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 2zy9_1_A DATA FIRST_RESID 23 DATA SEQUENCE EVLEEIHPQD LLALWDELKG EHRYVVLTLL PKAKAAEVLS HLSPEEQAEY DATA SEQUENCE LKTLPPWRLR EILEELSLDD LADALQAVRK EDPAYFQRLK DLLDPRTRAE DATA SEQUENCE VEALARYEED EAGGLMTPEY VAVREGMTVE EVLRFLRRAA PDAETIYYIY DATA SEQUENCE VVDEKGRLKG VLSLRDLIVA DPRTRVAEIM NPKVVYVRTD TDQEEVARLM DATA SEQUENCE ADYDFTVLPV VDEEGRLVGI VTVDDVLDVL EAEATEDIHK LGAVDVPDLV DATA SEQUENCE YSEAGPVALW LARVRWLVIL ILTGMVTSSI LQGFESVLEA VTALAFYVPV DATA SEQUENCE LLGTGGNTGN QSATLIIRAL ATRDLDLRDW RRVFLKEMGV GLLLGLTLSF DATA SEQUENCE LLVGKVYWDG HPLLLPVVGV SLVLIVFFAN LVGAMLPFLL RRLGVDPALV DATA SEQUENCE SNPLVATLSD VTGLLIYLSV ARLLLEA 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 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.609 176.600 0.015 0.000 1.382 23 E CA 0.000 56.407 56.400 0.012 0.000 0.976 23 E CB 0.000 29.708 29.700 0.013 0.000 0.812 24 V N 2.328 122.252 119.914 0.017 0.000 3.644 24 V HA 0.128 4.248 4.120 -0.000 0.000 0.267 24 V C 2.443 178.549 176.094 0.020 0.000 1.277 24 V CA 1.214 63.527 62.300 0.021 0.000 1.096 24 V CB -0.097 31.741 31.823 0.025 0.000 0.828 24 V HN 0.477 nan 8.190 nan 0.000 0.446 25 L N 0.194 121.427 121.223 0.016 0.000 2.551 25 L HA 0.176 4.516 4.340 -0.000 0.000 0.230 25 L C 2.037 178.912 176.870 0.008 0.000 1.163 25 L CA 2.432 57.281 54.840 0.014 0.000 0.826 25 L CB -1.838 40.229 42.059 0.014 0.000 0.943 25 L HN 0.656 nan 8.230 nan 0.000 0.452 26 E N -1.396 118.809 120.200 0.009 0.000 2.641 26 E HA 0.414 4.764 4.350 -0.000 0.000 0.224 26 E C 1.647 178.253 176.600 0.011 0.000 0.951 26 E CA 1.294 57.696 56.400 0.003 0.000 1.102 26 E CB -0.408 29.294 29.700 0.003 0.000 1.091 26 E HN 0.911 nan 8.360 nan 0.000 0.507 27 E N 0.411 120.623 120.200 0.020 0.000 2.127 27 E HA 0.355 4.705 4.350 -0.000 0.000 0.191 27 E C 1.254 177.883 176.600 0.049 0.000 0.964 27 E CA 0.751 57.171 56.400 0.033 0.000 0.832 27 E CB -0.606 29.113 29.700 0.032 0.000 0.790 27 E HN 0.905 nan 8.360 nan 0.000 0.465 28 I N -0.856 119.742 120.570 0.047 0.000 2.588 28 I HA 0.346 4.516 4.170 -0.000 0.000 0.283 28 I C 0.418 176.581 176.117 0.076 0.000 1.119 28 I CA -0.826 60.516 61.300 0.070 0.000 1.419 28 I CB 0.610 38.648 38.000 0.063 0.000 1.394 28 I HN 0.175 nan 8.210 nan 0.000 0.562 29 H N 6.777 125.864 119.070 0.029 0.000 2.482 29 H HA 0.336 4.893 4.556 0.001 0.000 0.344 29 H C -1.965 173.381 175.328 0.030 0.000 1.151 29 H CA -1.846 54.219 56.048 0.028 0.000 1.300 29 H CB 1.992 31.773 29.762 0.031 0.000 1.494 29 H HN 0.424 nan 8.280 nan 0.000 0.542 30 P HA -0.179 nan 4.420 nan 0.000 0.216 30 P C 1.457 178.875 177.300 0.195 0.000 1.153 30 P CA 1.234 64.381 63.100 0.078 0.000 0.858 30 P CB 0.408 32.106 31.700 -0.003 0.000 0.789 31 Q N -0.317 119.701 119.800 0.363 0.000 2.096 31 Q HA -0.184 4.155 4.340 -0.000 0.000 0.204 31 Q C 1.778 177.860 176.000 0.137 0.000 0.982 31 Q CA 1.437 57.357 55.803 0.194 0.000 0.850 31 Q CB -1.173 27.612 28.738 0.078 0.000 0.901 31 Q HN 0.375 nan 8.270 nan 0.000 0.422 32 D N 0.550 121.038 120.400 0.147 0.000 2.116 32 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 32 D C 2.117 178.499 176.300 0.136 0.000 0.998 32 D CA 0.943 55.015 54.000 0.119 0.000 0.836 32 D CB -0.261 40.610 40.800 0.119 0.000 0.951 32 D HN 0.227 nan 8.370 nan 0.000 0.449 33 L N 0.226 121.540 121.223 0.152 0.000 2.201 33 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 33 L C 2.560 179.591 176.870 0.268 0.000 1.105 33 L CA 0.252 55.214 54.840 0.203 0.000 0.775 33 L CB -0.162 42.009 42.059 0.185 0.000 0.913 33 L HN 0.042 nan 8.230 nan 0.000 0.440 34 L N -0.568 120.755 121.223 0.167 0.000 1.976 34 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 34 L C 2.907 179.900 176.870 0.205 0.000 1.071 34 L CA 1.358 56.276 54.840 0.130 0.000 0.746 34 L CB -0.721 41.386 42.059 0.080 0.000 0.890 34 L HN 0.240 nan 8.230 nan 0.000 0.432 35 A N 0.073 122.984 122.820 0.152 0.000 1.892 35 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 35 A C 2.238 179.920 177.584 0.163 0.000 1.188 35 A CA 2.483 54.600 52.037 0.133 0.000 0.631 35 A CB -1.394 17.660 19.000 0.091 0.000 0.822 35 A HN 0.348 nan 8.150 nan 0.000 0.447 36 L N -2.263 119.063 121.223 0.173 0.000 2.599 36 L HA 0.119 4.459 4.340 -0.000 0.000 0.230 36 L C 2.113 179.093 176.870 0.183 0.000 1.141 36 L CA 1.075 56.003 54.840 0.147 0.000 0.877 36 L CB -1.929 40.198 42.059 0.113 0.000 1.009 36 L HN 0.794 nan 8.230 nan 0.000 0.447 37 W N -0.010 121.322 121.300 0.052 0.000 2.374 37 W HA -0.203 4.456 4.660 -0.002 0.000 0.288 37 W C 1.741 178.298 176.519 0.064 0.000 1.218 37 W CA 1.895 59.275 57.345 0.059 0.000 1.245 37 W CB 0.063 29.558 29.460 0.059 0.000 1.126 37 W HN 0.624 nan 8.180 nan 0.000 0.545 38 D N 0.539 121.084 120.400 0.242 0.000 2.263 38 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 38 D C 1.471 177.802 176.300 0.051 0.000 0.971 38 D CA 1.961 56.050 54.000 0.149 0.000 0.867 38 D CB 0.067 40.950 40.800 0.139 0.000 0.929 38 D HN 0.272 nan 8.370 nan 0.000 0.492 39 E N -0.594 119.618 120.200 0.021 0.000 3.157 39 E HA 0.362 4.711 4.350 -0.000 0.000 0.203 39 E C -0.510 176.051 176.600 -0.065 0.000 0.982 39 E CA -0.383 56.009 56.400 -0.014 0.000 1.217 39 E CB -0.055 29.651 29.700 0.010 0.000 1.123 39 E HN 0.123 nan 8.360 nan 0.000 0.457 40 L N -0.014 121.122 121.223 -0.145 0.000 2.365 40 L HA 0.746 5.086 4.340 -0.000 0.000 0.273 40 L C 0.236 176.954 176.870 -0.253 0.000 1.000 40 L CA -1.132 53.583 54.840 -0.209 0.000 0.819 40 L CB 1.753 43.640 42.059 -0.285 0.000 1.284 40 L HN 0.158 nan 8.230 nan 0.000 0.418 41 K N 2.563 122.829 120.400 -0.222 0.000 2.401 41 K HA 0.465 4.785 4.320 -0.000 0.000 0.278 41 K C 1.168 177.691 176.600 -0.128 0.000 1.018 41 K CA 0.303 56.475 56.287 -0.191 0.000 0.981 41 K CB -0.224 32.111 32.500 -0.275 0.000 0.933 41 K HN 1.015 nan 8.250 nan 0.000 0.477 42 G N 1.027 109.783 108.800 -0.074 0.000 2.505 42 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.220 42 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.220 42 G C 1.777 176.761 174.900 0.141 0.000 1.145 42 G CA 1.868 46.987 45.100 0.030 0.000 0.761 42 G HN 1.068 nan 8.290 nan 0.000 0.571 43 E N 0.533 120.797 120.200 0.107 0.000 2.031 43 E HA -0.199 4.150 4.350 -0.000 0.000 0.193 43 E C 2.102 178.850 176.600 0.246 0.000 0.994 43 E CA 1.474 57.969 56.400 0.159 0.000 0.800 43 E CB -1.183 28.584 29.700 0.112 0.000 0.752 43 E HN 0.786 nan 8.360 nan 0.000 0.447 44 H N -0.366 118.716 119.070 0.020 0.000 2.319 44 H HA -0.104 4.453 4.556 0.000 0.000 0.297 44 H C 2.702 178.022 175.328 -0.013 0.000 1.097 44 H CA 1.520 57.570 56.048 0.004 0.000 1.285 44 H CB 0.144 29.883 29.762 -0.039 0.000 1.368 44 H HN 0.262 nan 8.280 nan 0.000 0.495 45 R N -0.128 120.375 120.500 0.006 0.000 2.083 45 R HA -0.204 4.135 4.340 -0.000 0.000 0.237 45 R C 2.286 178.613 176.300 0.045 0.000 1.137 45 R CA 1.751 57.712 56.100 -0.232 0.000 0.951 45 R CB -0.476 29.360 30.300 -0.772 0.000 0.851 45 R HN 0.360 nan 8.270 nan 0.000 0.434 46 Y N 0.861 121.216 120.300 0.092 0.000 2.097 46 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 46 Y C 2.013 177.955 175.900 0.071 0.000 1.152 46 Y CA 1.722 59.922 58.100 0.166 0.000 1.136 46 Y CB -0.335 38.275 38.460 0.249 0.000 0.975 46 Y HN -0.196 nan 8.280 nan 0.000 0.498 47 V N -0.916 119.193 119.914 0.326 0.000 2.407 47 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 47 V C 2.274 178.403 176.094 0.058 0.000 1.055 47 V CA 1.662 64.079 62.300 0.196 0.000 1.049 47 V CB -1.014 30.886 31.823 0.128 0.000 0.662 47 V HN 0.334 nan 8.190 nan 0.000 0.455 48 V N -0.104 119.839 119.914 0.048 0.000 3.186 48 V HA -0.152 3.967 4.120 -0.000 0.000 0.270 48 V C 2.033 178.125 176.094 -0.005 0.000 1.149 48 V CA 1.331 63.656 62.300 0.040 0.000 1.160 48 V CB -0.557 31.321 31.823 0.092 0.000 0.758 48 V HN 0.474 nan 8.190 nan 0.000 0.516 49 L N -0.840 120.332 121.223 -0.086 0.000 2.249 49 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 49 L C 2.394 179.148 176.870 -0.194 0.000 1.090 49 L CA 1.185 55.911 54.840 -0.190 0.000 0.802 49 L CB -0.461 41.390 42.059 -0.347 0.000 0.947 49 L HN 0.322 nan 8.230 nan 0.000 0.453 50 T N 0.006 114.468 114.554 -0.153 0.000 3.014 50 T HA 0.042 4.392 4.350 -0.000 0.000 0.263 50 T C 1.958 176.697 174.700 0.065 0.000 1.078 50 T CA 0.649 62.701 62.100 -0.079 0.000 1.135 50 T CB 0.196 69.082 68.868 0.030 0.000 0.895 50 T HN 0.129 nan 8.240 nan 0.000 0.480 51 L N 0.204 121.455 121.223 0.046 0.000 2.102 51 L HA 0.251 4.590 4.340 -0.000 0.000 0.202 51 L C 1.010 177.911 176.870 0.052 0.000 1.076 51 L CA 0.358 55.239 54.840 0.068 0.000 0.761 51 L CB -0.520 41.567 42.059 0.047 0.000 0.921 51 L HN 0.196 nan 8.230 nan 0.000 0.444 52 L N 0.514 121.749 121.223 0.019 0.000 2.498 52 L HA -0.022 4.318 4.340 -0.000 0.000 0.293 52 L C -1.799 175.079 176.870 0.014 0.000 1.271 52 L CA -1.379 53.465 54.840 0.006 0.000 0.831 52 L CB -0.661 41.386 42.059 -0.020 0.000 1.091 52 L HN -0.090 nan 8.230 nan 0.000 0.535 53 P HA -0.051 nan 4.420 nan 0.000 0.267 53 P C 0.460 177.757 177.300 -0.005 0.000 1.195 53 P CA 0.445 63.548 63.100 0.005 0.000 0.773 53 P CB 0.449 32.140 31.700 -0.015 0.000 0.837 54 K N 1.935 122.341 120.400 0.011 0.000 2.020 54 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 54 K C 2.134 178.710 176.600 -0.041 0.000 1.050 54 K CA 2.483 58.769 56.287 -0.003 0.000 0.929 54 K CB -1.792 30.721 32.500 0.021 0.000 0.714 54 K HN 0.567 nan 8.250 nan 0.000 0.443 55 A N 0.983 123.779 122.820 -0.041 0.000 1.930 55 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 55 A C 2.373 179.906 177.584 -0.086 0.000 1.175 55 A CA 1.922 53.923 52.037 -0.060 0.000 0.627 55 A CB -0.205 18.764 19.000 -0.052 0.000 0.815 55 A HN 0.599 nan 8.150 nan 0.000 0.443 56 K N -0.451 119.898 120.400 -0.085 0.000 2.116 56 K HA 0.084 4.404 4.320 -0.000 0.000 0.203 56 K C 2.229 178.759 176.600 -0.116 0.000 1.052 56 K CA 0.833 57.057 56.287 -0.105 0.000 0.952 56 K CB -0.228 32.218 32.500 -0.089 0.000 0.729 56 K HN 0.413 nan 8.250 nan 0.000 0.446 57 A N 1.382 124.140 122.820 -0.103 0.000 1.972 57 A HA -0.097 4.222 4.320 -0.000 0.000 0.219 57 A C 2.254 179.738 177.584 -0.166 0.000 1.169 57 A CA 1.826 53.784 52.037 -0.132 0.000 0.635 57 A CB -0.437 18.490 19.000 -0.123 0.000 0.810 57 A HN 0.323 nan 8.150 nan 0.000 0.446 58 A N -0.567 122.165 122.820 -0.147 0.000 1.975 58 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 58 A C 1.898 179.360 177.584 -0.203 0.000 1.170 58 A CA 1.585 53.529 52.037 -0.154 0.000 0.656 58 A CB -0.279 18.654 19.000 -0.112 0.000 0.821 58 A HN 0.513 nan 8.150 nan 0.000 0.449 59 E N -0.094 119.978 120.200 -0.213 0.000 2.152 59 E HA -0.079 4.270 4.350 -0.000 0.000 0.192 59 E C 1.684 178.015 176.600 -0.449 0.000 0.983 59 E CA 1.315 57.533 56.400 -0.304 0.000 0.818 59 E CB -0.191 29.390 29.700 -0.198 0.000 0.758 59 E HN 0.238 nan 8.360 nan 0.000 0.467 60 V N 0.501 120.217 119.914 -0.330 0.000 2.255 60 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 60 V C 2.237 178.061 176.094 -0.450 0.000 1.038 60 V CA 1.540 63.613 62.300 -0.378 0.000 1.008 60 V CB -0.508 31.110 31.823 -0.341 0.000 0.645 60 V HN 0.341 nan 8.190 nan 0.000 0.449 61 L N -0.016 120.980 121.223 -0.377 0.000 2.651 61 L HA -0.079 4.261 4.340 -0.000 0.000 0.236 61 L C 2.253 178.981 176.870 -0.237 0.000 1.173 61 L CA 1.790 56.451 54.840 -0.299 0.000 0.843 61 L CB -0.418 41.514 42.059 -0.213 0.000 0.964 61 L HN 0.322 nan 8.230 nan 0.000 0.454 62 S N -1.490 114.018 115.700 -0.321 0.000 2.441 62 S HA -0.009 4.460 4.470 -0.000 0.000 0.224 62 S C 1.258 175.750 174.600 -0.180 0.000 1.043 62 S CA 0.348 58.377 58.200 -0.285 0.000 0.948 62 S CB -0.249 62.708 63.200 -0.405 0.000 0.810 62 S HN 0.756 nan 8.310 nan 0.000 0.504 63 H N 0.646 119.643 119.070 -0.122 0.000 2.503 63 H HA 0.438 4.994 4.556 -0.001 0.000 0.296 63 H C -0.413 174.828 175.328 -0.145 0.000 1.097 63 H CA -0.531 55.454 56.048 -0.104 0.000 1.055 63 H CB 0.205 29.917 29.762 -0.083 0.000 1.580 63 H HN 0.222 nan 8.280 nan 0.000 0.546 64 L N 0.394 121.560 121.223 -0.096 0.000 2.375 64 L HA 0.254 4.594 4.340 -0.000 0.000 0.268 64 L C 0.766 177.631 176.870 -0.008 0.000 1.058 64 L CA -0.886 53.882 54.840 -0.121 0.000 0.803 64 L CB 1.591 43.522 42.059 -0.213 0.000 1.212 64 L HN 0.170 nan 8.230 nan 0.000 0.451 65 S N 1.477 117.199 115.700 0.036 0.000 2.546 65 S HA 0.068 4.538 4.470 -0.000 0.000 0.290 65 S C -1.527 173.109 174.600 0.061 0.000 1.290 65 S CA -0.932 57.304 58.200 0.060 0.000 1.069 65 S CB 0.714 63.967 63.200 0.089 0.000 0.846 65 S HN 0.366 nan 8.310 nan 0.000 0.495 66 P HA -0.145 nan 4.420 nan 0.000 0.219 66 P C 1.205 178.538 177.300 0.055 0.000 1.145 66 P CA 1.064 64.191 63.100 0.045 0.000 0.813 66 P CB 0.148 31.869 31.700 0.034 0.000 0.771 67 E N -0.370 119.868 120.200 0.063 0.000 2.072 67 E HA -0.146 4.203 4.350 -0.000 0.000 0.190 67 E C 1.863 178.510 176.600 0.078 0.000 0.982 67 E CA 1.098 57.536 56.400 0.064 0.000 0.803 67 E CB -0.199 29.538 29.700 0.061 0.000 0.755 67 E HN 0.460 nan 8.360 nan 0.000 0.453 68 E N 0.752 121.023 120.200 0.120 0.000 2.107 68 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 68 E C 2.208 178.943 176.600 0.224 0.000 0.982 68 E CA 0.592 57.104 56.400 0.187 0.000 0.809 68 E CB -0.076 29.825 29.700 0.334 0.000 0.756 68 E HN 0.240 nan 8.360 nan 0.000 0.459 69 Q N 0.686 120.581 119.800 0.158 0.000 2.014 69 Q HA -0.196 4.144 4.340 -0.000 0.000 0.207 69 Q C 2.349 178.424 176.000 0.125 0.000 0.993 69 Q CA 1.619 57.499 55.803 0.129 0.000 0.850 69 Q CB -0.334 28.439 28.738 0.059 0.000 0.916 69 Q HN 0.301 nan 8.270 nan 0.000 0.417 70 A N 0.631 123.506 122.820 0.092 0.000 2.178 70 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 70 A C 1.987 179.630 177.584 0.099 0.000 1.157 70 A CA 1.774 53.866 52.037 0.091 0.000 0.689 70 A CB -0.726 18.319 19.000 0.075 0.000 0.787 70 A HN 0.534 nan 8.150 nan 0.000 0.465 71 E N -1.280 118.956 120.200 0.060 0.000 2.086 71 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 71 E C 1.756 178.322 176.600 -0.057 0.000 0.975 71 E CA 1.134 57.509 56.400 -0.041 0.000 0.813 71 E CB -0.841 28.759 29.700 -0.168 0.000 0.768 71 E HN 0.835 nan 8.360 nan 0.000 0.457 72 Y N 0.086 120.459 120.300 0.121 0.000 2.475 72 Y HA 0.210 4.761 4.550 0.002 0.000 0.289 72 Y C 2.292 178.228 175.900 0.060 0.000 1.121 72 Y CA 0.520 58.677 58.100 0.095 0.000 1.257 72 Y CB 0.201 38.694 38.460 0.055 0.000 1.026 72 Y HN 0.099 nan 8.280 nan 0.000 0.555 73 L N 0.061 121.405 121.223 0.201 0.000 2.362 73 L HA -0.173 4.167 4.340 -0.000 0.000 0.219 73 L C 2.514 179.553 176.870 0.281 0.000 1.134 73 L CA 1.384 56.314 54.840 0.150 0.000 0.807 73 L CB -0.523 41.584 42.059 0.079 0.000 0.927 73 L HN 0.235 nan 8.230 nan 0.000 0.447 74 K N -0.052 120.536 120.400 0.313 0.000 2.128 74 K HA -0.036 4.284 4.320 -0.000 0.000 0.202 74 K C 2.095 178.791 176.600 0.160 0.000 1.050 74 K CA 1.276 57.767 56.287 0.340 0.000 0.966 74 K CB -1.220 31.400 32.500 0.199 0.000 0.759 74 K HN 0.457 nan 8.250 nan 0.000 0.454 75 T N -0.109 114.558 114.554 0.189 0.000 2.735 75 T HA 0.121 4.471 4.350 -0.000 0.000 0.256 75 T C 1.128 176.027 174.700 0.332 0.000 1.042 75 T CA 0.017 