REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2rg7_1_D DATA FIRST_RESID 23 DATA SEQUENCE AERIVVAGGS LTELIYAMGA GERVVGVDET TSYPPETAKL PHIGYWKQLS DATA SEQUENCE SEGILSLRPD SVITWQDAGP QIVLDQLRAQ KVNVVTLPRV PATLEQMYAN DATA SEQUENCE IRQLAKTLQV PEQGDALVTQ INQRLERVQQ NVAAKKAPVK AMFILSAGGS DATA SEQUENCE APQVAGKGSV ADAILSLAGA ENVATHQQYK SYSAESLIAA NPEVIVVTSQ DATA SEQUENCE MVDGDINRLR SIAGITHTAA WKNQRIITVD QNLILGMGPR IADVVESLHQ DATA SEQUENCE QLWPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 23 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 23 A C 0.000 177.568 177.584 -0.027 0.000 1.274 23 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 23 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 24 E N 0.467 120.648 120.200 -0.032 0.000 2.529 24 E HA 0.172 4.523 4.350 0.002 0.000 0.259 24 E C -0.292 176.286 176.600 -0.037 0.000 0.966 24 E CA 0.311 56.691 56.400 -0.033 0.000 0.937 24 E CB 0.292 29.969 29.700 -0.039 0.000 0.923 24 E HN 0.394 8.754 8.360 -0.000 0.000 0.468 25 R N 4.745 125.227 120.500 -0.030 0.000 2.255 25 R HA 0.438 4.779 4.340 0.002 0.000 0.326 25 R C -0.505 175.776 176.300 -0.031 0.000 0.986 25 R CA -0.463 55.620 56.100 -0.028 0.000 0.847 25 R CB 0.963 31.252 30.300 -0.018 0.000 1.111 25 R HN 0.490 8.760 8.270 -0.000 0.000 0.452 26 I N 2.710 123.257 120.570 -0.038 0.000 2.474 26 I HA 0.359 4.530 4.170 0.002 0.000 0.294 26 I C -0.487 175.611 176.117 -0.032 0.000 1.005 26 I CA -1.177 60.098 61.300 -0.041 0.000 1.113 26 I CB 2.272 40.235 38.000 -0.061 0.000 1.289 26 I HN 0.199 8.409 8.210 -0.000 0.000 0.436 27 V N 6.673 126.569 119.914 -0.029 0.000 2.417 27 V HA 0.438 4.559 4.120 0.002 0.000 0.291 27 V C -0.199 175.874 176.094 -0.036 0.000 1.024 27 V CA -0.598 61.688 62.300 -0.024 0.000 0.861 27 V CB 2.126 33.941 31.823 -0.013 0.000 0.985 27 V HN 0.404 8.594 8.190 -0.000 0.000 0.436 28 V N 3.695 123.585 119.914 -0.040 0.000 2.555 28 V HA 0.840 4.962 4.120 0.002 0.000 0.302 28 V C 0.187 176.251 176.094 -0.050 0.000 1.038 28 V CA -0.628 61.635 62.300 -0.062 0.000 0.887 28 V CB 1.790 33.579 31.823 -0.058 0.000 0.991 28 V HN 0.950 9.140 8.190 -0.000 0.000 0.434 29 A N 3.093 125.882 122.820 -0.053 0.000 2.323 29 A HA 0.889 5.211 4.320 0.002 0.000 0.305 29 A C 0.215 177.803 177.584 0.006 0.000 1.275 29 A CA -0.006 52.059 52.037 0.047 0.000 0.804 29 A CB 0.813 19.896 19.000 0.139 0.000 1.152 29 A HN 1.974 10.123 8.150 -0.000 0.000 0.487 30 G N 1.103 109.954 108.800 0.085 0.000 2.897 30 G HA2 0.398 4.360 3.960 0.002 0.000 0.392 30 G HA3 0.398 4.360 3.960 0.002 0.000 0.392 30 G C 0.692 175.627 174.900 0.059 0.000 1.263 30 G CA -0.059 45.081 45.100 0.067 0.000 1.185 30 G HN 1.544 9.834 8.290 -0.000 0.000 0.573 31 G N 1.303 110.207 108.800 0.174 0.000 2.556 31 G HA2 -0.201 3.760 3.960 0.002 0.000 0.220 31 G HA3 -0.201 3.760 3.960 0.002 0.000 0.220 31 G C 2.108 177.075 174.900 0.111 0.000 1.156 31 G CA 2.250 47.427 45.100 0.129 0.000 0.766 31 G HN 1.214 9.504 8.290 -0.000 0.000 0.583 32 S N 0.347 116.144 115.700 0.161 0.000 2.382 32 S HA -0.011 4.460 4.470 0.002 0.000 0.228 32 S C 2.317 176.952 174.600 0.058 0.000 1.027 32 S CA 0.983 59.276 58.200 0.155 0.000 0.991 32 S CB -0.231 63.137 63.200 0.281 0.000 0.823 32 S HN 0.339 8.649 8.310 -0.000 0.000 0.469 33 L N 0.901 122.070 121.223 -0.090 0.000 2.056 33 L HA -0.116 4.225 4.340 0.002 0.000 0.207 33 L C 2.690 179.513 176.870 -0.078 0.000 1.078 33 L CA 1.220 55.924 54.840 -0.227 0.000 0.749 33 L CB -1.258 40.481 42.059 -0.534 0.000 0.901 33 L HN 0.302 8.532 8.230 -0.000 0.000 0.433 34 T N -0.673 113.865 114.554 -0.027 0.000 2.720 34 T HA -0.209 4.142 4.350 0.002 0.000 0.268 34 T C 1.745 176.541 174.700 0.160 0.000 1.037 34 T CA 1.439 63.580 62.100 0.069 0.000 1.144 34 T CB -0.175 68.711 68.868 0.030 0.000 0.864 34 T HN 0.386 8.626 8.240 -0.000 0.000 0.444 35 E N 0.652 120.921 120.200 0.115 0.000 2.051 35 E HA -0.066 4.285 4.350 0.002 0.000 0.192 35 E C 2.301 178.997 176.600 0.159 0.000 0.991 35 E CA 0.879 57.374 56.400 0.158 0.000 0.799 35 E CB -0.310 29.495 29.700 0.176 0.000 0.748 35 E HN 0.423 8.783 8.360 -0.000 0.000 0.449 36 L N 0.770 122.054 121.223 0.101 0.000 2.042 36 L HA -0.218 4.123 4.340 0.002 0.000 0.210 36 L C 2.500 179.405 176.870 0.059 0.000 1.076 36 L CA 0.993 55.876 54.840 0.071 0.000 0.749 36 L CB -0.406 41.671 42.059 0.031 0.000 0.893 36 L HN 0.176 8.406 8.230 -0.000 0.000 0.432 37 I N -1.542 119.060 120.570 0.052 0.000 2.226 37 I HA -0.331 3.840 4.170 0.002 0.000 0.245 37 I C 2.396 178.499 176.117 -0.023 0.000 1.100 37 I CA 1.591 62.888 61.300 -0.006 0.000 1.374 37 I CB -0.309 37.667 38.000 -0.040 0.000 1.057 37 I HN 0.159 8.369 8.210 -0.000 0.000 0.413 38 Y N 0.541 120.825 120.300 -0.025 0.000 2.263 38 Y HA -0.097 4.454 4.550 0.001 0.000 0.292 38 Y C 2.603 178.496 175.900 -0.012 0.000 1.130 38 Y CA 1.116 59.200 58.100 -0.027 0.000 1.179 38 Y CB -0.610 37.825 38.460 -0.042 0.000 0.998 38 Y HN 0.093 8.373 8.280 -0.000 0.000 0.532 39 A N -0.418 122.500 122.820 0.165 0.000 2.070 39 A HA -0.159 4.163 4.320 0.002 0.000 0.220 39 A C 1.879 179.494 177.584 0.053 0.000 1.159 39 A CA 1.430 53.531 52.037 0.107 0.000 0.656 39 A CB -0.654 18.409 19.000 0.106 0.000 0.800 39 A HN 0.449 8.599 8.150 -0.000 0.000 0.453 40 M N -0.797 118.818 119.600 0.025 0.000 2.475 40 M HA 0.226 4.707 4.480 0.002 0.000 0.261 40 M C 0.874 177.155 176.300 -0.032 0.000 1.177 40 M CA 0.466 55.762 55.300 -0.006 0.000 0.979 40 M CB 0.179 32.769 32.600 -0.016 0.000 1.482 40 M HN 0.519 8.809 8.290 -0.000 0.000 0.484 41 G N 1.857 110.634 108.800 -0.038 0.000 2.392 41 G HA2 -0.108 3.853 3.960 0.002 0.000 0.290 41 G HA3 -0.108 3.853 3.960 0.002 0.000 0.290 41 G C 0.195 175.029 174.900 -0.110 0.000 1.032 41 G CA 0.276 45.338 45.100 -0.064 0.000 1.269 41 G HN 0.651 8.941 8.290 -0.000 0.000 0.511 42 A N -0.755 121.950 122.820 -0.192 0.000 2.736 42 A HA 0.670 4.991 4.320 0.002 0.000 0.222 42 A C 2.046 179.391 177.584 -0.398 0.000 1.267 42 A CA 1.123 53.026 52.037 -0.222 0.000 1.026 42 A CB -0.163 18.734 19.000 -0.170 0.000 1.281 42 A HN 1.832 9.982 8.150 -0.000 0.000 0.577 43 G N 0.738 109.143 108.800 -0.659 0.000 2.527 43 G HA2 -0.092 3.869 3.960 0.002 0.000 0.219 43 G HA3 -0.092 3.869 3.960 0.002 0.000 0.219 43 G C 0.986 175.544 174.900 -0.570 0.000 1.117 43 G CA 1.361 45.654 45.100 -1.346 0.000 0.759 43 G HN 0.601 8.891 8.290 -0.000 0.000 0.556 44 E N 0.845 120.865 120.200 -0.300 0.000 2.077 44 E HA -0.097 4.255 4.350 0.002 0.000 0.193 44 E C 2.498 179.023 176.600 -0.125 0.000 0.989 44 E CA 0.891 57.202 56.400 -0.148 0.000 0.800 44 E CB -0.241 29.397 29.700 -0.103 0.000 0.746 44 E HN 0.446 8.806 8.360 -0.000 0.000 0.452 45 R N 0.679 121.089 120.500 -0.151 0.000 2.280 45 R HA 0.084 4.425 4.340 0.002 0.000 0.207 45 R C 0.062 176.308 176.300 -0.091 0.000 1.043 45 R CA 0.200 56.236 56.100 -0.107 0.000 1.006 45 R CB -0.109 30.128 30.300 -0.105 0.000 0.885 45 R HN 0.008 8.278 8.270 -0.000 0.000 0.467 46 V N 2.612 122.456 119.914 -0.117 0.000 2.470 46 V HA -0.024 4.097 4.120 0.002 0.000 0.276 46 V C 1.335 177.431 176.094 0.005 0.000 1.040 46 V CA 0.124 62.396 62.300 -0.046 0.000 1.008 46 V CB 1.361 33.182 31.823 -0.003 0.000 0.990 46 V HN 0.150 8.340 8.190 -0.000 0.000 0.477 47 V N 2.085 122.000 119.914 0.001 0.000 3.661 47 V HA 0.684 4.805 4.120 0.002 0.000 0.271 47 V C 0.704 176.807 176.094 0.015 0.000 1.315 47 V CA 0.794 63.100 62.300 0.010 0.000 1.072 47 V CB 0.263 32.087 31.823 0.001 0.000 0.830 47 V HN 0.870 9.060 8.190 -0.000 0.000 0.443 48 G N -0.048 108.755 108.800 0.005 0.000 2.742 48 G HA2 0.631 4.593 3.960 0.002 0.000 0.296 48 G HA3 0.631 4.593 3.960 0.002 0.000 0.296 48 G C -1.345 173.526 174.900 -0.048 0.000 1.436 48 G CA 0.099 45.193 45.100 -0.010 0.000 0.928 48 G HN 1.080 9.370 8.290 -0.000 0.000 0.520 49 V N -1.526 118.315 119.914 -0.122 0.000 3.167 49 V HA 0.905 5.026 4.120 0.002 0.000 0.310 49 V C -0.694 175.277 176.094 -0.206 0.000 1.207 49 V CA -0.868 61.319 62.300 -0.189 0.000 1.059 49 V CB 1.991 33.622 31.823 -0.320 0.000 1.079 49 V HN 0.924 9.114 8.190 -0.000 0.000 0.446 50 D N -0.632 119.669 120.400 -0.166 0.000 2.478 50 D HA 0.304 4.946 4.640 0.002 0.000 0.263 50 D C 0.478 176.665 176.300 -0.188 0.000 1.153 50 D CA -0.403 53.518 54.000 -0.132 0.000 1.038 50 D CB 1.629 42.421 40.800 -0.013 0.000 1.120 50 D HN 0.696 9.066 8.370 -0.000 0.000 0.564 51 E N -1.144 118.869 120.200 -0.312 0.000 2.418 51 E HA -0.078 4.273 4.350 0.002 0.000 0.197 51 E C 1.378 177.930 176.600 -0.080 0.000 1.026 51 E CA 1.014 57.248 56.400 -0.277 0.000 0.862 51 E CB -0.139 29.104 29.700 -0.762 0.000 0.799 51 E HN 0.658 9.018 8.360 -0.000 0.000 0.518 52 T N -1.844 112.717 114.554 0.013 0.000 3.148 52 T HA 0.015 4.366 4.350 0.002 0.000 0.253 52 T C 0.906 175.691 174.700 0.140 0.000 1.134 52 T CA -0.050 62.157 62.100 0.178 0.000 1.051 52 T CB 0.081 69.171 68.868 0.370 0.000 0.959 52 T HN -0.199 8.041 8.240 -0.000 0.000 0.525 53 T N 2.831 117.420 114.554 0.058 0.000 2.780 53 T HA 0.458 4.809 4.350 0.002 0.000 0.294 53 T C 0.824 175.579 