 6.555 22.748 -1.409 607 HD3 ARG 85 HD3 ARG 85 6.118 21.042 -1.330 608 HE ARG 85 HE ARG 85 5.778 21.284 0.914 609 HH11 ARG 85 HH11 ARG 85 7.738 23.931 -0.215 610 HH12 ARG 85 HH12 ARG 85 7.707 24.771 1.300 611 HH21 ARG 85 HH21 ARG 85 5.730 22.381 2.913 612 HH22 ARG 85 HH22 ARG 85 6.565 23.888 3.079 613 H LEU 86 H LEU 86 11.501 20.443 1.159 614 HA LEU 86 HA LEU 86 12.611 19.588 2.958 615 HB2 LEU 86 HB2 LEU 86 9.913 19.400 3.391 616 HB3 LEU 86 HB3 LEU 86 10.463 17.761 3.733 617 HG LEU 86 HG LEU 86 10.375 18.994 5.786 618 HD11 LEU 86 HD11 LEU 86 12.664 18.766 6.553 619 HD12 LEU 86 HD12 LEU 86 13.241 18.737 4.887 620 HD13 LEU 86 HD13 LEU 86 12.236 17.422 5.494 621 HD21 LEU 86 HD21 LEU 86 12.441 20.933 5.367 622 HD22 LEU 86 HD22 LEU 86 10.780 21.171 5.912 623 HD23 LEU 86 HD23 LEU 86 11.151 21.170 4.187 624 H GLY 87 H GLY 87 12.860 18.128 0.429 625 HA2 GLY 87 HA2 GLY 87 13.239 15.374 1.401 626 HA3 GLY 87 HA3 GLY 87 13.133 15.849 -0.288 627 H CYS 88 H CYS 88 15.137 14.272 0.116 628 HA CYS 88 HA CYS 88 17.480 16.039 0.112 629 HB2 CYS 88 HB2 CYS 88 18.750 14.149 1.253 630 HB3 CYS 88 HB3 CYS 88 17.632 15.059 2.262 631 HG CYS 88 HG CYS 88 17.708 12.177 2.732 632 H GLN 89 H GLN 89 16.142 12.871 -0.723 633 HA GLN 89 HA GLN 89 17.948 12.819 -3.050 634 HB2 GLN 89 HB2 GLN 89 18.216 11.067 -1.092 635 HB3 GLN 89 HB3 GLN 89 16.866 10.283 -1.902 636 HG2 GLN 89 HG2 GLN 89 18.284 10.461 -4.025 637 HG3 GLN 89 HG3 GLN 89 19.628 10.799 -2.935 638 HE21 GLN 89 HE21 GLN 89 16.916 8.513 -3.140 639 HE22 GLN 89 HE22 GLN 89 17.851 7.109 -2.763 640 H ILE 90 H ILE 90 15.064 13.709 -2.512 641 HA ILE 90 HA ILE 90 13.011 13.593 -3.507 642 HB ILE 90 HB ILE 90 14.127 12.573 -6.045 643 HG12 ILE 90 HG12 ILE 90 15.077 15.159 -4.795 644 HG13 ILE 90 HG13 ILE 90 16.073 13.764 -5.195 645 HG21 ILE 90 HG21 ILE 90 11.979 14.180 -5.159 646 HG22 ILE 90 HG22 ILE 90 13.007 15.190 -6.175 647 HG23 ILE 90 HG23 ILE 90 12.359 13.676 -6.806 648 HD11 ILE 90 HD11 ILE 90 16.449 14.643 -7.184 649 HD12 ILE 90 HD12 ILE 90 14.728 14.526 -7.551 650 HD13 ILE 90 HD13 ILE 90 15.375 15.992 -6.815 651 H ILE 91 H ILE 91 12.180 11.840 -2.314 652 HA ILE 91 HA ILE 91 12.084 9.302 -3.812 653 HB ILE 91 HB ILE 91 11.585 8.267 -1.520 654 HG12 ILE 91 HG12 ILE 91 12.901 10.842 -0.628 655 HG13 ILE 91 HG13 ILE 91 11.226 10.392 -0.326 656 HG21 ILE 91 HG21 ILE 91 14.348 9.036 -1.248 657 HG22 ILE 91 HG22 ILE 91 13.655 7.480 -1.700 658 HG23 ILE 91 HG23 ILE 91 13.949 8.705 -2.933 659 HD11 ILE 91 HD11 ILE 91 13.041 8.347 0.588 660 HD12 ILE 91 HD12 ILE 91 13.404 9.914 1.313 661 HD13 ILE 91 HD13 ILE 91 11.789 9.224 1.467 662 H LEU 92 H LEU 92 10.144 8.935 -4.638 663 HA LEU 92 HA LEU 92 7.854 10.397 -4.228 664 HB2 LEU 92 HB2 LEU 92 6.668 8.706 -5.380 665 HB3 LEU 92 HB3 LEU 92 8.295 8.747 -6.057 666 HG LEU 92 HG LEU 92 8.333 6.807 -4.018 667 HD11 LEU 92 HD11 LEU 92 5.845 6.866 -4.194 668 HD12 LEU 92 HD12 LEU 92 6.567 5.305 -4.582 669 HD13 LEU 92 HD13 LEU 92 6.006 6.362 -5.877 670 HD21 LEU 92 HD21 LEU 92 8.237 6.568 -7.023 671 HD22 LEU 92 HD22 LEU 92 8.714 5.280 -5.917 672 HD23 LEU 92 HD23 LEU 92 9.680 6.752 -6.025 673 H THR 93 H THR 93 5.736 9.549 -3.342 674 HA THR 93 HA THR 93 6.061 7.939 -0.919 675 HB THR 93 HB THR 93 5.767 9.613 0.517 676 HG1 THR 93 HG1 THR 93 3.844 10.860 0.432 677 HG21 THR 93 HG21 THR 93 7.088 10.910 -1.098 678 HG22 THR 93 HG22 THR 93 5.940 11.932 -0.232 679 HG23 THR 93 HG23 THR 93 5.602 11.432 -1.889 680 H LYS 94 H LYS 94 3.884 7.463 0.091 681 HA LYS 94 HA LYS 94 2.151 6.422 -1.923 682 HB2 LYS 94 HB2 LYS 94 2.158 5.042 -0.087 683 HB3 LYS 94 HB3 LYS 94 2.253 6.378 1.052 684 HG2 LYS 94 HG2 LYS 94 -0.051 6.807 0.908 685 HG3 LYS 94 HG3 LYS 94 -0.226 5.816 -0.542 686 HD2 LYS 94 HD2 LYS 94 0.862 4.364 1.750 687 HD3 LYS 94 HD3 LYS 94 -0.761 5.001 2.021 688 HE2 LYS 94 HE2 LYS 94 -0.549 3.828 -0.602 689 HE3 LYS 94 HE3 LYS 94 -0.050 2.676 0.636 690 HZ1 LYS 94 HZ1 LYS 94 -2.131 2.976 1.760 691 HZ2 LYS 94 HZ2 LYS 94 -2.444 2.593 0.143 692 HZ3 LYS 94 HZ3 LYS 94 -2.604 4.189 0.680 693 H GLU 95 H GLU 95 2.310 9.379 -0.208 694 HA GLU 95 HA GLU 95 -0.354 10.150 -0.048 695 HB2 GLU 95 HB2 GLU 95 2.157 11.753 -0.508 696 HB3 GLU 95 HB3 GLU 95 0.582 12.509 -0.315 697 HG2 GLU 95 HG2 GLU 95 1.466 10.569 1.749 698 HG3 GLU 95 HG3 GLU 95 2.218 12.162 1.718 699 H LEU 96 H LEU 96 1.681 9.783 -2.807 700 HA LEU 96 HA LEU 96 -0.113 11.315 -4.524 701 HB2 LEU 96 HB2 LEU 96 2.344 9.776 -5.329 702 HB3 LEU 96 HB3 LEU 96 1.512 11.031 -6.245 703 HG LEU 96 HG LEU 96 2.188 12.489 -4.130 704 HD11 LEU 96 HD11 LEU 96 4.099 10.180 -4.142 705 HD12 LEU 96 HD12 LEU 96 3.260 10.921 -2.779 706 HD13 LEU 96 HD13 LEU 96 4.584 11.776 -3.569 707 HD21 LEU 96 HD21 LEU 96 3.214 13.521 -5.803 708 HD22 LEU 96 HD22 LEU 96 3.228 12.035 -6.752 709 HD23 LEU 96 HD23 LEU 96 4.559 12.390 -5.650 710 H ASP 97 H ASP 97 -0.698 8.637 -3.181 711 HA ASP 97 HA ASP 97 -0.832 6.597 -5.081 712 HB2 ASP 97 HB2 ASP 97 -2.582 5.617 -3.655 713 HB3 ASP 97 HB3 ASP 97 -1.224 6.205 -2.700 714 H GLY 98 H GLY 98 -1.775 6.673 -7.008 715 HA2 GLY 98 HA2 GLY 98 -3.575 6.743 -8.486 716 HA3 GLY 98 HA3 GLY 98 -4.559 7.453 -7.214 717 H LEU 99 H LEU 99 -1.623 9.059 -7.500 718 HA LEU 99 HA LEU 99 -2.897 11.170 -9.109 719 HB2 LEU 99 HB2 LEU 99 -2.280 11.574 -6.653 720 HB3 LEU 99 HB3 LEU 99 -0.609 11.588 -7.213 721 HG LEU 99 HG LEU 99 -1.195 13.483 -8.719 722 HD11 LEU 99 HD11 LEU 99 -3.821 13.299 -7.258 723 HD12 LEU 99 HD12 LEU 99 -3.543 13.176 -8.994 724 HD13 LEU 99 HD13 LEU 99 -3.297 14.715 -8.169 725 HD21 LEU 99 HD21 LEU 99 -1.841 14.068 -5.837 726 HD22 LEU 99 HD22 LEU 99 -1.092 15.140 -7.020 727 HD23 LEU 99 HD23 LEU 99 -0.209 13.735 -6.420 728 H CYS 100 H CYS 100 -1.551 12.403 -10.538 729 HA CYS 100 HA CYS 100 0.659 10.804 -11.622 730 HB2 CYS 100 HB2 CYS 100 -0.813 13.074 -12.969 731 HB3 CYS 100 HB3 CYS 100 0.290 11.928 -13.720 732 HG CYS 100 HG CYS 100 -2.076 10.186 -12.322 733 H VAL 101 H VAL 101 2.688 11.496 -11.463 734 HA VAL 101 HA VAL 101 3.253 14.349 -11.231 735 HB VAL 101 HB VAL 101 4.707 14.067 -9.293 736 HG11 VAL 101 HG11 VAL 101 2.112 12.873 -8.428 737 HG12 VAL 101 HG12 VAL 101 3.048 14.179 -7.699 738 HG13 VAL 101 HG13 VAL 101 2.128 14.470 -9.176 739 HG21 VAL 101 HG21 VAL 101 4.789 12.019 -8.024 740 HG22 VAL 101 HG22 VAL 101 3.639 11.251 -9.119 741 HG23 VAL 101 HG23 VAL 101 5.250 11.681 -9.693 742 H ILE 102 H ILE 102 5.672 14.738 -11.259 743 HA ILE 102 HA ILE 102 6.807 13.144 -13.392 744 HB ILE 102 HB ILE 102 7.917 15.578 -11.991 745 HG12 ILE 102 HG12 ILE 102 5.850 16.079 -13.184 746 HG13 ILE 102 HG13 ILE 102 7.223 16.774 -14.040 747 HG21 ILE 102 HG21 ILE 102 8.860 13.981 -14.347 