62.280 62.100 0.271 0.000 1.147 75 T CB -0.425 68.704 68.868 0.434 0.000 0.865 75 T HN 0.120 nan 8.240 nan 0.000 0.421 76 L N 3.858 125.213 121.223 0.221 0.000 2.605 76 L HA 0.124 4.463 4.340 -0.000 0.000 0.296 76 L C -1.758 175.120 176.870 0.012 0.000 1.255 76 L CA -0.577 54.255 54.840 -0.013 0.000 0.879 76 L CB -0.611 41.333 42.059 -0.191 0.000 1.124 76 L HN 0.290 nan 8.230 nan 0.000 0.507 77 P HA 0.093 nan 4.420 nan 0.000 0.269 77 P C -2.068 175.152 177.300 -0.133 0.000 1.215 77 P CA -1.297 61.772 63.100 -0.051 0.000 0.780 77 P CB -0.085 31.583 31.700 -0.054 0.000 0.898 78 P HA -0.148 nan 4.420 nan 0.000 0.221 78 P C 1.567 178.906 177.300 0.065 0.000 1.145 78 P CA 1.723 64.855 63.100 0.054 0.000 0.795 78 P CB -0.424 31.342 31.700 0.111 0.000 0.775 79 W N -0.085 121.236 121.300 0.034 0.000 2.481 79 W HA 0.148 4.806 4.660 -0.004 0.000 0.293 79 W C 1.523 178.048 176.519 0.010 0.000 1.201 79 W CA 0.051 57.407 57.345 0.019 0.000 1.328 79 W CB -1.382 28.089 29.460 0.017 0.000 1.112 79 W HN -0.216 nan 8.180 nan 0.000 0.546 80 R N 1.310 121.066 120.500 -1.241 0.000 2.236 80 R HA -0.025 4.315 4.340 -0.000 0.000 0.208 80 R C 2.162 178.170 176.300 -0.486 0.000 1.036 80 R CA 0.409 55.791 56.100 -1.197 0.000 1.001 80 R CB -0.863 28.535 30.300 -1.504 0.000 0.896 80 R HN 0.236 nan 8.270 nan 0.000 0.464 81 L N 0.741 121.770 121.223 -0.322 0.000 2.007 81 L HA -0.139 4.200 4.340 -0.000 0.000 0.205 81 L C 2.667 179.480 176.870 -0.096 0.000 1.073 81 L CA 2.433 57.181 54.840 -0.154 0.000 0.744 81 L CB -1.310 40.708 42.059 -0.069 0.000 0.898 81 L HN 0.126 nan 8.230 nan 0.000 0.435 82 R N 0.050 120.522 120.500 -0.047 0.000 2.159 82 R HA -0.216 4.123 4.340 -0.000 0.000 0.237 82 R C 1.996 178.292 176.300 -0.008 0.000 1.131 82 R CA 1.755 57.849 56.100 -0.010 0.000 0.982 82 R CB -1.247 29.074 30.300 0.035 0.000 0.868 82 R HN 0.546 nan 8.270 nan 0.000 0.453 83 E N 0.412 120.599 120.200 -0.021 0.000 2.017 83 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 83 E C 2.029 178.600 176.600 -0.049 0.000 0.997 83 E CA 1.695 58.090 56.400 -0.010 0.000 0.804 83 E CB -0.044 29.632 29.700 -0.041 0.000 0.757 83 E HN 0.481 nan 8.360 nan 0.000 0.448 84 I N 0.838 121.351 120.570 -0.095 0.000 2.208 84 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 84 I C 2.364 178.441 176.117 -0.067 0.000 1.097 84 I CA 1.233 62.477 61.300 -0.094 0.000 1.363 84 I CB -1.146 36.783 38.000 -0.118 0.000 1.051 84 I HN 0.263 nan 8.210 nan 0.000 0.413 85 L N 0.628 121.816 121.223 -0.058 0.000 2.265 85 L HA -0.198 4.141 4.340 -0.000 0.000 0.215 85 L C 2.894 179.745 176.870 -0.032 0.000 1.117 85 L CA 1.626 56.440 54.840 -0.044 0.000 0.782 85 L CB -1.028 41.003 42.059 -0.046 0.000 0.914 85 L HN 0.394 nan 8.230 nan 0.000 0.441 86 E N 0.367 120.551 120.200 -0.027 0.000 2.057 86 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 86 E C 1.885 178.473 176.600 -0.021 0.000 0.969 86 E CA 0.732 57.121 56.400 -0.018 0.000 0.812 86 E CB -0.296 29.400 29.700 -0.007 0.000 0.777 86 E HN 0.354 nan 8.360 nan 0.000 0.455 87 E N -0.936 119.248 120.200 -0.027 0.000 2.512 87 E HA 0.158 4.508 4.350 -0.000 0.000 0.195 87 E C -0.243 176.333 176.600 -0.041 0.000 1.083 87 E CA -0.194 56.187 56.400 -0.032 0.000 0.873 87 E CB -0.319 29.360 29.700 -0.035 0.000 0.897 87 E HN 0.362 nan 8.360 nan 0.000 0.514 88 L N 0.251 121.450 121.223 -0.039 0.000 2.325 88 L HA 0.347 4.687 4.340 -0.000 0.000 0.279 88 L C -0.172 176.686 176.870 -0.021 0.000 1.054 88 L CA -0.233 54.582 54.840 -0.041 0.000 0.804 88 L CB 1.617 43.648 42.059 -0.046 0.000 1.200 88 L HN -0.152 nan 8.230 nan 0.000 0.436 89 S N 3.749 119.441 115.700 -0.014 0.000 2.579 89 S HA 0.183 4.653 4.470 -0.000 0.000 0.275 89 S C 1.310 175.918 174.600 0.013 0.000 1.345 89 S CA -0.496 57.707 58.200 0.005 0.000 1.031 89 S CB 0.724 63.934 63.200 0.017 0.000 0.892 89 S HN 0.618 nan 8.310 nan 0.000 0.529 90 L N 1.409 122.647 121.223 0.025 0.000 2.093 90 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 90 L C 2.376 179.271 176.870 0.042 0.000 1.085 90 L CA 1.246 56.106 54.840 0.033 0.000 0.755 90 L CB -0.434 41.651 42.059 0.042 0.000 0.904 90 L HN 0.759 nan 8.230 nan 0.000 0.435 91 D N -1.111 119.315 120.400 0.044 0.000 2.178 91 D HA -0.203 4.436 4.640 -0.000 0.000 0.202 91 D C 1.465 177.788 176.300 0.039 0.000 0.974 91 D CA 1.233 55.260 54.000 0.044 0.000 0.841 91 D CB -0.391 40.433 40.800 0.040 0.000 0.953 91 D HN 0.220 nan 8.370 nan 0.000 0.478 92 D N 0.007 120.426 120.400 0.032 0.000 2.123 92 D HA -0.059 4.581 4.640 -0.000 0.000 0.200 92 D C 2.048 178.358 176.300 0.017 0.000 0.976 92 D CA 0.394 54.409 54.000 0.024 0.000 0.831 92 D CB -0.370 40.437 40.800 0.012 0.000 0.974 92 D HN 0.171 nan 8.370 nan 0.000 0.469 93 L N 0.734 121.966 121.223 0.015 0.000 2.046 93 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 93 L C 2.015 178.906 176.870 0.034 0.000 1.077 93 L CA 1.674 56.522 54.840 0.014 0.000 0.747 93 L CB -0.697 41.367 42.059 0.010 0.000 0.896 93 L HN -0.003 nan 8.230 nan 0.000 0.432 94 A N -0.609 122.239 122.820 0.047 0.000 1.883 94 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 94 A C 1.994 179.611 177.584 0.055 0.000 1.186 94 A CA 1.938 54.014 52.037 0.064 0.000 0.624 94 A CB -0.984 18.059 19.000 0.071 0.000 0.822 94 A HN 0.528 nan 8.150 nan 0.000 0.444 95 D N 0.104 120.529 120.400 0.041 0.000 2.133 95 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 95 D C 2.168 178.486 176.300 0.030 0.000 0.997 95 D CA 1.740 55.760 54.000 0.032 0.000 0.840 95 D CB -0.445 40.373 40.800 0.030 0.000 0.947 95 D HN 0.455 nan 8.370 nan 0.000 0.452 96 A N 0.235 123.073 122.820 0.030 0.000 1.897 96 A HA -0.050 4.269 4.320 -0.000 0.000 0.215 96 A C 2.391 180.004 177.584 0.048 0.000 1.181 96 A CA 0.707 52.761 52.037 0.028 0.000 0.620 96 A CB -0.673 18.333 19.000 0.010 0.000 0.821 96 A HN 0.189 nan 8.150 nan 0.000 0.443 97 L N -0.968 120.300 121.223 0.074 0.000 2.056 97 L HA -0.225 4.114 4.340 -0.000 0.000 0.207 97 L C 2.861 179.815 176.870 0.139 0.000 1.078 97 L CA 1.464 56.401 54.840 0.161 0.000 0.749 97 L CB -0.527 41.669 42.059 0.227 0.000 0.901 97 L HN 0.468 nan 8.230 nan 0.000 0.433 98 Q N -0.498 119.334 119.800 0.052 0.000 2.181 98 Q HA -0.228 4.111 4.340 -0.000 0.000 0.205 98 Q C 2.342 178.309 176.000 -0.055 0.000 0.980 98 Q CA 1.558 57.331 55.803 -0.051 0.000 0.862 98 Q CB -0.181 28.543 28.738 -0.024 0.000 0.905 98 Q HN 0.578 nan 8.270 nan 0.000 0.429 99 A N -0.030 122.789 122.820 -0.002 0.000 1.858 99 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 99 A C 2.265 179.855 177.584 0.009 0.000 1.190 99 A CA 1.517 53.558 52.037 0.007 0.000 0.617 99 A CB -0.838 18.179 19.000 0.028 0.000 0.827 99 A HN 0.230 nan 8.150 nan 0.000 0.443 100 V N 0.094 120.032 119.914 0.040 0.000 2.287 100 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 100 V C 3.298 179.409 176.094 0.027 0.000 1.053 100 V CA 2.768 65.110 62.300 0.069 0.000 1.027 100 V CB -1.656 30.223 31.823 0.094 0.000 0.646 100 V HN 0.782 nan 8.190 nan 0.000 0.447 101 R N 0.531 120.961 120.500 -0.116 0.000 2.122 101 R HA -0.310 4.030 4.340 -0.000 0.000 0.236 101 R C 2.470 178.629 176.300 -0.236 0.000 1.129 101 R CA 3.508 59.314 56.100 -0.490 0.000 0.925 101 R CB -1.662 28.039 30.300 -0.999 0.000 0.850 101 R HN 0.615 nan 8.270 nan 0.000 0.431 102 K N 0.996 121.297 120.400 -0.165 0.000 2.034 102 K HA -0.218 4.101 4.320 -0.000 0.000 0.214 102 K C 2.084 178.661 176.600 -0.039 0.000 1.051 102 K CA 2.226 58.459 56.287 -0.089 0.000 0.931 102 K CB -0.771 31.695 32.500 -0.057 0.000 0.715 102 K HN 0.848 nan 8.250 nan 0.000 0.446 103 E N 0.125 120.320 120.200 -0.009 0.000 2.007 103 E HA -0.100 4.249 4.350 -0.000 0.000 0.204 103 E C -0.040 176.588 176.600 0.045 0.000 0.933 103 E CA 0.486 56.901 56.400 0.025 0.000 0.924 103 E CB -0.022 29.705 29.700 0.045 0.000 0.868 103 E HN 0.494 nan 8.360 nan 0.000 0.535 104 D N 0.380 120.834 120.400 0.090 0.000 2.468 104 D HA 0.103 4.743 4.640 -0.000 0.000 0.218 104 D C -1.996 174.401 176.300 0.163 0.000 1.155 104 D CA -2.045 52.033 54.000 0.130 0.000 0.924 104 D CB 1.230 42.143 40.800 0.189 0.000 1.029 104 D HN -0.005 nan 8.370 nan 0.000 0.515 105 P HA -0.055 nan 4.420 nan 0.000 0.217 105 P C 1.111 178.550 177.300 0.232 0.000 1.151 105 P CA 0.933 64.116 63.100 0.139 0.000 0.828 105 P CB 0.285 32.020 31.700 0.058 0.000 0.788 106 A N -0.491 122.436 122.820 0.178 0.000 1.849 106 A HA -0.267 4.052 4.320 -0.000 0.000 0.217 106 A C 2.316 180.032 177.584 0.221 0.000 1.202 106 A CA 1.797 53.936 52.037 0.170 0.000 0.629 106 A CB -2.092 16.986 19.000 0.129 0.000 0.834 106 A HN 0.236 nan 8.150 nan 0.000 0.447 107 Y N -1.003 119.350 120.300 0.089 0.000 2.384 107 Y HA -0.234 4.315 4.550 -0.001 0.000 0.289 107 Y C 1.954 177.906 175.900 0.086 0.000 1.152 107 Y CA 1.409 59.550 58.100 0.069 0.000 1.258 107 Y CB -0.203 38.295 38.460 0.063 0.000 0.979 107 Y HN 0.433 nan 8.280 nan 0.000 0.549 108 F N 1.499 121.415 119.950 -0.056 0.000 2.075 108 F HA -0.248 4.279 4.527 -0.001 0.000 0.297 108 F C 2.418 178.149 175.800 -0.115 0.000 1.113 108 F CA 2.146 60.062 58.000 -0.140 0.000 1.218 108 F CB -0.855 38.110 39.000 -0.059 0.000 0.984 108 F HN 0.130 nan 8.300 nan 0.000 0.472 109 Q N 0.855 120.452 119.800 -0.339 0.000 2.124 109 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 109 Q C 2.289 178.114 176.000 -0.292 0.000 0.977 109 Q CA 1.819 57.372 55.803 -0.417 0.000 0.850 109 Q CB -0.384 28.304 28.738 -0.084 0.000 0.901 109 Q HN 0.427 nan 8.270 nan 0.000 0.429 110 R N -0.387 120.028 120.500 -0.142 0.000 2.066 110 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 110 R C 2.163 178.372 176.300 -0.152 0.000 1.131 110 R CA 1.155 57.219 56.100 -0.060 0.000 0.955 110 R CB -0.684 29.691 30.300 0.126 0.000 0.851 110 R HN 0.327 nan 8.270 nan 0.000 0.432 111 L N 1.725 122.744 121.223 -0.339 0.000 2.081 111 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 111 L C 1.899 178.591 176.870 -0.296 0.000 1.080 111 L CA 1.842 56.438 54.840 -0.407 0.000 0.754 111 L CB -0.552 41.131 42.059 -0.626 0.000 0.893 111 L HN 0.118 nan 8.230 nan 0.000 0.433 112 K N -0.759 119.403 120.400 -0.396 0.000 2.525 112 K HA -0.099 4.221 4.320 -0.000 0.000 0.192 112 K C 1.200 177.673 176.600 -0.211 0.000 1.029 112 K CA 0.399 56.477 56.287 -0.347 0.000 1.029 112 K CB 0.206 32.362 32.500 -0.574 0.000 0.814 112 K HN 0.269 nan 8.250 nan 0.000 0.503 113 D N 0.518 120.818 120.400 -0.167 0.000 2.249 113 D HA -0.048 4.591 4.640 -0.000 0.000 0.205 113 D C 1.573 177.836 176.300 -0.062 0.000 0.962 113 D CA 0.604 54.547 54.000 -0.096 0.000 0.860 113 D CB 0.226 40.987 40.800 -0.065 0.000 0.955 113 D HN 0.225 nan 8.370 nan 0.000 0.505 114 L N 0.333 121.519 121.223 -0.062 0.000 2.201 114 L HA -0.006 4.334 4.340 -0.000 0.000 0.212 114 L C 1.167 178.019 176.870 -0.030 0.000 1.105 114 L CA 0.424 55.245 54.840 -0.032 0.000 0.775 114 L CB -0.492 41.551 42.059 -0.026 0.000 0.913 114 L HN -0.025 nan 8.230 nan 0.000 0.440 115 L N 0.429 121.624 121.223 -0.047 0.000 2.476 115 L HA 0.067 4.407 4.340 -0.000 0.000 0.255 115 L C 0.454 177.308 176.870 -0.026 0.000 1.218 115 L CA -0.349 54.470 54.840 -0.036 0.000 0.819 115 L CB 0.114 42.147 42.059 -0.044 0.000 1.119 115 L HN 0.185 nan 8.230 nan 0.000 0.485 116 D N -0.393 119.996 120.400 -0.018 0.000 2.388 116 D HA 0.212 4.851 4.640 -0.000 0.000 0.254 116 D C -2.208 174.084 176.300 -0.015 0.000 1.111 116 D CA -1.735 52.257 54.000 -0.014 0.000 0.993 116 D CB 1.159 41.953 40.800 -0.010 0.000 1.118 116 D HN 0.138 nan 8.370 nan 0.000 0.502 117 P HA -0.227 nan 4.420 nan 0.000 0.214 117 P C 1.689 178.985 177.300 -0.006 0.000 1.169 117 P CA 3.012 66.106 63.100 -0.010 0.000 0.908 117 P CB -0.164 31.532 31.700 -0.007 0.000 0.791 118 R N -0.614 119.883 120.500 -0.005 0.000 2.096 118 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 118 R C 2.313 178.614 176.300 0.002 0.000 1.127 118 R CA 2.452 58.551 56.100 -0.001 0.000 0.968 118 R CB -2.400 27.898 30.300 -0.004 0.000 0.861 118 R HN 0.289 nan 8.270 nan 0.000 0.440 119 T N -0.243 114.310 114.554 -0.002 0.000 2.732 119 T HA 0.005 4.355 4.350 -0.000 0.000 0.261 119 T C 2.700 177.401 174.700 0.002 0.000 1.040 119 T CA 2.039 64.139 62.100 0.000 0.000 1.145 119 T CB -0.391 68.474 68.868 -0.006 0.000 0.866 119 T HN 0.708 nan 8.240 nan 0.000 0.427 120 R N 1.399 121.893 120.500 -0.009 0.000 2.083 120 R HA 0.184 4.523 4.340 -0.000 0.000 0.237 120 R C 2.550 178.851 176.300 0.002 0.000 1.137 120 R CA 1.977 58.068 56.100 -0.014 0.000 0.951 120 R CB -1.594 28.687 30.300 -0.032 0.000 0.851 120 R HN 0.509 nan 8.270 nan 0.000 0.434 121 A N 0.076 122.899 122.820 0.004 0.000 2.216 121 A HA 0.012 4.332 4.320 -0.000 0.000 0.214 121 A C 2.034 179.633 177.584 0.026 0.000 1.160 121 A CA 1.638 53.682 52.037 0.012 0.000 0.725 121 A CB -0.161 18.845 19.000 0.009 0.000 0.784 121 A HN 0.640 nan 8.150 nan 0.000 0.472 122 E N -0.787 119.431 120.200 0.030 0.000 2.099 122 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 122 E C 1.874 178.510 176.600 0.061 0.000 0.962 122 E CA 1.034 57.462 56.400 0.047 0.000 0.826 122 E CB -0.057 29.667 29.700 0.040 0.000 0.788 122 E HN 0.205 nan 8.360 nan 0.000 0.461 123 V N 1.364 121.308 119.914 0.049 0.000 2.343 123 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 123 V C 1.996 178.132 176.094 0.071 0.000 1.051 123 V CA 2.093 64.429 62.300 0.060 0.000 1.036 123 V CB -0.579 31.271 31.823 0.045 0.000 0.654 123 V HN 0.276 nan 8.190 nan 0.000 0.451 124 E N 0.514 120.747 120.200 0.055 0.000 2.130 124 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 124 E C 2.277 178.898 176.600 0.035 0.000 0.998 124 E CA 1.494 57.925 56.400 0.052 0.000 0.806 124 E CB -0.342 29.378 29.700 0.033 0.000 0.738 124 E HN 0.627 nan 8.360 nan 0.000 0.459 125 A N 0.675 123.520 122.820 0.042 0.000 2.015 125 A HA -0.095 4.224 4.320 -0.000 0.000 0.219 125 A C 2.095 179.730 177.584 0.084 0.000 1.163 125 A CA 0.763 52.817 52.037 0.027 0.000 0.646 125 A CB -0.313 18.735 19.000 0.079 0.000 0.806 125 A HN 0.125 nan 8.150 nan 0.000 0.448 126 L N -1.095 120.227 121.223 0.166 0.000 2.095 126 L HA -0.103 4.237 4.340 -0.000 0.000 0.204 126 L C 3.079 180.073 176.870 0.206 0.000 1.080 126 L CA 0.900 55.906 54.840 0.276 0.000 0.759 126 L CB -0.569 41.593 42.059 0.171 0.000 0.914 126 L HN 0.420 nan 8.230 nan 0.000 0.439 127 A N 0.332 123.211 122.820 0.099 0.000 1.940 127 A HA -0.225 4.094 4.320 -0.000 0.000 0.219 127 A C 2.178 179.763 177.584 0.001 0.000 1.176 127 A CA 1.481 53.552 52.037 0.056 0.000 0.631 127 A CB -0.444 18.589 19.000 0.055 0.000 0.814 127 A HN 0.257 nan 8.150 nan 0.000 0.446 128 R N -1.478 118.969 120.500 -0.089 0.000 2.377 128 R HA 0.039 4.379 4.340 -0.000 0.000 0.207 128 R C -0.588 175.551 176.300 -0.269 0.000 1.075 128 R CA 0.341 56.322 56.100 -0.200 0.000 1.035 128 R CB -0.628 29.497 30.300 -0.292 0.000 0.857 128 R HN 0.669 nan 8.270 nan 0.000 0.475 129 Y N 0.686 120.989 120.300 0.005 0.000 2.361 129 Y HA 0.182 4.732 4.550 -0.001 0.000 0.332 129 Y C 0.600 176.498 175.900 -0.002 0.000 1.101 129 Y CA -1.179 56.922 58.100 0.001 0.000 1.137 129 Y CB 0.975 39.437 38.460 0.003 0.000 1.207 129 Y HN -0.126 nan 8.280 nan 0.000 0.463 130 E N 2.979 