174.700 0.091 0.000 0.949 53 T CA -0.211 61.902 62.100 0.020 0.000 1.074 53 T CB 1.206 69.990 68.868 -0.139 0.000 0.910 53 T HN 0.461 8.701 8.240 -0.000 0.000 0.501 54 S N 2.038 117.809 115.700 0.119 0.000 2.911 54 S HA 0.266 4.737 4.470 0.002 0.000 0.261 54 S C -0.527 174.178 174.600 0.175 0.000 1.021 54 S CA -0.575 57.718 58.200 0.155 0.000 1.222 54 S CB 0.031 63.316 63.200 0.143 0.000 1.171 54 S HN 0.645 8.955 8.310 -0.000 0.000 0.669 55 Y N 2.145 122.421 120.300 -0.040 0.000 2.552 55 Y HA 0.621 5.172 4.550 0.002 0.000 0.337 55 Y C -3.040 172.745 175.900 -0.192 0.000 1.094 55 Y CA -1.531 56.520 58.100 -0.083 0.000 1.028 55 Y CB 2.076 40.513 38.460 -0.038 0.000 1.321 55 Y HN -0.038 8.242 8.280 -0.000 0.000 0.456 56 P HA 0.223 4.643 4.420 -0.000 0.000 0.276 56 P C -2.424 174.483 177.300 -0.655 0.000 1.261 56 P CA -1.224 61.089 63.100 -1.313 0.000 0.800 56 P CB 0.996 32.102 31.700 -0.989 0.000 1.066 57 P HA -0.191 4.229 4.420 -0.000 0.000 0.218 57 P C 1.091 178.286 177.300 -0.174 0.000 1.146 57 P CA 1.629 64.600 63.100 -0.215 0.000 0.813 57 P CB -0.236 31.383 31.700 -0.135 0.000 0.778 58 E N 0.379 120.446 120.200 -0.221 0.000 2.505 58 E HA -0.064 4.287 4.350 0.002 0.000 0.197 58 E C 0.917 177.449 176.600 -0.115 0.000 1.111 58 E CA 1.156 57.483 56.400 -0.123 0.000 0.887 58 E CB -0.997 28.673 29.700 -0.051 0.000 0.913 58 E HN 0.351 8.711 8.360 -0.000 0.000 0.517 59 T N -3.841 110.606 114.554 -0.177 0.000 3.001 59 T HA 0.428 4.779 4.350 0.002 0.000 0.251 59 T C 1.874 176.630 174.700 0.093 0.000 1.040 59 T CA 0.261 62.305 62.100 -0.093 0.000 0.985 59 T CB 0.504 69.240 68.868 -0.221 0.000 1.011 59 T HN 0.170 8.410 8.240 -0.000 0.000 0.509 60 A N 2.887 125.735 122.820 0.048 0.000 2.067 60 A HA -0.009 4.313 4.320 0.002 0.000 0.219 60 A C 2.283 179.888 177.584 0.035 0.000 1.158 60 A CA 1.494 53.564 52.037 0.055 0.000 0.661 60 A CB -0.558 18.438 19.000 -0.007 0.000 0.801 60 A HN 0.773 8.923 8.150 -0.000 0.000 0.452 61 K N -0.726 119.697 120.400 0.038 0.000 2.361 61 K HA 0.247 4.568 4.320 0.002 0.000 0.196 61 K C 0.340 176.975 176.600 0.059 0.000 1.039 61 K CA -0.061 56.244 56.287 0.030 0.000 1.001 61 K CB -0.265 32.247 32.500 0.020 0.000 0.795 61 K HN 0.381 8.631 8.250 -0.000 0.000 0.495 62 L N 2.222 123.508 121.223 0.104 0.000 2.453 62 L HA 0.290 4.631 4.340 0.002 0.000 0.261 62 L C -2.210 174.781 176.870 0.203 0.000 1.179 62 L CA -2.543 52.367 54.840 0.116 0.000 0.813 62 L CB 0.428 42.539 42.059 0.087 0.000 1.110 62 L HN -0.056 8.174 8.230 -0.000 0.000 0.466 63 P HA 0.134 4.554 4.420 -0.000 0.000 0.276 63 P C -1.210 176.212 177.300 0.204 0.000 1.235 63 P CA -0.004 63.188 63.100 0.152 0.000 0.772 63 P CB 0.353 32.095 31.700 0.070 0.000 0.871 64 H N 3.554 122.608 119.070 -0.026 0.000 2.541 64 H HA 0.439 4.995 4.556 0.001 0.000 0.316 64 H C -0.162 175.131 175.328 -0.058 0.000 1.043 64 H CA -0.554 55.465 56.048 -0.049 0.000 1.232 64 H CB 0.969 30.691 29.762 -0.066 0.000 1.406 64 H HN 0.268 8.548 8.280 -0.000 0.000 0.469 65 I N 2.686 123.269 120.570 0.022 0.000 2.478 65 I HA 0.329 4.500 4.170 0.002 0.000 0.287 65 I C 0.677 176.780 176.117 -0.024 0.000 1.042 65 I CA -0.371 60.932 61.300 0.005 0.000 1.067 65 I CB 1.890 39.903 38.000 0.020 0.000 1.233 65 I HN 0.903 9.113 8.210 -0.000 0.000 0.431 66 G N 4.592 113.377 108.800 -0.025 0.000 2.698 66 G HA2 -0.249 3.712 3.960 0.002 0.000 0.233 66 G HA3 -0.249 3.712 3.960 0.002 0.000 0.233 66 G C -1.423 173.394 174.900 -0.138 0.000 1.352 66 G CA -0.368 44.747 45.100 0.026 0.000 0.879 66 G HN 0.517 8.807 8.290 -0.000 0.000 0.567 67 Y N -0.747 119.570 120.300 0.030 0.000 2.581 67 Y HA 0.515 5.066 4.550 0.001 0.000 0.345 67 Y C 1.365 177.297 175.900 0.054 0.000 1.036 67 Y CA -0.396 57.711 58.100 0.011 0.000 1.042 67 Y CB 1.088 39.480 38.460 -0.115 0.000 1.289 67 Y HN 0.819 9.099 8.280 -0.000 0.000 0.471 68 W N 0.619 122.062 121.300 0.238 0.000 2.392 68 W HA -0.047 4.615 4.660 0.002 0.000 0.279 68 W C 0.462 177.096 176.519 0.193 0.000 1.225 68 W CA 1.275 58.740 57.345 0.201 0.000 1.233 68 W CB -0.301 29.323 29.460 0.273 0.000 1.122 68 W HN 0.532 8.712 8.180 -0.000 0.000 0.561 69 K N 0.957 121.098 120.400 -0.433 0.000 2.459 69 K HA -0.068 4.253 4.320 0.002 0.000 0.193 69 K C 0.788 177.302 176.600 -0.144 0.000 1.030 69 K CA 0.746 56.772 56.287 -0.436 0.000 1.026 69 K CB 0.029 32.035 32.500 -0.824 0.000 0.809 69 K HN 0.343 8.593 8.250 -0.000 0.000 0.504 70 Q N 0.809 120.594 119.800 -0.024 0.000 3.557 70 Q HA 0.237 4.578 4.340 0.002 0.000 0.264 70 Q C -1.021 175.038 176.000 0.097 0.000 0.850 70 Q CA -0.338 55.481 55.803 0.026 0.000 0.833 70 Q CB 0.127 28.859 28.738 -0.010 0.000 1.505 70 Q HN -0.002 8.268 8.270 -0.000 0.000 0.402 71 L N 1.315 122.597 121.223 0.098 0.000 2.485 71 L HA 0.184 4.525 4.340 0.002 0.000 0.275 71 L C 0.503 177.417 176.870 0.073 0.000 1.207 71 L CA 0.083 54.982 54.840 0.099 0.000 0.855 71 L CB 1.025 43.145 42.059 0.101 0.000 1.114 71 L HN 0.474 8.704 8.230 -0.000 0.000 0.485 72 S N 1.090 116.829 115.700 0.065 0.000 2.448 72 S HA 0.157 4.629 4.470 0.002 0.000 0.320 72 S C 0.906 175.530 174.600 0.040 0.000 1.071 72 S CA -0.561 57.669 58.200 0.050 0.000 1.113 72 S CB 1.398 64.626 63.200 0.047 0.000 0.972 72 S HN 0.693 9.003 8.310 -0.000 0.000 0.465 73 S N 3.919 119.641 115.700 0.036 0.000 2.351 73 S HA -0.130 4.341 4.470 0.002 0.000 0.220 73 S C 1.647 176.262 174.600 0.025 0.000 1.035 73 S CA 1.798 60.015 58.200 0.030 0.000 1.031 73 S CB -0.380 62.836 63.200 0.027 0.000 0.928 73 S HN 0.891 9.201 8.310 -0.000 0.000 0.433 74 E N -0.126 120.088 120.200 0.023 0.000 2.051 74 E HA -0.098 4.253 4.350 0.002 0.000 0.192 74 E C 2.278 178.890 176.600 0.020 0.000 0.991 74 E CA 0.934 57.346 56.400 0.020 0.000 0.799 74 E CB -0.569 29.143 29.700 0.019 0.000 0.748 74 E HN 0.618 8.978 8.360 -0.000 0.000 0.449 75 G N 1.296 110.110 108.800 0.024 0.000 2.446 75 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 75 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 75 G C 1.605 176.517 174.900 0.021 0.000 1.168 75 G CA 0.786 45.900 45.100 0.024 0.000 0.771 75 G HN 0.119 8.409 8.290 -0.000 0.000 0.551 76 I N 0.266 120.849 120.570 0.022 0.000 2.202 76 I HA -0.092 4.079 4.170 0.002 0.000 0.242 76 I C 2.684 178.809 176.117 0.013 0.000 1.091 76 I CA 0.646 61.957 61.300 0.018 0.000 1.368 76 I CB -0.200 37.813 38.000 0.022 0.000 1.058 76 I HN 0.108 8.318 8.210 -0.000 0.000 0.410 77 L N 0.461 121.693 121.223 0.014 0.000 2.131 77 L HA -0.188 4.153 4.340 0.002 0.000 0.210 77 L C 2.719 179.595 176.870 0.010 0.000 1.092 77 L CA 1.474 56.321 54.840 0.011 0.000 0.759 77 L CB -0.687 41.380 42.059 0.012 0.000 0.903 77 L HN 0.376 8.606 8.230 -0.000 0.000 0.435 78 S N -0.023 115.684 115.700 0.012 0.000 2.469 78 S HA -0.115 4.356 4.470 0.002 0.000 0.238 78 S C 1.629 176.235 174.600 0.010 0.000 0.998 78 S CA 0.828 59.034 58.200 0.011 0.000 0.957 78 S CB -0.458 62.750 63.200 0.013 0.000 0.764 78 S HN 0.481 8.791 8.310 -0.000 0.000 0.514 79 L N 0.143 121.372 121.223 0.009 0.000 2.607 79 L HA 0.357 4.698 4.340 0.002 0.000 0.228 79 L C 0.507 177.379 176.870 0.003 0.000 1.123 79 L CA -0.370 54.474 54.840 0.007 0.000 0.890 79 L CB -0.438 41.625 42.059 0.007 0.000 1.103 79 L HN 0.176 8.406 8.230 -0.000 0.000 0.468 80 R N 0.142 120.644 120.500 0.003 0.000 3.092 80 R HA -0.144 4.197 4.340 0.002 0.000 0.245 80 R C -2.302 173.997 176.300 -0.003 0.000 0.881 80 R CA -0.195 55.905 56.100 0.001 0.000 0.614 80 R CB -1.611 28.689 30.300 0.000 0.000 1.128 80 R HN 0.278 8.548 8.270 -0.000 0.000 0.483 81 P HA 0.076 4.496 4.420 -0.000 0.000 0.277 81 P C -0.246 177.048 177.300 -0.010 0.000 1.240 81 P CA -0.251 62.844 63.100 -0.008 0.000 0.798 81 P CB 0.875 32.571 31.700 -0.008 0.000 0.979 82 D N -0.314 120.077 120.400 -0.015 0.000 2.301 82 D HA 0.021 4.663 4.640 0.002 0.000 0.206 82 D C 0.590 176.880 176.300 -0.017 0.000 0.979 82 D CA 1.078 55.069 54.000 -0.015 0.000 0.874 82 D CB 0.477 41.266 40.800 -0.019 0.000 0.968 82 D HN 0.507 8.877 8.370 -0.000 0.000 0.510 83 S N -0.620 115.067 115.700 -0.021 0.000 2.550 83 S HA 0.547 5.018 4.470 0.002 0.000 0.270 83 S C -0.987 173.597 174.600 -0.026 0.000 1.145 83 S CA -0.865 57.321 58.200 -0.023 0.000 0.852 83 S CB 2.465 65.647 63.200 -0.030 0.000 1.119 83 S HN -0.183 8.127 8.310 -0.000 0.000 0.465 84 V N 2.390 122.289 119.914 -0.025 0.000 2.540 84 V HA 0.570 4.691 4.120 0.002 0.000 0.302 84 V C -0.732 175.335 176.094 -0.046 0.000 1.035 84 V CA -0.645 61.639 62.300 -0.027 0.000 0.873 84 V CB 1.442 33.260 31.823 -0.008 0.000 0.992 84 V HN 0.901 9.091 8.190 -0.000 0.000 0.428 85 I N 4.017 124.543 120.570 -0.073 0.000 2.389 85 I HA 0.674 4.845 4.170 0.002 0.000 0.288 85 I C 0.006 176.017 176.117 -0.177 0.000 0.999 85 I CA 0.040 61.267 61.300 -0.122 0.000 1.129 85 I CB 2.037 39.952 38.000 -0.142 0.000 1.288 85 I HN 0.707 8.917 8.210 -0.000 0.000 0.444 86 T N 3.779 118.209 114.554 -0.208 0.000 2.665 86 T HA 0.423 4.774 4.350 0.002 0.000 0.303 86 T C -1.790 172.714 174.700 -0.326 0.000 1.334 86 T CA -0.507 61.418 62.100 -0.291 0.000 1.011 