748 HG22 ILE 102 HG22 ILE 102 9.299 15.676 -14.147 749 HG23 ILE 102 HG23 ILE 102 9.765 14.496 -12.923 750 HD11 ILE 102 HD11 ILE 102 7.171 14.919 -15.623 751 HD12 ILE 102 HD12 ILE 102 5.794 14.227 -14.765 752 HD13 ILE 102 HD13 ILE 102 5.634 15.783 -15.580 753 H LEU 103 H LEU 103 8.426 11.707 -13.226 754 HA LEU 103 HA LEU 103 9.126 10.615 -10.730 755 HB2 LEU 103 HB2 LEU 103 10.648 9.209 -11.939 756 HB3 LEU 103 HB3 LEU 103 9.155 9.377 -12.862 757 HG LEU 103 HG LEU 103 11.396 11.202 -13.540 758 HD11 LEU 103 HD11 LEU 103 12.615 9.156 -13.328 759 HD12 LEU 103 HD12 LEU 103 12.342 9.457 -15.044 760 HD13 LEU 103 HD13 LEU 103 11.365 8.262 -14.193 761 HD21 LEU 103 HD21 LEU 103 10.403 10.224 -15.845 762 HD22 LEU 103 HD22 LEU 103 9.732 11.621 -15.002 763 HD23 LEU 103 HD23 LEU 103 9.001 10.029 -14.793 764 HA PRO 104 HA PRO 104 12.488 13.071 -9.337 765 HB2 PRO 104 HB2 PRO 104 14.001 11.205 -8.073 766 HB3 PRO 104 HB3 PRO 104 12.467 11.797 -7.426 767 HG2 PRO 104 HG2 PRO 104 13.038 9.279 -8.941 768 HG3 PRO 104 HG3 PRO 104 12.019 9.516 -7.509 769 HD2 PRO 104 HD2 PRO 104 10.997 9.313 -10.009 770 HD3 PRO 104 HD3 PRO 104 10.247 10.314 -8.749 771 H THR 105 H THR 105 13.578 9.949 -10.680 772 HA THR 105 HA THR 105 16.087 11.097 -11.540 773 HB THR 105 HB THR 105 16.676 8.900 -12.312 774 HG1 THR 105 HG1 THR 105 14.040 8.017 -11.718 775 HG21 THR 105 HG21 THR 105 16.536 9.391 -9.806 776 HG22 THR 105 HG22 THR 105 16.613 7.697 -10.289 777 HG23 THR 105 HG23 THR 105 15.072 8.410 -9.815 778 H GLU 106 H GLU 106 16.644 10.025 -13.930 779 HA GLU 106 HA GLU 106 14.608 11.174 -15.725 780 HB2 GLU 106 HB2 GLU 106 17.607 11.132 -16.108 781 HB3 GLU 106 HB3 GLU 106 16.437 11.813 -17.230 782 HG2 GLU 106 HG2 GLU 106 15.735 13.341 -15.323 783 HG3 GLU 106 HG3 GLU 106 17.204 12.807 -14.508 784 H THR 107 H THR 107 14.190 8.623 -15.165 785 HA THR 107 HA THR 107 15.278 7.151 -17.477 786 HB THR 107 HB THR 107 14.182 5.680 -15.119 787 HG1 THR 107 HG1 THR 107 16.915 6.394 -15.198 788 HG21 THR 107 HG21 THR 107 16.123 4.160 -15.829 789 HG22 THR 107 HG22 THR 107 16.223 5.176 -17.268 790 HG23 THR 107 HG23 THR 107 14.743 4.282 -16.920 791 H ARG 108 H ARG 108 13.810 5.377 -18.242 792 HA ARG 108 HA ARG 108 10.971 6.021 -17.863 793 HB2 ARG 108 HB2 ARG 108 12.290 5.583 -20.549 794 HB3 ARG 108 HB3 ARG 108 10.574 5.848 -20.272 795 HG2 ARG 108 HG2 ARG 108 10.832 8.080 -19.901 796 HG3 ARG 108 HG3 ARG 108 12.472 7.898 -19.276 797 HD2 ARG 108 HD2 ARG 108 12.280 9.026 -21.519 798 HD3 ARG 108 HD3 ARG 108 13.370 7.642 -21.452 799 HE ARG 108 HE ARG 108 11.982 6.512 -22.891 800 HH11 ARG 108 HH11 ARG 108 10.359 9.349 -21.692 801 HH12 ARG 108 HH12 ARG 108 9.030 9.214 -22.795 802 HH21 ARG 108 HH21 ARG 108 10.238 6.323 -24.348 803 HH22 ARG 108 HH22 ARG 108 8.961 7.492 -24.305 804 H ASN 109 H ASN 109 9.556 4.286 -18.878 805 HA ASN 109 HA ASN 109 10.548 1.718 -19.437 806 HB2 ASN 109 HB2 ASN 109 10.977 2.135 -16.848 807 HB3 ASN 109 HB3 ASN 109 9.282 1.670 -16.735 808 HD21 ASN 109 HD21 ASN 109 10.013 -0.155 -15.531 809 HD22 ASN 109 HD22 ASN 109 10.638 -1.543 -16.347 810 H ILE 110 H ILE 110 8.779 0.046 -19.377 811 HA ILE 110 HA ILE 110 6.083 0.728 -19.004 812 HB ILE 110 HB ILE 110 6.357 2.234 -20.881 813 HG12 ILE 110 HG12 ILE 110 4.866 -0.276 -21.678 814 HG13 ILE 110 HG13 ILE 110 4.227 1.026 -20.681 815 HG21 ILE 110 HG21 ILE 110 8.139 0.317 -21.826 816 HG22 ILE 110 HG22 ILE 110 6.805 0.303 -22.977 817 HG23 ILE 110 HG23 ILE 110 7.657 1.808 -22.634 818 HD11 ILE 110 HD11 ILE 110 3.338 1.595 -22.690 819 HD12 ILE 110 HD12 ILE 110 4.865 2.472 -22.791 820 HD13 ILE 110 HD13 ILE 110 4.685 0.919 -23.606 821 H SER 111 H SER 111 5.036 -1.134 -18.770 822 HA SER 111 HA SER 111 5.115 -3.303 -20.529 823 HB2 SER 111 HB2 SER 111 7.224 -3.284 -18.476 824 HB3 SER 111 HB3 SER 111 6.284 -4.774 -18.538 825 HG SER 111 HG SER 111 8.049 -4.870 -19.962 826 H PHE 112 H PHE 112 3.632 -4.898 -19.981 827 HA PHE 112 HA PHE 112 2.000 -4.278 -17.618 828 HB2 PHE 112 HB2 PHE 112 0.231 -5.614 -18.821 829 HB3 PHE 112 HB3 PHE 112 0.714 -4.126 -19.628 830 HD1 PHE 112 HD1 PHE 112 0.791 -7.775 -19.746 831 HD2 PHE 112 HD2 PHE 112 1.949 -4.178 -21.704 832 HE1 PHE 112 HE1 PHE 112 1.281 -9.051 -21.792 833 HE2 PHE 112 HE2 PHE 112 2.439 -5.447 -23.754 834 HZ PHE 112 HZ PHE 112 2.105 -7.887 -23.800 835 H VAL 113 H VAL 113 4.425 -5.804 -17.415 836 HA VAL 113 HA VAL 113 3.330 -8.438 -16.665 837 HB VAL 113 HB VAL 113 6.225 -7.874 -17.293 838 HG11 VAL 113 HG11 VAL 113 4.668 -10.215 -16.435 839 HG12 VAL 113 HG12 VAL 113 5.809 -10.509 -17.748 840 HG13 VAL 113 HG13 VAL 113 6.379 -9.844 -16.217 841 HG21 VAL 113 HG21 VAL 113 5.167 -7.480 -19.347 842 HG22 VAL 113 HG22 VAL 113 5.677 -9.167 -19.431 843 HG23 VAL 113 HG23 VAL 113 3.992 -8.770 -19.090 844 H LYS 114 H LYS 114 4.111 -9.394 -14.730 845 HA LYS 114 HA LYS 114 4.805 -7.419 -12.701 846 HB2 LYS 114 HB2 LYS 114 2.932 -9.193 -12.504 847 HB3 LYS 114 HB3 LYS 114 4.238 -10.325 -12.178 848 HG2 LYS 114 HG2 LYS 114 4.920 -9.033 -10.248 849 HG3 LYS 114 HG3 LYS 114 3.682 -7.823 -10.596 850 HD2 LYS 114 HD2 LYS 114 1.979 -9.667 -10.371 851 HD3 LYS 114 HD3 LYS 114 3.281 -10.691 -9.762 852 HE2 LYS 114 HE2 LYS 114 2.319 -9.850 -7.822 853 HE3 LYS 114 HE3 LYS 114 3.696 -8.780 -8.081 854 HZ1 LYS 114 HZ1 LYS 114 1.211 -7.946 -9.323 855 HZ2 LYS 114 HZ2 LYS 114 2.369 -7.032 -8.495 856 HZ3 LYS 114 HZ3 LYS 114 1.217 -7.919 -7.631 857 H ASN 115 H ASN 115 7.000 -7.349 -13.829 858 HA ASN 115 HA ASN 115 8.850 -9.396 -13.785 859 HB2 ASN 115 HB2 ASN 115 9.189 -6.421 -13.422 860 HB3 ASN 115 HB3 ASN 115 10.564 -7.519 -13.508 861 HD21 ASN 115 HD21 ASN 115 9.900 -9.264 -15.421 862 HD22 ASN 115 HD22 ASN 115 9.676 -8.464 -16.936 863 H SER 116 H SER 116 10.235 -10.262 -12.301 864 HA SER 116 HA SER 116 10.378 -9.167 -9.617 865 HB2 SER 116 HB2 SER 116 8.927 -11.683 -10.300 866 HB3 SER 116 HB3 SER 116 9.883 -11.657 -8.818 867 HG SER 116 HG SER 116 8.608 -10.098 -8.002 Start of MODEL 9 1 H1 MET 1 H MET 1 0.693 -0.474 -1.396 2 HA MET 1 HA MET 1 3.165 0.536 -2.512 3 HB2 MET 1 HB2 MET 1 3.446 -1.494 -3.969 4 HB3 MET 1 HB3 MET 1 3.825 -1.743 -2.270 5 HG2 MET 1 HG2 MET 1 1.987 -3.069 -1.910 6 HG3 MET 1 HG3 MET 1 1.087 -2.370 -3.255 7 HE1 MET 1 HE1 MET 1 0.896 -5.142 -2.654 8 HE2 MET 1 HE2 MET 1 1.587 -6.252 -3.838 9 HE3 MET 1 HE3 MET 1 2.490 -5.845 -2.377 10 HA PRO 2 HA PRO 2 -0.755 1.450 -4.872 11 HB2 PRO 2 HB2 PRO 2 -0.401 4.141 -4.912 12 HB3 PRO 2 HB3 PRO 2 -1.224 3.301 -3.593 13 HG2 PRO 2 HG2 PRO 2 1.600 4.282 -3.743 14 HG3 PRO 2 HG3 PRO 2 0.449 4.389 -2.399 15 HD2 PRO 2 HD2 PRO 2 2.408 2.521 -2.495 16 HD3 PRO 2 HD3 PRO 2 0.834 2.216 -1.732 17 H LEU 