123.282 120.200 0.172 0.000 2.415 130 E HA -0.055 4.295 4.350 -0.000 0.000 0.260 130 E C 0.561 177.206 176.600 0.074 0.000 1.016 130 E CA 0.227 56.679 56.400 0.087 0.000 0.924 130 E CB 0.675 30.413 29.700 0.063 0.000 0.961 130 E HN 0.814 nan 8.360 nan 0.000 0.459 131 E N 2.091 122.321 120.200 0.050 0.000 2.187 131 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 131 E C 0.376 176.991 176.600 0.025 0.000 1.004 131 E CA 1.298 57.719 56.400 0.036 0.000 0.813 131 E CB 0.127 29.840 29.700 0.021 0.000 0.736 131 E HN 0.409 nan 8.360 nan 0.000 0.468 132 D N 0.279 120.692 120.400 0.021 0.000 2.340 132 D HA 0.068 4.708 4.640 -0.000 0.000 0.220 132 D C 0.441 176.746 176.300 0.008 0.000 1.039 132 D CA 0.420 54.427 54.000 0.012 0.000 0.866 132 D CB 0.100 40.906 40.800 0.009 0.000 0.913 132 D HN 0.295 nan 8.370 nan 0.000 0.523 133 E N -0.260 119.949 120.200 0.014 0.000 2.469 133 E HA 0.604 4.953 4.350 -0.000 0.000 0.246 133 E C 0.935 177.518 176.600 -0.029 0.000 0.969 133 E CA -0.779 55.622 56.400 0.001 0.000 0.881 133 E CB 1.147 30.861 29.700 0.024 0.000 1.320 133 E HN -0.119 nan 8.360 nan 0.000 0.421 134 A N 0.536 123.318 122.820 -0.062 0.000 1.845 134 A HA -0.141 4.178 4.320 -0.000 0.000 0.215 134 A C 2.110 179.582 177.584 -0.187 0.000 1.195 134 A CA 2.159 54.130 52.037 -0.111 0.000 0.616 134 A CB -1.670 17.255 19.000 -0.125 0.000 0.832 134 A HN 0.732 nan 8.150 nan 0.000 0.443 135 G N -0.648 107.952 108.800 -0.334 0.000 2.545 135 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.222 135 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.222 135 G C 1.363 176.132 174.900 -0.219 0.000 1.126 135 G CA 1.332 46.012 45.100 -0.699 0.000 0.754 135 G HN 0.933 nan 8.290 nan 0.000 0.583 136 G N -0.446 108.338 108.800 -0.027 0.000 2.920 136 G HA2 0.291 4.251 3.960 -0.000 0.000 0.208 136 G HA3 0.291 4.251 3.960 -0.000 0.000 0.208 136 G C 1.272 176.176 174.900 0.007 0.000 1.159 136 G CA 0.087 45.213 45.100 0.043 0.000 0.784 136 G HN 0.450 nan 8.290 nan 0.000 0.535 137 L N -0.271 120.932 121.223 -0.033 0.000 2.878 137 L HA 0.383 4.723 4.340 -0.000 0.000 0.253 137 L C 1.264 178.119 176.870 -0.024 0.000 1.135 137 L CA -0.155 54.673 54.840 -0.019 0.000 0.943 137 L CB 0.156 42.202 42.059 -0.021 0.000 1.307 137 L HN 0.285 nan 8.230 nan 0.000 0.545 138 M N -1.001 118.562 119.600 -0.061 0.000 2.291 138 M HA 0.433 4.912 4.480 -0.000 0.000 0.324 138 M C -0.171 176.122 176.300 -0.012 0.000 1.148 138 M CA 0.180 55.444 55.300 -0.060 0.000 1.104 138 M CB 1.550 34.067 32.600 -0.139 0.000 1.483 138 M HN -0.191 nan 8.290 nan 0.000 0.467 139 T N 0.892 115.458 114.554 0.021 0.000 2.888 139 T HA 0.578 4.928 4.350 -0.000 0.000 0.284 139 T C -2.244 172.531 174.700 0.125 0.000 1.017 139 T CA -1.900 60.241 62.100 0.068 0.000 1.022 139 T CB 1.568 70.484 68.868 0.079 0.000 1.013 139 T HN 0.599 nan 8.240 nan 0.000 0.465 140 P HA 0.138 nan 4.420 nan 0.000 0.235 140 P C -0.084 177.382 177.300 0.276 0.000 1.177 140 P CA 0.308 63.568 63.100 0.267 0.000 0.785 140 P CB 0.054 31.853 31.700 0.164 0.000 0.885 141 E N 0.656 120.949 120.200 0.154 0.000 2.778 141 E HA -0.003 4.346 4.350 -0.000 0.000 0.318 141 E C -0.282 176.399 176.600 0.135 0.000 1.309 141 E CA -0.103 56.342 56.400 0.075 0.000 1.419 141 E CB -1.523 28.206 29.700 0.048 0.000 1.150 141 E HN 0.466 nan 8.360 nan 0.000 0.492 142 Y N -2.718 117.624 120.300 0.070 0.000 2.420 142 Y HA 0.574 5.123 4.550 -0.000 0.000 0.334 142 Y C -0.119 175.862 175.900 0.135 0.000 1.094 142 Y CA -1.887 56.282 58.100 0.115 0.000 1.126 142 Y CB 0.849 39.387 38.460 0.131 0.000 1.217 142 Y HN -0.207 nan 8.280 nan 0.000 0.462 143 V N 3.818 123.839 119.914 0.178 0.000 2.389 143 V HA 0.608 4.727 4.120 -0.000 0.000 0.264 143 V C 0.019 176.215 176.094 0.171 0.000 1.049 143 V CA -0.125 62.250 62.300 0.126 0.000 0.932 143 V CB -0.067 31.837 31.823 0.135 0.000 1.011 143 V HN 0.949 nan 8.190 nan 0.000 0.475 144 A N 5.672 128.531 122.820 0.064 0.000 2.353 144 A HA 0.824 5.144 4.320 -0.000 0.000 0.299 144 A C -0.505 176.984 177.584 -0.158 0.000 1.089 144 A CA -0.551 51.536 52.037 0.083 0.000 0.736 144 A CB 1.710 20.881 19.000 0.285 0.000 1.195 144 A HN 1.028 nan 8.150 nan 0.000 0.447 145 V N 0.316 120.070 119.914 -0.268 0.000 2.966 145 V HA 0.855 4.975 4.120 -0.000 0.000 0.317 145 V C 0.330 176.310 176.094 -0.191 0.000 1.070 145 V CA -0.965 61.074 62.300 -0.436 0.000 1.008 145 V CB 1.190 32.697 31.823 -0.528 0.000 1.070 145 V HN 1.003 nan 8.190 nan 0.000 0.457 146 R N 0.614 121.017 120.500 -0.162 0.000 2.652 146 R HA 0.318 4.658 4.340 -0.000 0.000 0.271 146 R C 1.328 177.586 176.300 -0.070 0.000 1.129 146 R CA 0.709 56.764 56.100 -0.076 0.000 1.200 146 R CB 0.193 30.467 30.300 -0.043 0.000 1.146 146 R HN 0.974 nan 8.270 nan 0.000 0.581 147 E N 0.166 120.341 120.200 -0.042 0.000 2.001 147 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 147 E C 0.380 176.959 176.600 -0.036 0.000 1.002 147 E CA 1.606 57.985 56.400 -0.035 0.000 0.819 147 E CB -0.354 29.332 29.700 -0.022 0.000 0.769 147 E HN 0.733 nan 8.360 nan 0.000 0.454 148 G N 0.435 109.219 108.800 -0.028 0.000 3.709 148 G HA2 0.260 4.220 3.960 -0.000 0.000 0.272 148 G HA3 0.260 4.220 3.960 -0.000 0.000 0.272 148 G C -0.020 174.867 174.900 -0.021 0.000 1.259 148 G CA -0.305 44.782 45.100 -0.021 0.000 1.512 148 G HN 0.042 nan 8.290 nan 0.000 0.625 149 M N 0.254 119.834 119.600 -0.033 0.000 2.116 149 M HA 0.476 4.955 4.480 -0.000 0.000 0.235 149 M C 1.039 177.326 176.300 -0.020 0.000 1.193 149 M CA -0.387 54.897 55.300 -0.027 0.000 0.959 149 M CB 1.041 33.613 32.600 -0.047 0.000 1.313 149 M HN 0.198 nan 8.290 nan 0.000 0.530 150 T N -2.777 111.769 114.554 -0.012 0.000 2.910 150 T HA 0.432 4.782 4.350 -0.000 0.000 0.287 150 T C 0.778 175.474 174.700 -0.005 0.000 1.050 150 T CA -1.033 61.063 62.100 -0.007 0.000 1.011 150 T CB 1.017 69.885 68.868 0.001 0.000 1.195 150 T HN 0.300 nan 8.240 nan 0.000 0.540 151 V N 1.063 120.976 119.914 -0.002 0.000 2.231 151 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 151 V C 2.850 178.951 176.094 0.011 0.000 1.054 151 V CA 2.518 64.820 62.300 0.002 0.000 1.015 151 V CB -0.923 30.903 31.823 0.005 0.000 0.638 151 V HN 1.074 nan 8.190 nan 0.000 0.444 152 E N -0.184 120.024 120.200 0.013 0.000 2.110 152 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 152 E C 2.131 178.748 176.600 0.029 0.000 0.988 152 E CA 1.627 58.038 56.400 0.019 0.000 0.804 152 E CB -0.044 29.666 29.700 0.015 0.000 0.745 152 E HN 0.746 nan 8.360 nan 0.000 0.458 153 E N 0.049 120.267 120.200 0.029 0.000 2.047 153 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 153 E C 2.290 178.935 176.600 0.075 0.000 0.987 153 E CA 1.243 57.672 56.400 0.048 0.000 0.799 153 E CB 0.048 29.768 29.700 0.035 0.000 0.752 153 E HN 0.144 nan 8.360 nan 0.000 0.449 154 V N 1.830 121.767 119.914 0.038 0.000 2.392 154 V HA -0.260 3.859 4.120 -0.000 0.000 0.249 154 V C 2.337 178.488 176.094 0.094 0.000 1.059 154 V CA 1.452 63.770 62.300 0.030 0.000 1.051 154 V CB -0.477 31.328 31.823 -0.029 0.000 0.658 154 V HN 0.236 nan 8.190 nan 0.000 0.455 155 L N -0.717 120.546 121.223 0.066 0.000 1.994 155 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 155 L C 2.798 179.714 176.870 0.078 0.000 1.071 155 L CA 1.710 56.588 54.840 0.063 0.000 0.745 155 L CB -0.607 41.475 42.059 0.038 0.000 0.892 155 L HN 0.183 nan 8.230 nan 0.000 0.431 156 R N -0.880 119.665 120.500 0.075 0.000 2.105 156 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 156 R C 2.260 178.605 176.300 0.074 0.000 1.135 156 R CA 1.752 57.886 56.100 0.057 0.000 0.967 156 R CB -0.497 29.831 30.300 0.047 0.000 0.861 156 R HN 0.257 nan 8.270 nan 0.000 0.442 157 F N 1.468 121.407 119.950 -0.019 0.000 2.031 157 F HA -0.205 4.322 4.527 0.001 0.000 0.295 157 F C 2.142 177.923 175.800 -0.030 0.000 1.133 157 F CA 1.386 59.372 58.000 -0.023 0.000 1.188 157 F CB -0.322 38.666 39.000 -0.021 0.000 0.974 157 F HN -0.114 nan 8.300 nan 0.000 0.473 158 L N 0.332 121.767 121.223 0.353 0.000 2.011 158 L HA -0.369 3.971 4.340 -0.000 0.000 0.225 158 L C 2.665 179.552 176.870 0.028 0.000 1.084 158 L CA 2.097 57.046 54.840 0.182 0.000 0.791 158 L CB -0.756 41.366 42.059 0.105 0.000 0.898 158 L HN 0.177 nan 8.230 nan 0.000 0.440 159 R N -0.816 119.688 120.500 0.007 0.000 2.105 159 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 159 R C 2.389 178.644 176.300 -0.075 0.000 1.135 159 R CA 1.555 57.637 56.100 -0.031 0.000 0.967 159 R CB -0.370 29.919 30.300 -0.019 0.000 0.861 159 R HN 0.336 nan 8.270 nan 0.000 0.442 160 R N 0.214 120.640 120.500 -0.123 0.000 2.153 160 R HA 0.003 4.343 4.340 -0.000 0.000 0.218 160 R C 1.778 177.939 176.300 -0.231 0.000 1.072 160 R CA 1.134 57.123 56.100 -0.185 0.000 0.990 160 R CB 0.097 30.250 30.300 -0.245 0.000 0.889 160 R HN 0.213 nan 8.270 nan 0.000 0.452 161 A N -0.029 122.638 122.820 -0.256 0.000 2.115 161 A HA 0.246 4.566 4.320 -0.000 0.000 0.211 161 A C 2.130 179.653 177.584 -0.101 0.000 1.169 161 A CA 0.655 52.563 52.037 -0.214 0.000 0.787 161 A CB -0.152 18.720 19.000 -0.213 0.000 0.858 161 A HN 0.393 nan 8.150 nan 0.000 0.474 162 A N 1.348 124.121 122.820 -0.078 0.000 1.903 162 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 162 A C 0.234 177.776 177.584 -0.071 0.000 1.191 162 A CA 2.203 54.197 52.037 -0.071 0.000 0.638 162 A CB -1.909 17.048 19.000 -0.072 0.000 0.823 162 A HN 0.423 nan 8.150 nan 0.000 0.451 163 P HA -0.158 nan 4.420 nan 0.000 0.218 163 P C 0.341 177.610 177.300 -0.052 0.000 1.152 163 P CA 1.900 64.965 63.100 -0.059 0.000 0.857 163 P CB -0.103 31.561 31.700 -0.060 0.000 0.787 164 D N -2.630 117.737 120.400 -0.054 0.000 2.441 164 D HA 0.221 4.860 4.640 -0.000 0.000 0.210 164 D C 0.665 176.945 176.300 -0.033 0.000 1.102 164 D CA -0.077 53.898 54.000 -0.042 0.000 0.840 164 D CB -0.229 40.545 40.800 -0.044 0.000 0.990 164 D HN 0.039 nan 8.370 nan 0.000 0.505 165 A N 0.651 123.449 122.820 -0.037 0.000 2.406 165 A HA 0.167 4.487 4.320 -0.000 0.000 0.243 165 A C 1.427 179.003 177.584 -0.013 0.000 1.082 165 A CA 0.001 52.027 52.037 -0.019 0.000 0.786 165 A CB 0.588 19.574 19.000 -0.023 0.000 1.029 165 A HN 0.028 nan 8.150 nan 0.000 0.495 166 E N 0.020 120.233 120.200 0.021 0.000 2.051 166 E HA 0.007 4.356 4.350 -0.000 0.000 0.189 166 E C 0.517 177.112 176.600 -0.008 0.000 0.979 166 E CA 1.753 58.169 56.400 0.026 0.000 0.803 166 E CB 0.142 29.884 29.700 0.071 0.000 0.761 166 E HN 0.642 nan 8.360 nan 0.000 0.451 167 T N -0.335 114.215 114.554 -0.008 0.000 2.993 167 T HA 0.350 4.700 4.350 -0.000 0.000 0.312 167 T C -0.057 174.567 174.700 -0.126 0.000 1.115 167 T CA -0.623 61.413 62.100 -0.106 0.000 1.027 167 T CB 0.964 69.836 68.868 0.006 0.000 1.116 167 T HN 0.256 nan 8.240 nan 0.000 0.464 168 I N 2.355 122.737 120.570 -0.314 0.000 3.974 168 I HA 0.285 4.455 4.170 -0.000 0.000 0.334 168 I C 0.344 176.348 176.117 -0.189 0.000 1.437 168 I CA -0.045 61.138 61.300 -0.196 0.000 1.113 168 I CB -0.823 37.082 38.000 -0.158 0.000 1.063 168 I HN 0.690 nan 8.210 nan 0.000 0.400 169 Y N 0.846 121.043 120.300 -0.173 0.000 2.457 169 Y HA 0.041 4.589 4.550 -0.002 0.000 0.292 169 Y C 0.124 175.716 175.900 -0.513 0.000 1.125 169 Y CA 0.448 58.329 58.100 -0.365 0.000 1.254 169 Y CB 0.206 38.362 38.460 -0.506 0.000 1.012 169 Y HN 0.143 nan 8.280 nan 0.000 0.555 170 Y N -0.023 120.283 120.300 0.010 0.000 2.361 170 Y HA 0.450 5.001 4.550 0.002 0.000 0.337 170 Y C -0.936 174.750 175.900 -0.357 0.000 0.965 170 Y CA -2.070 55.902 58.100 -0.214 0.000 1.091 170 Y CB 0.983 39.265 38.460 -0.297 0.000 1.182 170 Y HN -0.235 nan 8.280 nan 0.000 0.450 171 I N 3.756 124.181 120.570 -0.241 0.000 2.404 171 I HA 0.342 4.512 4.170 -0.000 0.000 0.293 171 I C -1.071 174.822 176.117 -0.374 0.000 0.992 171 I CA -1.050 60.112 61.300 -0.229 0.000 1.149 171 I CB 0.848 38.782 38.000 -0.110 0.000 1.315 171 I HN 0.398 nan 8.210 nan 0.000 0.446 172 Y N 4.774 125.102 120.300 0.046 0.000 2.328 172 Y HA 0.503 5.052 4.550 -0.001 0.000 0.337 172 Y C 0.066 175.955 175.900 -0.018 0.000 1.008 172 Y CA -0.999 57.108 58.100 0.012 0.000 1.129 172 Y CB 1.349 39.827 38.460 0.029 0.000 1.185 172 Y HN 0.188 nan 8.280 nan 0.000 0.476 173 V N 5.948 125.915 119.914 0.088 0.000 2.353 173 V HA 0.218 4.338 4.120 -0.000 0.000 0.264 173 V C 0.152 176.263 176.094 0.028 0.000 1.049 173 V CA -0.627 61.685 62.300 0.021 0.000 0.896 173 V CB 0.175 31.991 31.823 -0.012 0.000 1.025 173 V HN 0.635 nan 8.190 nan 0.000 0.475 174 V N 3.009 122.938 119.914 0.024 0.000 3.109 174 V HA 0.757 4.877 4.120 -0.000 0.000 0.317 174 V C 0.103 176.192 176.094 -0.008 0.000 1.074 174 V CA -0.508 61.798 62.300 0.009 0.000 1.033 174 V CB 1.995 33.838 31.823 0.032 0.000 1.111 174 V HN 0.789 nan 8.190 nan 0.000 0.458 175 D N 1.257 121.649 120.400 -0.014 0.000 2.511 175 D HA 0.234 4.873 4.640 -0.000 0.000 0.283 175 D C 0.612 176.907 176.300 -0.008 0.000 1.198 175 D CA 0.212 54.203 54.000 -0.014 0.000 1.097 175 D CB 0.125 40.913 40.800 -0.019 0.000 1.160 175 D HN 0.719 nan 8.370 nan 0.000 0.589 176 E N -1.273 118.922 120.200 -0.007 0.000 2.502 176 E HA 0.074 4.424 4.350 -0.000 0.000 0.194 176 E C 0.799 177.399 176.600 -0.000 0.000 1.062 176 E CA 0.604 57.002 56.400 -0.002 0.000 0.867 176 E CB -0.144 29.555 29.700 -0.002 0.000 0.888 176 E HN 0.326 nan 8.360 nan 0.000 0.510 177 K N -0.264 120.133 120.400 -0.004 0.000 2.413 177 K HA 0.256 4.576 4.320 -0.000 0.000 0.204 177 K C 0.610 177.208 176.600 -0.003 0.000 1.041 177 K CA 0.294 56.579 56.287 -0.003 0.000 1.082 177 K CB 1.094 33.589 32.500 -0.008 0.000 0.871 177 K HN 0.248 nan 8.250 nan 0.000 0.535 178 G N 2.079 110.879 108.800 0.000 0.000 2.175 178 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 178 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 178 G C -0.210 174.681 174.900 -0.016 0.000 0.982 178 G CA -0.289 44.816 45.100 0.009 0.000 0.641 178 G HN 0.202 nan 8.290 nan 0.000 0.527 179 R N 0.014 120.491 120.500 -0.037 0.000 2.265 179 R HA 0.537 4.876 4.340 -0.000 0.000 0.319 179 R C 0.810 177.055 176.300 -0.091 0.000 1.006 179 R CA -0.827 55.226 56.100 -0.079 0.000 0.880 179 R CB 1.191 31.444 30.300 -0.079 0.000 1.077 179 R HN 0.249 nan 8.270 nan 0.000 0.454 180 L N 3.012 124.148 121.223 -0.144 0.000 2.653 180 L HA -0.185 4.155 4.340 -0.000 0.000 0.288 180 L C 1.162 177.971 176.870 -0.100 0.000 1.243 180 L CA 0.984 55.743 54.840 -0.135 0.000 0.906 180 L CB 0.252 42.168 42.059 -0.239 0.000 1.154 180 L HN 0.620 nan 8.230 nan 0.000 0.498 181 K N 1.036 121.408 120.400 -0.047 0.000 2.521 181 K HA 0.344 4.663 4.320 -0.000 0.000 0.213 181 K C -0.167 176.424 176.600 -0.015 0.000 1.223 181 K CA 0.396 56.662 56.287 -0.034 0.000 1.013 181 K CB 1.240 33.724 32.500 -0.026 0.000 1.017 181 K HN 0.744 nan 8.250 nan 0.000 0.591 182 G N -0.828 107.975 108.800 0.004 0.000 2.356 182 G HA2 0.405 4.365 3.960 -0.000 0.000 0.294 182 G HA3 0.405 4.365 3.960 -0.000 0.000 0.294 182 G C -2.097 172.826 174.900 0.039 0.000 1.423 182 G CA -0.275 44.832 45.100 0.011 0.000 0.806 182 G HN 0.004 nan 8.290 nan 0.000 0.527 183 V N -0.457 119.451 119.914 -0.010 0.000 3.007 183 V HA 0.891 5.011 4.120 -0.000 0.000 0.311 183 V C -1.612 174.412 176.094 -0.116 