86 T CB 0.730 69.572 68.868 -0.042 0.000 1.573 86 T HN 0.414 8.654 8.240 -0.000 0.000 0.492 87 W N 1.639 122.866 121.300 -0.122 0.000 2.184 87 W HA 0.386 5.047 4.660 0.002 0.000 0.338 87 W C 1.969 178.465 176.519 -0.037 0.000 1.257 87 W CA -0.286 56.953 57.345 -0.176 0.000 1.243 87 W CB 0.510 29.688 29.460 -0.471 0.000 1.122 87 W HN 0.780 8.960 8.180 -0.000 0.000 0.585 88 Q N 1.060 121.021 119.800 0.268 0.000 2.170 88 Q HA -0.228 4.113 4.340 0.002 0.000 0.203 88 Q C 1.269 177.382 176.000 0.188 0.000 0.976 88 Q CA 1.709 57.617 55.803 0.174 0.000 0.858 88 Q CB -0.070 28.748 28.738 0.134 0.000 0.907 88 Q HN 0.577 8.847 8.270 -0.000 0.000 0.433 89 D N -0.662 119.878 120.400 0.233 0.000 2.395 89 D HA 0.127 4.768 4.640 0.002 0.000 0.226 89 D C -0.150 176.400 176.300 0.417 0.000 1.146 89 D CA 0.035 54.191 54.000 0.261 0.000 0.830 89 D CB -0.013 40.922 40.800 0.225 0.000 0.958 89 D HN 0.210 8.580 8.370 -0.000 0.000 0.501 90 A N -0.110 122.983 122.820 0.455 0.000 2.366 90 A HA 0.641 4.962 4.320 0.002 0.000 0.249 90 A C 0.708 178.469 177.584 0.295 0.000 1.084 90 A CA 0.275 52.645 52.037 0.556 0.000 0.794 90 A CB 0.673 19.970 19.000 0.495 0.000 1.034 90 A HN 0.397 8.547 8.150 -0.000 0.000 0.491 91 G N -0.364 108.568 108.800 0.220 0.000 2.606 91 G HA2 0.598 4.559 3.960 0.002 0.000 0.300 91 G HA3 0.598 4.559 3.960 0.002 0.000 0.300 91 G C -3.457 171.494 174.900 0.084 0.000 1.360 91 G CA -1.022 44.153 45.100 0.125 0.000 0.783 91 G HN 0.488 8.778 8.290 -0.000 0.000 0.484 92 P HA 0.139 4.559 4.420 -0.000 0.000 0.266 92 P C 0.396 177.733 177.300 0.062 0.000 1.195 92 P CA -0.025 63.105 63.100 0.050 0.000 0.768 92 P CB 1.154 32.875 31.700 0.034 0.000 0.838 93 Q N 3.793 123.629 119.800 0.060 0.000 2.096 93 Q HA -0.172 4.170 4.340 0.002 0.000 0.204 93 Q C 1.586 177.615 176.000 0.049 0.000 0.982 93 Q CA 1.670 57.509 55.803 0.060 0.000 0.850 93 Q CB -1.027 27.744 28.738 0.054 0.000 0.901 93 Q HN 0.410 8.680 8.270 -0.000 0.000 0.422 94 I N -0.122 120.471 120.570 0.039 0.000 2.423 94 I HA -0.204 3.967 4.170 0.002 0.000 0.254 94 I C 1.526 177.663 176.117 0.034 0.000 1.151 94 I CA 0.968 62.288 61.300 0.033 0.000 1.421 94 I CB -0.410 37.606 38.000 0.026 0.000 1.079 94 I HN 0.146 8.356 8.210 -0.000 0.000 0.431 95 V N 1.153 121.092 119.914 0.040 0.000 2.358 95 V HA -0.258 3.863 4.120 0.002 0.000 0.246 95 V C 2.581 178.700 176.094 0.042 0.000 1.047 95 V CA 1.362 63.686 62.300 0.041 0.000 1.035 95 V CB -0.483 31.370 31.823 0.049 0.000 0.658 95 V HN 0.359 8.549 8.190 -0.000 0.000 0.452 96 L N -0.166 121.086 121.223 0.050 0.000 2.083 96 L HA -0.199 4.142 4.340 0.002 0.000 0.209 96 L C 2.352 179.243 176.870 0.035 0.000 1.083 96 L CA 1.537 56.405 54.840 0.046 0.000 0.752 96 L CB -0.780 41.313 42.059 0.057 0.000 0.899 96 L HN 0.352 8.582 8.230 -0.000 0.000 0.433 97 D N -0.109 120.311 120.400 0.033 0.000 2.097 97 D HA -0.187 4.454 4.640 0.002 0.000 0.195 97 D C 2.339 178.652 176.300 0.022 0.000 0.989 97 D CA 1.135 55.151 54.000 0.027 0.000 0.827 97 D CB -0.189 40.626 40.800 0.026 0.000 0.966 97 D HN 0.379 8.749 8.370 -0.000 0.000 0.456 98 Q N 0.104 119.918 119.800 0.023 0.000 2.061 98 Q HA -0.118 4.223 4.340 0.002 0.000 0.204 98 Q C 2.540 178.551 176.000 0.018 0.000 0.984 98 Q CA 0.843 56.658 55.803 0.020 0.000 0.846 98 Q CB -0.245 28.506 28.738 0.021 0.000 0.902 98 Q HN 0.316 8.586 8.270 -0.000 0.000 0.421 99 L N 0.336 121.571 121.223 0.020 0.000 2.012 99 L HA -0.228 4.113 4.340 0.002 0.000 0.210 99 L C 2.610 179.488 176.870 0.013 0.000 1.073 99 L CA 1.414 56.265 54.840 0.017 0.000 0.748 99 L CB -0.445 41.625 42.059 0.020 0.000 0.891 99 L HN 0.196 8.426 8.230 -0.000 0.000 0.431 100 R N -0.201 120.308 120.500 0.015 0.000 2.096 100 R HA -0.110 4.231 4.340 0.002 0.000 0.235 100 R C 2.387 178.693 176.300 0.010 0.000 1.127 100 R CA 1.235 57.342 56.100 0.012 0.000 0.968 100 R CB -0.453 29.855 30.300 0.014 0.000 0.861 100 R HN 0.364 8.634 8.270 -0.000 0.000 0.440 101 A N 0.997 123.824 122.820 0.012 0.000 2.019 101 A HA -0.152 4.169 4.320 0.002 0.000 0.219 101 A C 1.582 179.171 177.584 0.009 0.000 1.164 101 A CA 1.059 53.102 52.037 0.010 0.000 0.644 101 A CB -0.117 18.890 19.000 0.011 0.000 0.805 101 A HN 0.321 8.471 8.150 -0.000 0.000 0.449 102 Q N -0.781 119.025 119.800 0.009 0.000 2.228 102 Q HA 0.144 4.485 4.340 0.002 0.000 0.211 102 Q C -0.602 175.401 176.000 0.005 0.000 0.890 102 Q CA -0.091 55.716 55.803 0.007 0.000 0.953 102 Q CB 0.046 28.789 28.738 0.008 0.000 1.053 102 Q HN 0.627 8.897 8.270 -0.000 0.000 0.471 103 K N -1.170 119.233 120.400 0.005 0.000 3.160 103 K HA -0.151 4.170 4.320 0.002 0.000 0.280 103 K C -0.657 175.944 176.600 0.001 0.000 1.154 103 K CA 0.240 56.529 56.287 0.002 0.000 0.822 103 K CB -2.057 30.444 32.500 0.001 0.000 1.239 103 K HN 0.048 8.298 8.250 -0.000 0.000 0.489 104 V N 1.736 121.652 119.914 0.002 0.000 2.465 104 V HA 0.074 4.195 4.120 0.002 0.000 0.279 104 V C 0.848 176.941 176.094 -0.001 0.000 1.045 104 V CA -0.636 61.664 62.300 -0.000 0.000 0.938 104 V CB 1.504 33.328 31.823 0.002 0.000 0.986 104 V HN 0.285 8.475 8.190 -0.000 0.000 0.467 105 N N 4.175 122.871 118.700 -0.006 0.000 2.400 105 N HA 0.137 4.878 4.740 0.002 0.000 0.267 105 N C -0.782 174.722 175.510 -0.010 0.000 1.208 105 N CA -0.381 52.664 53.050 -0.009 0.000 0.951 105 N CB 0.701 39.180 38.487 -0.014 0.000 1.227 105 N HN 0.449 8.829 8.380 -0.000 0.000 0.488 106 V N 4.558 124.469 119.914 -0.005 0.000 2.364 106 V HA 0.224 4.345 4.120 0.002 0.000 0.272 106 V C 0.204 176.292 176.094 -0.010 0.000 1.036 106 V CA -0.625 61.673 62.300 -0.004 0.000 0.880 106 V CB 1.310 33.139 31.823 0.009 0.000 0.991 106 V HN 0.311 8.501 8.190 -0.000 0.000 0.460 107 V N 4.917 124.815 119.914 -0.026 0.000 2.417 107 V HA 0.663 4.784 4.120 0.002 0.000 0.291 107 V C 0.290 176.357 176.094 -0.046 0.000 1.024 107 V CA -0.315 61.965 62.300 -0.034 0.000 0.861 107 V CB 2.040 33.832 31.823 -0.051 0.000 0.985 107 V HN 1.013 9.203 8.190 -0.000 0.000 0.436 108 T N 3.285 117.824 114.554 -0.025 0.000 2.893 108 T HA 0.863 5.215 4.350 0.002 0.000 0.291 108 T C -1.040 173.660 174.700 -0.000 0.000 1.028 108 T CA -0.700 61.390 62.100 -0.016 0.000 0.995 108 T CB 1.693 70.583 68.868 0.038 0.000 1.051 108 T HN 0.239 8.479 8.240 -0.000 0.000 0.470 109 L N 2.753 123.983 121.223 0.011 0.000 2.341 109 L HA 0.649 4.990 4.340 0.002 0.000 0.267 109 L C -2.409 174.617 176.870 0.260 0.000 1.009 109 L CA -2.402 52.489 54.840 0.086 0.000 0.819 109 L CB 2.326 44.391 42.059 0.009 0.000 1.323 109 L HN 0.498 8.728 8.230 -0.000 0.000 0.425 110 P HA 0.137 4.557 4.420 -0.000 0.000 0.276 110 P C -0.244 177.148 177.300 0.152 0.000 1.253 110 P CA -0.275 62.918 63.100 0.156 0.000 0.766 110 P CB 1.064 32.813 31.700 0.081 0.000 0.845 111 R N 2.695 123.166 120.500 -0.049 0.000 2.240 111 R HA 0.130 4.471 4.340 0.002 0.000 0.203 111 R C -0.041 176.034 176.300 -0.376 0.000 1.011 111 R CA 0.577 56.304 56.100 -0.622 0.000 1.007 111 R CB 0.336 29.903 30.300 -1.220 0.000 0.911 111 R HN 0.295 8.565 8.270 -0.000 0.000 0.468 112 V N 2.602 122.412 119.914 -0.174 0.000 2.735 112 V HA 0.394 4.515 4.120 0.002 0.000 0.310 112 V C -2.089 173.973 176.094 -0.053 0.000 1.061 112 V CA -1.812 60.421 62.300 -0.111 0.000 0.913 112 V CB 1.956 33.731 31.823 -0.080 0.000 1.005 112 V HN 0.222 8.412 8.190 -0.000 0.000 0.428 113 P HA 0.389 4.809 4.420 -0.000 0.000 0.278 113 P C -0.773 176.482 177.300 -0.075 0.000 1.266 113 P CA -0.581 62.485 63.100 -0.056 0.000 0.807 113 P CB 1.326 33.003 31.700 -0.039 0.000 1.094 114 A N 0.865 123.640 122.820 -0.076 0.000 3.056 114 A HA 0.460 4.781 4.320 0.002 0.000 0.274 114 A C 0.670 178.207 177.584 -0.079 0.000 1.661 114 A CA -0.179 51.809 52.037 -0.082 0.000 1.363 114 A CB -1.439 17.516 19.000 -0.075 0.000 1.139 114 A HN 0.616 8.766 8.150 -0.000 0.000 0.598 115 T N -2.163 112.338 114.554 -0.089 0.000 2.930 115 T HA 0.568 4.919 4.350 0.002 0.000 0.290 115 T C 0.988 175.577 174.700 -0.185 0.000 1.052 115 T CA -0.766 61.267 62.100 -0.112 0.000 1.017 115 T CB 0.981 69.794 68.868 -0.091 0.000 1.137 115 T HN 0.126 8.366 8.240 -0.000 0.000 0.511 116 L N 0.271 121.330 121.223 -0.272 0.000 2.093 116 L HA -0.010 4.331 4.340 0.002 0.000 0.208 116 L C 2.953 179.404 176.870 -0.697 0.000 1.085 116 L CA 1.559 56.050 54.840 -0.581 0.000 0.755 116 L CB -0.442 41.241 42.059 -0.626 0.000 0.904 116 L HN 0.918 9.148 8.230 -0.000 0.000 0.435 117 E N -0.029 119.965 120.200 -0.343 0.000 2.058 117 E HA -0.332 4.019 4.350 0.002 0.000 0.194 117 E C 2.163 178.715 176.600 -0.079 0.000 0.997 117 E CA 1.687 57.995 56.400 -0.154 0.000 0.801 117 E CB 0.077 29.737 29.700 -0.067 0.000 0.746 117 E HN 0.274 8.634 8.360 -0.000 0.000 0.450 118 Q N 0.310 120.062 119.800 -0.080 0.000 2.123 118 Q HA -0.108 4.233 4.340 0.002 0.000 0.199 118 Q C 2.039 178.046 176.000 0.013 0.000 0.966 118 Q CA 1.624 57.416 55.803 -0.018 0.000 0.845 118 Q CB -0.227 28.499 28.738 -0.020 0.000 0.907 118 Q HN 0.401 8.671 8.270 -0.000 0.000 0.439 119 M N -1.254 118.320 119.600 -0.043 0.000 2.086 119 M HA -0.207 4.274 4.480 0.002 