3 H LEU 3 -0.723 3.342 -6.744 18 HA LEU 3 HA LEU 3 1.730 2.868 -8.306 19 HB2 LEU 3 HB2 LEU 3 0.149 1.511 -9.350 20 HB3 LEU 3 HB3 LEU 3 -1.147 2.682 -9.116 21 HG LEU 3 HG LEU 3 -0.058 4.135 -10.819 22 HD11 LEU 3 HD11 LEU 3 1.944 3.690 -11.674 23 HD12 LEU 3 HD12 LEU 3 1.497 2.022 -12.032 24 HD13 LEU 3 HD13 LEU 3 2.111 2.446 -10.434 25 HD21 LEU 3 HD21 LEU 3 -1.860 2.313 -11.225 26 HD22 LEU 3 HD22 LEU 3 -0.556 1.451 -12.042 27 HD23 LEU 3 HD23 LEU 3 -1.047 3.049 -12.606 28 H ILE 4 H ILE 4 2.509 4.556 -9.529 29 HA ILE 4 HA ILE 4 1.146 7.145 -9.161 30 HB ILE 4 HB ILE 4 4.123 6.747 -9.457 31 HG12 ILE 4 HG12 ILE 4 3.482 5.768 -7.354 32 HG13 ILE 4 HG13 ILE 4 4.201 7.340 -7.022 33 HG21 ILE 4 HG21 ILE 4 4.206 9.088 -8.652 34 HG22 ILE 4 HG22 ILE 4 3.383 8.913 -10.201 35 HG23 ILE 4 HG23 ILE 4 2.445 9.142 -8.726 36 HD11 ILE 4 HD11 ILE 4 1.677 8.109 -7.131 37 HD12 ILE 4 HD12 ILE 4 1.406 6.421 -6.697 38 HD13 ILE 4 HD13 ILE 4 2.393 7.450 -5.660 39 H THR 5 H THR 5 0.699 8.305 -10.931 40 HA THR 5 HA THR 5 1.431 7.189 -13.522 41 HB THR 5 HB THR 5 -0.467 9.443 -12.840 42 HG1 THR 5 HG1 THR 5 -1.350 7.516 -12.164 43 HG21 THR 5 HG21 THR 5 0.705 8.662 -15.328 44 HG22 THR 5 HG22 THR 5 -0.476 9.934 -15.012 45 HG23 THR 5 HG23 THR 5 -1.018 8.293 -15.363 46 H PHE 6 H PHE 6 3.357 7.823 -14.266 47 HA PHE 6 HA PHE 6 4.315 10.524 -13.746 48 HB2 PHE 6 HB2 PHE 6 5.744 8.355 -15.281 49 HB3 PHE 6 HB3 PHE 6 6.446 9.773 -14.509 50 HD1 PHE 6 HD1 PHE 6 5.460 9.817 -11.860 51 HD2 PHE 6 HD2 PHE 6 6.455 6.439 -14.250 52 HE1 PHE 6 HE1 PHE 6 5.876 8.502 -9.822 53 HE2 PHE 6 HE2 PHE 6 6.872 5.119 -12.217 54 HZ PHE 6 HZ PHE 6 6.584 6.150 -9.999 55 H ILE 7 H ILE 7 4.224 12.131 -15.174 56 HA ILE 7 HA ILE 7 3.307 11.513 -17.894 57 HB ILE 7 HB ILE 7 3.340 14.218 -16.561 58 HG12 ILE 7 HG12 ILE 7 0.740 13.600 -16.563 59 HG13 ILE 7 HG13 ILE 7 1.391 11.972 -16.409 60 HG21 ILE 7 HG21 ILE 7 1.378 13.621 -18.650 61 HG22 ILE 7 HG22 ILE 7 2.409 15.034 -18.430 62 HG23 ILE 7 HG23 ILE 7 3.054 13.581 -19.195 63 HD11 ILE 7 HD11 ILE 7 2.050 12.302 -14.292 64 HD12 ILE 7 HD12 ILE 7 2.548 13.967 -14.592 65 HD13 ILE 7 HD13 ILE 7 0.846 13.589 -14.332 66 H SER 8 H SER 8 4.701 11.628 -19.515 67 HA SER 8 HA SER 8 7.341 12.718 -19.103 68 HB2 SER 8 HB2 SER 8 6.610 11.918 -21.838 69 HB3 SER 8 HB3 SER 8 7.964 11.400 -20.834 70 HG SER 8 HG SER 8 6.229 10.190 -19.641 71 HA PRO 9 HA PRO 9 6.871 16.661 -20.965 72 HB2 PRO 9 HB2 PRO 9 9.167 16.914 -22.392 73 HB3 PRO 9 HB3 PRO 9 9.121 16.984 -20.627 74 HG2 PRO 9 HG2 PRO 9 9.852 14.695 -22.412 75 HG3 PRO 9 HG3 PRO 9 10.640 15.249 -20.923 76 HD2 PRO 9 HD2 PRO 9 8.954 13.131 -20.978 77 HD3 PRO 9 HD3 PRO 9 9.098 14.200 -19.568 78 H ASP 10 H ASP 10 7.145 13.868 -22.931 79 HA ASP 10 HA ASP 10 6.505 15.354 -25.373 80 HB2 ASP 10 HB2 ASP 10 7.410 12.530 -24.852 81 HB3 ASP 10 HB3 ASP 10 6.739 13.007 -26.409 82 H GLY 11 H GLY 11 4.634 14.924 -23.093 83 HA2 GLY 11 HA2 GLY 11 2.360 14.618 -22.905 84 HA3 GLY 11 HA3 GLY 11 2.319 14.314 -24.636 85 H SER 12 H SER 12 4.519 12.335 -22.982 86 HA SER 12 HA SER 12 2.809 10.029 -23.425 87 HB2 SER 12 HB2 SER 12 5.713 10.480 -22.992 88 HB3 SER 12 HB3 SER 12 5.060 8.935 -22.448 89 HG SER 12 HG SER 12 5.676 8.701 -24.571 90 H ARG 13 H ARG 13 3.049 8.233 -21.684 91 HA ARG 13 HA ARG 13 3.093 9.249 -18.964 92 HB2 ARG 13 HB2 ARG 13 0.836 8.189 -18.507 93 HB3 ARG 13 HB3 ARG 13 0.811 9.688 -19.426 94 HG2 ARG 13 HG2 ARG 13 0.652 8.315 -21.507 95 HG3 ARG 13 HG3 ARG 13 0.459 6.893 -20.479 96 HD2 ARG 13 HD2 ARG 13 -1.734 7.444 -20.887 97 HD3 ARG 13 HD3 ARG 13 -1.441 8.313 -19.381 98 HE ARG 13 HE ARG 13 -0.824 10.101 -21.360 99 HH11 ARG 13 HH11 ARG 13 -3.621 8.218 -20.492 100 HH12 ARG 13 HH12 ARG 13 -4.753 9.370 -21.118 101 HH21 ARG 13 HH21 ARG 13 -2.304 11.626 -22.188 102 HH22 ARG 13 HH22 ARG 13 -4.003 11.308 -22.084 103 H LYS 14 H LYS 14 3.945 7.787 -17.627 104 HA LYS 14 HA LYS 14 4.128 5.002 -18.570 105 HB2 LYS 14 HB2 LYS 14 6.003 6.737 -17.001 106 HB3 LYS 14 HB3 LYS 14 6.076 4.989 -16.822 107 HG2 LYS 14 HG2 LYS 14 6.912 4.667 -18.908 108 HG3 LYS 14 HG3 LYS 14 6.092 6.080 -19.577 109 HD2 LYS 14 HD2 LYS 14 8.225 6.528 -17.555 110 HD3 LYS 14 HD3 LYS 14 8.712 6.040 -19.180 111 HE2 LYS 14 HE2 LYS 14 6.733 8.246 -18.867 112 HE3 LYS 14 HE3 LYS 14 8.434 8.578 -18.544 113 HZ1 LYS 14 HZ1 LYS 14 8.771 7.434 -20.826 114 HZ2 LYS 14 HZ2 LYS 14 8.263 9.047 -20.771 115 HZ3 LYS 14 HZ3 LYS 14 7.142 7.817 -21.073 116 H THR 15 H THR 15 3.709 3.317 -17.153 117 HA THR 15 HA THR 15 2.409 4.088 -14.621 118 HB THR 15 HB THR 15 1.706 1.681 -16.308 119 HG1 THR 15 HG1 THR 15 0.156 4.043 -16.000 120 HG21 THR 15 HG21 THR 15 -0.405 1.904 -14.823 121 HG22 THR 15 HG22 THR 15 0.634 2.864 -13.770 122 HG23 THR 15 HG23 THR 15 1.048 1.188 -14.129 123 H TYR 16 H TYR 16 3.633 3.514 -12.954 124 HA TYR 16 HA TYR 16 4.682 0.802 -12.820 125 HB2 TYR 16 HB2 TYR 16 6.382 3.275 -12.813 126 HB3 TYR 16 HB3 TYR 16 6.887 1.853 -11.907 127 HD1 TYR 16 HD2 TYR 16 6.143 3.148 -15.282 128 HD2 TYR 16 HD1 TYR 16 7.763 -0.067 -13.016 129 HE1 TYR 16 HE2 TYR 16 7.094 2.187 -17.337 130 HE2 TYR 16 HE1 TYR 16 8.720 -1.037 -15.063 131 HH TYR 16 HH TYR 16 8.720 0.683 -18.084 132 H GLU 17 H GLU 17 4.470 -0.035 -10.837 133 HA GLU 17 HA GLU 17 3.165 1.439 -8.794 134 HB2 GLU 17 HB2 GLU 17 4.299 -1.320 -9.021 135 HB3 GLU 17 HB3 GLU 17 3.852 -0.706 -7.435 136 HG2 GLU 17 HG2 GLU 17 1.625 -0.712 -7.900 137 HG3 GLU 17 HG3 GLU 17 1.870 -0.458 -9.627 138 H ALA 18 H ALA 18 4.015 2.757 -7.337 139 HA ALA 18 HA ALA 18 6.903 2.603 -6.808 140 HB1 ALA 18 HB1 ALA 18 6.943 4.816 -6.959 141 HB2 ALA 18 HB2 ALA 18 5.247 4.770 -7.442 142 HB3 ALA 18 HB3 ALA 18 5.674 4.969 -5.743 143 H TYR 19 H TYR 19 7.587 3.197 -4.579 144 HA TYR 19 HA TYR 19 5.719 2.061 -2.602 145 HB2 TYR 19 HB2 TYR 19 8.491 1.469 -3.208 146 HB3 TYR 19 HB3 TYR 19 8.297 1.934 -1.522 147 HD1 TYR 19 HD1 TYR 19 6.965 -0.386 -4.108 148 HD2 TYR 19 HD2 TYR 19 7.493 0.392 0.042 149 HE1 TYR 19 HE1 TYR 19 6.151 -2.648 -3.586 150 HE2 TYR 19 HE2 TYR 19 6.681 -1.868 0.575 151 HH TYR 19 HH TYR 19 6.562 -4.307 -1.459 152 H ASP 20 H ASP 20 6.718 2.726 -0.267 153 HA ASP 20 HA ASP 20 6.282 5.571 -0.131 154 HB2 ASP 20 HB2 ASP 20 5.390 3.854 1.523 155 HB3 ASP 20 HB3 ASP 20 7.030 3.751 2.157 156 H GLY 21 H GLY 21 7.889 6.933 -0.564 157 HA2 GLY 21 HA2 GLY 21 9.926 7.987 -0.409 158 HA3 GLY 21 HA3 GLY 21 10.269 6.963 0.977 159 H GLU 22 H GLU 22 9.447 5.150 -1.743 160 HA GLU 22 HA GLU 22 12.226 4.337 -2.068 161 HB2 GLU 22 HB2 GLU 22 10.530 2.596 -1.759 162 HB3 GLU 22 HB3 GLU 22 9.679 3.157 -3.191 163 HG2 GLU 22 HG2 GLU 22 11.646 2.584 -4.554 164 HG3 GLU 22 HG3 GLU 22 12.437 1.956 -3.110 165 