0.000 1.120 183 V CA -0.874 61.368 62.300 -0.096 0.000 0.980 183 V CB 1.963 33.705 31.823 -0.135 0.000 1.033 183 V HN 1.010 nan 8.190 nan 0.000 0.429 184 L N 4.018 125.145 121.223 -0.160 0.000 2.409 184 L HA 0.673 5.013 4.340 -0.000 0.000 0.272 184 L C -0.210 176.661 176.870 0.003 0.000 0.980 184 L CA 0.308 55.107 54.840 -0.070 0.000 0.826 184 L CB 2.109 44.123 42.059 -0.074 0.000 1.268 184 L HN 0.730 nan 8.230 nan 0.000 0.407 185 S N 2.977 118.711 115.700 0.057 0.000 2.499 185 S HA 0.256 4.726 4.470 -0.000 0.000 0.279 185 S C 0.961 175.590 174.600 0.048 0.000 1.219 185 S CA -0.545 57.730 58.200 0.125 0.000 1.062 185 S CB 0.649 63.931 63.200 0.136 0.000 0.978 185 S HN 0.667 nan 8.310 nan 0.000 0.489 186 L N 5.969 127.207 121.223 0.026 0.000 2.191 186 L HA 0.045 4.385 4.340 -0.000 0.000 0.212 186 L C 2.378 179.260 176.870 0.020 0.000 1.103 186 L CA 1.663 56.522 54.840 0.032 0.000 0.769 186 L CB -0.744 41.369 42.059 0.091 0.000 0.908 186 L HN 0.799 nan 8.230 nan 0.000 0.438 187 R N -0.613 119.889 120.500 0.004 0.000 2.120 187 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 187 R C 1.553 177.860 176.300 0.013 0.000 1.123 187 R CA 1.655 57.755 56.100 -0.001 0.000 0.975 187 R CB -0.157 30.141 30.300 -0.003 0.000 0.866 187 R HN 0.447 nan 8.270 nan 0.000 0.446 188 D N 0.716 121.129 120.400 0.022 0.000 2.091 188 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 188 D C 2.102 178.410 176.300 0.013 0.000 0.980 188 D CA 0.943 54.955 54.000 0.019 0.000 0.831 188 D CB -0.404 40.409 40.800 0.021 0.000 0.987 188 D HN 0.209 nan 8.370 nan 0.000 0.460 189 L N 0.802 122.033 121.223 0.013 0.000 2.051 189 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 189 L C 2.583 179.460 176.870 0.012 0.000 1.076 189 L CA 0.916 55.762 54.840 0.011 0.000 0.758 189 L CB -0.393 41.673 42.059 0.012 0.000 0.890 189 L HN 0.037 nan 8.230 nan 0.000 0.433 190 I N -0.199 120.380 120.570 0.014 0.000 2.493 190 I HA -0.200 3.969 4.170 -0.000 0.000 0.254 190 I C 2.176 178.299 176.117 0.010 0.000 1.160 190 I CA 1.257 62.565 61.300 0.013 0.000 1.445 190 I CB -0.024 37.984 38.000 0.013 0.000 1.086 190 I HN 0.245 nan 8.210 nan 0.000 0.433 191 V N -1.917 118.002 119.914 0.009 0.000 3.608 191 V HA 0.380 4.499 4.120 -0.000 0.000 0.269 191 V C 0.958 177.056 176.094 0.008 0.000 1.245 191 V CA -0.043 62.262 62.300 0.008 0.000 1.138 191 V CB -0.772 31.056 31.823 0.008 0.000 0.841 191 V HN 0.163 nan 8.190 nan 0.000 0.451 192 A N 1.059 123.883 122.820 0.008 0.000 2.306 192 A HA 0.538 4.858 4.320 -0.000 0.000 0.314 192 A C -0.154 177.434 177.584 0.006 0.000 1.164 192 A CA -0.269 51.773 52.037 0.007 0.000 0.822 192 A CB 0.591 19.595 19.000 0.006 0.000 1.130 192 A HN 0.413 nan 8.150 nan 0.000 0.496 193 D N 2.921 123.325 120.400 0.006 0.000 2.658 193 D HA -0.015 4.625 4.640 -0.000 0.000 0.230 193 D C -1.111 175.193 176.300 0.006 0.000 1.118 193 D CA -0.958 53.045 54.000 0.005 0.000 0.848 193 D CB 0.788 41.591 40.800 0.005 0.000 1.160 193 D HN 0.227 nan 8.370 nan 0.000 0.497 194 P HA -0.154 nan 4.420 nan 0.000 0.222 194 P C 0.575 177.878 177.300 0.006 0.000 1.147 194 P CA 0.964 64.069 63.100 0.007 0.000 0.790 194 P CB -0.073 31.632 31.700 0.009 0.000 0.780 195 R N 0.003 120.506 120.500 0.005 0.000 2.480 195 R HA 0.185 4.525 4.340 -0.000 0.000 0.277 195 R C -0.009 176.293 176.300 0.003 0.000 1.008 195 R CA -0.145 55.957 56.100 0.004 0.000 1.090 195 R CB -0.902 29.401 30.300 0.004 0.000 1.234 195 R HN 0.039 nan 8.270 nan 0.000 0.549 196 T N -1.753 112.802 114.554 0.002 0.000 2.837 196 T HA 0.507 4.856 4.350 -0.000 0.000 0.285 196 T C 0.330 175.029 174.700 -0.002 0.000 0.984 196 T CA -0.765 61.336 62.100 0.001 0.000 1.049 196 T CB 1.541 70.410 68.868 0.002 0.000 0.947 196 T HN 0.429 nan 8.240 nan 0.000 0.472 197 R N 2.597 123.096 120.500 -0.003 0.000 2.401 197 R HA 0.487 4.827 4.340 -0.000 0.000 0.299 197 R C 1.788 178.083 176.300 -0.009 0.000 1.064 197 R CA -0.052 56.044 56.100 -0.006 0.000 1.000 197 R CB -0.966 29.331 30.300 -0.006 0.000 0.973 197 R HN 1.171 nan 8.270 nan 0.000 0.438 198 V N 0.099 120.004 119.914 -0.015 0.000 2.392 198 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 198 V C 2.566 178.651 176.094 -0.016 0.000 1.059 198 V CA 2.201 64.490 62.300 -0.018 0.000 1.051 198 V CB -1.305 30.499 31.823 -0.031 0.000 0.658 198 V HN 1.043 nan 8.190 nan 0.000 0.455 199 A N 2.009 124.819 122.820 -0.016 0.000 1.940 199 A HA -0.308 4.011 4.320 -0.000 0.000 0.221 199 A C 2.204 179.784 177.584 -0.006 0.000 1.190 199 A CA 2.402 54.432 52.037 -0.012 0.000 0.647 199 A CB -0.789 18.204 19.000 -0.010 0.000 0.821 199 A HN 0.929 nan 8.150 nan 0.000 0.457 200 E N -0.185 120.013 120.200 -0.004 0.000 2.494 200 E HA 0.135 4.485 4.350 -0.000 0.000 0.193 200 E C 1.279 177.880 176.600 0.001 0.000 1.074 200 E CA 0.825 57.225 56.400 -0.000 0.000 0.867 200 E CB -0.340 29.360 29.700 0.000 0.000 0.924 200 E HN 0.895 nan 8.360 nan 0.000 0.502 201 I N -2.531 118.038 120.570 -0.001 0.000 4.592 201 I HA 0.232 4.401 4.170 -0.000 0.000 0.329 201 I C 0.953 177.070 176.117 0.001 0.000 1.309 201 I CA -0.724 60.577 61.300 0.002 0.000 1.243 201 I CB 0.218 38.219 38.000 0.002 0.000 1.241 201 I HN -0.028 nan 8.210 nan 0.000 0.434 202 M N 1.621 121.217 119.600 -0.006 0.000 2.157 202 M HA 0.354 4.834 4.480 -0.000 0.000 0.304 202 M C -0.359 175.940 176.300 -0.003 0.000 1.171 202 M CA 0.098 55.392 55.300 -0.011 0.000 1.157 202 M CB 0.166 32.755 32.600 -0.020 0.000 1.403 202 M HN 0.128 nan 8.290 nan 0.000 0.473 203 N N 1.385 120.081 118.700 -0.006 0.000 2.476 203 N HA 0.422 5.162 4.740 -0.000 0.000 0.257 203 N C -2.238 173.277 175.510 0.008 0.000 0.970 203 N CA -2.367 50.687 53.050 0.007 0.000 0.938 203 N CB 1.339 39.833 38.487 0.012 0.000 1.144 203 N HN 0.401 nan 8.380 nan 0.000 0.500 204 P HA -0.093 nan 4.420 nan 0.000 0.217 204 P C 0.031 177.344 177.300 0.022 0.000 1.150 204 P CA 1.205 64.312 63.100 0.012 0.000 0.832 204 P CB -0.062 31.645 31.700 0.012 0.000 0.787 205 K N 1.781 122.204 120.400 0.038 0.000 2.121 205 K HA 0.319 4.639 4.320 -0.000 0.000 0.235 205 K C 0.169 176.807 176.600 0.062 0.000 1.200 205 K CA -0.197 56.124 56.287 0.058 0.000 1.115 205 K CB -1.443 31.101 32.500 0.073 0.000 1.474 205 K HN -0.000 nan 8.250 nan 0.000 0.295 206 V N 2.428 122.375 119.914 0.054 0.000 2.370 206 V HA 0.073 4.193 4.120 -0.000 0.000 0.257 206 V C 0.733 176.910 176.094 0.138 0.000 1.064 206 V CA -1.133 61.197 62.300 0.050 0.000 0.975 206 V CB 0.435 32.267 31.823 0.014 0.000 1.067 206 V HN 0.460 nan 8.190 nan 0.000 0.485 207 V N 7.260 127.212 119.914 0.063 0.000 2.599 207 V HA 0.246 4.366 4.120 -0.000 0.000 0.300 207 V C -0.055 176.081 176.094 0.069 0.000 1.034 207 V CA 0.378 62.679 62.300 0.002 0.000 1.115 207 V CB -0.191 31.531 31.823 -0.168 0.000 0.934 207 V HN 0.934 nan 8.190 nan 0.000 0.485 208 Y N 3.201 123.424 120.300 -0.129 0.000 2.705 208 Y HA 0.835 5.385 4.550 -0.001 0.000 0.332 208 Y C -0.758 175.073 175.900 -0.115 0.000 1.221 208 Y CA -1.496 56.517 58.100 -0.145 0.000 1.059 208 Y CB 1.577 39.936 38.460 -0.168 0.000 1.298 208 Y HN 0.488 nan 8.280 nan 0.000 0.459 209 V N -0.755 119.122 119.914 -0.062 0.000 3.040 209 V HA 0.764 4.884 4.120 -0.000 0.000 0.312 209 V C -0.522 175.590 176.094 0.030 0.000 1.115 209 V CA -1.402 60.819 62.300 -0.132 0.000 0.998 209 V CB 2.011 33.771 31.823 -0.105 0.000 1.042 209 V HN 1.000 nan 8.190 nan 0.000 0.433 210 R N 0.824 121.321 120.500 -0.006 0.000 2.541 210 R HA 0.470 4.810 4.340 -0.000 0.000 0.263 210 R C 1.448 177.723 176.300 -0.042 0.000 1.112 210 R CA 0.151 56.266 56.100 0.024 0.000 1.170 210 R CB 0.766 31.089 30.300 0.038 0.000 1.167 210 R HN 0.964 nan 8.270 nan 0.000 0.582 211 T N -2.754 111.771 114.554 -0.048 0.000 3.055 211 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 211 T C 1.018 175.700 174.700 -0.029 0.000 1.111 211 T CA 1.271 63.295 62.100 -0.127 0.000 1.118 211 T CB -0.248 68.509 68.868 -0.185 0.000 0.909 211 T HN 0.707 nan 8.240 nan 0.000 0.501 212 D N 0.811 121.225 120.400 0.023 0.000 2.240 212 D HA 0.025 4.664 4.640 -0.000 0.000 0.206 212 D C 0.681 176.984 176.300 0.005 0.000 0.963 212 D CA 0.108 54.130 54.000 0.037 0.000 0.863 212 D CB -1.215 39.611 40.800 0.044 0.000 0.973 212 D HN 0.137 nan 8.370 nan 0.000 0.501 213 T N 1.792 116.336 114.554 -0.016 0.000 2.720 213 T HA -0.117 4.232 4.350 -0.000 0.000 0.255 213 T C -0.200 174.484 174.700 -0.026 0.000 1.021 213 T CA 0.529 62.610 62.100 -0.031 0.000 1.145 213 T CB -0.045 68.790 68.868 -0.056 0.000 1.036 213 T HN 0.144 nan 8.240 nan 0.000 0.479 214 D N 2.847 123.235 120.400 -0.021 0.000 2.414 214 D HA 0.036 4.676 4.640 -0.000 0.000 0.242 214 D C 1.260 177.550 176.300 -0.018 0.000 1.129 214 D CA -0.082 53.910 54.000 -0.015 0.000 0.885 214 D CB 0.721 41.514 40.800 -0.012 0.000 1.198 214 D HN 0.615 nan 8.370 nan 0.000 0.437 215 Q N 1.506 121.299 119.800 -0.012 0.000 2.118 215 Q HA -0.281 4.059 4.340 -0.000 0.000 0.211 215 Q C 1.426 177.419 176.000 -0.012 0.000 0.998 215 Q CA 1.795 57.591 55.803 -0.011 0.000 0.872 215 Q CB 0.149 28.884 28.738 -0.006 0.000 0.925 215 Q HN 0.552 nan 8.270 nan 0.000 0.414 216 E N -0.697 119.495 120.200 -0.012 0.000 2.158 216 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 216 E C 1.834 178.425 176.600 -0.015 0.000 0.982 216 E CA 0.424 56.816 56.400 -0.013 0.000 0.823 216 E CB 0.188 29.880 29.700 -0.015 0.000 0.766 216 E HN 0.204 nan 8.360 nan 0.000 0.468 217 E N 0.303 120.492 120.200 -0.018 0.000 2.153 217 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 217 E C 1.947 178.533 176.600 -0.023 0.000 0.988 217 E CA 0.460 56.846 56.400 -0.023 0.000 0.811 217 E CB -0.038 29.645 29.700 -0.030 0.000 0.746 217 E HN 0.110 nan 8.360 nan 0.000 0.466 218 V N 1.014 120.915 119.914 -0.021 0.000 2.221 218 V HA -0.269 3.851 4.120 -0.000 0.000 0.242 218 V C 2.460 178.556 176.094 0.004 0.000 1.041 218 V CA 1.931 64.222 62.300 -0.015 0.000 0.995 218 V CB -1.165 30.648 31.823 -0.016 0.000 0.635 218 V HN 0.348 nan 8.190 nan 0.000 0.448 219 A N 0.113 122.935 122.820 0.004 0.000 1.969 219 A HA -0.400 3.920 4.320 -0.000 0.000 0.223 219 A C 2.421 180.010 177.584 0.009 0.000 1.218 219 A CA 3.917 55.960 52.037 0.009 0.000 0.667 219 A CB -1.003 17.997 19.000 0.001 0.000 0.826 219 A HN 0.607 nan 8.150 nan 0.000 0.472 220 R N -0.556 119.946 120.500 0.003 0.000 2.088 220 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 220 R C 2.300 178.613 176.300 0.023 0.000 1.136 220 R CA 1.686 57.787 56.100 0.002 0.000 0.926 220 R CB -1.537 28.761 30.300 -0.004 0.000 0.837 220 R HN 0.580 nan 8.270 nan 0.000 0.429 221 L N -0.501 120.747 121.223 0.041 0.000 1.978 221 L HA -0.306 4.034 4.340 -0.000 0.000 0.218 221 L C 3.020 179.941 176.870 0.085 0.000 1.075 221 L CA 2.463 57.357 54.840 0.091 0.000 0.767 221 L CB -0.493 41.582 42.059 0.026 0.000 0.890 221 L HN 0.553 nan 8.230 nan 0.000 0.434 222 M N -0.302 119.342 119.600 0.074 0.000 2.113 222 M HA -0.291 4.189 4.480 -0.000 0.000 0.255 222 M C 2.205 178.530 176.300 0.041 0.000 1.073 222 M CA 2.516 57.873 55.300 0.096 0.000 1.091 222 M CB -0.344 32.310 32.600 0.089 0.000 1.309 222 M HN 0.271 nan 8.290 nan 0.000 0.407 223 A N -0.753 122.079 122.820 0.018 0.000 1.930 223 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 223 A C 1.843 179.395 177.584 -0.054 0.000 1.175 223 A CA 1.888 53.919 52.037 -0.011 0.000 0.627 223 A CB -0.980 18.013 19.000 -0.012 0.000 0.815 223 A HN 0.590 nan 8.150 nan 0.000 0.443 224 D N -0.727 119.640 120.400 -0.054 0.000 2.095 224 D HA -0.161 4.478 4.640 -0.000 0.000 0.192 224 D C 1.388 177.526 176.300 -0.270 0.000 0.990 224 D CA 1.585 55.497 54.000 -0.148 0.000 0.836 224 D CB -0.548 40.184 40.800 -0.114 0.000 0.979 224 D HN 0.557 nan 8.370 nan 0.000 0.447 225 Y N 0.802 120.853 120.300 -0.415 0.000 2.578 225 Y HA 0.004 4.553 4.550 -0.001 0.000 0.297 225 Y C 0.399 175.903 175.900 -0.660 0.000 1.176 225 Y CA 0.415 58.096 58.100 -0.699 0.000 1.315 225 Y CB -0.022 37.611 38.460 -1.379 0.000 1.031 225 Y HN -0.033 nan 8.280 nan 0.000 0.524 226 D N -1.747 118.515 120.400 -0.231 0.000 3.041 226 D HA -0.200 4.440 4.640 -0.000 0.000 0.220 226 D C -0.403 175.960 176.300 0.105 0.000 1.157 226 D CA 0.562 54.529 54.000 -0.056 0.000 0.876 226 D CB -1.513 39.269 40.800 -0.030 0.000 1.107 226 D HN 0.135 nan 8.370 nan 0.000 0.422 227 F N 0.516 120.517 119.950 0.085 0.000 2.435 227 F HA 0.236 4.762 4.527 -0.000 0.000 0.316 227 F C 2.395 178.259 175.800 0.106 0.000 1.220 227 F CA 0.404 58.435 58.000 0.051 0.000 1.241 227 F CB 0.240 39.233 39.000 -0.013 0.000 1.234 227 F HN -0.169 nan 8.300 nan 0.000 0.569 228 T N -2.466 112.330 114.554 0.404 0.000 2.958 228 T HA 0.404 4.754 4.350 -0.000 0.000 0.256 228 T C -0.043 174.854 174.700 0.330 0.000 0.983 228 T CA -0.014 62.294 62.100 0.346 0.000 0.924 228 T CB -0.029 69.057 68.868 0.364 0.000 1.136 228 T HN 0.167 nan 8.240 nan 0.000 0.506 229 V N 1.555 121.657 119.914 0.313 0.000 2.888 229 V HA 0.722 4.841 4.120 -0.000 0.000 0.309 229 V C -1.719 174.422 176.094 0.077 0.000 1.114 229 V CA -0.999 61.449 62.300 0.247 0.000 0.940 229 V CB 2.598 34.700 31.823 0.464 0.000 1.021 229 V HN 0.239 nan 8.190 nan 0.000 0.426 230 L N 6.247 127.508 121.223 0.064 0.000 2.436 230 L HA 0.710 5.050 4.340 -0.000 0.000 0.268 230 L C -2.651 174.132 176.870 -0.146 0.000 0.974 230 L CA -1.781 53.041 54.840 -0.030 0.000 0.826 230 L CB 3.017 45.091 42.059 0.025 0.000 1.291 230 L HN 0.424 nan 8.230 nan 0.000 0.406 231 P HA 0.146 nan 4.420 nan 0.000 0.284 231 P C -0.780 176.332 177.300 -0.313 0.000 1.343 231 P CA -0.180 62.576 63.100 -0.573 0.000 0.826 231 P CB 0.935 32.120 31.700 -0.859 0.000 0.956 232 V N 5.626 125.354 119.914 -0.310 0.000 2.427 232 V HA 0.090 4.210 4.120 -0.000 0.000 0.268 232 V C 1.213 177.166 176.094 -0.235 0.000 1.046 232 V CA -0.421 61.751 62.300 -0.214 0.000 0.970 232 V CB 0.957 32.639 31.823 -0.235 0.000 1.001 232 V HN 0.437 nan 8.190 nan 0.000 0.476 233 V N 2.590 122.431 119.914 -0.123 0.000 2.617 233 V HA 0.632 4.751 4.120 -0.000 0.000 0.298 233 V C 0.197 176.248 176.094 -0.071 0.000 1.048 233 V CA -0.806 61.411 62.300 -0.139 0.000 0.964 233 V CB 1.693 33.403 31.823 -0.188 0.000 1.004 233 V HN 0.872 nan 8.190 nan 0.000 0.466 234 D N 2.930 123.298 120.400 -0.054 0.000 2.414 234 D HA 0.227 4.866 4.640 -0.000 0.000 0.259 234 D C 1.143 177.460 176.300 0.028 0.000 1.269 234 D CA 0.444 54.450 54.000 0.009 0.000 1.028 234 D CB 0.536 41.364 40.800 0.048 0.000 1.093 234 D HN 0.837 nan 8.370 nan 0.000 0.545 235 E N -1.040 119.196 120.200 0.060 0.000 2.501 235 E HA -0.157 4.192 4.350 -0.000 0.000 0.203 235 E C 1.137 177.755 176.600 0.030 0.000 1.072 235 E CA 1.534 57.964 56.400 0.051 0.000 0.885 235 E CB -0.613 29.121 29.700 0.057 0.000 0.813 235 E HN 0.491 nan 8.360 nan 0.000 0.556 236 E N -1.720 118.490 120.200 0.017 0.000 3.191 236 E HA 0.350 4.700 4.350 -0.000 0.000 0.192 236 E C 1.099 177.685 176.600 -0.024 0.000 0.972 236 E CA 0.182 56.583 56.400 0.002 0.000 1.266 236 E CB -0.202 29.502 29.700 0.006 0.000 1.076 236 E HN 0.449 nan 8.360 nan 0.000 0.462 237 G N 1.264 110.037 108.800 -0.044 0.000 2.220 237 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.269 237 