0.000 0.261 119 M C 1.425 177.830 176.300 0.174 0.000 1.067 119 M CA 1.621 56.945 55.300 0.039 0.000 1.116 119 M CB -0.229 32.357 32.600 -0.023 0.000 1.348 119 M HN 0.372 8.662 8.290 -0.000 0.000 0.407 120 Y N -0.065 120.252 120.300 0.028 0.000 2.181 120 Y HA -0.227 4.324 4.550 0.002 0.000 0.288 120 Y C 2.635 178.547 175.900 0.019 0.000 1.146 120 Y CA 0.426 58.538 58.100 0.020 0.000 1.164 120 Y CB -0.454 38.015 38.460 0.014 0.000 0.982 120 Y HN 0.459 8.739 8.280 -0.000 0.000 0.515 121 A N 0.854 123.784 122.820 0.183 0.000 1.873 121 A HA -0.209 4.112 4.320 0.002 0.000 0.215 121 A C 1.887 179.523 177.584 0.087 0.000 1.186 121 A CA 1.827 53.928 52.037 0.107 0.000 0.616 121 A CB -0.673 18.373 19.000 0.077 0.000 0.823 121 A HN 0.404 8.554 8.150 -0.000 0.000 0.442 122 N N 0.277 119.035 118.700 0.096 0.000 2.104 122 N HA -0.117 4.624 4.740 0.002 0.000 0.190 122 N C 1.613 177.159 175.510 0.059 0.000 1.024 122 N CA 1.540 54.638 53.050 0.080 0.000 0.853 122 N CB -0.526 38.032 38.487 0.118 0.000 1.008 122 N HN 0.567 8.947 8.380 -0.000 0.000 0.424 123 I N 1.118 121.740 120.570 0.087 0.000 2.163 123 I HA -0.285 3.886 4.170 0.002 0.000 0.243 123 I C 2.356 178.491 176.117 0.031 0.000 1.085 123 I CA 1.219 62.557 61.300 0.062 0.000 1.347 123 I CB -0.114 37.940 38.000 0.090 0.000 1.044 123 I HN 0.131 8.341 8.210 -0.000 0.000 0.408 124 R N 0.078 120.601 120.500 0.038 0.000 2.075 124 R HA -0.213 4.128 4.340 0.002 0.000 0.232 124 R C 2.263 178.569 176.300 0.010 0.000 1.126 124 R CA 1.392 57.502 56.100 0.017 0.000 0.963 124 R CB -0.507 29.806 30.300 0.022 0.000 0.858 124 R HN 0.510 8.780 8.270 -0.000 0.000 0.435 125 Q N 1.097 120.907 119.800 0.017 0.000 2.096 125 Q HA -0.161 4.180 4.340 0.002 0.000 0.204 125 Q C 2.165 178.159 176.000 -0.011 0.000 0.982 125 Q CA 1.291 57.097 55.803 0.006 0.000 0.850 125 Q CB -0.030 28.715 28.738 0.012 0.000 0.901 125 Q HN 0.361 8.631 8.270 -0.000 0.000 0.422 126 L N 0.021 121.235 121.223 -0.016 0.000 2.027 126 L HA -0.166 4.175 4.340 0.002 0.000 0.206 126 L C 2.497 179.347 176.870 -0.033 0.000 1.074 126 L CA 1.202 56.021 54.840 -0.036 0.000 0.745 126 L CB -0.491 41.540 42.059 -0.046 0.000 0.898 126 L HN 0.354 8.584 8.230 -0.000 0.000 0.433 127 A N -0.267 122.539 122.820 -0.023 0.000 1.908 127 A HA -0.295 4.026 4.320 0.002 0.000 0.218 127 A C 2.331 179.900 177.584 -0.025 0.000 1.181 127 A CA 2.113 54.135 52.037 -0.025 0.000 0.627 127 A CB -0.526 18.462 19.000 -0.019 0.000 0.818 127 A HN 0.376 8.526 8.150 -0.000 0.000 0.445 128 K N -1.072 119.316 120.400 -0.019 0.000 2.032 128 K HA -0.156 4.165 4.320 0.002 0.000 0.209 128 K C 2.024 178.611 176.600 -0.021 0.000 1.048 128 K CA 1.946 58.223 56.287 -0.017 0.000 0.927 128 K CB -0.374 32.119 32.500 -0.011 0.000 0.712 128 K HN 0.442 8.692 8.250 -0.000 0.000 0.441 129 T N 1.417 115.957 114.554 -0.024 0.000 2.833 129 T HA -0.068 4.283 4.350 0.002 0.000 0.269 129 T C 1.471 176.150 174.700 -0.035 0.000 1.054 129 T CA 0.982 63.065 62.100 -0.029 0.000 1.135 129 T CB 0.007 68.855 68.868 -0.033 0.000 0.869 129 T HN 0.184 8.424 8.240 -0.000 0.000 0.466 130 L N 0.445 121.644 121.223 -0.040 0.000 2.599 130 L HA 0.163 4.504 4.340 0.002 0.000 0.230 130 L C 0.888 177.733 176.870 -0.042 0.000 1.141 130 L CA 0.056 54.868 54.840 -0.047 0.000 0.877 130 L CB -0.159 41.866 42.059 -0.058 0.000 1.009 130 L HN 0.144 8.374 8.230 -0.000 0.000 0.447 131 Q N -0.577 119.203 119.800 -0.033 0.000 2.506 131 Q HA -0.152 4.189 4.340 0.002 0.000 0.268 131 Q C -0.170 175.812 176.000 -0.029 0.000 1.002 131 Q CA 1.118 56.903 55.803 -0.029 0.000 1.052 131 Q CB -1.629 27.092 28.738 -0.029 0.000 1.383 131 Q HN 0.387 8.657 8.270 -0.000 0.000 0.537 132 V N -4.187 115.709 119.914 -0.030 0.000 2.575 132 V HA 0.362 4.484 4.120 0.002 0.000 0.281 132 V C -1.468 174.611 176.094 -0.026 0.000 1.087 132 V CA -0.401 61.881 62.300 -0.029 0.000 1.193 132 V CB 0.983 32.785 31.823 -0.035 0.000 1.426 132 V HN -0.037 8.153 8.190 -0.000 0.000 0.623 133 P HA -0.169 4.251 4.420 -0.000 0.000 0.218 133 P C 1.274 178.561 177.300 -0.022 0.000 1.148 133 P CA 1.622 64.709 63.100 -0.020 0.000 0.822 133 P CB 0.550 32.240 31.700 -0.017 0.000 0.784 134 E N -0.181 120.005 120.200 -0.022 0.000 2.110 134 E HA -0.173 4.178 4.350 0.002 0.000 0.193 134 E C 2.315 178.900 176.600 -0.025 0.000 0.988 134 E CA 0.770 57.156 56.400 -0.023 0.000 0.804 134 E CB -0.283 29.404 29.700 -0.021 0.000 0.745 134 E HN 0.298 8.658 8.360 -0.000 0.000 0.458 135 Q N -0.066 119.720 119.800 -0.024 0.000 2.170 135 Q HA -0.096 4.245 4.340 0.002 0.000 0.203 135 Q C 2.291 178.277 176.000 -0.024 0.000 0.976 135 Q CA 1.409 57.199 55.803 -0.023 0.000 0.858 135 Q CB -0.486 28.239 28.738 -0.022 0.000 0.907 135 Q HN 0.380 8.650 8.270 -0.000 0.000 0.433 136 G N 1.219 110.004 108.800 -0.025 0.000 2.402 136 G HA2 -0.229 3.732 3.960 0.002 0.000 0.216 136 G HA3 -0.229 3.732 3.960 0.002 0.000 0.216 136 G C 1.088 175.960 174.900 -0.045 0.000 1.162 136 G CA 0.770 45.855 45.100 -0.026 0.000 0.777 136 G HN 0.283 8.573 8.290 -0.000 0.000 0.539 137 D N 1.127 121.499 120.400 -0.047 0.000 2.144 137 D HA -0.058 4.583 4.640 0.002 0.000 0.199 137 D C 2.830 179.085 176.300 -0.076 0.000 0.984 137 D CA 1.190 55.151 54.000 -0.066 0.000 0.834 137 D CB -0.297 40.473 40.800 -0.049 0.000 0.955 137 D HN 0.313 8.683 8.370 -0.000 0.000 0.465 138 A N 1.045 123.833 122.820 -0.054 0.000 1.902 138 A HA -0.145 4.176 4.320 0.002 0.000 0.217 138 A C 2.162 179.714 177.584 -0.054 0.000 1.181 138 A CA 0.914 52.922 52.037 -0.048 0.000 0.623 138 A CB -0.653 18.329 19.000 -0.031 0.000 0.818 138 A HN 0.213 8.363 8.150 -0.000 0.000 0.443 139 L N 0.004 121.199 121.223 -0.048 0.000 2.017 139 L HA -0.101 4.240 4.340 0.002 0.000 0.208 139 L C 2.405 179.223 176.870 -0.085 0.000 1.073 139 L CA 1.909 56.727 54.840 -0.038 0.000 0.745 139 L CB -0.711 41.342 42.059 -0.010 0.000 0.894 139 L HN 0.153 8.383 8.230 -0.000 0.000 0.432 140 V N -0.512 119.306 119.914 -0.161 0.000 2.287 140 V HA -0.345 3.776 4.120 0.002 0.000 0.248 140 V C 2.500 178.388 176.094 -0.343 0.000 1.053 140 V CA 2.332 64.400 62.300 -0.386 0.000 1.027 140 V CB -1.098 30.439 31.823 -0.475 0.000 0.646 140 V HN 0.561 8.751 8.190 -0.000 0.000 0.447 141 T N -0.733 113.698 114.554 -0.206 0.000 2.708 141 T HA -0.298 4.053 4.350 0.002 0.000 0.266 141 T C 1.898 176.545 174.700 -0.088 0.000 1.037 141 T CA 1.975 63.993 62.100 -0.136 0.000 1.146 141 T CB -0.284 68.531 68.868 -0.088 0.000 0.865 141 T HN 0.579 8.819 8.240 -0.000 0.000 0.435 142 Q N 0.368 120.129 119.800 -0.065 0.000 2.030 142 Q HA -0.134 4.207 4.340 0.002 0.000 0.204 142 Q C 2.352 178.343 176.000 -0.015 0.000 0.986 142 Q CA 1.614 57.399 55.803 -0.030 0.000 0.843 142 Q CB -0.326 28.402 28.738 -0.016 0.000 0.904 142 Q HN 0.538 8.808 8.270 -0.000 0.000 0.420 143 I N 0.823 121.386 120.570 -0.011 0.000 2.142 143 I HA -0.271 3.900 4.170 0.002 0.000 0.240 143 I C 2.302 178.456 176.117 0.062 0.000 1.078 143 I CA 1.325 62.651 61.300 0.043 0.000 1.343 143 I CB -0.420 37.646 38.000 0.110 0.000 1.046 143 I HN 0.314 8.524 8.210 -0.000 0.000 0.405 144 N N 0.687 119.405 118.700 0.029 0.000 2.104 144 N HA -0.235 4.506 4.740 0.002 0.000 0.190 144 N C 1.885 177.416 175.510 0.034 0.000 1.024 144 N CA 1.566 54.659 53.050 0.073 0.000 0.853 144 N CB -0.030 38.447 38.487 -0.016 0.000 1.008 144 N HN 0.336 8.716 8.380 -0.000 0.000 0.424 145 Q N -0.477 119.323 119.800 -0.000 0.000 2.084 145 Q HA -0.077 4.264 4.340 0.002 0.000 0.202 145 Q C 2.018 178.017 176.000 -0.002 0.000 0.978 145 Q CA 0.921 56.721 55.803 -0.005 0.000 0.844 145 Q CB -0.045 28.684 28.738 -0.014 0.000 0.898 145 Q HN 0.357 8.627 8.270 -0.000 0.000 0.426 146 R N 0.613 121.116 120.500 0.004 0.000 2.073 146 R HA -0.097 4.244 4.340 0.002 0.000 0.234 146 R C 2.324 178.620 176.300 -0.005 0.000 1.134 146 R CA 1.068 57.168 56.100 -0.001 0.000 0.952 146 R CB -0.602 29.704 30.300 0.009 0.000 0.850 146 R HN 0.320 8.590 8.270 -0.000 0.000 0.433 147 L N 0.669 121.901 121.223 0.017 0.000 2.093 147 L HA -0.128 4.213 4.340 0.002 0.000 0.208 147 L C 2.251 179.119 176.870 -0.003 0.000 1.085 147 L CA 1.253 56.102 54.840 0.014 0.000 0.755 147 L CB -0.394 41.696 42.059 0.053 0.000 0.904 147 L HN 0.224 8.454 8.230 -0.000 0.000 0.435 148 E N -0.388 119.815 120.200 0.004 0.000 2.150 148 E HA -0.160 4.191 4.350 0.002 0.000 0.193 148 E C 2.335 178.915 176.600 -0.034 0.000 0.985 148 E CA 0.476 56.872 56.400 -0.007 0.000 0.814 148 E CB 0.076 29.777 29.700 0.002 0.000 0.752 148 E HN 0.318 8.678 8.360 -0.000 0.000 0.466 149 R N 0.572 121.047 120.500 -0.042 0.000 2.080 149 R HA -0.122 4.219 4.340 0.002 0.000 0.236 149 R C 2.461 178.693 176.300 -0.112 0.000 1.137 149 R CA 0.950 57.012 56.100 -0.064 0.000 0.943 149 R CB -1.062 29.205 30.300 -0.056 0.000 0.846 149 R HN 0.129 8.399 8.270 -0.000 0.000 0.431 150 V N 1.976 121.806 119.914 -0.140 0.000 2.282 150 V HA -0.262 3.859 4.120 0.002 0.000 0.249 150 V C 2.569 178.535 176.094 -0.214 0.000 1.057 150 V CA 1.777 63.918 62.300 -0.265 0.000 1.032 150 V CB -0.507 31.187 31.823 -0.215 0.000 0.645 150 