H THR 23 H THR 23 13.446 5.196 -3.599 166 HA THR 23 HA THR 23 12.491 6.938 -5.590 167 HB THR 23 HB THR 23 14.772 7.129 -4.821 168 HG1 THR 23 HG1 THR 23 15.428 7.711 -6.758 169 HG21 THR 23 HG21 THR 23 16.395 5.306 -5.777 170 HG22 THR 23 HG22 THR 23 14.952 4.292 -5.741 171 HG23 THR 23 HG23 THR 23 15.548 5.031 -4.255 172 H LEU 24 H LEU 24 12.801 6.660 -7.946 173 HA LEU 24 HA LEU 24 11.494 4.276 -8.837 174 HB2 LEU 24 HB2 LEU 24 11.569 6.808 -9.748 175 HB3 LEU 24 HB3 LEU 24 12.751 6.063 -10.822 176 HG LEU 24 HG LEU 24 10.302 4.512 -10.647 177 HD11 LEU 24 HD11 LEU 24 9.157 6.310 -12.175 178 HD12 LEU 24 HD12 LEU 24 10.139 7.428 -11.229 179 HD13 LEU 24 HD13 LEU 24 8.983 6.370 -10.420 180 HD21 LEU 24 HD21 LEU 24 10.902 4.013 -12.734 181 HD22 LEU 24 HD22 LEU 24 12.374 4.933 -12.423 182 HD23 LEU 24 HD23 LEU 24 10.994 5.712 -13.198 183 H LEU 25 H LEU 25 14.770 5.339 -8.598 184 HA LEU 25 HA LEU 25 15.987 3.789 -10.578 185 HB2 LEU 25 HB2 LEU 25 17.123 5.556 -9.311 186 HB3 LEU 25 HB3 LEU 25 17.069 4.546 -7.868 187 HG LEU 25 HG LEU 25 18.556 2.926 -8.954 188 HD11 LEU 25 HD11 LEU 25 19.743 3.951 -11.058 189 HD12 LEU 25 HD12 LEU 25 18.198 4.777 -11.258 190 HD13 LEU 25 HD13 LEU 25 18.256 3.015 -11.222 191 HD21 LEU 25 HD21 LEU 25 20.260 4.057 -8.090 192 HD22 LEU 25 HD22 LEU 25 19.209 5.469 -7.984 193 HD23 LEU 25 HD23 LEU 25 20.219 5.226 -9.410 194 H SER 26 H SER 26 15.361 3.020 -7.162 195 HA SER 26 HA SER 26 16.449 0.423 -7.231 196 HB2 SER 26 HB2 SER 26 14.395 1.695 -5.416 197 HB3 SER 26 HB3 SER 26 15.024 0.067 -5.164 198 HG SER 26 HG SER 26 16.085 2.272 -4.309 199 H LEU 27 H LEU 27 13.406 1.704 -8.266 200 HA LEU 27 HA LEU 27 11.734 -0.486 -8.168 201 HB2 LEU 27 HB2 LEU 27 11.406 1.960 -9.063 202 HB3 LEU 27 HB3 LEU 27 11.760 1.212 -10.619 203 HG LEU 27 HG LEU 27 9.856 -0.422 -10.021 204 HD11 LEU 27 HD11 LEU 27 8.619 1.741 -8.465 205 HD12 LEU 27 HD12 LEU 27 9.892 0.848 -7.633 206 HD13 LEU 27 HD13 LEU 27 8.495 -0.009 -8.283 207 HD21 LEU 27 HD21 LEU 27 9.881 2.218 -11.189 208 HD22 LEU 27 HD22 LEU 27 8.305 1.842 -10.493 209 HD23 LEU 27 HD23 LEU 27 9.014 0.769 -11.699 210 H ALA 28 H ALA 28 14.374 0.176 -10.368 211 HA ALA 28 HA ALA 28 13.825 -1.679 -12.375 212 HB1 ALA 28 HB1 ALA 28 16.446 -1.736 -12.494 213 HB2 ALA 28 HB2 ALA 28 15.553 -0.279 -12.932 214 HB3 ALA 28 HB3 ALA 28 16.313 -0.405 -11.345 215 H HIS 29 H HIS 29 15.726 -2.090 -9.394 216 HA HIS 29 HA HIS 29 16.523 -4.715 -9.735 217 HB2 HIS 29 HB2 HIS 29 17.091 -3.042 -7.850 218 HB3 HIS 29 HB3 HIS 29 15.653 -3.672 -7.051 219 HD1 HIS 29 HD1 HIS 29 16.255 -6.677 -8.099 220 HD2 HIS 29 HD2 HIS 29 18.792 -4.186 -5.949 221 HE1 HIS 29 HE1 HIS 29 17.880 -8.209 -6.943 222 H ARG 30 H ARG 30 13.440 -3.454 -8.594 223 HA ARG 30 HA ARG 30 12.391 -6.017 -7.865 224 HB2 ARG 30 HB2 ARG 30 11.106 -3.318 -8.277 225 HB3 ARG 30 HB3 ARG 30 10.197 -4.747 -7.804 226 HG2 ARG 30 HG2 ARG 30 12.577 -4.015 -6.189 227 HG3 ARG 30 HG3 ARG 30 11.122 -3.028 -6.030 228 HD2 ARG 30 HD2 ARG 30 10.666 -4.591 -4.441 229 HD3 ARG 30 HD3 ARG 30 9.983 -5.416 -5.842 230 HE ARG 30 HE ARG 30 12.691 -6.125 -5.572 231 HH11 ARG 30 HH11 ARG 30 9.613 -6.603 -4.016 232 HH12 ARG 30 HH12 ARG 30 10.036 -8.151 -3.363 233 HH21 ARG 30 HH21 ARG 30 13.260 -8.162 -4.717 234 HH22 ARG 30 HH22 ARG 30 12.111 -9.037 -3.762 235 H ASN 31 H ASN 31 12.549 -4.134 -10.770 236 HA ASN 31 HA ASN 31 10.544 -5.771 -12.112 237 HB2 ASN 31 HB2 ASN 31 10.900 -3.201 -12.401 238 HB3 ASN 31 HB3 ASN 31 12.206 -3.680 -13.481 239 HD21 ASN 31 HD21 ASN 31 11.552 -3.455 -15.489 240 HD22 ASN 31 HD22 ASN 31 10.024 -3.952 -16.124 241 H ASN 32 H ASN 32 13.458 -6.488 -11.215 242 HA ASN 32 HA ASN 32 15.185 -7.769 -11.966 243 HB2 ASN 32 HB2 ASN 32 13.012 -8.765 -13.823 244 HB3 ASN 32 HB3 ASN 32 14.556 -9.571 -13.558 245 HD21 ASN 32 HD21 ASN 32 11.392 -9.514 -12.686 246 HD22 ASN 32 HD22 ASN 32 11.498 -10.316 -11.159 247 H VAL 33 H VAL 33 14.819 -5.141 -13.202 248 HA VAL 33 HA VAL 33 16.007 -5.636 -15.851 249 HB VAL 33 HB VAL 33 13.905 -4.293 -15.824 250 HG11 VAL 33 HG11 VAL 33 14.011 -1.976 -15.011 251 HG12 VAL 33 HG12 VAL 33 14.211 -3.147 -13.705 252 HG13 VAL 33 HG13 VAL 33 15.614 -2.293 -14.348 253 HG21 VAL 33 HG21 VAL 33 16.285 -2.676 -16.714 254 HG22 VAL 33 HG22 VAL 33 15.687 -4.092 -17.579 255 HG23 VAL 33 HG23 VAL 33 14.659 -2.671 -17.399 256 H ASP 34 H ASP 34 17.823 -4.401 -16.496 257 HA ASP 34 HA ASP 34 19.476 -3.528 -14.235 258 HB2 ASP 34 HB2 ASP 34 20.178 -4.430 -17.030 259 HB3 ASP 34 HB3 ASP 34 21.355 -3.716 -15.931 260 H LEU 35 H LEU 35 19.866 -1.442 -13.927 261 HA LEU 35 HA LEU 35 19.564 0.398 -16.208 262 HB2 LEU 35 HB2 LEU 35 18.443 0.511 -13.465 263 HB3 LEU 35 HB3 LEU 35 18.990 2.027 -14.180 264 HG LEU 35 HG LEU 35 16.564 1.619 -14.451 265 HD11 LEU 35 HD11 LEU 35 17.588 1.479 -17.214 266 HD12 LEU 35 HD12 LEU 35 18.270 2.741 -16.188 267 HD13 LEU 35 HD13 LEU 35 16.528 2.664 -16.450 268 HD21 LEU 35 HD21 LEU 35 15.681 -0.194 -15.493 269 HD22 LEU 35 HD22 LEU 35 17.146 -0.948 -14.862 270 HD23 LEU 35 HD23 LEU 35 17.082 -0.414 -16.542 271 H GLU 36 H GLU 36 20.669 2.545 -15.781 272 HA GLU 36 HA GLU 36 23.379 1.988 -14.900 273 HB2 GLU 36 HB2 GLU 36 22.067 4.191 -16.450 274 HB3 GLU 36 HB3 GLU 36 23.651 4.455 -15.733 275 HG2 GLU 36 HG2 GLU 36 22.909 2.347 -17.747 276 HG3 GLU 36 HG3 GLU 36 23.905 3.775 -18.020 277 H GLY 37 H GLY 37 23.043 1.853 -12.636 278 HA2 GLY 37 HA2 GLY 37 23.770 3.837 -11.031 279 HA3 GLY 37 HA3 GLY 37 22.074 4.235 -11.260 280 H ALA 38 H ALA 38 23.144 3.691 -8.753 281 HA ALA 38 HA ALA 38 21.434 1.518 -7.939 282 HB1 ALA 38 HB1 ALA 38 23.353 0.202 -8.471 283 HB2 ALA 38 HB2 ALA 38 24.419 1.304 -7.598 284 HB3 ALA 38 HB3 ALA 38 23.252 0.321 -6.714 285 H CYS 39 H CYS 39 20.452 2.165 -6.146 286 HA CYS 39 HA CYS 39 21.767 3.175 -3.874 287 HB2 CYS 39 HB2 CYS 39 21.694 5.144 -5.665 288 HB3 CYS 39 HB3 CYS 39 20.069 5.340 -5.020 289 HG CYS 39 HG CYS 39 20.741 6.132 -2.566 290 H GLU 40 H GLU 40 20.224 3.865 -2.172 291 HA GLU 40 HA GLU 40 17.432 3.228 -2.627 292 HB2 GLU 40 HB2 GLU 40 19.123 1.624 -0.703 293 HB3 GLU 40 HB3 GLU 40 17.370 1.553 -0.800 294 HG2 GLU 40 HG2 GLU 40 17.518 0.720 -3.083 295 HG3 GLU 40 HG3 GLU 40 19.277 0.810 -3.007 296 H GLY 41 H GLY 41 16.233 3.363 -0.403 297 HA2 GLY 41 HA2 GLY 41 16.904 4.510 1.877 298 HA3 GLY 41 HA3 GLY 41 17.105 5.882 0.798 299 H SER 42 H SER 42 15.242 5.508 3.032 300 HA SER 42 HA SER 42 12.838 6.331 1.631 301 HB2 SER 42 HB2 SER 42 12.768 4.027 3.596 302 HB3 SER 42 HB3 SER 42 11.374 4.759 2.801 303 HG SER 42 HG SER 42 12.694 2.748 1.918 304 H LEU 43 H LEU 43 11.250 7.310 3.066 305 HA LEU 43 HA LEU 43 12.463 8.282 5.570 306 HB2 LEU 43 HB2 