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.269 237 G C 0.366 175.190 174.900 -0.128 0.000 0.977 237 G CA 0.493 45.527 45.100 -0.110 0.000 0.634 237 G HN 0.313 nan 8.290 nan 0.000 0.539 238 R N 0.175 120.630 120.500 -0.075 0.000 2.296 238 R HA 0.425 4.765 4.340 -0.000 0.000 0.323 238 R C 0.603 176.846 176.300 -0.094 0.000 1.067 238 R CA -0.751 55.311 56.100 -0.064 0.000 0.946 238 R CB 0.763 31.052 30.300 -0.017 0.000 0.991 238 R HN 0.268 nan 8.270 nan 0.000 0.448 239 L N 4.713 125.856 121.223 -0.134 0.000 2.593 239 L HA -0.103 4.237 4.340 -0.000 0.000 0.287 239 L C 0.692 177.469 176.870 -0.155 0.000 1.243 239 L CA 0.845 55.547 54.840 -0.230 0.000 0.890 239 L CB 0.957 42.866 42.059 -0.249 0.000 1.134 239 L HN 0.664 nan 8.230 nan 0.000 0.502 240 V N 1.496 121.251 119.914 -0.265 0.000 3.509 240 V HA 0.811 4.931 4.120 -0.000 0.000 0.286 240 V C 0.335 176.347 176.094 -0.138 0.000 1.618 240 V CA 0.317 62.564 62.300 -0.088 0.000 1.088 240 V CB -0.245 31.563 31.823 -0.024 0.000 0.909 240 V HN 1.199 nan 8.190 nan 0.000 0.429 241 G N 0.954 109.461 108.800 -0.488 0.000 2.316 241 G HA2 0.572 4.532 3.960 -0.000 0.000 0.296 241 G HA3 0.572 4.532 3.960 -0.000 0.000 0.296 241 G C -1.660 172.964 174.900 -0.461 0.000 1.399 241 G CA -0.117 44.769 45.100 -0.357 0.000 0.833 241 G HN 1.028 nan 8.290 nan 0.000 0.565 242 I N -2.489 117.953 120.570 -0.213 0.000 3.108 242 I HA 0.926 5.096 4.170 -0.000 0.000 0.312 242 I C -0.684 175.405 176.117 -0.047 0.000 1.095 242 I CA -1.542 59.667 61.300 -0.152 0.000 1.000 242 I CB 2.272 40.270 38.000 -0.004 0.000 1.229 242 I HN 0.424 nan 8.210 nan 0.000 0.454 243 V N 0.996 120.899 119.914 -0.018 0.000 2.735 243 V HA 0.621 4.741 4.120 -0.000 0.000 0.310 243 V C -0.100 176.037 176.094 0.071 0.000 1.061 243 V CA -0.414 61.896 62.300 0.017 0.000 0.913 243 V CB 1.912 33.731 31.823 -0.006 0.000 1.005 243 V HN 0.960 nan 8.190 nan 0.000 0.428 244 T N 0.245 114.847 114.554 0.080 0.000 2.823 244 T HA 0.428 4.778 4.350 -0.000 0.000 0.279 244 T C 0.948 175.703 174.700 0.092 0.000 0.998 244 T CA -0.220 61.946 62.100 0.109 0.000 0.994 244 T CB 1.882 70.815 68.868 0.109 0.000 0.960 244 T HN 0.448 nan 8.240 nan 0.000 0.448 245 V N 2.172 122.152 119.914 0.112 0.000 2.317 245 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 245 V C 2.438 178.568 176.094 0.060 0.000 1.065 245 V CA 2.856 65.210 62.300 0.090 0.000 1.049 245 V CB -0.893 30.993 31.823 0.106 0.000 0.651 245 V HN 1.095 nan 8.190 nan 0.000 0.450 246 D N -1.443 118.993 120.400 0.060 0.000 2.228 246 D HA -0.254 4.386 4.640 -0.000 0.000 0.203 246 D C 1.493 177.806 176.300 0.021 0.000 0.988 246 D CA 1.806 55.827 54.000 0.034 0.000 0.864 246 D CB -0.418 40.405 40.800 0.038 0.000 0.928 246 D HN 0.513 nan 8.370 nan 0.000 0.469 247 D N 0.015 120.435 120.400 0.034 0.000 2.213 247 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 247 D C 2.308 178.619 176.300 0.019 0.000 0.961 247 D CA 0.233 54.249 54.000 0.027 0.000 0.853 247 D CB 0.114 40.935 40.800 0.035 0.000 0.967 247 D HN 0.115 nan 8.370 nan 0.000 0.496 248 V N 1.167 121.096 119.914 0.025 0.000 2.427 248 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 248 V C 2.579 178.679 176.094 0.010 0.000 1.051 248 V CA 0.880 63.191 62.300 0.019 0.000 1.048 248 V CB -0.327 31.514 31.823 0.031 0.000 0.666 248 V HN 0.260 nan 8.190 nan 0.000 0.456 249 L N -0.040 121.189 121.223 0.010 0.000 2.034 249 L HA -0.292 4.047 4.340 -0.000 0.000 0.217 249 L C 2.383 179.247 176.870 -0.009 0.000 1.077 249 L CA 2.184 57.023 54.840 -0.001 0.000 0.769 249 L CB -0.969 41.086 42.059 -0.006 0.000 0.890 249 L HN 0.391 nan 8.230 nan 0.000 0.435 250 D N -0.649 119.745 120.400 -0.010 0.000 2.178 250 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 250 D C 2.215 178.509 176.300 -0.010 0.000 0.980 250 D CA 0.802 54.794 54.000 -0.013 0.000 0.842 250 D CB -0.182 40.612 40.800 -0.010 0.000 0.948 250 D HN 0.115 nan 8.370 nan 0.000 0.472 251 V N 0.785 120.695 119.914 -0.006 0.000 2.216 251 V HA -0.247 3.873 4.120 -0.000 0.000 0.242 251 V C 2.513 178.599 176.094 -0.013 0.000 1.042 251 V CA 1.094 63.389 62.300 -0.008 0.000 0.991 251 V CB -0.650 31.171 31.823 -0.003 0.000 0.633 251 V HN 0.107 nan 8.190 nan 0.000 0.449 252 L N 0.162 121.379 121.223 -0.011 0.000 2.064 252 L HA -0.351 3.988 4.340 -0.000 0.000 0.234 252 L C 2.618 179.476 176.870 -0.020 0.000 1.103 252 L CA 2.803 57.635 54.840 -0.014 0.000 0.824 252 L CB -0.944 41.109 42.059 -0.010 0.000 0.919 252 L HN 0.635 nan 8.230 nan 0.000 0.447 253 E N -1.249 118.939 120.200 -0.020 0.000 2.085 253 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 253 E C 1.998 178.576 176.600 -0.037 0.000 0.994 253 E CA 1.439 57.824 56.400 -0.025 0.000 0.801 253 E CB -0.197 29.489 29.700 -0.022 0.000 0.743 253 E HN 0.514 nan 8.360 nan 0.000 0.453 254 A N 0.549 123.347 122.820 -0.036 0.000 2.014 254 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 254 A C 1.992 179.546 177.584 -0.051 0.000 1.163 254 A CA 1.096 53.104 52.037 -0.049 0.000 0.652 254 A CB -0.315 18.665 19.000 -0.034 0.000 0.808 254 A HN 0.203 nan 8.150 nan 0.000 0.449 255 E N 0.335 120.513 120.200 -0.036 0.000 2.017 255 E HA -0.122 4.227 4.350 -0.000 0.000 0.193 255 E C 2.414 178.991 176.600 -0.037 0.000 0.997 255 E CA 1.422 57.803 56.400 -0.032 0.000 0.804 255 E CB -0.808 28.878 29.700 -0.024 0.000 0.757 255 E HN 0.505 nan 8.360 nan 0.000 0.448 256 A N 0.506 123.305 122.820 -0.035 0.000 1.908 256 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 256 A C 2.472 180.031 177.584 -0.043 0.000 1.181 256 A CA 2.221 54.239 52.037 -0.032 0.000 0.627 256 A CB -1.013 17.973 19.000 -0.025 0.000 0.818 256 A HN 0.273 nan 8.150 nan 0.000 0.445 257 T N -0.685 113.824 114.554 -0.074 0.000 2.803 257 T HA -0.150 4.199 4.350 -0.000 0.000 0.269 257 T C 1.849 176.415 174.700 -0.223 0.000 1.052 257 T CA 1.548 63.558 62.100 -0.150 0.000 1.136 257 T CB -0.171 68.579 68.868 -0.196 0.000 0.864 257 T HN 0.673 nan 8.240 nan 0.000 0.467 258 E N 0.468 120.587 120.200 -0.135 0.000 2.046 258 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 258 E C 1.727 178.326 176.600 -0.000 0.000 0.982 258 E CA 1.072 57.427 56.400 -0.075 0.000 0.800 258 E CB -0.008 29.667 29.700 -0.042 0.000 0.756 258 E HN 0.333 nan 8.360 nan 0.000 0.449 259 D N 0.713 121.106 120.400 -0.010 0.000 2.104 259 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 259 D C 2.009 178.320 176.300 0.018 0.000 0.994 259 D CA 1.053 55.052 54.000 -0.002 0.000 0.830 259 D CB -0.216 40.575 40.800 -0.016 0.000 0.959 259 D HN 0.266 nan 8.370 nan 0.000 0.452 260 I N 0.194 120.787 120.570 0.037 0.000 2.179 260 I HA -0.270 3.899 4.170 -0.000 0.000 0.242 260 I C 2.256 178.449 176.117 0.127 0.000 1.088 260 I CA 1.205 62.547 61.300 0.069 0.000 1.357 260 I CB -0.448 37.608 38.000 0.093 0.000 1.051 260 I HN 0.211 nan 8.210 nan 0.000 0.409 261 H N 0.827 119.887 119.070 -0.017 0.000 2.422 261 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 261 H C 1.933 177.243 175.328 -0.030 0.000 1.098 261 H CA 1.036 57.079 56.048 -0.010 0.000 1.315 261 H CB 0.123 29.894 29.762 0.014 0.000 1.382 261 H HN 0.305 nan 8.280 nan 0.000 0.523 262 K N 0.222 120.670 120.400 0.079 0.000 2.418 262 K HA -0.059 4.261 4.320 -0.000 0.000 0.195 262 K C 1.749 178.288 176.600 -0.101 0.000 1.035 262 K CA 0.029 56.309 56.287 -0.012 0.000 1.003 262 K CB 0.240 32.741 32.500 0.001 0.000 0.793 262 K HN 0.063 nan 8.250 nan 0.000 0.494 263 L N 0.088 121.268 121.223 -0.072 0.000 2.034 263 L HA 0.041 4.381 4.340 -0.000 0.000 0.203 263 L C 2.041 178.830 176.870 -0.135 0.000 1.074 263 L CA 1.670 56.448 54.840 -0.103 0.000 0.748 263 L CB -0.908 41.114 42.059 -0.061 0.000 0.905 263 L HN 0.114 nan 8.230 nan 0.000 0.439 264 G N -1.829 106.909 108.800 -0.104 0.000 2.708 264 G HA2 0.186 4.145 3.960 -0.000 0.000 0.210 264 G HA3 0.186 4.145 3.960 -0.000 0.000 0.210 264 G C 0.943 175.758 174.900 -0.141 0.000 1.141 264 G CA 0.626 45.659 45.100 -0.111 0.000 0.788 264 G HN 0.835 nan 8.290 nan 0.000 0.531 265 A N -2.352 120.343 122.820 -0.207 0.000 3.141 265 A HA -0.167 4.153 4.320 -0.000 0.000 0.242 265 A C 0.614 178.141 177.584 -0.095 0.000 1.313 265 A CA 0.654 52.504 52.037 -0.311 0.000 1.060 265 A CB -2.076 16.745 19.000 -0.297 0.000 1.153 265 A HN 1.516 nan 8.150 nan 0.000 0.847 266 V N 0.293 120.183 119.914 -0.039 0.000 2.407 266 V HA 0.659 4.779 4.120 -0.000 0.000 0.278 266 V C 0.009 176.174 176.094 0.119 0.000 1.037 266 V CA 0.231 62.558 62.300 0.044 0.000 0.900 266 V CB 1.425 33.224 31.823 -0.039 0.000 0.983 266 V HN 0.315 nan 8.190 nan 0.000 0.459 267 D N 4.718 125.228 120.400 0.183 0.000 3.035 267 D HA 0.313 4.953 4.640 -0.000 0.000 0.290 267 D C -0.651 175.729 176.300 0.132 0.000 1.360 267 D CA 0.308 54.424 54.000 0.192 0.000 0.862 267 D CB 0.685 41.657 40.800 0.287 0.000 1.078 267 D HN 0.372 nan 8.370 nan 0.000 0.487 268 V N 2.709 122.707 119.914 0.139 0.000 2.325 268 V HA 0.224 4.343 4.120 -0.000 0.000 0.280 268 V C -1.295 174.877 176.094 0.131 0.000 1.016 268 V CA -1.203 61.167 62.300 0.117 0.000 0.818 268 V CB 1.977 33.865 31.823 0.108 0.000 1.019 268 V HN 0.058 nan 8.190 nan 0.000 0.434 269 P HA -0.070 nan 4.420 nan 0.000 0.217 269 P C 0.546 177.848 177.300 0.003 0.000 1.150 269 P CA 1.664 64.784 63.100 0.032 0.000 0.832 269 P CB 0.261 31.975 31.700 0.023 0.000 0.787 270 D N 0.823 121.240 120.400 0.028 0.000 2.970 270 D HA 0.434 5.074 4.640 -0.000 0.000 0.282 270 D C -0.238 176.094 176.300 0.053 0.000 1.291 270 D CA -0.406 53.608 54.000 0.023 0.000 0.967 270 D CB -0.773 40.040 40.800 0.021 0.000 1.017 270 D HN 0.092 nan 8.370 nan 0.000 0.512 271 L N 1.147 122.421 121.223 0.086 0.000 2.316 271 L HA 0.514 4.854 4.340 -0.000 0.000 0.280 271 L C -0.824 176.151 176.870 0.174 0.000 1.006 271 L CA -0.758 54.167 54.840 0.141 0.000 0.836 271 L CB 1.952 44.136 42.059 0.209 0.000 1.221 271 L HN 0.155 nan 8.230 nan 0.000 0.418 272 V N 5.329 125.322 119.914 0.131 0.000 2.370 272 V HA 0.051 4.171 4.120 -0.000 0.000 0.279 272 V C 0.587 176.781 176.094 0.166 0.000 1.029 272 V CA -0.293 62.097 62.300 0.151 0.000 0.870 272 V CB 1.169 33.056 31.823 0.106 0.000 0.984 272 V HN 0.747 nan 8.190 nan 0.000 0.451 273 Y N 4.759 125.121 120.300 0.104 0.000 2.081 273 Y HA -0.314 4.236 4.550 -0.001 0.000 0.280 273 Y C 2.627 178.566 175.900 0.066 0.000 1.163 273 Y CA 2.590 60.739 58.100 0.080 0.000 1.135 273 Y CB 0.018 38.520 38.460 0.070 0.000 0.970 273 Y HN 0.726 nan 8.280 nan 0.000 0.498 274 S N -0.331 115.472 115.700 0.173 0.000 2.399 274 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 274 S C 1.326 175.929 174.600 0.006 0.000 1.022 274 S CA 1.037 59.287 58.200 0.083 0.000 0.983 274 S CB -0.989 62.299 63.200 0.147 0.000 0.803 274 S HN 0.556 nan 8.310 nan 0.000 0.480 275 E N 0.777 120.996 120.200 0.032 0.000 2.201 275 E HA 0.730 5.080 4.350 -0.000 0.000 0.272 275 E C -0.219 176.379 176.600 -0.003 0.000 1.228 275 E CA -0.232 56.183 56.400 0.025 0.000 1.305 275 E CB -0.467 29.267 29.700 0.058 0.000 1.381 275 E HN 0.994 nan 8.360 nan 0.000 0.475 276 A N -0.035 122.752 122.820 -0.055 0.000 2.560 276 A HA 0.713 5.032 4.320 -0.000 0.000 0.300 276 A C 0.308 177.830 177.584 -0.104 0.000 1.062 276 A CA -0.121 51.879 52.037 -0.062 0.000 0.767 276 A CB 0.806 19.773 19.000 -0.056 0.000 1.288 276 A HN 1.029 nan 8.150 nan 0.000 0.396 277 G N 1.342 110.110 108.800 -0.052 0.000 2.535 277 G HA2 0.592 4.552 3.960 -0.000 0.000 0.303 277 G HA3 0.592 4.552 3.960 -0.000 0.000 0.303 277 G C -1.608 173.275 174.900 -0.028 0.000 1.237 277 G CA -1.444 43.628 45.100 -0.047 0.000 0.986 277 G HN 0.387 nan 8.290 nan 0.000 0.494 278 P HA -0.102 nan 4.420 nan 0.000 0.213 278 P C 2.131 179.478 177.300 0.077 0.000 1.170 278 P CA 1.050 64.162 63.100 0.021 0.000 0.898 278 P CB -0.068 31.631 31.700 -0.001 0.000 0.787 279 V N -0.215 119.731 119.914 0.053 0.000 2.546 279 V HA -0.254 3.865 4.120 -0.000 0.000 0.254 279 V C 2.366 178.575 176.094 0.191 0.000 1.076 279 V CA 2.179 64.538 62.300 0.099 0.000 1.087 279 V CB -1.923 29.922 31.823 0.037 0.000 0.674 279 V HN 0.124 nan 8.190 nan 0.000 0.470 280 A N -0.565 122.326 122.820 0.118 0.000 1.984 280 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 280 A C 1.985 179.631 177.584 0.104 0.000 1.173 280 A CA 0.797 52.895 52.037 0.103 0.000 0.673 280 A CB -0.320 18.712 19.000 0.053 0.000 0.830 280 A HN 0.404 nan 8.150 nan 0.000 0.453 281 L N -1.955 119.325 121.223 0.096 0.000 2.201 281 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 281 L C 2.033 178.993 176.870 0.150 0.000 1.105 281 L CA 1.139 56.034 54.840 0.093 0.000 0.775 281 L CB -0.924 41.171 42.059 0.060 0.000 0.913 281 L HN 0.739 nan 8.230 nan 0.000 0.440 282 W N 0.332 121.638 121.300 0.010 0.000 2.352 282 W HA -0.206 4.454 4.660 -0.001 0.000 0.322 282 W C 2.264 178.795 176.519 0.020 0.000 1.208 282 W CA 1.550 58.904 57.345 0.016 0.000 1.286 282 W CB -0.479 28.987 29.460 0.009 0.000 1.167 282 W HN 0.015 nan 8.180 nan 0.000 0.469 283 L N 0.782 122.033 121.223 0.047 0.000 2.263 283 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 283 L C 2.483 179.258 176.870 -0.158 0.000 1.111 283 L CA 1.343 56.082 54.840 -0.170 0.000 0.773 283 L CB -1.139 40.941 42.059 0.035 0.000 0.906 283 L HN 0.195 nan 8.230 nan 0.000 0.439 284 A N -0.108 122.675 122.820 -0.063 0.000 1.911 284 A HA -0.038 4.282 4.320 -0.000 0.000 0.212 284 A C 2.371 179.942 177.584 -0.021 0.000 1.189 284 A CA 0.662 52.688 52.037 -0.018 0.000 0.639 284 A CB -0.118 18.903 19.000 0.035 0.000 0.839 284 A HN 0.293 nan 8.150 nan 0.000 0.449 285 R N -1.174 119.300 120.500 -0.043 0.000 2.156 285 R HA 0.097 4.437 4.340 -0.000 0.000 0.207 285 R C 1.865 178.125 176.300 -0.067 0.000 1.040 285 R CA 0.835 56.928 56.100 -0.012 0.000 1.013 285 R CB -0.464 29.846 30.300 0.016 0.000 0.931 285 R HN 0.289 nan 8.270 nan 0.000 0.465 286 V N 1.986 121.752 119.914 -0.246 0.000 2.469 286 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 286 V C 2.431 178.385 176.094 -0.234 0.000 1.064 286 V CA 1.744 63.841 62.300 -0.340 0.000 1.066 286 V CB -0.452 30.853 31.823 -0.863 0.000 0.667 286 V HN 0.268 nan 8.190 nan 0.000 0.461 287 R N -1.618 118.749 120.500 -0.222 0.000 2.081 287 R HA -0.215 4.124 4.340 -0.000 0.000 0.235 287 R C 2.046 178.224 176.300 -0.203 0.000 1.131 287 R CA 2.440 58.400 56.100 -0.232 0.000 0.960 287 R CB -0.416 29.730 30.300 -0.256 0.000 0.856 287 R HN 0.657 nan 8.270 nan 0.000 0.436 288 W N 0.399 121.647 121.300 -0.087 0.000 2.658 288 W HA 0.076 4.735 4.660 -0.001 0.000 0.263 288 W C 1.767 178.257 176.519 -0.048 0.000 1.274 288 W CA 0.147 57.458 57.345 -0.057 0.000 1.343 288 W CB 0.164 29.598 29.460 -0.044 0.000 1.106 288 W HN 0.068 nan 8.180 nan 0.000 0.615 289 L N -0.661 120.657 121.223 0.158 0.000 2.376 289 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 289 L C 1.691 178.593 176.870 0.054 0.000 1.133 289 L CA 0.401 55.300 54.840 0.097 0.000 0.816 289 L CB -0.539 41.553 42.059 0.054 0.000 0.933 289 L HN -0.126 nan 8.230 nan 0.000 0.449 290 V N -0.654 119.264 119.914 0.007 0.000 3.307 290 V HA -0.046 4.074 4.120 -0.000 0.000 0.253 290 V C 2.072 178.151 176.094 -0.024 0.000 1.149 290 V CA 0.775 63.063 62.300 -0.021 