V HN 0.322 8.512 8.190 -0.000 0.000 0.447 151 Q N -0.454 119.286 119.800 -0.099 0.000 2.226 151 Q HA -0.240 4.101 4.340 0.002 0.000 0.204 151 Q C 2.261 178.223 176.000 -0.064 0.000 0.975 151 Q CA 1.594 57.365 55.803 -0.053 0.000 0.866 151 Q CB -0.304 28.423 28.738 -0.019 0.000 0.915 151 Q HN 0.731 9.001 8.270 -0.000 0.000 0.440 152 Q N 0.361 120.115 119.800 -0.076 0.000 2.020 152 Q HA -0.151 4.190 4.340 0.002 0.000 0.202 152 Q C 1.968 177.912 176.000 -0.092 0.000 0.982 152 Q CA 1.316 57.077 55.803 -0.069 0.000 0.838 152 Q CB -0.236 28.464 28.738 -0.062 0.000 0.899 152 Q HN 0.486 8.756 8.270 -0.000 0.000 0.423 153 N N -0.207 118.417 118.700 -0.127 0.000 2.104 153 N HA -0.190 4.551 4.740 0.002 0.000 0.190 153 N C 1.776 177.188 175.510 -0.164 0.000 1.024 153 N CA 1.213 54.178 53.050 -0.141 0.000 0.853 153 N CB 0.143 38.522 38.487 -0.181 0.000 1.008 153 N HN 0.006 8.386 8.380 -0.000 0.000 0.424 154 V N 1.474 121.306 119.914 -0.136 0.000 2.261 154 V HA -0.248 3.873 4.120 0.002 0.000 0.246 154 V C 2.553 178.564 176.094 -0.138 0.000 1.047 154 V CA 1.937 64.146 62.300 -0.152 0.000 1.015 154 V CB -1.178 30.651 31.823 0.010 0.000 0.642 154 V HN 0.480 8.670 8.190 -0.000 0.000 0.446 155 A N 0.169 122.942 122.820 -0.077 0.000 1.929 155 A HA -0.339 3.982 4.320 0.002 0.000 0.221 155 A C 2.431 179.972 177.584 -0.071 0.000 1.211 155 A CA 3.041 55.046 52.037 -0.053 0.000 0.657 155 A CB -1.099 17.876 19.000 -0.042 0.000 0.827 155 A HN 0.681 8.831 8.150 -0.000 0.000 0.462 156 A N -0.111 122.649 122.820 -0.100 0.000 1.849 156 A HA -0.120 4.201 4.320 0.002 0.000 0.217 156 A C 1.153 178.666 177.584 -0.118 0.000 1.202 156 A CA 1.482 53.458 52.037 -0.102 0.000 0.629 156 A CB -0.533 18.396 19.000 -0.119 0.000 0.834 156 A HN 0.422 8.572 8.150 -0.000 0.000 0.447 157 K N 0.689 120.962 120.400 -0.211 0.000 2.440 157 K HA -0.007 4.314 4.320 0.002 0.000 0.275 157 K C 0.421 176.986 176.600 -0.059 0.000 1.082 157 K CA 0.332 56.494 56.287 -0.209 0.000 1.135 157 K CB 0.498 32.688 32.500 -0.517 0.000 0.864 157 K HN 0.228 8.478 8.250 -0.000 0.000 0.479 158 K N 1.526 121.922 120.400 -0.006 0.000 2.155 158 K HA -0.014 4.307 4.320 0.002 0.000 0.203 158 K C 0.582 177.224 176.600 0.069 0.000 1.052 158 K CA 0.842 57.145 56.287 0.026 0.000 0.948 158 K CB 0.252 32.765 32.500 0.021 0.000 0.728 158 K HN 0.636 8.886 8.250 -0.000 0.000 0.448 159 A N 2.765 125.655 122.820 0.116 0.000 2.621 159 A HA 0.281 4.602 4.320 0.002 0.000 0.329 159 A C -2.357 175.373 177.584 0.243 0.000 1.458 159 A CA -1.476 50.650 52.037 0.149 0.000 1.052 159 A CB -0.302 18.782 19.000 0.140 0.000 1.142 159 A HN 0.002 8.152 8.150 -0.000 0.000 0.523 160 P HA 0.099 4.519 4.420 -0.000 0.000 0.269 160 P C 0.055 177.452 177.300 0.161 0.000 1.263 160 P CA 0.168 63.422 63.100 0.256 0.000 0.813 160 P CB 0.513 32.310 31.700 0.162 0.000 0.868 161 V N 5.064 125.048 119.914 0.116 0.000 2.583 161 V HA -0.141 3.980 4.120 0.002 0.000 0.302 161 V C 1.315 177.372 176.094 -0.062 0.000 1.033 161 V CA 0.623 62.867 62.300 -0.093 0.000 1.194 161 V CB -0.766 30.800 31.823 -0.428 0.000 0.879 161 V HN 0.458 8.648 8.190 -0.000 0.000 0.482 162 K N 4.132 124.508 120.400 -0.040 0.000 2.339 162 K HA 0.624 4.945 4.320 0.002 0.000 0.286 162 K C 0.122 176.698 176.600 -0.040 0.000 1.050 162 K CA 0.117 56.392 56.287 -0.020 0.000 0.956 162 K CB 1.066 33.565 32.500 -0.001 0.000 0.990 162 K HN 0.883 9.133 8.250 -0.000 0.000 0.475 163 A N 3.405 126.208 122.820 -0.028 0.000 2.524 163 A HA 0.835 5.156 4.320 0.002 0.000 0.286 163 A C -1.402 176.179 177.584 -0.004 0.000 1.203 163 A CA -0.871 51.151 52.037 -0.026 0.000 0.736 163 A CB 1.849 20.824 19.000 -0.043 0.000 1.322 163 A HN 0.729 8.879 8.150 -0.000 0.000 0.424 164 M N 0.251 119.856 119.600 0.009 0.000 2.413 164 M HA 0.637 5.118 4.480 0.002 0.000 0.287 164 M C -2.422 173.922 176.300 0.074 0.000 1.186 164 M CA -0.496 54.807 55.300 0.005 0.000 0.927 164 M CB 1.852 34.419 32.600 -0.054 0.000 1.715 164 M HN 0.853 9.143 8.290 -0.000 0.000 0.478 165 F N 5.498 125.403 119.950 -0.075 0.000 2.467 165 F HA 0.719 5.246 4.527 0.002 0.000 0.336 165 F C -1.727 174.063 175.800 -0.017 0.000 1.123 165 F CA -0.765 57.216 58.000 -0.032 0.000 0.964 165 F CB 1.061 40.054 39.000 -0.010 0.000 1.136 165 F HN 0.462 8.762 8.300 -0.000 0.000 0.447 166 I N 7.455 127.550 120.570 -0.790 0.000 2.404 166 I HA 0.425 4.596 4.170 0.002 0.000 0.293 166 I C -1.252 174.337 176.117 -0.881 0.000 0.992 166 I CA -1.026 59.901 61.300 -0.621 0.000 1.149 166 I CB 1.832 39.642 38.000 -0.316 0.000 1.315 166 I HN 0.535 8.745 8.210 -0.000 0.000 0.446 167 L N 5.325 126.239 121.223 -0.515 0.000 2.371 167 L HA 0.665 5.006 4.340 0.002 0.000 0.262 167 L C -0.750 176.004 176.870 -0.194 0.000 1.006 167 L CA -0.084 54.548 54.840 -0.347 0.000 0.818 167 L CB 2.310 44.278 42.059 -0.152 0.000 1.354 167 L HN 0.531 8.761 8.230 -0.000 0.000 0.415 168 S N 2.686 118.303 115.700 -0.138 0.000 2.647 168 S HA 0.951 5.422 4.470 0.002 0.000 0.300 168 S C -1.177 173.368 174.600 -0.091 0.000 1.129 168 S CA 0.194 58.330 58.200 -0.107 0.000 1.029 168 S CB 0.879 64.036 63.200 -0.072 0.000 1.007 168 S HN 1.176 9.486 8.310 -0.000 0.000 0.484 169 A N 2.711 125.463 122.820 -0.114 0.000 2.574 169 A HA 0.779 5.100 4.320 0.002 0.000 0.297 169 A C 0.641 178.170 177.584 -0.092 0.000 1.062 169 A CA -0.154 51.829 52.037 -0.090 0.000 0.686 169 A CB 0.730 19.664 19.000 -0.110 0.000 1.285 169 A HN 2.117 10.267 8.150 -0.000 0.000 0.403 170 G N 0.122 108.880 108.800 -0.071 0.000 2.249 170 G HA2 0.189 4.150 3.960 0.002 0.000 0.273 170 G HA3 0.189 4.150 3.960 0.002 0.000 0.273 170 G C 1.734 176.588 174.900 -0.078 0.000 1.036 170 G CA 1.411 46.459 45.100 -0.087 0.000 0.824 170 G HN 2.924 11.213 8.290 -0.000 0.000 0.504 171 G N -2.001 106.762 108.800 -0.061 0.000 2.179 171 G HA2 -0.069 3.893 3.960 0.002 0.000 0.257 171 G HA3 -0.069 3.893 3.960 0.002 0.000 0.257 171 G C 0.560 175.427 174.900 -0.055 0.000 1.010 171 G CA 0.983 46.052 45.100 -0.052 0.000 0.736 171 G HN 1.699 9.989 8.290 -0.000 0.000 0.513 172 S N -0.099 115.561 115.700 -0.066 0.000 2.652 172 S HA 0.758 5.229 4.470 0.002 0.000 0.270 172 S C 0.967 175.533 174.600 -0.057 0.000 1.243 172 S CA 0.031 58.192 58.200 -0.064 0.000 0.999 172 S CB 1.502 64.653 63.200 -0.082 0.000 0.973 172 S HN 1.510 9.820 8.310 -0.000 0.000 0.544 173 A N 2.848 125.640 122.820 -0.047 0.000 2.386 173 A HA 0.431 4.753 4.320 0.002 0.000 0.246 173 A C -2.268 175.287 177.584 -0.048 0.000 1.089 173 A CA -1.141 50.872 52.037 -0.040 0.000 0.790 173 A CB -0.719 18.264 19.000 -0.028 0.000 1.042 173 A HN 0.563 8.713 8.150 -0.000 0.000 0.497 174 P HA 0.157 4.577 4.420 -0.000 0.000 0.271 174 P C -1.018 176.255 177.300 -0.046 0.000 1.220 174 P CA 0.425 63.486 63.100 -0.065 0.000 0.768 174 P CB 0.596 32.255 31.700 -0.069 0.000 0.848 175 Q N 1.026 120.802 119.800 -0.040 0.000 2.423 175 Q HA 0.468 4.809 4.340 0.002 0.000 0.278 175 Q C -0.840 175.187 176.000 0.046 0.000 1.097 175 Q CA -1.287 54.539 55.803 0.038 0.000 0.809 175 Q CB 2.526 31.345 28.738 0.135 0.000 1.391 175 Q HN 0.188 8.458 8.270 -0.000 0.000 0.428 176 V N 1.416 121.278 119.914 -0.087 0.000 2.498 176 V HA 0.340 4.461 4.120 0.002 0.000 0.279 176 V C 0.043 175.976 176.094 -0.268 0.000 1.048 176 V CA -0.489 61.650 62.300 -0.268 0.000 0.967 176 V CB 1.106 32.494 31.823 -0.725 0.000 0.988 176 V HN 0.853 9.043 8.190 -0.000 0.000 0.473 177 A N 4.554 127.170 122.820 -0.340 0.000 2.451 177 A HA 0.595 4.916 4.320 0.002 0.000 0.266 177 A C 0.840 178.172 177.584 -0.419 0.000 1.119 177 A CA 0.419 51.985 52.037 -0.784 0.000 0.786 177 A CB -0.123 18.722 19.000 -0.259 0.000 1.061 177 A HN 1.046 9.196 8.150 -0.000 0.000 0.503 178 G N 1.915 110.463 108.800 -0.420 0.000 2.543 178 G HA2 0.459 4.420 3.960 0.002 0.000 0.290 178 G HA3 0.459 4.420 3.960 0.002 0.000 0.290 178 G C -0.146 174.688 174.900 -0.110 0.000 1.310 178 G CA -0.817 44.195 45.100 -0.147 0.000 1.025 178 G HN 0.667 8.957 8.290 -0.000 0.000 0.502 179 K N -0.389 119.990 120.400 -0.035 0.000 2.414 179 K HA 0.322 4.643 4.320 0.002 0.000 0.272 179 K C 1.133 177.713 176.600 -0.033 0.000 0.993 179 K CA 0.808 57.078 56.287 -0.028 0.000 0.964 179 K CB 0.726 33.223 32.500 -0.005 0.000 0.925 179 K HN 1.256 9.506 8.250 -0.000 0.000 0.487 180 G N 0.807 109.586 108.800 -0.034 0.000 2.176 180 G HA2 -0.296 3.665 3.960 0.002 0.000 0.253 180 G HA3 -0.296 3.665 3.960 0.002 0.000 0.253 180 G C 0.188 175.069 174.900 -0.032 0.000 0.979 180 G CA 0.596 45.679 45.100 -0.029 0.000 0.641 180 G HN 0.741 9.031 8.290 -0.000 0.000 0.530 181 S N -0.852 114.817 115.700 -0.051 0.000 2.646 181 S HA 0.694 5.165 4.470 0.002 0.000 0.276 181 S C 1.430 176.017 174.600 -0.023 0.000 1.222 181 S CA -0.024 58.161 58.200 -0.025 0.000 1.014 181 S CB 2.283 65.409 63.200 -0.123 0.000 0.991 181 S HN 0.657 8.967 8.310 -0.000 0.000 0.533 182 V N 1.879 121.797 119.914 0.008 0.000 2.295 182 V HA -0.174 3.947 4.120 0.002 0.000 0.246 182 V C 3.001 179.056 176.094 -0.066 0.000 1.049 182 V CA 2.413 64.695 62.300 -0.030 0.000 1.024 182 V CB -1.728 30.083 