LEU 43 10.626 9.742 3.678 307 HB3 LEU 43 HB3 LEU 43 11.191 10.366 5.227 308 HG LEU 43 HG LEU 43 13.052 9.659 2.967 309 HD11 LEU 43 HD11 LEU 43 13.056 11.917 2.274 310 HD12 LEU 43 HD12 LEU 43 12.071 12.419 3.649 311 HD13 LEU 43 HD13 LEU 43 11.361 11.436 2.368 312 HD21 LEU 43 HD21 LEU 43 14.357 11.486 4.342 313 HD22 LEU 43 HD22 LEU 43 14.377 9.790 4.826 314 HD23 LEU 43 HD23 LEU 43 13.308 10.929 5.646 315 H ALA 44 H ALA 44 9.467 7.402 3.923 316 HA ALA 44 HA ALA 44 7.480 6.606 4.696 317 HB1 ALA 44 HB1 ALA 44 8.711 6.203 7.399 318 HB2 ALA 44 HB2 ALA 44 7.468 5.249 6.589 319 HB3 ALA 44 HB3 ALA 44 9.141 5.170 6.035 320 H CYS 45 H CYS 45 7.898 9.382 4.759 321 HA CYS 45 HA CYS 45 6.433 10.183 7.186 322 HB2 CYS 45 HB2 CYS 45 8.158 11.881 5.369 323 HB3 CYS 45 HB3 CYS 45 7.307 12.451 6.800 324 HG CYS 45 HG CYS 45 10.320 11.619 6.730 325 H SER 46 H SER 46 4.325 10.209 6.723 326 HA SER 46 HA SER 46 3.475 11.611 4.274 327 HB2 SER 46 HB2 SER 46 3.046 9.224 4.012 328 HB3 SER 46 HB3 SER 46 2.186 9.186 5.551 329 HG SER 46 HG SER 46 0.889 9.377 3.548 330 H THR 47 H THR 47 3.834 13.073 6.505 331 HA THR 47 HA THR 47 1.096 13.511 7.507 332 HB THR 47 HB THR 47 2.387 12.810 9.380 333 HG1 THR 47 HG1 THR 47 2.130 14.596 10.669 334 HG21 THR 47 HG21 THR 47 4.530 14.118 7.996 335 HG22 THR 47 HG22 THR 47 4.607 13.004 9.361 336 HG23 THR 47 HG23 THR 47 4.430 14.735 9.645 337 H CYS 48 H CYS 48 4.051 14.947 6.298 338 HA CYS 48 HA CYS 48 2.651 17.532 6.087 339 HB2 CYS 48 HB2 CYS 48 5.644 17.139 6.215 340 HB3 CYS 48 HB3 CYS 48 4.766 18.662 6.281 341 HG CYS 48 HG CYS 48 5.739 18.207 8.824 342 H HIS 49 H HIS 49 4.300 18.847 4.369 343 HA HIS 49 HA HIS 49 3.444 18.068 1.866 344 HB2 HIS 49 HB2 HIS 49 5.404 19.491 1.024 345 HB3 HIS 49 HB3 HIS 49 4.233 20.279 2.077 346 HD1 HIS 49 HD1 HIS 49 5.170 21.470 4.041 347 HD2 HIS 49 HD2 HIS 49 7.828 18.675 2.498 348 HE1 HIS 49 HE1 HIS 49 7.301 21.779 5.341 349 H VAL 50 H VAL 50 4.445 17.056 0.090 350 HA VAL 50 HA VAL 50 6.869 15.504 0.632 351 HB VAL 50 HB VAL 50 5.922 13.451 -0.215 352 HG11 VAL 50 HG11 VAL 50 5.687 14.023 2.206 353 HG12 VAL 50 HG12 VAL 50 4.039 14.551 1.863 354 HG13 VAL 50 HG13 VAL 50 4.497 12.867 1.611 355 HG21 VAL 50 HG21 VAL 50 4.332 13.945 -1.794 356 HG22 VAL 50 HG22 VAL 50 3.306 13.484 -0.436 357 HG23 VAL 50 HG23 VAL 50 3.573 15.189 -0.801 358 H ILE 51 H ILE 51 7.118 14.067 -1.612 359 HA ILE 51 HA ILE 51 7.819 16.029 -3.553 360 HB ILE 51 HB ILE 51 9.247 14.171 -3.492 361 HG12 ILE 51 HG12 ILE 51 7.429 13.669 -5.858 362 HG13 ILE 51 HG13 ILE 51 8.650 14.935 -5.786 363 HG21 ILE 51 HG21 ILE 51 6.743 12.515 -3.559 364 HG22 ILE 51 HG22 ILE 51 8.328 11.829 -3.914 365 HG23 ILE 51 HG23 ILE 51 8.012 12.547 -2.335 366 HD11 ILE 51 HD11 ILE 51 8.961 12.010 -6.116 367 HD12 ILE 51 HD12 ILE 51 9.822 13.341 -6.890 368 HD13 ILE 51 HD13 ILE 51 10.217 12.879 -5.234 369 H ILE 52 H ILE 52 6.348 17.027 -4.762 370 HA ILE 52 HA ILE 52 4.289 15.387 -6.077 371 HB ILE 52 HB ILE 52 2.910 17.621 -5.963 372 HG12 ILE 52 HG12 ILE 52 3.248 18.798 -3.818 373 HG13 ILE 52 HG13 ILE 52 4.671 17.811 -3.508 374 HG21 ILE 52 HG21 ILE 52 3.201 15.661 -3.694 375 HG22 ILE 52 HG22 ILE 52 1.871 16.808 -3.847 376 HG23 ILE 52 HG23 ILE 52 2.100 15.556 -5.067 377 HD11 ILE 52 HD11 ILE 52 5.963 18.999 -4.915 378 HD12 ILE 52 HD12 ILE 52 4.648 19.287 -6.056 379 HD13 ILE 52 HD13 ILE 52 4.768 20.254 -4.586 380 H ASP 53 H ASP 53 3.407 16.389 -8.050 381 HA ASP 53 HA ASP 53 5.330 17.042 -9.901 382 HB2 ASP 53 HB2 ASP 53 3.311 18.143 -11.151 383 HB3 ASP 53 HB3 ASP 53 3.310 16.408 -10.846 384 HA PRO 54 HA PRO 54 6.443 21.255 -9.415 385 HB2 PRO 54 HB2 PRO 54 6.659 22.095 -11.987 386 HB3 PRO 54 HB3 PRO 54 7.823 20.998 -11.234 387 HG2 PRO 54 HG2 PRO 54 5.528 20.369 -13.050 388 HG3 PRO 54 HG3 PRO 54 7.174 19.711 -13.059 389 HD2 PRO 54 HD2 PRO 54 5.076 18.374 -11.989 390 HD3 PRO 54 HD3 PRO 54 6.726 18.231 -11.350 391 H SER 55 H SER 55 3.505 20.416 -10.942 392 HA SER 55 HA SER 55 2.602 23.142 -11.324 393 HB2 SER 55 HB2 SER 55 1.239 20.466 -11.667 394 HB3 SER 55 HB3 SER 55 0.427 22.007 -11.939 395 HG SER 55 HG SER 55 1.616 22.348 -13.696 396 H TRP 56 H TRP 56 2.389 20.640 -8.930 397 HA TRP 56 HA TRP 56 0.269 22.010 -7.476 398 HB2 TRP 56 HB2 TRP 56 1.603 19.353 -7.284 399 HB3 TRP 56 HB3 TRP 56 0.908 20.027 -5.813 400 HD1 TRP 56 HD1 TRP 56 -0.822 20.645 -9.157 401 HE1 TRP 56 HE1 TRP 56 -3.063 19.379 -9.177 402 HE3 TRP 56 HE3 TRP 56 -0.278 17.962 -4.839 403 HZ2 TRP 56 HZ2 TRP 56 -4.421 17.493 -7.574 404 HZ3 TRP 56 HZ3 TRP 56 -2.094 16.450 -4.153 405 HH2 TRP 56 HH2 TRP 56 -4.122 16.222 -5.494 406 H TYR 57 H TYR 57 3.693 21.806 -7.535 407 HA TYR 57 HA TYR 57 4.433 22.273 -4.920 408 HB2 TYR 57 HB2 TYR 57 6.102 21.899 -6.614 409 HB3 TYR 57 HB3 TYR 57 5.630 23.360 -7.473 410 HD1 TYR 57 HD2 TYR 57 6.281 22.804 -3.843 411 HD2 TYR 57 HD1 TYR 57 7.480 24.763 -7.424 412 HE1 TYR 57 HE2 TYR 57 7.954 24.084 -2.575 413 HE2 TYR 57 HE1 TYR 57 9.158 26.048 -6.166 414 HH TYR 57 HH TYR 57 10.470 25.677 -3.940 415 H ASP 58 H ASP 58 3.472 24.653 -7.373 416 HA ASP 58 HA ASP 58 3.824 26.942 -5.782 417 HB2 ASP 58 HB2 ASP 58 3.608 27.314 -8.098 418 HB3 ASP 58 HB3 ASP 58 2.132 26.359 -8.201 419 H ILE 59 H ILE 59 1.289 24.579 -5.917 420 HA ILE 59 HA ILE 59 -0.644 26.197 -4.521 421 HB ILE 59 HB ILE 59 -0.635 23.232 -5.094 422 HG12 ILE 59 HG12 ILE 59 -2.339 25.319 -6.432 423 HG13 ILE 59 HG13 ILE 59 -0.721 24.954 -7.023 424 HG21 ILE 59 HG21 ILE 59 -2.049 23.594 -3.225 425 HG22 ILE 59 HG22 ILE 59 -2.747 25.041 -3.949 426 HG23 ILE 59 HG23 ILE 59 -3.101 23.455 -4.634 427 HD11 ILE 59 HD11 ILE 59 -2.322 22.570 -6.610 428 HD12 ILE 59 HD12 ILE 59 -3.043 23.694 -7.763 429 HD13 ILE 59 HD13 ILE 59 -1.405 23.094 -8.023 430 H VAL 60 H VAL 60 1.310 23.331 -3.710 431 HA VAL 60 HA VAL 60 0.531 23.253 -0.987 432 HB VAL 60 HB VAL 60 2.455 21.738 -0.672 433 HG11 VAL 60 HG11 VAL 60 1.520 20.564 -3.125 434 HG12 VAL 60 HG12 VAL 60 1.160 20.112 -1.457 435 HG13 VAL 60 HG13 VAL 60 0.190 21.342 -2.268 436 HG21 VAL 60 HG21 VAL 60 3.665 21.103 -2.855 437 HG22 VAL 60 HG22 VAL 60 3.126 22.677 -3.439 438 HG23 VAL 60 HG23 VAL 60 4.165 22.573 -2.018 439 H GLU 61 H GLU 61 2.867 25.108 -2.727 440 HA GLU 61 HA GLU 61 4.464 25.783 -0.428 441 HB2 GLU 61 HB2 GLU 61 5.572 25.786 -2.545 442 HB3 GLU 61 HB3 GLU 61 4.362 26.852 -3.247 443 HG2 GLU 61 HG2 GLU 61 5.914 27.826 -0.910 444 HG3 GLU 61 HG3 GLU 61 6.713 27.744 -2.479 445 H GLN 62 H GLN 62 1.719 27.124 -2.118 446 HA GLN 62 HA GLN 62 1.845 29.614 -0.621 447 HB2 GLN 62 HB2 GLN 62 0.016 30.352 -1.981 448 HB3 GLN 62 HB3 GLN 62 1.179 29.556 -3.032 449 HG2 GLN 62 HG2 GLN 62 -0.179 27.590 -3.154 450 