0.000 1.112 290 V CB 0.467 32.251 31.823 -0.066 0.000 0.777 290 V HN 0.262 nan 8.190 nan 0.000 0.464 291 I N -0.633 119.916 120.570 -0.034 0.000 2.277 291 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 291 I C 2.216 178.382 176.117 0.081 0.000 1.094 291 I CA 1.116 62.397 61.300 -0.031 0.000 1.393 291 I CB -0.207 37.693 38.000 -0.167 0.000 1.078 291 I HN 0.240 nan 8.210 nan 0.000 0.417 292 L N 0.060 121.385 121.223 0.169 0.000 2.141 292 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 292 L C 2.204 179.125 176.870 0.086 0.000 1.094 292 L CA 1.699 56.632 54.840 0.155 0.000 0.763 292 L CB -0.637 41.526 42.059 0.173 0.000 0.908 292 L HN 0.159 nan 8.230 nan 0.000 0.437 293 I N -1.689 118.921 120.570 0.066 0.000 2.500 293 I HA -0.150 4.020 4.170 -0.000 0.000 0.252 293 I C 2.116 178.255 176.117 0.036 0.000 1.142 293 I CA 0.715 62.043 61.300 0.047 0.000 1.451 293 I CB -0.492 37.533 38.000 0.042 0.000 1.093 293 I HN 0.085 nan 8.210 nan 0.000 0.430 294 L N -0.013 121.228 121.223 0.030 0.000 2.042 294 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 294 L C 2.487 179.373 176.870 0.027 0.000 1.076 294 L CA 1.977 56.830 54.840 0.021 0.000 0.749 294 L CB -1.392 40.672 42.059 0.008 0.000 0.893 294 L HN 0.215 nan 8.230 nan 0.000 0.432 295 T N -1.253 113.324 114.554 0.038 0.000 2.770 295 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 295 T C 1.697 176.418 174.700 0.036 0.000 1.039 295 T CA 1.188 63.313 62.100 0.040 0.000 1.142 295 T CB -0.658 68.244 68.868 0.057 0.000 0.868 295 T HN 0.493 nan 8.240 nan 0.000 0.435 296 G N 0.683 109.507 108.800 0.039 0.000 2.586 296 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 296 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 296 G C 1.420 176.338 174.900 0.029 0.000 1.128 296 G CA 0.282 45.402 45.100 0.033 0.000 0.774 296 G HN 0.405 nan 8.290 nan 0.000 0.543 297 M N -0.195 119.422 119.600 0.028 0.000 2.236 297 M HA 0.022 4.502 4.480 -0.000 0.000 0.266 297 M C 2.521 178.836 176.300 0.026 0.000 1.070 297 M CA 0.480 55.795 55.300 0.026 0.000 1.137 297 M CB 0.031 32.645 32.600 0.024 0.000 1.378 297 M HN 0.067 nan 8.290 nan 0.000 0.426 298 V N 0.146 120.075 119.914 0.026 0.000 2.636 298 V HA -0.316 3.804 4.120 -0.000 0.000 0.258 298 V C 2.289 178.399 176.094 0.027 0.000 1.092 298 V CA 2.125 64.441 62.300 0.026 0.000 1.110 298 V CB -1.088 30.750 31.823 0.025 0.000 0.685 298 V HN 0.536 nan 8.190 nan 0.000 0.481 299 T N -1.326 113.242 114.554 0.024 0.000 2.812 299 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 299 T C 2.189 176.903 174.700 0.023 0.000 1.042 299 T CA 1.718 63.829 62.100 0.020 0.000 1.140 299 T CB -0.070 68.809 68.868 0.019 0.000 0.870 299 T HN 0.543 nan 8.240 nan 0.000 0.445 300 S N 0.695 116.411 115.700 0.026 0.000 2.344 300 S HA -0.127 4.343 4.470 -0.000 0.000 0.217 300 S C 2.316 176.938 174.600 0.037 0.000 1.033 300 S CA 1.627 59.845 58.200 0.029 0.000 1.017 300 S CB -0.740 62.476 63.200 0.026 0.000 0.941 300 S HN 0.622 nan 8.310 nan 0.000 0.430 301 S N 1.304 117.026 115.700 0.038 0.000 2.381 301 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 301 S C 1.834 176.478 174.600 0.072 0.000 1.052 301 S CA 1.421 59.649 58.200 0.047 0.000 1.068 301 S CB -0.555 62.669 63.200 0.040 0.000 0.918 301 S HN 0.329 nan 8.310 nan 0.000 0.448 302 I N 1.456 122.068 120.570 0.070 0.000 2.264 302 I HA -0.097 4.073 4.170 -0.000 0.000 0.248 302 I C 2.348 178.537 176.117 0.121 0.000 1.111 302 I CA 1.145 62.504 61.300 0.097 0.000 1.382 302 I CB -1.273 36.745 38.000 0.030 0.000 1.060 302 I HN 0.409 nan 8.210 nan 0.000 0.418 303 L N -0.351 120.911 121.223 0.064 0.000 2.056 303 L HA -0.220 4.119 4.340 -0.000 0.000 0.207 303 L C 2.652 179.589 176.870 0.111 0.000 1.078 303 L CA 1.065 55.942 54.840 0.060 0.000 0.749 303 L CB -0.442 41.634 42.059 0.028 0.000 0.901 303 L HN 0.290 nan 8.230 nan 0.000 0.433 304 Q N -0.355 119.498 119.800 0.090 0.000 2.084 304 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 304 Q C 2.221 178.275 176.000 0.089 0.000 0.978 304 Q CA 1.704 57.550 55.803 0.071 0.000 0.844 304 Q CB -0.672 28.094 28.738 0.046 0.000 0.898 304 Q HN 0.583 nan 8.270 nan 0.000 0.426 305 G N 0.122 109.003 108.800 0.134 0.000 2.469 305 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 305 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 305 G C 0.452 175.346 174.900 -0.010 0.000 1.136 305 G CA 0.456 45.603 45.100 0.080 0.000 0.759 305 G HN 0.243 nan 8.290 nan 0.000 0.562 306 F N 1.053 120.986 119.950 -0.029 0.000 2.987 306 F HA 0.282 4.808 4.527 -0.000 0.000 0.302 306 F C 1.625 177.397 175.800 -0.046 0.000 1.221 306 F CA -0.748 57.226 58.000 -0.042 0.000 1.307 306 F CB 0.316 39.281 39.000 -0.059 0.000 1.108 306 F HN 0.419 nan 8.300 nan 0.000 0.521 307 E N -1.762 118.482 120.200 0.074 0.000 2.318 307 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 307 E C 1.597 178.202 176.600 0.008 0.000 0.998 307 E CA 0.790 57.211 56.400 0.036 0.000 0.859 307 E CB -0.046 29.666 29.700 0.020 0.000 0.812 307 E HN 0.180 nan 8.360 nan 0.000 0.492 308 S N 0.935 116.629 115.700 -0.010 0.000 2.356 308 S HA -0.122 4.347 4.470 -0.000 0.000 0.223 308 S C 2.011 176.607 174.600 -0.007 0.000 1.032 308 S CA 1.422 59.610 58.200 -0.020 0.000 1.005 308 S CB -0.143 63.031 63.200 -0.044 0.000 0.867 308 S HN 0.205 nan 8.310 nan 0.000 0.449 309 V N 1.277 121.198 119.914 0.012 0.000 2.719 309 V HA 0.006 4.126 4.120 -0.000 0.000 0.252 309 V C 1.873 177.966 176.094 -0.001 0.000 1.065 309 V CA 0.960 63.272 62.300 0.019 0.000 1.086 309 V CB -0.562 31.300 31.823 0.066 0.000 0.700 309 V HN 0.305 nan 8.190 nan 0.000 0.467 310 L N -0.203 121.022 121.223 0.002 0.000 2.341 310 L HA 0.050 4.390 4.340 -0.000 0.000 0.214 310 L C 2.281 179.125 176.870 -0.042 0.000 1.115 310 L CA 1.439 56.260 54.840 -0.032 0.000 0.820 310 L CB -0.775 41.271 42.059 -0.022 0.000 0.944 310 L HN 0.410 nan 8.230 nan 0.000 0.452 311 E N -0.374 119.813 120.200 -0.022 0.000 2.042 311 E HA -0.107 4.242 4.350 -0.000 0.000 0.189 311 E C 2.130 178.722 176.600 -0.014 0.000 0.974 311 E CA 0.867 57.256 56.400 -0.020 0.000 0.806 311 E CB 0.238 29.931 29.700 -0.012 0.000 0.769 311 E HN 0.335 nan 8.360 nan 0.000 0.451 312 A N 1.440 124.255 122.820 -0.008 0.000 1.829 312 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 312 A C 1.485 179.073 177.584 0.007 0.000 1.207 312 A CA 1.508 53.545 52.037 0.001 0.000 0.622 312 A CB -0.806 18.195 19.000 0.002 0.000 0.846 312 A HN 0.244 nan 8.150 nan 0.000 0.447 313 V N 0.170 120.088 119.914 0.007 0.000 2.348 313 V HA 0.397 4.517 4.120 -0.000 0.000 0.270 313 V C 0.970 177.054 176.094 -0.018 0.000 1.037 313 V CA 0.493 62.807 62.300 0.023 0.000 0.872 313 V CB 0.745 32.595 31.823 0.045 0.000 1.002 313 V HN 0.535 nan 8.190 nan 0.000 0.464 314 T N 5.427 119.967 114.554 -0.024 0.000 2.942 314 T HA 0.018 4.367 4.350 -0.000 0.000 0.265 314 T C 1.917 176.382 174.700 -0.391 0.000 1.062 314 T CA 1.656 63.657 62.100 -0.165 0.000 1.139 314 T CB 0.012 68.825 68.868 -0.091 0.000 0.883 314 T HN 0.983 nan 8.240 nan 0.000 0.468 315 A N 1.438 124.218 122.820 -0.067 0.000 1.978 315 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 315 A C 2.211 179.800 177.584 0.007 0.000 1.170 315 A CA 1.063 53.154 52.037 0.090 0.000 0.636 315 A CB -0.853 18.395 19.000 0.413 0.000 0.810 315 A HN 0.495 nan 8.150 nan 0.000 0.448 316 L N -0.996 120.250 121.223 0.038 0.000 2.051 316 L HA -0.316 4.024 4.340 -0.000 0.000 0.214 316 L C 3.001 179.966 176.870 0.159 0.000 1.076 316 L CA 1.473 56.395 54.840 0.137 0.000 0.758 316 L CB -0.527 41.508 42.059 -0.039 0.000 0.890 316 L HN 0.493 nan 8.230 nan 0.000 0.433 317 A N -0.917 121.841 122.820 -0.104 0.000 2.067 317 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 317 A C 1.975 179.520 177.584 -0.065 0.000 1.156 317 A CA 0.652 52.636 52.037 -0.087 0.000 0.683 317 A CB -0.693 18.185 19.000 -0.202 0.000 0.808 317 A HN 0.379 nan 8.150 nan 0.000 0.455 318 F N -2.082 117.813 119.950 -0.092 0.000 2.408 318 F HA -0.172 4.354 4.527 -0.001 0.000 0.300 318 F C 1.468 177.019 175.800 -0.414 0.000 1.090 318 F CA 0.818 58.629 58.000 -0.314 0.000 1.427 318 F CB -0.170 38.493 39.000 -0.562 0.000 1.070 318 F HN 0.346 nan 8.300 nan 0.000 0.549 319 Y N -2.447 117.950 120.300 0.161 0.000 2.481 319 Y HA 0.102 4.652 4.550 -0.001 0.000 0.247 319 Y C 1.722 177.602 175.900 -0.034 0.000 1.151 319 Y CA -0.371 57.758 58.100 0.047 0.000 1.238 319 Y CB 0.051 38.511 38.460 -0.000 0.000 1.179 319 Y HN -0.214 nan 8.280 nan 0.000 0.524 320 V N 2.016 122.020 119.914 0.150 0.000 2.295 320 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 320 V C -0.305 175.812 176.094 0.039 0.000 1.049 320 V CA 1.927 64.282 62.300 0.093 0.000 1.024 320 V CB -1.593 30.308 31.823 0.129 0.000 0.648 320 V HN 0.268 nan 8.190 nan 0.000 0.447 321 P HA -0.133 nan 4.420 nan 0.000 0.210 321 P C 1.847 179.161 177.300 0.025 0.000 1.185 321 P CA 1.793 64.914 63.100 0.034 0.000 0.924 321 P CB -0.277 31.446 31.700 0.038 0.000 0.786 322 V N -0.543 119.396 119.914 0.043 0.000 2.568 322 V HA -0.194 3.926 4.120 -0.000 0.000 0.253 322 V C 2.679 178.772 176.094 -0.002 0.000 1.072 322 V CA 1.387 63.709 62.300 0.036 0.000 1.084 322 V CB -1.289 30.583 31.823 0.081 0.000 0.676 322 V HN 0.005 nan 8.190 nan 0.000 0.469 323 L N -0.772 120.428 121.223 -0.038 0.000 2.071 323 L HA 0.084 4.424 4.340 -0.000 0.000 0.201 323 L C 2.111 178.935 176.870 -0.077 0.000 1.076 323 L CA 1.582 56.351 54.840 -0.120 0.000 0.755 323 L CB -0.689 41.177 42.059 -0.321 0.000 0.915 323 L HN 0.172 nan 8.230 nan 0.000 0.445 324 L N -0.194 120.997 121.223 -0.054 0.000 2.079 324 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 324 L C 2.272 179.139 176.870 -0.006 0.000 1.081 324 L CA 2.005 56.835 54.840 -0.017 0.000 0.752 324 L CB -1.221 40.841 42.059 0.006 0.000 0.896 324 L HN 0.386 nan 8.230 nan 0.000 0.433 325 G N -2.772 106.025 108.800 -0.005 0.000 2.394 325 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.215 325 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.215 325 G C 1.456 176.354 174.900 -0.004 0.000 1.165 325 G CA 0.916 46.016 45.100 -0.001 0.000 0.784 325 G HN 0.347 nan 8.290 nan 0.000 0.535 326 T N 0.924 115.474 114.554 -0.007 0.000 3.098 326 T HA 0.070 4.420 4.350 -0.000 0.000 0.266 326 T C 2.254 176.952 174.700 -0.004 0.000 1.145 326 T CA 1.015 63.111 62.100 -0.006 0.000 1.092 326 T CB -0.093 68.770 68.868 -0.008 0.000 0.908 326 T HN 0.335 nan 8.240 nan 0.000 0.526 327 G N 1.024 109.823 108.800 -0.002 0.000 2.404 327 G HA2 0.054 4.014 3.960 -0.000 0.000 0.213 327 G HA3 0.054 4.014 3.960 -0.000 0.000 0.213 327 G C 1.723 176.625 174.900 0.004 0.000 1.189 327 G CA 0.628 45.733 45.100 0.009 0.000 0.796 327 G HN 0.501 nan 8.290 nan 0.000 0.532 328 G N 0.954 109.754 108.800 -0.000 0.000 2.422 328 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 328 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 328 G C 1.719 176.611 174.900 -0.013 0.000 1.140 328 G CA 1.112 46.208 45.100 -0.006 0.000 0.775 328 G HN 0.367 nan 8.290 nan 0.000 0.545 329 N N 0.581 119.273 118.700 -0.012 0.000 2.084 329 N HA -0.084 4.656 4.740 -0.000 0.000 0.190 329 N C 2.319 177.818 175.510 -0.019 0.000 1.030 329 N CA 1.603 54.644 53.050 -0.015 0.000 0.849 329 N CB -0.906 37.574 38.487 -0.012 0.000 1.012 329 N HN 0.175 nan 8.380 nan 0.000 0.423 330 T N -0.149 114.395 114.554 -0.017 0.000 2.720 330 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 330 T C 1.848 176.530 174.700 -0.031 0.000 1.037 330 T CA 1.503 63.589 62.100 -0.024 0.000 1.144 330 T CB -0.709 68.147 68.868 -0.020 0.000 0.864 330 T HN 0.445 nan 8.240 nan 0.000 0.444 331 G N 1.430 110.216 108.800 -0.024 0.000 2.408 331 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 331 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 331 G C 1.645 176.528 174.900 -0.028 0.000 1.150 331 G CA 0.571 45.656 45.100 -0.026 0.000 0.776 331 G HN 0.369 nan 8.290 nan 0.000 0.542 332 N N 0.731 119.414 118.700 -0.029 0.000 2.006 332 N HA -0.113 4.627 4.740 -0.000 0.000 0.196 332 N C 2.342 177.834 175.510 -0.031 0.000 1.057 332 N CA 1.298 54.328 53.050 -0.033 0.000 0.853 332 N CB -0.723 37.744 38.487 -0.033 0.000 1.051 332 N HN 0.390 nan 8.380 nan 0.000 0.423 333 Q N 0.025 119.808 119.800 -0.029 0.000 2.142 333 Q HA -0.222 4.118 4.340 -0.000 0.000 0.213 333 Q C 2.094 178.079 176.000 -0.026 0.000 1.004 333 Q CA 2.392 58.179 55.803 -0.027 0.000 0.883 333 Q CB -0.331 28.391 28.738 -0.028 0.000 0.939 333 Q HN 0.572 nan 8.270 nan 0.000 0.413 334 S N -0.548 115.134 115.700 -0.030 0.000 2.414 334 S HA 0.055 4.525 4.470 -0.000 0.000 0.227 334 S C 2.060 176.657 174.600 -0.005 0.000 1.022 334 S CA 0.611 58.796 58.200 -0.026 0.000 0.958 334 S CB -0.053 63.116 63.200 -0.051 0.000 0.797 334 S HN 0.394 nan 8.310 nan 0.000 0.493 335 A N 1.697 124.511 122.820 -0.011 0.000 1.873 335 A HA 0.034 4.353 4.320 -0.000 0.000 0.215 335 A C 2.403 179.979 177.584 -0.013 0.000 1.186 335 A CA 1.944 53.979 52.037 -0.003 0.000 0.616 335 A CB -1.726 17.263 19.000 -0.018 0.000 0.823 335 A HN 0.508 nan 8.150 nan 0.000 0.442 336 T N 0.332 114.872 114.554 -0.024 0.000 2.607 336 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 336 T C 1.758 176.447 174.700 -0.019 0.000 1.049 336 T CA 1.550 63.633 62.100 -0.027 0.000 1.162 336 T CB -0.368 68.483 68.868 -0.029 0.000 0.863 336 T HN 0.214 nan 8.240 nan 0.000 0.424 337 L N 0.656 121.872 121.223 -0.012 0.000 2.261 337 L HA -0.054 4.286 4.340 -0.000 0.000 0.216 337 L C 1.839 178.713 176.870 0.007 0.000 1.114 337 L CA 1.539 56.377 54.840 -0.005 0.000 0.777 337 L CB -0.791 41.266 42.059 -0.003 0.000 0.910 337 L HN 0.326 nan 8.230 nan 0.000 0.440 338 I N -1.505 119.074 120.570 0.014 0.000 3.339 338 I HA -0.063 4.106 4.170 -0.000 0.000 0.285 338 I C 2.389 178.477 176.117 -0.048 0.000 1.201 338 I CA 0.488 61.804 61.300 0.026 0.000 1.434 338 I CB -0.432 37.641 38.000 0.120 0.000 1.152 338 I HN 0.080 nan 8.210 nan 0.000 0.443 339 I N 0.915 121.458 120.570 -0.046 0.000 2.335 339 I HA -0.318 3.851 4.170 -0.000 0.000 0.251 339 I C 2.478 178.553 176.117 -0.069 0.000 1.129 339 I CA 1.321 62.580 61.300 -0.069 0.000 1.402 339 I CB -0.230 37.738 38.000 -0.054 0.000 1.069 339 I HN 0.168 nan 8.210 nan 0.000 0.424 340 R N 0.754 121.224 120.500 -0.050 0.000 2.066 340 R HA 0.138 4.478 4.340 -0.000 0.000 0.224 340 R C 2.330 178.603 176.300 -0.046 0.000 1.122 340 R CA 1.177 57.251 56.100 -0.043 0.000 0.974 340 R CB -1.207 29.074 30.300 -0.031 0.000 0.871 340 R HN 0.244 nan 8.270 nan 0.000 0.435 341 A N 0.804 123.599 122.820 -0.040 0.000 2.084 341 A HA -0.139 4.181 4.320 -0.000 0.000 0.221 341 A C 1.961 179.506 177.584 -0.065 0.000 1.161 341 A CA 1.334 53.349 52.037 -0.036 0.000 0.653 341 A CB -0.623 18.372 19.000 -0.009 0.000 0.802 341 A HN 0.213 nan 8.150 nan 0.000 0.457 342 L N -1.785 119.376 121.223 -0.103 0.000 2.168 342 L HA 0.008 4.348 4.340 -0.000 0.000 0.203 342 L C 3.022 179.840 176.870 -0.087 0.000 1.078 342 L CA 0.808 55.569 54.840 -0.133 0.000 0.780 342 L CB -0.488 41.449 42.059 -0.203 0.000 0.939 342 L HN 0.368 nan 8.230 nan 0.000 0.451 343 A N -0.656 122.121 122.820 -0.071 0.000 1.930 343 