31.823 -0.020 0.000 0.648 182 V HN 1.041 9.231 8.190 -0.000 0.000 0.447 183 A N -0.111 122.665 122.820 -0.072 0.000 1.927 183 A HA -0.364 3.957 4.320 0.002 0.000 0.220 183 A C 2.217 179.721 177.584 -0.133 0.000 1.185 183 A CA 2.285 54.197 52.037 -0.207 0.000 0.639 183 A CB -0.792 18.077 19.000 -0.217 0.000 0.820 183 A HN 0.648 8.798 8.150 -0.000 0.000 0.451 184 D N -0.045 120.307 120.400 -0.080 0.000 2.117 184 D HA -0.110 4.531 4.640 0.002 0.000 0.197 184 D C 2.103 178.374 176.300 -0.049 0.000 0.987 184 D CA 1.555 55.520 54.000 -0.058 0.000 0.829 184 D CB -0.172 40.593 40.800 -0.059 0.000 0.961 184 D HN 0.351 8.721 8.370 -0.000 0.000 0.460 185 A N 0.832 123.619 122.820 -0.054 0.000 1.933 185 A HA -0.100 4.221 4.320 0.002 0.000 0.218 185 A C 2.550 180.108 177.584 -0.043 0.000 1.175 185 A CA 0.899 52.907 52.037 -0.048 0.000 0.628 185 A CB -0.656 18.310 19.000 -0.057 0.000 0.814 185 A HN 0.355 8.505 8.150 -0.000 0.000 0.444 186 I N -0.405 120.127 120.570 -0.062 0.000 2.252 186 I HA -0.238 3.934 4.170 0.002 0.000 0.245 186 I C 2.375 178.471 176.117 -0.035 0.000 1.102 186 I CA 0.948 62.214 61.300 -0.058 0.000 1.385 186 I CB -0.298 37.639 38.000 -0.104 0.000 1.064 186 I HN 0.311 8.521 8.210 -0.000 0.000 0.414 187 L N -0.300 120.895 121.223 -0.047 0.000 1.994 187 L HA -0.248 4.093 4.340 0.002 0.000 0.208 187 L C 2.772 179.657 176.870 0.024 0.000 1.071 187 L CA 1.537 56.367 54.840 -0.016 0.000 0.745 187 L CB -0.713 41.335 42.059 -0.018 0.000 0.892 187 L HN 0.232 8.462 8.230 -0.000 0.000 0.431 188 S N 0.249 115.959 115.700 0.016 0.000 2.359 188 S HA -0.199 4.272 4.470 0.002 0.000 0.223 188 S C 1.981 176.616 174.600 0.058 0.000 1.039 188 S CA 1.477 59.699 58.200 0.035 0.000 1.042 188 S CB -0.321 62.887 63.200 0.013 0.000 0.915 188 S HN 0.306 8.616 8.310 -0.000 0.000 0.439 189 L N 0.750 121.996 121.223 0.039 0.000 2.265 189 L HA -0.042 4.299 4.340 0.002 0.000 0.215 189 L C 2.620 179.547 176.870 0.095 0.000 1.117 189 L CA 1.019 55.888 54.840 0.047 0.000 0.782 189 L CB -0.487 41.584 42.059 0.020 0.000 0.914 189 L HN 0.418 8.648 8.230 -0.000 0.000 0.441 190 A N -0.891 122.006 122.820 0.130 0.000 2.178 190 A HA 0.309 4.630 4.320 0.002 0.000 0.211 190 A C 1.815 179.661 177.584 0.437 0.000 1.157 190 A CA 0.939 53.122 52.037 0.243 0.000 0.780 190 A CB -0.067 19.035 19.000 0.171 0.000 0.828 190 A HN 0.488 8.638 8.150 -0.000 0.000 0.476 191 G N -2.352 106.644 108.800 0.327 0.000 2.229 191 G HA2 0.184 4.145 3.960 0.002 0.000 0.189 191 G HA3 0.184 4.145 3.960 0.002 0.000 0.189 191 G C 0.458 175.557 174.900 0.331 0.000 1.000 191 G CA 0.106 45.480 45.100 0.457 0.000 0.663 191 G HN 1.405 9.695 8.290 -0.000 0.000 0.493 192 A N 0.121 123.026 122.820 0.141 0.000 2.332 192 A HA 0.670 4.991 4.320 0.002 0.000 0.258 192 A C 0.299 177.913 177.584 0.050 0.000 1.087 192 A CA 0.631 52.686 52.037 0.030 0.000 0.802 192 A CB 0.592 19.574 19.000 -0.031 0.000 1.042 192 A HN 0.610 8.760 8.150 -0.000 0.000 0.489 193 E N 1.148 121.364 120.200 0.027 0.000 2.155 193 E HA 0.180 4.531 4.350 0.002 0.000 0.264 193 E C -0.656 175.953 176.600 0.014 0.000 0.886 193 E CA -0.336 56.082 56.400 0.030 0.000 0.752 193 E CB 0.526 30.248 29.700 0.037 0.000 1.133 193 E HN 0.757 9.117 8.360 -0.000 0.000 0.414 194 N N 3.758 122.466 118.700 0.013 0.000 2.442 194 N HA 0.019 4.760 4.740 0.002 0.000 0.265 194 N C 1.097 176.617 175.510 0.016 0.000 1.138 194 N CA -0.252 52.803 53.050 0.008 0.000 0.956 194 N CB 1.063 39.550 38.487 0.000 0.000 1.067 194 N HN 0.403 8.783 8.380 -0.000 0.000 0.474 195 V N 1.725 121.650 119.914 0.019 0.000 3.461 195 V HA 0.266 4.387 4.120 0.002 0.000 0.267 195 V C 0.993 177.128 176.094 0.068 0.000 1.186 195 V CA 0.054 62.377 62.300 0.039 0.000 1.154 195 V CB -0.963 30.886 31.823 0.043 0.000 0.802 195 V HN 0.626 8.816 8.190 -0.000 0.000 0.474 196 A N 1.691 124.542 122.820 0.051 0.000 2.520 196 A HA 0.415 4.736 4.320 0.002 0.000 0.235 196 A C 1.448 179.106 177.584 0.123 0.000 1.065 196 A CA 0.808 52.910 52.037 0.108 0.000 0.764 196 A CB 0.202 19.215 19.000 0.021 0.000 1.002 196 A HN 0.796 8.946 8.150 -0.000 0.000 0.502 197 T N -0.805 113.865 114.554 0.192 0.000 3.038 197 T HA 0.163 4.514 4.350 0.002 0.000 0.244 197 T C 0.804 175.534 174.700 0.049 0.000 1.016 197 T CA 0.464 62.607 62.100 0.072 0.000 1.098 197 T CB -0.433 68.424 68.868 -0.017 0.000 0.954 197 T HN 0.719 8.959 8.240 -0.000 0.000 0.469 198 H N 1.652 120.756 119.070 0.056 0.000 2.660 198 H HA 0.337 4.894 4.556 0.002 0.000 0.374 198 H C 0.127 175.461 175.328 0.009 0.000 1.291 198 H CA -0.350 55.718 56.048 0.034 0.000 1.437 198 H CB 0.477 30.272 29.762 0.055 0.000 1.509 198 H HN 0.261 8.541 8.280 -0.000 0.000 0.614 199 Q N 1.419 121.308 119.800 0.148 0.000 2.230 199 Q HA 0.141 4.482 4.340 0.002 0.000 0.248 199 Q C 0.012 176.045 176.000 0.055 0.000 0.915 199 Q CA -0.582 55.259 55.803 0.064 0.000 0.900 199 Q CB 1.792 30.559 28.738 0.048 0.000 1.229 199 Q HN 0.524 8.794 8.270 -0.000 0.000 0.439 200 Q N -0.432 119.365 119.800 -0.005 0.000 0.611 200 Q HA -0.262 4.079 4.340 0.002 0.000 0.202 200 Q C -1.248 174.717 176.000 -0.057 0.000 1.113 200 Q CA 0.874 56.672 55.803 -0.008 0.000 0.197 200 Q CB -0.867 27.922 28.738 0.085 0.000 5.589 200 Q HN 0.527 8.797 8.270 -0.000 0.000 0.297 201 Y N 0.573 120.887 120.300 0.023 0.000 2.610 201 Y HA 0.274 4.825 4.550 0.002 0.000 0.332 201 Y C 0.592 176.468 175.900 -0.039 0.000 1.201 201 Y CA 0.722 58.820 58.100 -0.003 0.000 1.465 201 Y CB 0.679 39.139 38.460 -0.001 0.000 1.283 201 Y HN 0.089 8.369 8.280 -0.000 0.000 0.563 202 K N 1.418 121.863 120.400 0.076 0.000 2.498 202 K HA 0.348 4.669 4.320 0.002 0.000 0.254 202 K C -1.059 175.609 176.600 0.114 0.000 0.933 202 K CA -0.818 55.470 56.287 0.002 0.000 0.806 202 K CB 2.213 34.563 32.500 -0.250 0.000 1.301 202 K HN 0.448 8.698 8.250 -0.000 0.000 0.432 203 S N 1.839 117.589 115.700 0.085 0.000 2.499 203 S HA 0.335 4.806 4.470 0.002 0.000 0.275 203 S C -0.682 174.046 174.600 0.213 0.000 1.257 203 S CA -0.374 57.892 58.200 0.111 0.000 1.050 203 S CB -0.030 63.194 63.200 0.040 0.000 0.937 203 S HN 0.226 8.536 8.310 -0.000 0.000 0.490 204 Y N 2.223 122.492 120.300 -0.051 0.000 2.323 204 Y HA 0.335 4.886 4.550 0.002 0.000 0.331 204 Y C 1.131 177.007 175.900 -0.039 0.000 1.092 204 Y CA -1.395 56.681 58.100 -0.039 0.000 1.150 204 Y CB 0.947 39.389 38.460 -0.029 0.000 1.200 204 Y HN 0.683 8.963 8.280 -0.000 0.000 0.472 205 S N 1.116 116.839 115.700 0.038 0.000 2.624 205 S HA 0.444 4.915 4.470 0.002 0.000 0.263 205 S C 1.296 175.906 174.600 0.018 0.000 1.287 205 S CA -0.300 57.901 58.200 0.002 0.000 0.990 205 S CB 1.204 64.381 63.200 -0.039 0.000 0.950 205 S HN 0.822 9.132 8.310 -0.000 0.000 0.561 206 A N 1.076 123.884 122.820 -0.019 0.000 1.917 206 A HA -0.144 4.177 4.320 0.002 0.000 0.219 206 A C 1.985 179.555 177.584 -0.024 0.000 1.182 206 A CA 2.046 54.061 52.037 -0.036 0.000 0.633 206 A CB -1.340 17.603 19.000 -0.096 0.000 0.819 206 A HN 0.923 9.073 8.150 -0.000 0.000 0.448 207 E N 0.278 120.455 120.200 -0.038 0.000 2.085 207 E HA -0.121 4.230 4.350 0.002 0.000 0.194 207 E C 2.241 178.834 176.600 -0.010 0.000 0.994 207 E CA 1.622 58.002 56.400 -0.033 0.000 0.801 207 E CB -0.414 29.259 29.700 -0.045 0.000 0.743 207 E HN 0.549 8.909 8.360 -0.000 0.000 0.453 208 S N 0.304 115.992 115.700 -0.020 0.000 2.402 208 S HA -0.071 4.401 4.470 0.002 0.000 0.229 208 S C 1.776 176.476 174.600 0.166 0.000 1.021 208 S CA 0.618 58.797 58.200 -0.034 0.000 0.974 208 S CB -0.184 62.841 63.200 -0.291 0.000 0.800 208 S HN 0.126 8.436 8.310 -0.000 0.000 0.484 209 L N 1.813 123.172 121.223 0.228 0.000 2.072 209 L HA 0.112 4.453 4.340 0.002 0.000 0.205 209 L C 1.862 178.804 176.870 0.119 0.000 1.079 209 L CA 1.494 56.471 54.840 0.228 0.000 0.752 209 L CB -0.485 41.651 42.059 0.128 0.000 0.906 209 L HN 0.257 8.487 8.230 -0.000 0.000 0.436 210 I N -0.494 120.121 120.570 0.075 0.000 2.252 210 I HA -0.267 3.904 4.170 0.002 0.000 0.245 210 I C 2.572 178.725 176.117 0.059 0.000 1.102 210 I CA 1.136 62.472 61.300 0.059 0.000 1.385 210 I CB -0.673 37.349 38.000 0.037 0.000 1.064 210 I HN 0.322 8.532 8.210 -0.000 0.000 0.414 211 A N 0.824 123.676 122.820 0.053 0.000 1.933 211 A HA -0.162 4.159 4.320 0.002 0.000 0.218 211 A C 2.542 180.163 177.584 0.062 0.000 1.175 211 A CA 1.801 53.865 52.037 0.044 0.000 0.628 211 A CB -0.808 18.206 19.000 0.023 0.000 0.814 211 A HN 0.434 8.584 8.150 -0.000 0.000 0.444 212 A N -0.189 122.692 122.820 0.102 0.000 1.972 212 A HA -0.091 4.230 4.320 0.002 0.000 0.219 212 A C 1.152 178.779 177.584 0.072 0.000 1.169 212 A CA 1.362 53.467 52.037 0.113 0.000 0.635 212 A CB -0.744 18.366 19.000 0.182 0.000 0.810 212 A HN 0.997 9.147 8.150 -0.000 0.000 0.446 213 N N -0.557 118.181 118.700 0.064 0.000 2.637 213 N HA -0.116 4.625 4.740 0.002 0.000 0.287 213 N C -2.516 173.016 175.510 0.037 0.000 1.130 213 N CA 0.810 53.889 53.050 0.049 0.000 0.764 213 N CB -0.599 37.913 38.487 0.042 0.000 0.935 213 N HN 0.425 8.805 8.380 -0.000 0.000 0.558 214 P HA 0.211 4.631 4.420 -0.000 0.000 