HG3 GLN 62 HG3 GLN 62 -1.287 28.227 -1.940 451 HE21 GLN 62 HE21 GLN 62 -0.191 28.475 -5.235 452 HE22 GLN 62 HE22 GLN 62 -1.533 29.389 -5.824 453 H HIS 63 H HIS 63 0.225 26.559 -0.535 454 HA HIS 63 HA HIS 63 -1.754 27.514 1.388 455 HB2 HIS 63 HB2 HIS 63 -2.315 25.906 -0.508 456 HB3 HIS 63 HB3 HIS 63 -1.420 24.686 0.392 457 HD1 HIS 63 HD1 HIS 63 -3.106 23.188 1.402 458 HD2 HIS 63 HD2 HIS 63 -4.204 27.182 1.715 459 HE1 HIS 63 HE1 HIS 63 -5.234 23.197 2.741 460 H ASN 64 H ASN 64 1.337 26.870 1.661 461 HA ASN 64 HA ASN 64 1.045 25.780 4.358 462 HB2 ASN 64 HB2 ASN 64 1.761 24.057 2.447 463 HB3 ASN 64 HB3 ASN 64 3.345 24.755 2.767 464 HD21 ASN 64 HD21 ASN 64 0.544 23.726 4.695 465 HD22 ASN 64 HD22 ASN 64 1.456 22.794 5.828 466 H GLU 65 H GLU 65 2.673 26.401 5.803 467 HA GLU 65 HA GLU 65 4.416 28.561 4.813 468 HB2 GLU 65 HB2 GLU 65 4.241 29.615 6.968 469 HB3 GLU 65 HB3 GLU 65 2.619 29.274 6.384 470 HG2 GLU 65 HG2 GLU 65 2.536 27.282 7.812 471 HG3 GLU 65 HG3 GLU 65 4.145 27.667 8.420 472 H ILE 66 H ILE 66 6.538 28.679 5.551 473 HA ILE 66 HA ILE 66 7.541 26.208 6.802 474 HB ILE 66 HB ILE 66 9.750 26.871 5.741 475 HG12 ILE 66 HG12 ILE 66 8.009 28.563 3.947 476 HG13 ILE 66 HG13 ILE 66 8.933 29.242 5.283 477 HG21 ILE 66 HG21 ILE 66 7.620 25.390 4.793 478 HG22 ILE 66 HG22 ILE 66 8.069 26.405 3.422 479 HG23 ILE 66 HG23 ILE 66 9.272 25.358 4.175 480 HD11 ILE 66 HD11 ILE 66 9.786 28.581 2.636 481 HD12 ILE 66 HD12 ILE 66 10.653 29.436 3.912 482 HD13 ILE 66 HD13 ILE 66 10.732 27.677 3.818 483 H SER 67 H SER 67 8.686 26.331 8.641 484 HA SER 67 HA SER 67 8.998 28.959 9.866 485 HB2 SER 67 HB2 SER 67 8.179 26.537 10.882 486 HB3 SER 67 HB3 SER 67 9.852 26.628 11.432 487 HG SER 67 HG SER 67 7.686 28.315 12.018 488 H ASP 68 H ASP 68 11.069 28.676 11.555 489 HA ASP 68 HA ASP 68 13.308 29.225 9.970 490 HB2 ASP 68 HB2 ASP 68 12.969 28.592 12.892 491 HB3 ASP 68 HB3 ASP 68 14.566 28.862 12.199 492 H GLU 69 H GLU 69 12.164 26.242 11.399 493 HA GLU 69 HA GLU 69 14.593 24.798 10.813 494 HB2 GLU 69 HB2 GLU 69 13.353 22.829 11.612 495 HB3 GLU 69 HB3 GLU 69 13.269 24.163 12.754 496 HG2 GLU 69 HG2 GLU 69 11.031 24.726 11.875 497 HG3 GLU 69 HG3 GLU 69 11.118 23.309 10.831 498 H GLU 70 H GLU 70 11.347 25.079 9.451 499 HA GLU 70 HA GLU 70 11.662 23.062 7.485 500 HB2 GLU 70 HB2 GLU 70 9.508 24.245 8.375 501 HB3 GLU 70 HB3 GLU 70 9.845 25.415 7.107 502 HG2 GLU 70 HG2 GLU 70 8.275 23.793 6.300 503 HG3 GLU 70 HG3 GLU 70 9.807 23.594 5.451 504 H ASN 71 H ASN 71 11.647 26.616 7.144 505 HA ASN 71 HA ASN 71 12.467 26.696 4.481 506 HB2 ASN 71 HB2 ASN 71 11.553 28.615 5.834 507 HB3 ASN 71 HB3 ASN 71 13.141 28.763 6.581 508 HD21 ASN 71 HD21 ASN 71 13.157 30.911 5.720 509 HD22 ASN 71 HD22 ASN 71 13.599 31.178 4.072 510 H ASP 72 H ASP 72 14.267 26.088 7.365 511 HA ASP 72 HA ASP 72 16.845 26.787 6.449 512 HB2 ASP 72 HB2 ASP 72 16.667 26.497 8.768 513 HB3 ASP 72 HB3 ASP 72 15.825 24.959 8.605 514 H MET 73 H MET 73 15.280 23.588 6.676 515 HA MET 73 HA MET 73 17.252 22.076 5.475 516 HB2 MET 73 HB2 MET 73 14.322 21.809 5.817 517 HB3 MET 73 HB3 MET 73 15.055 20.789 4.586 518 HG2 MET 73 HG2 MET 73 14.971 19.552 6.611 519 HG3 MET 73 HG3 MET 73 16.654 19.973 6.301 520 HE1 MET 73 HE1 MET 73 16.970 19.242 9.060 521 HE2 MET 73 HE2 MET 73 15.908 19.959 10.272 522 HE3 MET 73 HE3 MET 73 15.232 18.949 8.993 523 H LEU 74 H LEU 74 14.799 24.100 3.984 524 HA LEU 74 HA LEU 74 15.087 23.216 1.335 525 HB2 LEU 74 HB2 LEU 74 13.217 24.576 2.008 526 HB3 LEU 74 HB3 LEU 74 14.292 25.906 2.433 527 HG LEU 74 HG LEU 74 14.918 25.690 -0.151 528 HD11 LEU 74 HD11 LEU 74 12.886 25.253 -1.455 529 HD12 LEU 74 HD12 LEU 74 12.063 24.738 0.017 530 HD13 LEU 74 HD13 LEU 74 13.441 23.820 -0.590 531 HD21 LEU 74 HD21 LEU 74 13.989 27.640 1.184 532 HD22 LEU 74 HD22 LEU 74 12.391 27.090 0.681 533 HD23 LEU 74 HD23 LEU 74 13.575 27.586 -0.530 534 H ASP 75 H ASP 75 16.872 25.578 3.230 535 HA ASP 75 HA ASP 75 18.385 26.601 1.034 536 HB2 ASP 75 HB2 ASP 75 18.123 27.136 3.845 537 HB3 ASP 75 HB3 ASP 75 19.830 27.000 3.432 538 H LEU 76 H LEU 76 18.692 23.892 3.179 539 HA LEU 76 HA LEU 76 21.460 23.412 2.406 540 HB2 LEU 76 HB2 LEU 76 19.580 22.202 4.388 541 HB3 LEU 76 HB3 LEU 76 21.013 21.311 3.880 542 HG LEU 76 HG LEU 76 21.415 22.461 5.978 543 HD11 LEU 76 HD11 LEU 76 23.039 24.195 4.292 544 HD12 LEU 76 HD12 LEU 76 23.036 22.512 3.766 545 HD13 LEU 76 HD13 LEU 76 23.523 22.920 5.411 546 HD21 LEU 76 HD21 LEU 76 20.948 25.044 4.501 547 HD22 LEU 76 HD22 LEU 76 21.302 24.831 6.216 548 HD23 LEU 76 HD23 LEU 76 19.757 24.288 5.559 549 H ALA 77 H ALA 77 18.793 23.073 0.772 550 HA ALA 77 HA ALA 77 19.016 20.285 -0.014 551 HB1 ALA 77 HB1 ALA 77 17.248 22.393 -1.234 552 HB2 ALA 77 HB2 ALA 77 17.069 20.641 -1.329 553 HB3 ALA 77 HB3 ALA 77 16.814 21.472 0.206 554 H PHE 78 H PHE 78 21.137 20.299 -0.888 555 HA PHE 78 HA PHE 78 21.633 21.959 -3.228 556 HB2 PHE 78 HB2 PHE 78 23.321 21.324 -1.308 557 HB3 PHE 78 HB3 PHE 78 23.549 19.869 -2.272 558 HD1 PHE 78 HD1 PHE 78 23.514 23.578 -2.613 559 HD2 PHE 78 HD2 PHE 78 25.127 19.872 -3.948 560 HE1 PHE 78 HE1 PHE 78 25.094 24.790 -4.059 561 HE2 PHE 78 HE2 PHE 78 26.710 21.079 -5.395 562 HZ PHE 78 HZ PHE 78 26.695 23.541 -5.451 563 H GLY 79 H GLY 79 21.055 21.295 -5.182 564 HA2 GLY 79 HA2 GLY 79 21.170 19.815 -7.021 565 HA3 GLY 79 HA3 GLY 79 21.419 18.482 -5.902 566 H LEU 80 H LEU 80 19.200 19.173 -4.180 567 HA LEU 80 HA LEU 80 17.183 17.642 -5.298 568 HB2 LEU 80 HB2 LEU 80 17.502 18.307 -2.878 569 HB3 LEU 80 HB3 LEU 80 16.716 19.830 -3.287 570 HG LEU 80 HG LEU 80 14.847 18.124 -4.174 571 HD11 LEU 80 HD11 LEU 80 16.387 16.666 -2.054 572 HD12 LEU 80 HD12 LEU 80 15.806 16.074 -3.610 573 HD13 LEU 80 HD13 LEU 80 14.663 16.386 -2.304 574 HD21 LEU 80 HD21 LEU 80 15.196 19.012 -1.312 575 HD22 LEU 80 HD22 LEU 80 13.680 18.513 -2.062 576 HD23 LEU 80 HD23 LEU 80 14.501 19.972 -2.618 577 H THR 81 H THR 81 15.095 18.172 -6.105 578 HA THR 81 HA THR 81 15.134 20.450 -7.887 579 HB THR 81 HB THR 81 12.809 19.508 -8.518 580 HG1 THR 81 HG1 THR 81 12.531 17.322 -7.899 581 HG21 THR 81 HG21 THR 81 15.466 18.765 -9.237 582 HG22 THR 81 HG22 THR 81 14.010 18.749 -10.233 583 HG23 THR 81 HG23 THR 81 14.449 17.326 -9.288 584 H ASP 82 H ASP 82 13.102 21.774 -8.120 585 HA ASP 82 HA ASP 82 12.450 22.906 -5.542 586 HB2 ASP 82 HB2 ASP 82 11.241 23.803 -8.141 587 HB3 ASP 82 HB3 ASP 82 11.617 24.755 -6.707 588 H THR 83 H THR 83 11.282 20.337 -7.144 589 HA THR 83 HA THR 83 8.472 20.843 -6.451 590 HB THR 83 HB THR 83 7.832 19.128 -7.934 591 HG1 THR 83 HG1 THR 83 9.143 17.509 -8.550 592 HG21 THR 83 HG21 THR 83 8.900 19.715 -10.059 593 HG22 THR 