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 343 A C 2.169 179.728 177.584 -0.042 0.000 1.175 343 A CA 1.938 53.944 52.037 -0.051 0.000 0.627 343 A CB -0.705 18.269 19.000 -0.044 0.000 0.815 343 A HN 0.314 nan 8.150 nan 0.000 0.443 344 T N -0.444 114.086 114.554 -0.041 0.000 3.148 344 T HA 0.061 4.411 4.350 -0.000 0.000 0.253 344 T C 0.446 175.125 174.700 -0.035 0.000 1.134 344 T CA 0.344 62.424 62.100 -0.035 0.000 1.051 344 T CB -0.174 68.676 68.868 -0.031 0.000 0.959 344 T HN 0.497 nan 8.240 nan 0.000 0.525 345 R N 0.533 121.009 120.500 -0.040 0.000 4.000 345 R HA -0.206 4.134 4.340 -0.000 0.000 0.348 345 R C 0.741 177.024 176.300 -0.027 0.000 1.204 345 R CA 1.163 57.242 56.100 -0.035 0.000 0.987 345 R CB -2.219 28.062 30.300 -0.031 0.000 1.446 345 R HN 0.447 nan 8.270 nan 0.000 0.555 346 D N 0.329 120.714 120.400 -0.026 0.000 2.219 346 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 346 D C 0.504 176.806 176.300 0.003 0.000 0.970 346 D CA 1.091 55.083 54.000 -0.013 0.000 0.851 346 D CB 0.294 41.086 40.800 -0.012 0.000 0.943 346 D HN 0.361 nan 8.370 nan 0.000 0.488 347 L N 0.087 121.308 121.223 -0.003 0.000 2.381 347 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 347 L C -0.701 176.168 176.870 -0.003 0.000 0.997 347 L CA -0.971 53.887 54.840 0.030 0.000 0.818 347 L CB 2.196 44.291 42.059 0.060 0.000 1.310 347 L HN -0.183 nan 8.230 nan 0.000 0.416 348 D N 0.568 121.005 120.400 0.061 0.000 2.423 348 D HA 0.228 4.868 4.640 -0.000 0.000 0.235 348 D C 0.415 176.818 176.300 0.172 0.000 1.011 348 D CA -0.603 53.429 54.000 0.054 0.000 0.963 348 D CB 2.121 42.954 40.800 0.056 0.000 1.349 348 D HN 0.292 nan 8.370 nan 0.000 0.508 349 L N 2.363 123.676 121.223 0.150 0.000 2.261 349 L HA -0.070 4.269 4.340 -0.000 0.000 0.216 349 L C 2.210 179.362 176.870 0.469 0.000 1.114 349 L CA 2.259 57.288 54.840 0.316 0.000 0.777 349 L CB -0.776 41.392 42.059 0.182 0.000 0.910 349 L HN 0.530 nan 8.230 nan 0.000 0.440 350 R N -1.029 119.650 120.500 0.299 0.000 2.339 350 R HA -0.013 4.326 4.340 -0.000 0.000 0.199 350 R C 1.486 177.883 176.300 0.161 0.000 1.018 350 R CA 1.422 57.662 56.100 0.234 0.000 1.036 350 R CB -1.232 29.143 30.300 0.125 0.000 0.899 350 R HN 0.488 nan 8.270 nan 0.000 0.473 351 D N -0.996 119.569 120.400 0.275 0.000 2.367 351 D HA -0.044 4.596 4.640 -0.000 0.000 0.207 351 D C 1.900 178.166 176.300 -0.058 0.000 1.034 351 D CA 0.326 54.410 54.000 0.140 0.000 0.861 351 D CB -0.224 40.725 40.800 0.247 0.000 0.943 351 D HN 0.730 nan 8.370 nan 0.000 0.515 352 W N 3.116 124.300 121.300 -0.194 0.000 2.304 352 W HA -0.273 4.386 4.660 -0.001 0.000 0.315 352 W C 1.295 177.604 176.519 -0.350 0.000 1.233 352 W CA 1.055 57.884 57.345 -0.859 0.000 1.261 352 W CB -1.031 28.044 29.460 -0.642 0.000 1.150 352 W HN 0.031 nan 8.180 nan 0.000 0.494 353 R N 0.864 120.421 120.500 -1.572 0.000 2.341 353 R HA 0.034 4.374 4.340 -0.000 0.000 0.213 353 R C 2.399 178.340 176.300 -0.598 0.000 1.082 353 R CA 1.831 57.025 56.100 -1.510 0.000 1.017 353 R CB -1.013 28.249 30.300 -1.730 0.000 0.860 353 R HN 0.355 nan 8.270 nan 0.000 0.473 354 R N 1.012 121.278 120.500 -0.389 0.000 2.164 354 R HA 0.191 4.530 4.340 -0.000 0.000 0.198 354 R C 2.208 178.446 176.300 -0.102 0.000 1.028 354 R CA 0.635 56.619 56.100 -0.192 0.000 1.083 354 R CB -0.927 29.286 30.300 -0.145 0.000 1.026 354 R HN 0.074 nan 8.270 nan 0.000 0.514 355 V N 0.665 120.509 119.914 -0.116 0.000 2.324 355 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 355 V C 2.183 178.244 176.094 -0.054 0.000 1.060 355 V CA 2.324 64.579 62.300 -0.075 0.000 1.042 355 V CB -0.714 31.037 31.823 -0.120 0.000 0.650 355 V HN 0.571 nan 8.190 nan 0.000 0.450 356 F N -0.245 119.594 119.950 -0.185 0.000 2.015 356 F HA -0.275 4.252 4.527 -0.001 0.000 0.297 356 F C 2.288 178.021 175.800 -0.112 0.000 1.141 356 F CA 1.952 59.877 58.000 -0.124 0.000 1.192 356 F CB -0.273 38.675 39.000 -0.086 0.000 0.957 356 F HN -0.015 nan 8.300 nan 0.000 0.491 357 L N 0.499 121.865 121.223 0.237 0.000 1.976 357 L HA -0.366 3.973 4.340 -0.000 0.000 0.223 357 L C 2.474 179.364 176.870 0.033 0.000 1.081 357 L CA 2.680 57.594 54.840 0.123 0.000 0.784 357 L CB -1.415 40.661 42.059 0.029 0.000 0.896 357 L HN 0.271 nan 8.230 nan 0.000 0.438 358 K N 0.044 120.440 120.400 -0.007 0.000 2.020 358 K HA -0.262 4.057 4.320 -0.000 0.000 0.212 358 K C 1.979 178.543 176.600 -0.059 0.000 1.050 358 K CA 1.942 58.212 56.287 -0.028 0.000 0.929 358 K CB -0.119 32.365 32.500 -0.027 0.000 0.714 358 K HN 0.022 nan 8.250 nan 0.000 0.443 359 E N 0.321 120.458 120.200 -0.104 0.000 2.347 359 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 359 E C 1.752 178.197 176.600 -0.257 0.000 1.008 359 E CA 0.965 57.265 56.400 -0.167 0.000 0.852 359 E CB -0.054 29.529 29.700 -0.194 0.000 0.783 359 E HN 0.505 nan 8.360 nan 0.000 0.505 360 M N -1.672 117.776 119.600 -0.253 0.000 2.193 360 M HA 0.051 4.531 4.480 -0.000 0.000 0.265 360 M C 1.766 178.058 176.300 -0.014 0.000 1.071 360 M CA 1.801 56.922 55.300 -0.298 0.000 1.140 360 M CB 0.017 32.544 32.600 -0.122 0.000 1.369 360 M HN 0.111 nan 8.290 nan 0.000 0.423 361 G N -0.563 108.252 108.800 0.025 0.000 2.848 361 G HA2 0.077 4.037 3.960 -0.000 0.000 0.208 361 G HA3 0.077 4.037 3.960 -0.000 0.000 0.208 361 G C 1.049 175.961 174.900 0.021 0.000 1.152 361 G CA 0.336 45.471 45.100 0.059 0.000 0.789 361 G HN 0.387 nan 8.290 nan 0.000 0.531 362 V N 0.340 120.238 119.914 -0.026 0.000 2.949 362 V HA 0.138 4.257 4.120 -0.000 0.000 0.245 362 V C 2.863 178.936 176.094 -0.034 0.000 1.086 362 V CA 1.447 63.725 62.300 -0.037 0.000 1.097 362 V CB 0.153 31.940 31.823 -0.061 0.000 0.762 362 V HN 0.346 nan 8.190 nan 0.000 0.470 363 G N -0.192 108.566 108.800 -0.069 0.000 2.404 363 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 363 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 363 G C 1.606 176.582 174.900 0.127 0.000 1.189 363 G CA 0.870 45.944 45.100 -0.044 0.000 0.789 363 G HN 0.374 nan 8.290 nan 0.000 0.533 364 L N 0.001 121.398 121.223 0.289 0.000 2.034 364 L HA -0.139 4.201 4.340 -0.000 0.000 0.217 364 L C 2.885 179.799 176.870 0.072 0.000 1.077 364 L CA 1.416 56.377 54.840 0.201 0.000 0.769 364 L CB -0.191 41.955 42.059 0.145 0.000 0.890 364 L HN 0.227 nan 8.230 nan 0.000 0.435 365 L N -0.867 120.383 121.223 0.046 0.000 2.141 365 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 365 L C 2.468 179.341 176.870 0.006 0.000 1.094 365 L CA 0.911 55.758 54.840 0.011 0.000 0.763 365 L CB -0.218 41.840 42.059 -0.002 0.000 0.908 365 L HN 0.353 nan 8.230 nan 0.000 0.437 366 L N -1.010 120.220 121.223 0.012 0.000 2.217 366 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 366 L C 2.495 179.376 176.870 0.018 0.000 1.107 366 L CA 0.953 55.796 54.840 0.005 0.000 0.783 366 L CB -0.726 41.329 42.059 -0.006 0.000 0.919 366 L HN 0.280 nan 8.230 nan 0.000 0.442 367 G N 0.126 108.947 108.800 0.036 0.000 2.464 367 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.214 367 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.214 367 G C 1.531 176.451 174.900 0.033 0.000 1.218 367 G CA 0.368 45.492 45.100 0.040 0.000 0.794 367 G HN 0.187 nan 8.290 nan 0.000 0.542 368 L N 0.574 121.813 121.223 0.026 0.000 2.064 368 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 368 L C 3.148 180.044 176.870 0.043 0.000 1.077 368 L CA 1.903 56.760 54.840 0.028 0.000 0.766 368 L CB -1.022 41.038 42.059 0.001 0.000 0.890 368 L HN 0.224 nan 8.230 nan 0.000 0.435 369 T N 0.013 114.577 114.554 0.017 0.000 2.701 369 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 369 T C 1.902 176.644 174.700 0.070 0.000 1.040 369 T CA 1.225 63.332 62.100 0.012 0.000 1.147 369 T CB -0.193 68.668 68.868 -0.013 0.000 0.865 369 T HN 0.224 nan 8.240 nan 0.000 0.426 370 L N 0.705 121.959 121.223 0.051 0.000 2.313 370 L HA 0.034 4.373 4.340 -0.000 0.000 0.214 370 L C 2.697 179.600 176.870 0.055 0.000 1.119 370 L CA 0.534 55.403 54.840 0.049 0.000 0.809 370 L CB -0.373 41.700 42.059 0.023 0.000 0.933 370 L HN 0.216 nan 8.230 nan 0.000 0.449 371 S N 0.030 115.769 115.700 0.065 0.000 2.362 371 S HA -0.130 4.340 4.470 -0.000 0.000 0.221 371 S C 1.767 176.409 174.600 0.070 0.000 1.032 371 S CA 0.762 58.989 58.200 0.045 0.000 0.973 371 S CB -0.352 62.871 63.200 0.038 0.000 0.849 371 S HN 0.370 nan 8.310 nan 0.000 0.465 372 F N 1.905 121.839 119.950 -0.027 0.000 2.287 372 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 372 F C 1.581 177.368 175.800 -0.023 0.000 1.069 372 F CA 1.043 59.027 58.000 -0.027 0.000 1.372 372 F CB -0.100 38.885 39.000 -0.026 0.000 1.056 372 F HN 0.127 nan 8.300 nan 0.000 0.523 373 L N -1.318 119.985 121.223 0.134 0.000 2.221 373 L HA -0.048 4.292 4.340 -0.000 0.000 0.202 373 L C 2.114 178.979 176.870 -0.009 0.000 1.074 373 L CA 0.257 55.136 54.840 0.064 0.000 0.795 373 L CB -0.445 41.668 42.059 0.090 0.000 0.960 373 L HN 0.185 nan 8.230 nan 0.000 0.458 374 L N -0.717 120.499 121.223 -0.011 0.000 2.072 374 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 374 L C 2.324 179.160 176.870 -0.057 0.000 1.079 374 L CA 1.474 56.296 54.840 -0.030 0.000 0.752 374 L CB -0.322 41.706 42.059 -0.051 0.000 0.906 374 L HN -0.102 nan 8.230 nan 0.000 0.436 375 V N 0.456 120.320 119.914 -0.083 0.000 2.370 375 V HA -0.323 3.796 4.120 -0.000 0.000 0.252 375 V C 2.571 178.643 176.094 -0.036 0.000 1.068 375 V CA 2.014 64.260 62.300 -0.089 0.000 1.061 375 V CB -1.545 30.204 31.823 -0.124 0.000 0.656 375 V HN 0.678 nan 8.190 nan 0.000 0.455 376 G N -0.550 108.203 108.800 -0.079 0.000 2.422 376 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.218 376 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.218 376 G C 1.560 176.563 174.900 0.171 0.000 1.146 376 G CA 1.187 46.288 45.100 0.003 0.000 0.769 376 G HN 0.518 nan 8.290 nan 0.000 0.547 377 K N 0.514 120.986 120.400 0.119 0.000 2.007 377 K HA 0.037 4.357 4.320 -0.000 0.000 0.206 377 K C 2.504 179.294 176.600 0.318 0.000 1.047 377 K CA 1.296 57.709 56.287 0.211 0.000 0.937 377 K CB -0.838 31.751 32.500 0.147 0.000 0.718 377 K HN 0.095 nan 8.250 nan 0.000 0.438 378 V N 1.031 121.052 119.914 0.178 0.000 2.250 378 V HA -0.322 3.798 4.120 -0.000 0.000 0.253 378 V C 2.214 178.491 176.094 0.306 0.000 1.065 378 V CA 2.357 64.748 62.300 0.153 0.000 1.039 378 V CB -0.858 30.854 31.823 -0.185 0.000 0.647 378 V HN 0.422 nan 8.190 nan 0.000 0.446 379 Y N -0.326 120.057 120.300 0.139 0.000 2.036 379 Y HA -0.338 4.211 4.550 -0.001 0.000 0.273 379 Y C 2.328 178.346 175.900 0.196 0.000 1.135 379 Y CA 2.031 60.214 58.100 0.138 0.000 1.106 379 Y CB -0.907 37.600 38.460 0.078 0.000 0.976 379 Y HN 0.343 nan 8.280 nan 0.000 0.483 380 W N 1.760 123.059 121.300 -0.001 0.000 2.389 380 W HA -0.239 4.420 4.660 -0.000 0.000 0.267 380 W C 1.779 178.267 176.519 -0.052 0.000 1.219 380 W CA 1.953 59.240 57.345 -0.096 0.000 1.189 380 W CB -0.272 29.218 29.460 0.050 0.000 1.129 380 W HN 0.220 nan 8.180 nan 0.000 0.581 381 D N -0.620 119.924 120.400 0.239 0.000 2.277 381 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 381 D C 1.834 178.178 176.300 0.073 0.000 0.962 381 D CA 1.796 55.916 54.000 0.200 0.000 0.865 381 D CB -0.243 40.802 40.800 0.409 0.000 0.939 381 D HN 0.214 nan 8.370 nan 0.000 0.510 382 G N 0.318 109.106 108.800 -0.020 0.000 2.145 382 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.176 382 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.176 382 G C -0.275 174.427 174.900 -0.330 0.000 1.013 382 G CA -0.216 44.737 45.100 -0.245 0.000 0.689 382 G HN 0.419 nan 8.290 nan 0.000 0.506 383 H N -0.345 118.743 119.070 0.031 0.000 2.535 383 H HA 0.333 4.889 4.556 -0.000 0.000 0.232 383 H C -1.536 173.861 175.328 0.115 0.000 1.405 383 H CA -1.060 55.053 56.048 0.109 0.000 1.224 383 H CB 1.117 31.020 29.762 0.235 0.000 1.763 383 H HN 0.198 nan 8.280 nan 0.000 0.529 384 P HA -0.117 nan 4.420 nan 0.000 0.231 384 P C 1.114 178.501 177.300 0.146 0.000 1.158 384 P CA 0.782 63.996 63.100 0.190 0.000 0.763 384 P CB 0.787 32.590 31.700 0.173 0.000 0.805 385 L N -0.372 120.933 121.223 0.136 0.000 2.168 385 L HA 0.056 4.396 4.340 -0.000 0.000 0.203 385 L C 2.111 179.049 176.870 0.113 0.000 1.078 385 L CA 0.761 55.667 54.840 0.109 0.000 0.780 385 L CB -0.322 41.794 42.059 0.096 0.000 0.939 385 L HN -0.062 nan 8.230 nan 0.000 0.451 386 L N -2.176 119.136 121.223 0.149 0.000 2.737 386 L HA 0.122 4.462 4.340 -0.000 0.000 0.236 386 L C 1.678 178.600 176.870 0.087 0.000 1.219 386 L CA 0.107 55.026 54.840 0.132 0.000 1.021 386 L CB -0.044 42.124 42.059 0.181 0.000 1.291 386 L HN 0.185 nan 8.230 nan 0.000 0.470 387 L N 1.256 122.525 121.223 0.076 0.000 2.005 387 L HA 0.060 4.400 4.340 -0.000 0.000 0.207 387 L C -0.211 176.664 176.870 0.009 0.000 1.072 387 L CA 1.315 56.174 54.840 0.031 0.000 0.744 387 L CB -0.956 41.142 42.059 0.065 0.000 0.895 387 L HN 0.250 nan 8.230 nan 0.000 0.433 388 P HA -0.138 nan 4.420 nan 0.000 0.215 388 P C 1.862 179.187 177.300 0.041 0.000 1.153 388 P CA 1.760 64.875 63.100 0.026 0.000 0.853 388 P CB -0.155 31.564 31.700 0.031 0.000 0.788 389 V N 0.690 120.643 119.914 0.065 0.000 2.215 389 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 389 V C 2.797 178.971 176.094 0.134 0.000 1.054 389 V CA 2.325 64.691 62.300 0.109 0.000 1.012 389 V CB -1.839 30.064 31.823 0.134 0.000 0.639 389 V HN -0.071 nan 8.190 nan 0.000 0.448 390 V N 1.005 120.970 119.914 0.085 0.000 2.252 390 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 390 V C 2.683 178.736 176.094 -0.068 0.000 1.056 390 V CA 2.556 64.827 62.300 -0.048 0.000 1.022 390 V CB -1.653 30.011 31.823 -0.266 0.000 0.641 390 V HN 0.662 nan 8.190 nan 0.000 0.445 391 G N -0.376 108.394 108.800 -0.051 0.000 2.545 391 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 391 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 391 G C 1.642 176.539 174.900 -0.004 0.000 1.218 391 G CA 1.301 46.381 45.100 -0.033 0.000 0.787 391 G HN 0.378 nan 8.290 nan 0.000 0.571 392 V N 0.895 120.819 119.914 0.017 0.000 2.688 392 V HA -0.149 3.971 4.120 -0.000 0.000 0.256 392 V C 2.978 179.101 176.094 0.047 0.000 1.084 392 V CA 2.044 64.361 62.300 0.028 0.000 1.103 392 V CB -0.172 31.672 31.823 0.035 0.000 0.688 392 V HN 0.345 nan 8.190 nan 0.000 0.480 393 S N -0.653 115.083 115.700 0.060 0.000 2.461 393 S HA -0.010 4.460 4.470 -0.000 0.000 0.228 393 S C 1.679 176.297 174.600 0.029 0.000 1.005 393 S CA 0.687 58.936 58.200 0.083 0.000 0.942 393 S CB -0.035 63.256 63.200 0.152 0.000 0.776 393 S HN 0.407 nan 8.310 nan 0.000 0.514 394 L N 1.569 122.788 121.223 -0.006 0.000 2.034 394 L HA 0.144 4.483 4.340 -0.000 0.000 0.203 394 L C 1.729 178.619 176.870 0.033 0.000 1.074 394 L CA 1.582 56.419 54.840 -0.006 0.000 0.748 394 L CB -0.916 41.129 42.059 -0.024 0.000 0.905 394 L HN 0.097 nan 8.230 nan 0.000 0.439 395 V N 0.747 120.677 119.914 0.026 0.000 3.519 395 V HA -0.168 3.952 4.120 -0.000 0.000 0.272 395 V C 1.782 177.889 176.094 0.022 0.000 1.238 395 V CA 0.912 63.226 62.300 0.024 0.000 1.194 395 V CB -0.866 30.954 31.823 -0.005 0.000 0.923 395 V HN 0.379 nan 8.190 nan 0.000 0.517 396 L N -1.963 119.306 121.223 0.078 0.000 2.948 396 L HA 0.296 