0.290 214 P C 0.002 177.305 177.300 0.005 0.000 1.275 214 P CA -0.411 62.698 63.100 0.014 0.000 0.841 214 P CB 1.168 32.873 31.700 0.007 0.000 1.042 215 E N 0.147 120.338 120.200 -0.015 0.000 2.072 215 E HA -0.010 4.341 4.350 0.002 0.000 0.191 215 E C 0.297 176.873 176.600 -0.041 0.000 0.985 215 E CA 1.067 57.449 56.400 -0.030 0.000 0.801 215 E CB 0.044 29.710 29.700 -0.057 0.000 0.750 215 E HN 0.230 8.590 8.360 -0.000 0.000 0.452 216 V N 0.874 120.755 119.914 -0.054 0.000 2.914 216 V HA 0.403 4.524 4.120 0.002 0.000 0.314 216 V C -0.490 175.592 176.094 -0.019 0.000 1.084 216 V CA -0.754 61.513 62.300 -0.054 0.000 0.963 216 V CB 2.255 34.012 31.823 -0.110 0.000 1.025 216 V HN 0.045 8.235 8.190 -0.000 0.000 0.432 217 I N 2.569 123.141 120.570 0.003 0.000 2.499 217 I HA 0.517 4.688 4.170 0.002 0.000 0.288 217 I C -0.957 175.188 176.117 0.047 0.000 1.048 217 I CA -0.779 60.537 61.300 0.026 0.000 1.062 217 I CB 2.258 40.284 38.000 0.043 0.000 1.238 217 I HN 0.273 8.483 8.210 -0.000 0.000 0.426 218 V N 6.778 126.749 119.914 0.096 0.000 2.483 218 V HA 0.626 4.747 4.120 0.002 0.000 0.295 218 V C -0.076 176.137 176.094 0.198 0.000 1.035 218 V CA -0.559 61.851 62.300 0.182 0.000 0.896 218 V CB 1.876 33.866 31.823 0.279 0.000 0.986 218 V HN 0.544 8.734 8.190 -0.000 0.000 0.447 219 V N 0.957 120.969 119.914 0.165 0.000 3.160 219 V HA 0.725 4.846 4.120 0.002 0.000 0.310 219 V C -0.120 176.089 176.094 0.191 0.000 1.181 219 V CA -0.717 61.625 62.300 0.070 0.000 1.047 219 V CB 1.810 33.636 31.823 0.005 0.000 1.068 219 V HN 0.773 8.963 8.190 -0.000 0.000 0.441 220 T N 0.631 115.276 114.554 0.151 0.000 2.913 220 T HA 0.258 4.610 4.350 0.002 0.000 0.297 220 T C 1.390 176.144 174.700 0.090 0.000 1.029 220 T CA 0.481 62.677 62.100 0.161 0.000 1.104 220 T CB 1.039 69.990 68.868 0.138 0.000 0.964 220 T HN 1.575 9.815 8.240 -0.000 0.000 0.532 221 S N 2.876 118.622 115.700 0.077 0.000 2.447 221 S HA -0.093 4.378 4.470 0.002 0.000 0.233 221 S C 1.703 176.328 174.600 0.043 0.000 1.006 221 S CA 0.532 58.762 58.200 0.050 0.000 0.957 221 S CB -0.287 62.938 63.200 0.040 0.000 0.773 221 S HN 0.752 9.062 8.310 -0.000 0.000 0.507 222 Q N 0.810 120.639 119.800 0.048 0.000 2.187 222 Q HA 0.276 4.617 4.340 0.002 0.000 0.199 222 Q C 2.083 178.102 176.000 0.031 0.000 0.957 222 Q CA 1.156 56.983 55.803 0.039 0.000 0.857 222 Q CB -0.453 28.310 28.738 0.043 0.000 0.929 222 Q HN 0.710 8.980 8.270 -0.000 0.000 0.453 223 M N -0.771 118.848 119.600 0.032 0.000 2.288 223 M HA -0.070 4.411 4.480 0.002 0.000 0.266 223 M C 1.158 177.476 176.300 0.030 0.000 1.072 223 M CA 0.939 56.251 55.300 0.021 0.000 1.132 223 M CB 0.317 32.920 32.600 0.006 0.000 1.386 223 M HN 0.088 8.378 8.290 -0.000 0.000 0.432 224 V N 0.536 120.472 119.914 0.036 0.000 2.379 224 V HA -0.137 3.984 4.120 0.002 0.000 0.243 224 V C 1.237 177.350 176.094 0.031 0.000 1.035 224 V CA 1.483 63.806 62.300 0.039 0.000 1.035 224 V CB -0.474 31.369 31.823 0.035 0.000 0.673 224 V HN 0.711 8.901 8.190 -0.000 0.000 0.457 225 D N -0.121 120.295 120.400 0.026 0.000 3.798 225 D HA -0.227 4.414 4.640 0.002 0.000 0.150 225 D C 1.085 177.395 176.300 0.017 0.000 0.953 225 D CA 1.930 55.943 54.000 0.021 0.000 1.089 225 D CB -1.638 39.175 40.800 0.021 0.000 0.535 225 D HN 0.438 8.808 8.370 -0.000 0.000 0.563 226 G N -0.074 108.735 108.800 0.015 0.000 3.575 226 G HA2 0.356 4.317 3.960 0.002 0.000 0.273 226 G HA3 0.356 4.317 3.960 0.002 0.000 0.273 226 G C -0.532 174.374 174.900 0.010 0.000 1.053 226 G CA 0.729 45.835 45.100 0.010 0.000 0.803 226 G HN 0.474 8.764 8.290 -0.000 0.000 0.528 227 D N -0.005 120.406 120.400 0.018 0.000 2.323 227 D HA 0.143 4.784 4.640 0.002 0.000 0.242 227 D C 0.985 177.311 176.300 0.044 0.000 1.347 227 D CA -0.731 53.284 54.000 0.025 0.000 0.988 227 D CB 0.982 41.800 40.800 0.029 0.000 1.314 227 D HN -0.119 8.251 8.370 -0.000 0.000 0.564 228 I N 3.712 124.301 120.570 0.032 0.000 2.502 228 I HA -0.182 3.989 4.170 0.002 0.000 0.258 228 I C 1.288 177.520 176.117 0.191 0.000 1.172 228 I CA 1.570 62.904 61.300 0.056 0.000 1.430 228 I CB -0.275 37.679 38.000 -0.076 0.000 1.086 228 I HN 0.442 8.652 8.210 -0.000 0.000 0.440 229 N N -0.108 118.689 118.700 0.162 0.000 2.453 229 N HA -0.114 4.627 4.740 0.002 0.000 0.183 229 N C 1.663 177.261 175.510 0.147 0.000 1.041 229 N CA 0.333 53.508 53.050 0.209 0.000 0.900 229 N CB -0.082 38.484 38.487 0.132 0.000 0.961 229 N HN 0.347 8.727 8.380 -0.000 0.000 0.443 230 R N 0.474 121.038 120.500 0.107 0.000 2.193 230 R HA -0.039 4.302 4.340 0.002 0.000 0.229 230 R C 1.333 177.671 176.300 0.062 0.000 1.110 230 R CA 0.678 56.817 56.100 0.066 0.000 0.988 230 R CB -0.158 30.172 30.300 0.049 0.000 0.871 230 R HN 0.344 8.614 8.270 -0.000 0.000 0.458 231 L N -0.081 121.211 121.223 0.115 0.000 2.599 231 L HA 0.017 4.359 4.340 0.002 0.000 0.230 231 L C 1.850 178.695 176.870 -0.041 0.000 1.141 231 L CA 0.423 55.311 54.840 0.080 0.000 0.877 231 L CB -0.221 41.970 42.059 0.220 0.000 1.009 231 L HN 0.074 8.304 8.230 -0.000 0.000 0.447 232 R N 0.221 120.696 120.500 -0.042 0.000 2.293 232 R HA -0.094 4.247 4.340 0.002 0.000 0.219 232 R C 2.221 178.449 176.300 -0.119 0.000 1.091 232 R CA 1.319 57.330 56.100 -0.148 0.000 1.004 232 R CB -0.146 30.114 30.300 -0.066 0.000 0.865 232 R HN 0.414 8.684 8.270 -0.000 0.000 0.469 233 S N -0.106 115.552 115.700 -0.071 0.000 2.593 233 S HA 0.115 4.586 4.470 0.002 0.000 0.217 233 S C 0.761 175.320 174.600 -0.068 0.000 0.966 233 S CA -0.108 58.056 58.200 -0.060 0.000 0.914 233 S CB 0.003 63.181 63.200 -0.036 0.000 0.776 233 S HN 0.095 8.405 8.310 -0.000 0.000 0.523 234 I N 2.964 123.482 120.570 -0.086 0.000 2.363 234 I HA 0.306 4.477 4.170 0.002 0.000 0.292 234 I C 0.766 176.828 176.117 -0.091 0.000 1.075 234 I CA -0.575 60.677 61.300 -0.079 0.000 1.333 234 I CB 0.637 38.589 38.000 -0.079 0.000 1.415 234 I HN 0.207 8.417 8.210 -0.000 0.000 0.502 235 A N 5.256 128.036 122.820 -0.065 0.000 2.573 235 A HA 0.320 4.642 4.320 0.002 0.000 0.250 235 A C 1.493 179.037 177.584 -0.066 0.000 1.049 235 A CA 0.785 52.783 52.037 -0.066 0.000 0.767 235 A CB -0.517 18.458 19.000 -0.041 0.000 0.965 235 A HN 1.236 9.386 8.150 -0.000 0.000 0.514 236 G N 2.137 110.879 108.800 -0.096 0.000 2.328 236 G HA2 -0.370 3.591 3.960 0.002 0.000 0.256 236 G HA3 -0.370 3.591 3.960 0.002 0.000 0.256 236 G C 1.121 175.981 174.900 -0.067 0.000 1.014 236 G CA 0.738 45.789 45.100 -0.081 0.000 0.620 236 G HN 1.292 9.582 8.290 -0.000 0.000 0.530 237 I N 0.900 121.395 120.570 -0.125 0.000 2.315 237 I HA -0.156 4.015 4.170 0.002 0.000 0.251 237 I C 2.542 178.457 176.117 -0.337 0.000 1.125 237 I CA 2.405 63.611 61.300 -0.156 0.000 1.392 237 I CB -0.090 37.813 38.000 -0.162 0.000 1.065 237 I HN 0.244 8.454 8.210 -0.000 0.000 0.424 238 T N -0.641 113.571 114.554 -0.570 0.000 3.007 238 T HA -0.137 4.214 4.350 0.002 0.000 0.270 238 T C 0.827 175.283 174.700 -0.407 0.000 1.107 238 T CA 1.086 62.607 62.100 -0.964 0.000 1.118 238 T CB -0.330 68.097 68.868 -0.735 0.000 0.889 238 T HN 0.467 8.707 8.240 -0.000 0.000 0.506 239 H N 0.602 119.546 119.070 -0.209 0.000 2.505 239 H HA 0.270 4.827 4.556 0.002 0.000 0.286 239 H C 0.914 176.241 175.328 -0.002 0.000 1.072 239 H CA -0.329 55.679 56.048 -0.067 0.000 1.141 239 H CB 0.059 29.785 29.762 -0.061 0.000 1.550 239 H HN 0.278 8.558 8.280 -0.000 0.000 0.547 240 T N -3.298 111.320 114.554 0.106 0.000 2.902 240 T HA 0.539 4.890 4.350 0.002 0.000 0.280 240 T C 1.719 176.496 174.700 0.128 0.000 0.992 240 T CA -0.288 61.880 62.100 0.112 0.000 1.015 240 T CB 1.901 70.832 68.868 0.105 0.000 1.044 240 T HN 0.141 8.381 8.240 -0.000 0.000 0.520 241 A N 1.250 124.124 122.820 0.091 0.000 1.902 241 A HA 0.214 4.535 4.320 0.002 0.000 0.217 241 A C 2.612 180.242 177.584 0.076 0.000 1.181 241 A CA 1.672 53.752 52.037 0.071 0.000 0.623 241 A CB -1.521 17.505 19.000 0.044 0.000 0.818 241 A HN 1.242 9.392 8.150 -0.000 0.000 0.443 242 A N -1.109 121.760 122.820 0.083 0.000 1.908 242 A HA -0.217 4.104 4.320 0.002 0.000 0.218 242 A C 2.118 179.763 177.584 0.101 0.000 1.181 242 A CA 1.511 53.588 52.037 0.067 0.000 0.627 242 A CB -0.893 18.146 19.000 0.065 0.000 0.818 242 A HN 0.870 9.020 8.150 -0.000 0.000 0.445 243 W N 0.960 122.246 121.300 -0.022 0.000 2.379 243 W HA -0.127 4.533 4.660 0.002 0.000 0.307 243 W C 1.870 178.369 176.519 -0.033 0.000 1.200 243 W CA 1.936 59.266 57.345 -0.026 0.000 1.297 243 W CB -0.335 29.113 29.460 -0.021 0.000 1.140 243 W HN 0.337 8.517 8.180 -0.000 0.000 0.507 244 K N 0.345 120.871 120.400 0.210 0.000 2.009 244 K HA -0.206 4.115 4.320 0.002 0.000 0.210 244 K C 1.485 178.076 176.600 -0.014 0.000 1.049 244 K CA 2.049 58.392 56.287 0.093 0.000 0.929 244 K CB -0.688 31.864 32.500 0.086 0.000 0.714 244 K HN 0.281 8.531 8.250 -0.000 0.000 0.440 245 N N 1.214 119.907 118.700 -0.011 0.000 2.521 245 N HA -0.052 4.689 4.740 0.002 0.000 0.188 245 N C -0.683 174.780 175.510 -0.079 0.000 1.146 245 N CA -0.051 52.976 53.050 -0.038 0.000 0.893 245 N CB 0.199 38.672 38.487 -0.022 0.000 0.975 245 N HN 