83 HG22 THR 83 10.218 20.496 -9.185 594 HG23 THR 83 HG23 THR 83 8.584 21.153 -9.089 595 H SER 84 H SER 84 11.257 19.067 -5.520 596 HA SER 84 HA SER 84 9.847 16.995 -4.103 597 HB2 SER 84 HB2 SER 84 11.972 16.322 -4.843 598 HB3 SER 84 HB3 SER 84 12.734 17.819 -4.306 599 HG SER 84 HG SER 84 11.609 15.883 -2.564 600 H ARG 85 H ARG 85 9.096 17.060 -2.087 601 HA ARG 85 HA ARG 85 9.941 19.295 -0.361 602 HB2 ARG 85 HB2 ARG 85 7.254 17.942 -0.201 603 HB3 ARG 85 HB3 ARG 85 7.745 19.474 0.508 604 HG2 ARG 85 HG2 ARG 85 7.387 18.917 -2.429 605 HG3 ARG 85 HG3 ARG 85 6.281 19.822 -1.394 606 HD2 ARG 85 HD2 ARG 85 9.082 20.566 -2.206 607 HD3 ARG 85 HD3 ARG 85 7.583 21.409 -2.597 608 HE ARG 85 HE ARG 85 7.625 21.502 0.094 609 HH11 ARG 85 HH11 ARG 85 9.992 22.296 -2.333 610 HH12 ARG 85 HH12 ARG 85 10.746 23.531 -1.380 611 HH21 ARG 85 HH21 ARG 85 8.609 23.126 1.358 612 HH22 ARG 85 HH22 ARG 85 9.959 24.002 0.720 613 H LEU 86 H LEU 86 10.515 18.852 1.711 614 HA LEU 86 HA LEU 86 11.301 17.628 3.461 615 HB2 LEU 86 HB2 LEU 86 8.788 17.348 3.642 616 HB3 LEU 86 HB3 LEU 86 9.007 15.764 2.901 617 HG LEU 86 HG LEU 86 10.718 15.501 4.931 618 HD11 LEU 86 HD11 LEU 86 10.531 16.999 6.551 619 HD12 LEU 86 HD12 LEU 86 8.788 16.746 6.636 620 HD13 LEU 86 HD13 LEU 86 9.452 17.940 5.521 621 HD21 LEU 86 HD21 LEU 86 8.985 14.302 6.104 622 HD22 LEU 86 HD22 LEU 86 8.793 14.056 4.368 623 HD23 LEU 86 HD23 LEU 86 7.734 15.179 5.223 624 H GLY 87 H GLY 87 12.160 16.922 0.706 625 HA2 GLY 87 HA2 GLY 87 13.063 14.169 1.287 626 HA3 GLY 87 HA3 GLY 87 12.633 14.689 -0.336 627 H CYS 88 H CYS 88 15.034 13.599 -0.107 628 HA CYS 88 HA CYS 88 16.862 15.903 -0.229 629 HB2 CYS 88 HB2 CYS 88 17.464 13.145 0.857 630 HB3 CYS 88 HB3 CYS 88 18.670 14.398 0.589 631 HG CYS 88 HG CYS 88 18.202 14.301 3.314 632 H GLN 89 H GLN 89 16.050 12.688 -1.410 633 HA GLN 89 HA GLN 89 17.646 13.249 -3.822 634 HB2 GLN 89 HB2 GLN 89 18.291 11.285 -2.175 635 HB3 GLN 89 HB3 GLN 89 17.004 10.443 -3.028 636 HG2 GLN 89 HG2 GLN 89 18.344 11.361 -5.133 637 HG3 GLN 89 HG3 GLN 89 19.671 11.298 -3.975 638 HE21 GLN 89 HE21 GLN 89 20.619 9.666 -5.277 639 HE22 GLN 89 HE22 GLN 89 20.057 8.034 -5.196 640 H ILE 90 H ILE 90 14.795 13.806 -3.159 641 HA ILE 90 HA ILE 90 12.704 13.589 -4.057 642 HB ILE 90 HB ILE 90 13.749 12.784 -6.698 643 HG12 ILE 90 HG12 ILE 90 14.591 15.371 -5.374 644 HG13 ILE 90 HG13 ILE 90 15.658 14.056 -5.856 645 HG21 ILE 90 HG21 ILE 90 11.826 13.746 -7.243 646 HG22 ILE 90 HG22 ILE 90 11.593 14.288 -5.582 647 HG23 ILE 90 HG23 ILE 90 12.481 15.299 -6.723 648 HD11 ILE 90 HD11 ILE 90 14.141 14.851 -8.120 649 HD12 ILE 90 HD12 ILE 90 14.827 16.290 -7.364 650 HD13 ILE 90 HD13 ILE 90 15.881 14.963 -7.854 651 H ILE 91 H ILE 91 12.094 11.709 -2.905 652 HA ILE 91 HA ILE 91 12.062 9.265 -4.553 653 HB ILE 91 HB ILE 91 11.812 8.065 -2.294 654 HG12 ILE 91 HG12 ILE 91 13.089 10.638 -1.341 655 HG13 ILE 91 HG13 ILE 91 11.442 10.136 -0.976 656 HG21 ILE 91 HG21 ILE 91 13.854 7.410 -2.860 657 HG22 ILE 91 HG22 ILE 91 14.079 8.879 -3.808 658 HG23 ILE 91 HG23 ILE 91 14.522 8.854 -2.101 659 HD11 ILE 91 HD11 ILE 91 13.504 8.169 -0.296 660 HD12 ILE 91 HD12 ILE 91 13.578 9.680 0.612 661 HD13 ILE 91 HD13 ILE 91 12.101 8.717 0.621 662 H LEU 92 H LEU 92 10.091 8.830 -5.266 663 HA LEU 92 HA LEU 92 7.747 10.087 -4.534 664 HB2 LEU 92 HB2 LEU 92 7.959 7.264 -5.565 665 HB3 LEU 92 HB3 LEU 92 6.572 8.343 -5.708 666 HG LEU 92 HG LEU 92 9.026 9.397 -6.910 667 HD11 LEU 92 HD11 LEU 92 7.762 7.263 -8.526 668 HD12 LEU 92 HD12 LEU 92 8.888 6.763 -7.265 669 HD13 LEU 92 HD13 LEU 92 9.419 7.865 -8.535 670 HD21 LEU 92 HD21 LEU 92 6.211 8.974 -7.908 671 HD22 LEU 92 HD22 LEU 92 7.468 9.894 -8.736 672 HD23 LEU 92 HD23 LEU 92 6.849 10.448 -7.179 673 H THR 93 H THR 93 5.754 8.857 -3.672 674 HA THR 93 HA THR 93 6.263 6.928 -1.594 675 HB THR 93 HB THR 93 6.835 8.654 -0.162 676 HG1 THR 93 HG1 THR 93 5.121 8.794 1.236 677 HG21 THR 93 HG21 THR 93 6.442 10.492 -1.729 678 HG22 THR 93 HG22 THR 93 5.774 10.865 -0.140 679 HG23 THR 93 HG23 THR 93 4.706 10.366 -1.452 680 H LYS 94 H LYS 94 4.263 6.259 -0.492 681 HA LYS 94 HA LYS 94 2.181 5.770 -2.277 682 HB2 LYS 94 HB2 LYS 94 2.189 4.258 -0.548 683 HB3 LYS 94 HB3 LYS 94 2.547 5.481 0.664 684 HG2 LYS 94 HG2 LYS 94 0.301 6.191 0.756 685 HG3 LYS 94 HG3 LYS 94 -0.118 5.303 -0.711 686 HD2 LYS 94 HD2 LYS 94 1.005 3.627 1.409 687 HD3 LYS 94 HD3 LYS 94 -0.512 4.415 1.850 688 HE2 LYS 94 HE2 LYS 94 -0.796 3.440 -0.791 689 HE3 LYS 94 HE3 LYS 94 -0.087 2.146 0.173 690 HZ1 LYS 94 HZ1 LYS 94 -2.720 3.380 0.369 691 HZ2 LYS 94 HZ2 LYS 94 -1.980 2.940 1.825 692 HZ3 LYS 94 HZ3 LYS 94 -2.254 1.774 0.630 693 H GLU 95 H GLU 95 2.843 8.543 -0.380 694 HA GLU 95 HA GLU 95 0.342 9.607 0.124 695 HB2 GLU 95 HB2 GLU 95 3.058 10.609 -0.083 696 HB3 GLU 95 HB3 GLU 95 1.891 11.793 -0.656 697 HG2 GLU 95 HG2 GLU 95 0.814 10.785 1.711 698 HG3 GLU 95 HG3 GLU 95 2.533 11.006 2.031 699 H LEU 96 H LEU 96 1.990 9.223 -2.893 700 HA LEU 96 HA LEU 96 0.114 10.984 -4.280 701 HB2 LEU 96 HB2 LEU 96 2.464 9.428 -5.349 702 HB3 LEU 96 HB3 LEU 96 1.507 10.607 -6.244 703 HG LEU 96 HG LEU 96 2.299 12.247 -4.372 704 HD11 LEU 96 HD11 LEU 96 4.701 11.599 -3.758 705 HD12 LEU 96 HD12 LEU 96 4.208 9.948 -4.132 706 HD13 LEU 96 HD13 LEU 96 3.385 10.846 -2.857 707 HD21 LEU 96 HD21 LEU 96 3.484 13.108 -6.043 708 HD22 LEU 96 HD22 LEU 96 3.148 11.634 -6.953 709 HD23 LEU 96 HD23 LEU 96 4.630 11.767 -6.004 710 H ASP 97 H ASP 97 -0.644 8.383 -3.052 711 HA ASP 97 HA ASP 97 -1.059 6.461 -5.086 712 HB2 ASP 97 HB2 ASP 97 -2.646 5.432 -3.510 713 HB3 ASP 97 HB3 ASP 97 -1.137 5.870 -2.713 714 H GLY 98 H GLY 98 -2.311 6.665 -6.814 715 HA2 GLY 98 HA2 GLY 98 -4.267 6.987 -8.019 716 HA3 GLY 98 HA3 GLY 98 -5.027 7.607 -6.561 717 H LEU 99 H LEU 99 -2.089 9.131 -7.104 718 HA LEU 99 HA LEU 99 -3.465 11.424 -8.338 719 HB2 LEU 99 HB2 LEU 99 -1.261 11.248 -6.315 720 HB3 LEU 99 HB3 LEU 99 -1.495 12.706 -7.277 721 HG LEU 99 HG LEU 99 -3.880 12.721 -6.366 722 HD11 LEU 99 HD11 LEU 99 -4.075 10.517 -5.506 723 HD12 LEU 99 HD12 LEU 99 -4.065 11.610 -4.123 724 HD13 LEU 99 HD13 LEU 99 -2.614 10.696 -4.534 725 HD21 LEU 99 HD21 LEU 99 -3.154 14.293 -4.961 726 HD22 LEU 99 HD22 LEU 99 -1.527 13.838 -5.468 727 HD23 LEU 99 HD23 LEU 99 -2.227 13.133 -4.009 728 H CYS 100 H CYS 100 -2.336 12.681 -9.880 729 HA CYS 100 HA CYS 100 -0.281 11.156 -11.318 730 HB2 CYS 100 HB2 CYS 100 -0.877 12.595 -13.255 731 HB3 CYS 100 HB3 CYS 100 -2.239 11.659 -12.650 732 HG CYS 100 HG CYS 100 -3.731 13.657 -11.823 733 H VAL 101 H VAL 101 1.751 11.854 -11.398 734 HA VAL 101 HA VAL 101 2.322 14.696 -10.978 735 HB VAL 101 HB VAL 101 4.106 