4.636 4.340 -0.000 0.000 0.259 396 L C 1.723 178.750 176.870 0.261 0.000 1.136 396 L CA 0.427 55.355 54.840 0.146 0.000 0.959 396 L CB 0.551 42.701 42.059 0.151 0.000 1.370 396 L HN 0.270 nan 8.230 nan 0.000 0.552 397 I N -0.815 119.860 120.570 0.175 0.000 2.499 397 I HA -0.124 4.046 4.170 -0.000 0.000 0.243 397 I C 2.346 178.546 176.117 0.137 0.000 1.085 397 I CA 0.488 61.886 61.300 0.164 0.000 1.422 397 I CB 0.189 38.237 38.000 0.080 0.000 1.165 397 I HN -0.113 nan 8.210 nan 0.000 0.440 398 V N 1.004 120.973 119.914 0.091 0.000 2.546 398 V HA -0.327 3.793 4.120 -0.000 0.000 0.254 398 V C 2.206 178.337 176.094 0.061 0.000 1.076 398 V CA 2.028 64.364 62.300 0.059 0.000 1.087 398 V CB -0.605 31.245 31.823 0.045 0.000 0.674 398 V HN 0.348 nan 8.190 nan 0.000 0.470 399 F N -0.264 119.643 119.950 -0.072 0.000 2.098 399 F HA -0.087 4.440 4.527 -0.000 0.000 0.294 399 F C 1.979 177.648 175.800 -0.218 0.000 1.107 399 F CA 1.734 59.620 58.000 -0.189 0.000 1.234 399 F CB -0.362 38.461 39.000 -0.296 0.000 1.002 399 F HN 0.137 nan 8.300 nan 0.000 0.472 400 F N -0.150 119.854 119.950 0.091 0.000 2.234 400 F HA 0.005 4.532 4.527 -0.001 0.000 0.296 400 F C 2.483 178.241 175.800 -0.070 0.000 1.089 400 F CA 0.722 58.715 58.000 -0.011 0.000 1.343 400 F CB -0.848 38.208 39.000 0.093 0.000 1.040 400 F HN 0.054 nan 8.300 nan 0.000 0.498 401 A N 0.509 123.409 122.820 0.134 0.000 1.873 401 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 401 A C 1.942 179.512 177.584 -0.025 0.000 1.193 401 A CA 2.298 54.364 52.037 0.049 0.000 0.629 401 A CB -1.141 17.880 19.000 0.035 0.000 0.826 401 A HN 0.423 nan 8.150 nan 0.000 0.447 402 N N -0.211 118.435 118.700 -0.090 0.000 2.002 402 N HA -0.180 4.560 4.740 -0.000 0.000 0.199 402 N C 1.419 176.810 175.510 -0.199 0.000 1.067 402 N CA 2.019 54.972 53.050 -0.160 0.000 0.870 402 N CB -0.611 37.729 38.487 -0.246 0.000 1.073 402 N HN 0.198 nan 8.380 nan 0.000 0.432 403 L N 0.221 121.237 121.223 -0.345 0.000 2.151 403 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 403 L C 2.328 179.104 176.870 -0.157 0.000 1.084 403 L CA 1.054 55.663 54.840 -0.386 0.000 0.764 403 L CB -0.897 40.823 42.059 -0.564 0.000 0.891 403 L HN 0.146 nan 8.230 nan 0.000 0.435 404 V N -0.713 119.172 119.914 -0.048 0.000 2.244 404 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 404 V C 2.515 178.611 176.094 0.004 0.000 1.042 404 V CA 1.918 64.224 62.300 0.011 0.000 1.006 404 V CB -1.389 30.456 31.823 0.038 0.000 0.641 404 V HN 0.547 nan 8.190 nan 0.000 0.446 405 G N -0.523 108.270 108.800 -0.011 0.000 2.479 405 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 405 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 405 G C 1.319 176.230 174.900 0.017 0.000 1.115 405 G CA 0.864 45.962 45.100 -0.004 0.000 0.757 405 G HN 0.654 nan 8.290 nan 0.000 0.560 406 A N -0.465 122.351 122.820 -0.006 0.000 2.337 406 A HA 0.574 4.893 4.320 -0.000 0.000 0.227 406 A C 1.579 179.230 177.584 0.112 0.000 1.259 406 A CA 0.437 52.491 52.037 0.028 0.000 0.870 406 A CB 0.024 18.971 19.000 -0.087 0.000 0.927 406 A HN 0.283 nan 8.150 nan 0.000 0.497 407 M N -1.734 117.945 119.600 0.132 0.000 2.004 407 M HA 0.201 4.681 4.480 -0.000 0.000 0.397 407 M C 0.960 177.362 176.300 0.171 0.000 0.818 407 M CA 0.139 55.552 55.300 0.189 0.000 1.150 407 M CB -0.303 32.365 32.600 0.114 0.000 2.281 407 M HN 0.236 nan 8.290 nan 0.000 0.777 408 L N 2.037 123.326 121.223 0.110 0.000 2.027 408 L HA -0.076 4.263 4.340 -0.000 0.000 0.206 408 L C -0.321 176.589 176.870 0.066 0.000 1.074 408 L CA 2.502 57.383 54.840 0.068 0.000 0.745 408 L CB -1.939 40.142 42.059 0.036 0.000 0.898 408 L HN 0.106 nan 8.230 nan 0.000 0.433 409 P HA -0.230 nan 4.420 nan 0.000 0.214 409 P C 1.858 179.161 177.300 0.005 0.000 1.163 409 P CA 1.529 64.631 63.100 0.004 0.000 0.883 409 P CB -0.270 31.407 31.700 -0.038 0.000 0.788 410 F N -0.643 119.317 119.950 0.016 0.000 2.184 410 F HA -0.199 4.328 4.527 -0.000 0.000 0.301 410 F C 2.473 178.251 175.800 -0.037 0.000 1.076 410 F CA 1.178 59.191 58.000 0.022 0.000 1.295 410 F CB -1.004 38.043 39.000 0.079 0.000 1.026 410 F HN -0.139 nan 8.300 nan 0.000 0.494 411 L N -0.456 120.841 121.223 0.123 0.000 2.127 411 L HA -0.068 4.271 4.340 -0.000 0.000 0.203 411 L C 1.994 178.869 176.870 0.008 0.000 1.080 411 L CA 1.398 56.251 54.840 0.021 0.000 0.768 411 L CB -0.531 41.528 42.059 0.001 0.000 0.924 411 L HN 0.048 nan 8.230 nan 0.000 0.444 412 L N -0.449 120.783 121.223 0.015 0.000 2.079 412 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 412 L C 2.756 179.623 176.870 -0.006 0.000 1.081 412 L CA 1.657 56.500 54.840 0.006 0.000 0.752 412 L CB -0.680 41.385 42.059 0.009 0.000 0.896 412 L HN 0.358 nan 8.230 nan 0.000 0.433 413 R N 0.841 121.330 120.500 -0.018 0.000 2.070 413 R HA -0.205 4.135 4.340 -0.000 0.000 0.233 413 R C 2.420 178.716 176.300 -0.006 0.000 1.137 413 R CA 1.605 57.690 56.100 -0.025 0.000 0.945 413 R CB -0.260 30.006 30.300 -0.058 0.000 0.845 413 R HN 0.098 nan 8.270 nan 0.000 0.430 414 R N -0.049 120.451 120.500 0.000 0.000 2.293 414 R HA -0.026 4.313 4.340 -0.000 0.000 0.219 414 R C 1.416 177.709 176.300 -0.011 0.000 1.091 414 R CA 0.953 57.049 56.100 -0.006 0.000 1.004 414 R CB -0.014 30.265 30.300 -0.035 0.000 0.865 414 R HN 0.330 nan 8.270 nan 0.000 0.469 415 L N -1.437 119.781 121.223 -0.008 0.000 2.616 415 L HA 0.288 4.628 4.340 -0.000 0.000 0.229 415 L C 0.860 177.729 176.870 -0.001 0.000 1.110 415 L CA 0.330 55.166 54.840 -0.005 0.000 0.884 415 L CB 0.759 42.816 42.059 -0.003 0.000 1.115 415 L HN 0.378 nan 8.230 nan 0.000 0.481 416 G N 1.003 109.803 108.800 -0.001 0.000 2.248 416 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.252 416 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.252 416 G C -0.341 174.560 174.900 0.002 0.000 1.085 416 G CA 0.052 45.151 45.100 -0.000 0.000 0.845 416 G HN 0.077 nan 8.290 nan 0.000 0.494 417 V N -0.805 119.110 119.914 0.002 0.000 3.040 417 V HA 0.621 4.741 4.120 -0.000 0.000 0.312 417 V C -0.155 175.941 176.094 0.003 0.000 1.115 417 V CA -1.037 61.269 62.300 0.010 0.000 0.998 417 V CB 2.073 33.909 31.823 0.020 0.000 1.042 417 V HN 0.274 nan 8.190 nan 0.000 0.433 418 D N 3.879 124.286 120.400 0.013 0.000 2.359 418 D HA 0.234 4.874 4.640 -0.000 0.000 0.250 418 D C -1.331 174.966 176.300 -0.004 0.000 1.264 418 D CA -1.945 52.057 54.000 0.003 0.000 0.911 418 D CB 1.460 42.269 40.800 0.016 0.000 1.056 418 D HN 0.231 nan 8.370 nan 0.000 0.499 419 P HA -0.153 nan 4.420 nan 0.000 0.227 419 P C 0.733 178.007 177.300 -0.044 0.000 1.145 419 P CA 0.553 63.628 63.100 -0.041 0.000 0.769 419 P CB 0.193 31.846 31.700 -0.077 0.000 0.769 420 A N -0.439 122.359 122.820 -0.037 0.000 2.119 420 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 420 A C 2.044 179.586 177.584 -0.069 0.000 1.152 420 A CA 0.609 52.618 52.037 -0.047 0.000 0.708 420 A CB -0.999 17.984 19.000 -0.029 0.000 0.805 420 A HN 0.044 nan 8.150 nan 0.000 0.460 421 L N -0.072 121.129 121.223 -0.036 0.000 2.265 421 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 421 L C 1.183 177.962 176.870 -0.151 0.000 1.117 421 L CA 1.090 55.904 54.840 -0.044 0.000 0.782 421 L CB -1.104 41.020 42.059 0.108 0.000 0.914 421 L HN 0.177 nan 8.230 nan 0.000 0.441 422 V N 1.661 121.518 119.914 -0.096 0.000 1.983 422 V HA -0.042 4.078 4.120 -0.000 0.000 0.237 422 V C 1.158 177.156 176.094 -0.160 0.000 1.601 422 V CA -0.186 62.049 62.300 -0.108 0.000 1.566 422 V CB -1.728 30.064 31.823 -0.051 0.000 1.557 422 V HN 0.405 nan 8.190 nan 0.000 0.500 423 S N 1.554 117.085 115.700 -0.282 0.000 2.580 423 S HA 0.084 4.553 4.470 -0.000 0.000 0.266 423 S C 1.191 175.670 174.600 -0.201 0.000 1.354 423 S CA -0.160 57.866 58.200 -0.291 0.000 1.008 423 S CB 0.544 63.447 63.200 -0.496 0.000 0.898 423 S HN 0.662 nan 8.310 nan 0.000 0.555 424 N N 1.931 120.537 118.700 -0.156 0.000 2.084 424 N HA -0.068 4.671 4.740 -0.000 0.000 0.190 424 N C -1.143 174.302 175.510 -0.108 0.000 1.030 424 N CA 1.093 54.078 53.050 -0.108 0.000 0.849 424 N CB -1.004 37.433 38.487 -0.083 0.000 1.012 424 N HN 0.500 nan 8.380 nan 0.000 0.423 425 P HA -0.168 nan 4.420 nan 0.000 0.215 425 P C 1.583 178.822 177.300 -0.101 0.000 1.157 425 P CA 0.847 63.883 63.100 -0.105 0.000 0.874 425 P CB -0.027 31.598 31.700 -0.124 0.000 0.790 426 L N -0.554 120.563 121.223 -0.177 0.000 2.042 426 L HA -0.138 4.201 4.340 -0.000 0.000 0.210 426 L C 2.155 178.991 176.870 -0.057 0.000 1.076 426 L CA 1.913 56.681 54.840 -0.121 0.000 0.749 426 L CB -1.227 40.704 42.059 -0.213 0.000 0.893 426 L HN -0.184 nan 8.230 nan 0.000 0.432 427 V N -0.232 119.640 119.914 -0.070 0.000 2.759 427 V HA -0.184 3.936 4.120 -0.000 0.000 0.256 427 V C 2.571 178.651 176.094 -0.024 0.000 1.080 427 V CA 1.299 63.576 62.300 -0.038 0.000 1.101 427 V CB -0.732 31.065 31.823 -0.043 0.000 0.698 427 V HN 0.641 nan 8.190 nan 0.000 0.477 428 A N -1.007 121.796 122.820 -0.029 0.000 1.878 428 A HA -0.121 4.198 4.320 -0.000 0.000 0.213 428 A C 2.364 179.947 177.584 -0.002 0.000 1.192 428 A CA 1.866 53.893 52.037 -0.015 0.000 0.619 428 A CB -0.823 18.165 19.000 -0.020 0.000 0.837 428 A HN 0.410 nan 8.150 nan 0.000 0.446 429 T N 0.125 114.680 114.554 0.003 0.000 2.803 429 T HA -0.092 4.257 4.350 -0.000 0.000 0.269 429 T C 1.702 176.414 174.700 0.021 0.000 1.052 429 T CA 1.508 63.619 62.100 0.019 0.000 1.136 429 T CB -0.279 68.610 68.868 0.036 0.000 0.864 429 T HN 0.296 nan 8.240 nan 0.000 0.467 430 L N 0.222 121.455 121.223 0.017 0.000 2.418 430 L HA 0.113 4.452 4.340 -0.000 0.000 0.218 430 L C 2.219 179.098 176.870 0.015 0.000 1.125 430 L CA 0.661 55.511 54.840 0.018 0.000 0.835 430 L CB 0.035 42.106 42.059 0.019 0.000 0.953 430 L HN 0.111 nan 8.230 nan 0.000 0.454 431 S N -0.721 114.987 115.700 0.013 0.000 2.562 431 S HA -0.061 4.409 4.470 -0.000 0.000 0.221 431 S C 1.010 175.620 174.600 0.017 0.000 0.975 431 S CA 0.382 58.592 58.200 0.017 0.000 0.918 431 S CB -0.077 63.131 63.200 0.013 0.000 0.772 431 S HN 0.443 nan 8.310 nan 0.000 0.531 432 D N 0.917 121.325 120.400 0.015 0.000 2.202 432 D HA 0.058 4.697 4.640 -0.000 0.000 0.214 432 D C 2.059 178.365 176.300 0.010 0.000 0.967 432 D CA 0.562 54.571 54.000 0.015 0.000 0.871 432 D CB -0.555 40.255 40.800 0.016 0.000 1.020 432 D HN 0.074 nan 8.370 nan 0.000 0.474 433 V N 1.574 121.494 119.914 0.010 0.000 2.380 433 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 433 V C 2.575 178.666 176.094 -0.006 0.000 1.063 433 V CA 2.472 64.775 62.300 0.005 0.000 1.055 433 V CB -0.912 30.918 31.823 0.011 0.000 0.657 433 V HN 0.405 nan 8.190 nan 0.000 0.455 434 T N -2.211 112.343 114.554 -0.001 0.000 2.809 434 T HA -0.002 4.347 4.350 -0.000 0.000 0.260 434 T C 2.048 176.751 174.700 0.006 0.000 1.039 434 T CA 1.103 63.198 62.100 -0.009 0.000 1.141 434 T CB -0.917 67.948 68.868 -0.004 0.000 0.869 434 T HN 0.443 nan 8.240 nan 0.000 0.437 435 G N 2.056 110.870 108.800 0.023 0.000 2.476 435 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 435 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 435 G C 1.532 176.463 174.900 0.052 0.000 1.164 435 G CA 1.015 46.139 45.100 0.040 0.000 0.768 435 G HN 0.484 nan 8.290 nan 0.000 0.560 436 L N -0.126 121.107 121.223 0.017 0.000 1.961 436 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 436 L C 2.992 179.777 176.870 -0.142 0.000 1.072 436 L CA 0.896 55.715 54.840 -0.034 0.000 0.749 436 L CB -0.703 41.307 42.059 -0.082 0.000 0.889 436 L HN 0.182 nan 8.230 nan 0.000 0.432 437 L N -0.315 120.824 121.223 -0.140 0.000 2.085 437 L HA -0.330 4.009 4.340 -0.000 0.000 0.218 437 L C 2.585 179.406 176.870 -0.082 0.000 1.080 437 L CA 1.416 56.174 54.840 -0.137 0.000 0.776 437 L CB -0.617 41.412 42.059 -0.050 0.000 0.891 437 L HN 0.335 nan 8.230 nan 0.000 0.437 438 I N -1.394 119.168 120.570 -0.013 0.000 2.110 438 I HA -0.310 3.860 4.170 -0.000 0.000 0.236 438 I C 2.514 178.684 176.117 0.089 0.000 1.068 438 I CA 1.558 62.891 61.300 0.055 0.000 1.333 438 I CB -1.177 36.888 38.000 0.108 0.000 1.054 438 I HN 0.213 nan 8.210 nan 0.000 0.402 439 Y N 2.345 122.611 120.300 -0.057 0.000 2.014 439 Y HA -0.262 4.288 4.550 -0.000 0.000 0.270 439 Y C 2.607 178.455 175.900 -0.086 0.000 1.145 439 Y CA 1.656 59.725 58.100 -0.053 0.000 1.106 439 Y CB -0.977 37.453 38.460 -0.050 0.000 0.968 439 Y HN 0.015 nan 8.280 nan 0.000 0.484 440 L N -0.773 120.204 121.223 -0.409 0.000 2.013 440 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 440 L C 2.773 179.515 176.870 -0.214 0.000 1.073 440 L CA 1.992 56.486 54.840 -0.576 0.000 0.753 440 L CB -1.221 40.191 42.059 -1.078 0.000 0.890 440 L HN 0.269 nan 8.230 nan 0.000 0.432 441 S N -0.491 115.118 115.700 -0.152 0.000 2.400 441 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 441 S C 1.841 176.515 174.600 0.123 0.000 1.025 441 S CA 1.170 59.495 58.200 0.207 0.000 0.993 441 S CB -0.099 63.197 63.200 0.160 0.000 0.808 441 S HN 0.216 nan 8.310 nan 0.000 0.478 442 V N 1.339 121.287 119.914 0.057 0.000 2.719 442 V HA 0.065 4.184 4.120 -0.000 0.000 0.252 442 V C 2.622 178.741 176.094 0.042 0.000 1.065 442 V CA 1.251 63.590 62.300 0.066 0.000 1.086 442 V CB -0.922 30.958 31.823 0.095 0.000 0.700 442 V HN 0.574 nan 8.190 nan 0.000 0.467 443 A N 0.737 123.547 122.820 -0.016 0.000 1.840 443 A HA -0.206 4.113 4.320 -0.000 0.000 0.214 443 A C 2.378 179.975 177.584 0.021 0.000 1.198 443 A CA 1.748 53.765 52.037 -0.034 0.000 0.608 443 A CB -0.628 18.271 19.000 -0.168 0.000 0.839 443 A HN 0.446 nan 8.150 nan 0.000 0.443 444 R N -0.206 120.336 120.500 0.069 0.000 2.154 444 R HA -0.169 4.171 4.340 -0.000 0.000 0.248 444 R C 1.985 178.311 176.300 0.043 0.000 1.155 444 R CA 1.861 58.004 56.100 0.071 0.000 0.979 444 R CB -0.499 29.868 30.300 0.112 0.000 0.869 444 R HN 0.555 nan 8.270 nan 0.000 0.452 445 L N 0.462 121.717 121.223 0.053 0.000 2.072 445 L HA -0.059 4.280 4.340 -0.000 0.000 0.205 445 L C 2.129 179.018 176.870 0.032 0.000 1.079 445 L CA 0.989 55.853 54.840 0.040 0.000 0.752 445 L CB -0.034 42.054 42.059 0.049 0.000 0.906 445 L HN 0.262 nan 8.230 nan 0.000 0.436 446 L N -0.589 120.655 121.223 0.034 0.000 2.313 446 L HA -0.145 4.195 4.340 -0.000 0.000 0.214 446 L C 2.329 179.215 176.870 0.027 0.000 1.119 446 L CA 0.080 54.939 54.840 0.032 0.000 0.809 446 L CB -0.282 41.800 42.059 0.038 0.000 0.933 446 L HN 0.356 nan 8.230 nan 0.000 0.449 447 L N 0.523 121.760 121.223 0.023 0.000 2.141 447 L HA -0.196 4.143 4.340 -0.000 0.000 0.209 447 L C 2.452 179.331 176.870 0.014 0.000 1.094 447 L CA 1.715 56.566 54.840 0.019 0.000 0.763 447 L CB -0.594 41.473 42.059 0.014 0.000 0.908 447 L HN 0.313 nan 8.230 nan 0.000 0.437 448 E N 0.955 121.163 120.200 0.013 0.000 2.033 448 E HA -0.131 4.219 4.350 -0.000 0.000 0.199 448 E C 1.280 177.886 176.600 0.011 0.000 1.011 448 E CA 1.113 57.519 56.400 0.009 0.000 0.815 448 E CB -0.378 29.327 29.700 0.008 0.000 0.755 448 E HN 0.423 nan 8.360 nan 0.000 0.451 449 A N 0.000 122.829 122.820 0.014 0.000 2.254 449 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 449 A CA 0.000 52.046 52.037 0.015 0.000 0.836 449 A CB 0.000 19.011 19.000 0.018 0.000 0.831 449 A HN 0.000 nan 8.150 nan 0.000 0.486