0.154 8.534 8.380 -0.000 0.000 0.451 246 Q N -0.136 119.585 119.800 -0.131 0.000 2.468 246 Q HA -0.184 4.157 4.340 0.002 0.000 0.289 246 Q C -0.588 175.332 176.000 -0.132 0.000 1.299 246 Q CA 0.327 56.016 55.803 -0.191 0.000 0.838 246 Q CB -0.875 27.756 28.738 -0.178 0.000 1.195 246 Q HN 0.343 8.613 8.270 -0.000 0.000 0.456 247 R N 0.646 121.091 120.500 -0.092 0.000 3.585 247 R HA 0.287 4.628 4.340 0.002 0.000 0.324 247 R C -0.523 175.745 176.300 -0.054 0.000 1.372 247 R CA -0.299 55.757 56.100 -0.073 0.000 1.291 247 R CB 0.073 30.336 30.300 -0.062 0.000 1.470 247 R HN 0.171 8.441 8.270 -0.000 0.000 0.633 248 I N 1.509 122.039 120.570 -0.067 0.000 2.330 248 I HA 0.302 4.473 4.170 0.002 0.000 0.286 248 I C 0.461 176.560 176.117 -0.030 0.000 1.025 248 I CA -0.347 60.935 61.300 -0.029 0.000 1.197 248 I CB 0.972 38.953 38.000 -0.031 0.000 1.358 248 I HN 0.026 8.236 8.210 -0.000 0.000 0.467 249 I N 4.857 125.422 120.570 -0.008 0.000 2.577 249 I HA 0.392 4.563 4.170 0.002 0.000 0.300 249 I C 0.362 176.500 176.117 0.036 0.000 0.990 249 I CA -0.324 60.975 61.300 -0.001 0.000 1.283 249 I CB 1.368 39.362 38.000 -0.011 0.000 1.411 249 I HN 0.404 8.614 8.210 -0.000 0.000 0.515 250 T N 4.454 119.027 114.554 0.032 0.000 2.856 250 T HA 0.571 4.922 4.350 0.002 0.000 0.283 250 T C -1.048 173.686 174.700 0.057 0.000 1.008 250 T CA -0.450 61.684 62.100 0.055 0.000 0.997 250 T CB 2.122 71.011 68.868 0.035 0.000 0.992 250 T HN 0.345 8.585 8.240 -0.000 0.000 0.454 251 V N 2.437 122.403 119.914 0.085 0.000 2.971 251 V HA 0.429 4.550 4.120 0.002 0.000 0.309 251 V C -1.203 174.929 176.094 0.064 0.000 1.130 251 V CA -0.965 61.368 62.300 0.055 0.000 0.964 251 V CB 2.225 34.063 31.823 0.026 0.000 1.029 251 V HN 0.905 9.095 8.190 -0.000 0.000 0.427 252 D N 3.594 124.012 120.400 0.030 0.000 2.450 252 D HA 0.027 4.668 4.640 0.002 0.000 0.247 252 D C 0.913 177.239 176.300 0.043 0.000 1.162 252 D CA 0.732 54.749 54.000 0.030 0.000 0.879 252 D CB 1.671 42.471 40.800 -0.001 0.000 1.163 252 D HN 0.772 9.142 8.370 -0.000 0.000 0.472 253 Q N 3.475 123.320 119.800 0.074 0.000 2.135 253 Q HA -0.250 4.091 4.340 0.002 0.000 0.204 253 Q C 0.743 176.784 176.000 0.068 0.000 0.981 253 Q CA 1.614 57.478 55.803 0.102 0.000 0.856 253 Q CB 0.002 28.805 28.738 0.109 0.000 0.902 253 Q HN 0.576 8.846 8.270 -0.000 0.000 0.425 254 N N -0.633 118.096 118.700 0.048 0.000 2.416 254 N HA 0.010 4.751 4.740 0.002 0.000 0.215 254 N C 0.542 176.055 175.510 0.004 0.000 1.208 254 N CA 0.307 53.382 53.050 0.042 0.000 0.834 254 N CB 0.251 38.767 38.487 0.049 0.000 1.072 254 N HN 0.300 8.680 8.380 -0.000 0.000 0.472 255 L N -0.848 120.367 121.223 -0.013 0.000 3.039 255 L HA 0.312 4.653 4.340 0.002 0.000 0.269 255 L C 0.246 177.082 176.870 -0.058 0.000 1.169 255 L CA -0.060 54.753 54.840 -0.045 0.000 0.986 255 L CB 0.272 42.294 42.059 -0.061 0.000 1.377 255 L HN 0.237 8.467 8.230 -0.000 0.000 0.575 256 I N -3.829 116.702 120.570 -0.064 0.000 4.102 256 I HA 0.194 4.365 4.170 0.002 0.000 0.325 256 I C 0.891 176.974 176.117 -0.057 0.000 1.471 256 I CA 0.406 61.625 61.300 -0.135 0.000 1.133 256 I CB -0.018 37.763 38.000 -0.364 0.000 1.184 256 I HN -0.080 8.130 8.210 -0.000 0.000 0.451 257 L N 0.676 121.909 121.223 0.017 0.000 2.638 257 L HA 0.656 4.997 4.340 0.002 0.000 0.232 257 L C 0.908 177.808 176.870 0.050 0.000 1.099 257 L CA 0.240 55.119 54.840 0.065 0.000 0.883 257 L CB 0.413 42.532 42.059 0.099 0.000 1.136 257 L HN 0.454 8.684 8.230 -0.000 0.000 0.492 258 G N -0.092 108.731 108.800 0.038 0.000 2.690 258 G HA2 0.567 4.528 3.960 0.002 0.000 0.293 258 G HA3 0.567 4.528 3.960 0.002 0.000 0.293 258 G C -1.064 173.858 174.900 0.037 0.000 1.399 258 G CA -0.578 44.548 45.100 0.043 0.000 0.890 258 G HN -0.146 8.144 8.290 -0.000 0.000 0.485 259 M N 2.161 121.790 119.600 0.049 0.000 2.152 259 M HA 0.418 4.899 4.480 0.002 0.000 0.354 259 M C 0.606 176.961 176.300 0.091 0.000 1.173 259 M CA -0.288 55.039 55.300 0.046 0.000 1.110 259 M CB 1.052 33.663 32.600 0.018 0.000 1.366 259 M HN 0.610 8.900 8.290 -0.000 0.000 0.415 260 G N 1.865 110.711 108.800 0.077 0.000 3.016 260 G HA2 0.533 4.494 3.960 0.002 0.000 0.270 260 G HA3 0.533 4.494 3.960 0.002 0.000 0.270 260 G C -2.431 172.517 174.900 0.080 0.000 1.352 260 G CA -1.202 43.953 45.100 0.091 0.000 1.060 260 G HN 0.304 8.594 8.290 -0.000 0.000 0.538 261 P HA -0.045 4.375 4.420 -0.000 0.000 0.222 261 P C 1.301 178.639 177.300 0.062 0.000 1.142 261 P CA 0.889 64.040 63.100 0.085 0.000 0.788 261 P CB 0.185 31.948 31.700 0.105 0.000 0.767 262 R N -1.373 119.148 120.500 0.034 0.000 2.393 262 R HA 0.256 4.597 4.340 0.002 0.000 0.244 262 R C 1.914 178.213 176.300 -0.003 0.000 0.920 262 R CA -0.248 55.850 56.100 -0.003 0.000 1.076 262 R CB -0.507 29.746 30.300 -0.079 0.000 1.119 262 R HN 0.235 8.505 8.270 -0.000 0.000 0.524 263 I N 0.998 121.579 120.570 0.018 0.000 2.315 263 I HA -0.323 3.848 4.170 0.002 0.000 0.251 263 I C 2.083 178.209 176.117 0.015 0.000 1.125 263 I CA 1.371 62.679 61.300 0.013 0.000 1.392 263 I CB 0.057 38.074 38.000 0.028 0.000 1.065 263 I HN 0.216 8.426 8.210 -0.000 0.000 0.424 264 A N 0.229 123.064 122.820 0.026 0.000 1.898 264 A HA -0.210 4.111 4.320 0.002 0.000 0.216 264 A C 1.912 179.505 177.584 0.014 0.000 1.181 264 A CA 1.798 53.849 52.037 0.023 0.000 0.620 264 A CB -0.597 18.420 19.000 0.028 0.000 0.819 264 A HN 0.446 8.596 8.150 -0.000 0.000 0.442 265 D N -0.348 120.056 120.400 0.006 0.000 2.104 265 D HA -0.149 4.492 4.640 0.002 0.000 0.194 265 D C 2.000 178.300 176.300 0.001 0.000 0.994 265 D CA 1.662 55.662 54.000 0.001 0.000 0.830 265 D CB -0.728 40.062 40.800 -0.017 0.000 0.959 265 D HN 0.225 8.595 8.370 -0.000 0.000 0.452 266 V N 0.526 120.434 119.914 -0.010 0.000 2.453 266 V HA -0.169 3.952 4.120 0.002 0.000 0.247 266 V C 2.369 178.469 176.094 0.009 0.000 1.048 266 V CA 1.083 63.376 62.300 -0.012 0.000 1.049 266 V CB -0.081 31.720 31.823 -0.037 0.000 0.672 266 V HN -0.007 8.183 8.190 -0.000 0.000 0.457 267 V N 0.435 120.360 119.914 0.017 0.000 2.295 267 V HA -0.244 3.877 4.120 0.002 0.000 0.246 267 V C 2.474 178.619 176.094 0.085 0.000 1.049 267 V CA 2.531 64.857 62.300 0.043 0.000 1.024 267 V CB -0.718 31.124 31.823 0.033 0.000 0.648 267 V HN 0.654 8.844 8.190 -0.000 0.000 0.447 268 E N -0.063 120.173 120.200 0.060 0.000 2.077 268 E HA -0.219 4.132 4.350 0.002 0.000 0.193 268 E C 2.398 179.070 176.600 0.119 0.000 0.989 268 E CA 1.565 58.011 56.400 0.077 0.000 0.800 268 E CB -0.314 29.409 29.700 0.037 0.000 0.746 268 E HN 0.531 8.891 8.360 -0.000 0.000 0.452 269 S N 0.911 116.657 115.700 0.076 0.000 2.356 269 S HA -0.158 4.313 4.470 0.002 0.000 0.223 269 S C 2.032 176.677 174.600 0.076 0.000 1.032 269 S CA 0.934 59.173 58.200 0.065 0.000 1.005 269 S CB -0.187 63.032 63.200 0.032 0.000 0.867 269 S HN 0.194 8.504 8.310 -0.000 0.000 0.449 270 L N 2.290 123.555 121.223 0.069 0.000 2.046 270 L HA -0.093 4.249 4.340 0.002 0.000 0.208 270 L C 2.356 179.280 176.870 0.090 0.000 1.077 270 L CA 2.512 57.383 54.840 0.052 0.000 0.747 270 L CB -1.347 40.730 42.059 0.030 0.000 0.896 270 L HN 0.578 8.808 8.230 -0.000 0.000 0.432 271 H N -0.411 118.714 119.070 0.092 0.000 2.352 271 H HA -0.246 4.311 4.556 0.002 0.000 0.299 271 H C 2.122 177.598 175.328 0.247 0.000 1.097 271 H CA 2.217 58.390 56.048 0.209 0.000 1.311 271 H CB 0.105 29.991 29.762 0.206 0.000 1.377 271 H HN 0.655 8.935 8.280 -0.000 0.000 0.504 272 Q N 0.464 120.395 119.800 0.219 0.000 2.050 272 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 272 Q C 2.353 178.384 176.000 0.051 0.000 0.980 272 Q CA 1.762 57.657 55.803 0.153 0.000 0.840 272 Q CB 0.030 28.851 28.738 0.138 0.000 0.898 272 Q HN 0.589 8.859 8.270 -0.000 0.000 0.424 273 Q N -0.015 119.791 119.800 0.010 0.000 2.291 273 Q HA -0.101 4.240 4.340 0.002 0.000 0.206 273 Q C 1.957 177.873 176.000 -0.139 0.000 0.976 273 Q CA 0.983 56.759 55.803 -0.044 0.000 0.875 273 Q CB 0.027 28.744 28.738 -0.035 0.000 0.927 273 Q HN 0.438 8.708 8.270 -0.000 0.000 0.450 274 L N -1.153 119.931 121.223 -0.233 0.000 2.418 274 L HA 0.000 4.341 4.340 0.002 0.000 0.218 274 L C 0.404 176.799 176.870 -0.791 0.000 1.125 274 L CA 0.193 54.688 54.840 -0.576 0.000 0.835 274 L CB 0.251 41.815 42.059 -0.824 0.000 0.953 274 L HN 0.332 8.562 8.230 -0.000 0.000 0.454 275 W N 0.307 121.504 121.300 -0.171 0.000 1.851 275 W HA 0.310 4.971 4.660 0.002 0.000 0.303 275 W C -2.622 173.847 176.519 -0.084 0.000 0.969 275 W CA -1.934 55.327 57.345 -0.140 0.000 1.537 275 W CB 0.159 29.492 29.460 -0.211 0.000 1.682 275 W HN -0.160 8.020 8.180 -0.000 0.000 0.367 276 P HA 0.089 4.509 4.420 -0.000 0.000 0.271 276 P C -0.002 177.342 177.300 0.073 0.000 1.218 276 P CA 0.562 63.698 63.100 0.061 0.000 0.780 276 P CB 0.741 32.451 31.700 0.016 0.000 0.901 277 Q N 0.000 119.835 119.800 0.058 0.000 2.315 277 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 277 Q CA 0.000 55.832 55.803 0.049 0.000 1.022 277 Q CB 0.000 28.758 28.738 0.034 0.000 1.108 277 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481