14.236 -9.399 736 HG11 VAL 101 HG11 VAL 101 1.924 12.729 -8.110 737 HG12 VAL 101 HG12 VAL 101 2.752 14.199 -7.593 738 HG13 VAL 101 HG13 VAL 101 1.480 14.284 -8.812 739 HG21 VAL 101 HG21 VAL 101 3.209 11.357 -9.490 740 HG22 VAL 101 HG22 VAL 101 4.683 11.986 -10.226 741 HG23 VAL 101 HG23 VAL 101 4.485 12.027 -8.474 742 H ILE 102 H ILE 102 4.680 15.172 -11.426 743 HA ILE 102 HA ILE 102 5.392 13.897 -13.928 744 HB ILE 102 HB ILE 102 6.736 16.181 -12.478 745 HG12 ILE 102 HG12 ILE 102 4.422 16.691 -13.157 746 HG13 ILE 102 HG13 ILE 102 5.591 17.623 -14.087 747 HG21 ILE 102 HG21 ILE 102 8.343 15.271 -13.921 748 HG22 ILE 102 HG22 ILE 102 7.155 14.952 -15.184 749 HG23 ILE 102 HG23 ILE 102 7.639 16.610 -14.827 750 HD11 ILE 102 HD11 ILE 102 4.752 16.844 -15.974 751 HD12 ILE 102 HD12 ILE 102 5.023 15.181 -15.452 752 HD13 ILE 102 HD13 ILE 102 3.516 15.999 -15.043 753 H LEU 103 H LEU 103 7.364 12.889 -14.374 754 HA LEU 103 HA LEU 103 8.385 11.214 -12.365 755 HB2 LEU 103 HB2 LEU 103 8.433 11.009 -14.955 756 HB3 LEU 103 HB3 LEU 103 9.950 11.897 -14.821 757 HG LEU 103 HG LEU 103 10.783 10.080 -13.314 758 HD11 LEU 103 HD11 LEU 103 9.600 7.930 -13.376 759 HD12 LEU 103 HD12 LEU 103 8.263 8.701 -14.228 760 HD13 LEU 103 HD13 LEU 103 8.654 9.187 -12.578 761 HD21 LEU 103 HD21 LEU 103 11.718 9.166 -15.117 762 HD22 LEU 103 HD22 LEU 103 10.669 10.212 -16.074 763 HD23 LEU 103 HD23 LEU 103 10.171 8.560 -15.708 764 HA PRO 104 HA PRO 104 11.253 13.874 -10.317 765 HB2 PRO 104 HB2 PRO 104 12.702 11.956 -9.056 766 HB3 PRO 104 HB3 PRO 104 11.078 12.427 -8.541 767 HG2 PRO 104 HG2 PRO 104 11.935 10.084 -10.195 768 HG3 PRO 104 HG3 PRO 104 10.751 10.150 -8.876 769 HD2 PRO 104 HD2 PRO 104 10.026 10.142 -11.485 770 HD3 PRO 104 HD3 PRO 104 9.093 10.993 -10.237 771 H THR 105 H THR 105 12.542 10.981 -11.945 772 HA THR 105 HA THR 105 14.894 12.576 -12.732 773 HB THR 105 HB THR 105 16.213 10.556 -12.800 774 HG1 THR 105 HG1 THR 105 14.725 9.012 -13.413 775 HG21 THR 105 HG21 THR 105 14.992 11.564 -10.421 776 HG22 THR 105 HG22 THR 105 16.605 10.881 -10.632 777 HG23 THR 105 HG23 THR 105 15.245 9.828 -10.244 778 H GLU 106 H GLU 106 15.984 11.074 -14.666 779 HA GLU 106 HA GLU 106 13.889 11.016 -16.734 780 HB2 GLU 106 HB2 GLU 106 16.861 11.467 -17.061 781 HB3 GLU 106 HB3 GLU 106 15.669 11.488 -18.353 782 HG2 GLU 106 HG2 GLU 106 14.668 13.465 -17.519 783 HG3 GLU 106 HG3 GLU 106 15.580 13.370 -16.014 784 H THR 107 H THR 107 13.901 8.763 -15.372 785 HA THR 107 HA THR 107 15.621 6.866 -16.814 786 HB THR 107 HB THR 107 13.937 6.286 -14.375 787 HG1 THR 107 HG1 THR 107 15.801 6.650 -13.176 788 HG21 THR 107 HG21 THR 107 14.565 4.179 -14.729 789 HG22 THR 107 HG22 THR 107 16.250 4.670 -14.564 790 HG23 THR 107 HG23 THR 107 15.484 4.669 -16.151 791 H ARG 108 H ARG 108 14.693 6.089 -18.594 792 HA ARG 108 HA ARG 108 11.826 5.412 -18.493 793 HB2 ARG 108 HB2 ARG 108 11.972 5.589 -21.030 794 HB3 ARG 108 HB3 ARG 108 12.069 7.096 -20.127 795 HG2 ARG 108 HG2 ARG 108 14.263 7.437 -20.657 796 HG3 ARG 108 HG3 ARG 108 14.602 5.714 -20.834 797 HD2 ARG 108 HD2 ARG 108 14.344 5.892 -23.030 798 HD3 ARG 108 HD3 ARG 108 12.678 6.416 -22.789 799 HE ARG 108 HE ARG 108 14.925 8.060 -23.477 800 HH11 ARG 108 HH11 ARG 108 11.796 8.009 -21.953 801 HH12 ARG 108 HH12 ARG 108 11.497 9.695 -22.212 802 HH21 ARG 108 HH21 ARG 108 14.544 10.282 -23.825 803 HH22 ARG 108 HH22 ARG 108 13.061 10.987 -23.278 804 H ASN 109 H ASN 109 15.041 4.307 -19.200 805 HA ASN 109 HA ASN 109 14.422 1.968 -20.633 806 HB2 ASN 109 HB2 ASN 109 16.684 2.749 -20.627 807 HB3 ASN 109 HB3 ASN 109 16.768 2.679 -18.869 808 HD21 ASN 109 HD21 ASN 109 18.646 1.384 -19.113 809 HD22 ASN 109 HD22 ASN 109 18.512 -0.299 -19.479 810 H ILE 110 H ILE 110 12.742 0.822 -19.740 811 HA ILE 110 HA ILE 110 13.357 -1.082 -17.766 812 HB ILE 110 HB ILE 110 13.139 0.724 -16.171 813 HG12 ILE 110 HG12 ILE 110 10.585 -0.875 -16.018 814 HG13 ILE 110 HG13 ILE 110 12.164 -1.594 -15.720 815 HG21 ILE 110 HG21 ILE 110 11.021 1.548 -17.911 816 HG22 ILE 110 HG22 ILE 110 10.411 1.397 -16.264 817 HG23 ILE 110 HG23 ILE 110 11.795 2.438 -16.600 818 HD11 ILE 110 HD11 ILE 110 12.525 0.001 -13.895 819 HD12 ILE 110 HD12 ILE 110 10.918 0.670 -14.180 820 HD13 ILE 110 HD13 ILE 110 11.095 -1.000 -13.641 821 H SER 111 H SER 111 11.967 -2.767 -17.881 822 HA SER 111 HA SER 111 9.233 -2.631 -18.463 823 HB2 SER 111 HB2 SER 111 9.307 -3.581 -20.803 824 HB3 SER 111 HB3 SER 111 9.792 -1.891 -20.674 825 HG SER 111 HG SER 111 11.960 -2.576 -20.746 826 H PHE 112 H PHE 112 8.596 -4.358 -17.373 827 HA PHE 112 HA PHE 112 9.234 -6.988 -18.119 828 HB2 PHE 112 HB2 PHE 112 11.344 -6.038 -16.796 829 HB3 PHE 112 HB3 PHE 112 10.368 -6.503 -15.407 830 HD1 PHE 112 HD1 PHE 112 11.563 -7.874 -18.661 831 HD2 PHE 112 HD2 PHE 112 10.548 -8.648 -14.600 832 HE1 PHE 112 HE1 PHE 112 12.313 -10.202 -18.921 833 HE2 PHE 112 HE2 PHE 112 11.298 -10.977 -14.853 834 HZ PHE 112 HZ PHE 112 12.181 -11.758 -17.016 835 H VAL 113 H VAL 113 8.521 -8.578 -16.280 836 HA VAL 113 HA VAL 113 5.910 -7.645 -15.405 837 HB VAL 113 HB VAL 113 5.452 -9.981 -14.857 838 HG11 VAL 113 HG11 VAL 113 6.415 -9.150 -17.521 839 HG12 VAL 113 HG12 VAL 113 6.181 -10.882 -17.279 840 HG13 VAL 113 HG13 VAL 113 4.839 -9.766 -17.023 841 HG21 VAL 113 HG21 VAL 113 7.082 -11.401 -14.355 842 HG22 VAL 113 HG22 VAL 113 7.717 -11.272 -15.996 843 HG23 VAL 113 HG23 VAL 113 8.279 -10.165 -14.743 844 H LYS 114 H LYS 114 5.300 -8.965 -13.200 845 HA LYS 114 HA LYS 114 6.482 -7.500 -11.131 846 HB2 LYS 114 HB2 LYS 114 4.766 -9.974 -11.149 847 HB3 LYS 114 HB3 LYS 114 5.339 -9.259 -9.647 848 HG2 LYS 114 HG2 LYS 114 4.291 -7.082 -10.539 849 HG3 LYS 114 HG3 LYS 114 3.427 -8.139 -11.657 850 HD2 LYS 114 HD2 LYS 114 2.314 -9.252 -9.916 851 HD3 LYS 114 HD3 LYS 114 3.435 -8.643 -8.696 852 HE2 LYS 114 HE2 LYS 114 1.794 -6.715 -10.276 853 HE3 LYS 114 HE3 LYS 114 1.045 -7.604 -8.950 854 HZ1 LYS 114 HZ1 LYS 114 1.831 -5.943 -7.704 855 HZ2 LYS 114 HZ2 LYS 114 2.948 -5.440 -8.870 856 HZ3 LYS 114 HZ3 LYS 114 3.328 -6.721 -7.833 857 H ASN 115 H ASN 115 7.177 -8.953 -9.050 858 HA ASN 115 HA ASN 115 9.219 -10.879 -9.876 859 HB2 ASN 115 HB2 ASN 115 10.511 -8.885 -9.805 860 HB3 ASN 115 HB3 ASN 115 9.731 -8.345 -8.321 861 HD21 ASN 115 HD21 ASN 115 11.475 -11.214 -9.481 862 HD22 ASN 115 HD22 ASN 115 12.490 -11.366 -8.091 863 H SER 116 H SER 116 9.905 -12.297 -8.217 864 HA SER 116 HA SER 116 7.915 -13.141 -6.458 865 HB2 SER 116 HB2 SER 116 10.048 -14.367 -7.352 866 HB3 SER 116 HB3 SER 116 10.806 -13.723 -5.896 867 HG SER 116 HG SER 116 9.702 -15.894 -5.836
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