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 3afe_1_C DATA FIRST_RESID 7 DATA SEQUENCE RDAQSVLAAI DNLLPEIRDR AQATEDLRRL PDETVKALDD VGFFTLLQPQ DATA SEQUENCE QWGGLQCDPA LFFEATRRLA SVCGSTGWVS SIVGVHNWHL ALFDQRAQEE DATA SEQUENCE VWGEDPSTRI SSSYAPMGAG VVVDGGYLVN GSWNWSSGCD HASWTFVGGP DATA SEQUENCE VIKDGRPVDF GSFLIPRSEY EIKDVWYVVG LRGTGSNTLV VKDVFVPRHR DATA SEQUENCE FLSYKAMNDH TAGGLATNSA PVYKMPWGTM HPTTISAPIV GMAYGAYAAH DATA SEQUENCE VEHQGKRVRA AXXXXXXXDD PFAKVRIAEA ASDIDAAWRQ LIGNVSDEYA DATA SEQUENCE LLAAGKEIPF ELRARARRDQ VRATGRSIAS IDRLFEASGA TALSNEAPIQ DATA SEQUENCE RFWRDAHAGR VHAANDPERA YVIFGNHEFG LPPGDTMV 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.305 176.300 0.008 0.000 0.893 7 R CA 0.000 56.107 56.100 0.011 0.000 0.921 7 R CB 0.000 30.309 30.300 0.016 0.000 0.687 8 D N 0.898 121.302 120.400 0.007 0.000 2.744 8 D HA 0.490 5.130 4.640 0.001 0.000 0.304 8 D C 0.758 177.059 176.300 0.001 0.000 1.179 8 D CA -0.202 53.800 54.000 0.004 0.000 1.024 8 D CB 0.887 41.690 40.800 0.005 0.000 1.453 8 D HN 0.550 nan 8.370 nan 0.000 0.529 9 A N -0.464 122.354 122.820 -0.003 0.000 1.908 9 A HA -0.239 4.081 4.320 0.001 0.000 0.218 9 A C 1.933 179.515 177.584 -0.003 0.000 1.181 9 A CA 2.048 54.079 52.037 -0.009 0.000 0.627 9 A CB -0.958 18.032 19.000 -0.018 0.000 0.818 9 A HN 0.508 nan 8.150 nan 0.000 0.445 10 Q N 0.233 120.033 119.800 0.000 0.000 2.167 10 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 10 Q C 2.385 178.387 176.000 0.003 0.000 0.970 10 Q CA 1.801 57.605 55.803 0.002 0.000 0.855 10 Q CB -0.407 28.333 28.738 0.004 0.000 0.911 10 Q HN 0.855 nan 8.270 nan 0.000 0.438 11 S N -1.073 114.630 115.700 0.005 0.000 2.414 11 S HA -0.044 4.427 4.470 0.001 0.000 0.227 11 S C 1.990 176.596 174.600 0.011 0.000 1.022 11 S CA 0.682 58.886 58.200 0.007 0.000 0.958 11 S CB -0.461 62.744 63.200 0.009 0.000 0.797 11 S HN 0.134 nan 8.310 nan 0.000 0.493 12 V N 1.623 121.546 119.914 0.014 0.000 2.343 12 V HA -0.090 4.031 4.120 0.001 0.000 0.247 12 V C 2.537 178.646 176.094 0.024 0.000 1.051 12 V CA 1.450 63.765 62.300 0.025 0.000 1.036 12 V CB -0.794 31.044 31.823 0.025 0.000 0.654 12 V HN 0.363 nan 8.190 nan 0.000 0.451 13 L N 0.402 121.633 121.223 0.012 0.000 2.042 13 L HA -0.133 4.207 4.340 0.001 0.000 0.210 13 L C 2.582 179.448 176.870 -0.007 0.000 1.076 13 L CA 2.327 57.168 54.840 0.002 0.000 0.749 13 L CB -1.339 40.716 42.059 -0.006 0.000 0.893 13 L HN 0.306 nan 8.230 nan 0.000 0.432 14 A N -1.008 121.810 122.820 -0.004 0.000 1.902 14 A HA -0.146 4.175 4.320 0.001 0.000 0.217 14 A C 2.454 180.034 177.584 -0.006 0.000 1.181 14 A CA 1.782 53.815 52.037 -0.007 0.000 0.623 14 A CB -0.878 18.121 19.000 -0.002 0.000 0.818 14 A HN 0.418 nan 8.150 nan 0.000 0.443 15 A N -0.384 122.437 122.820 0.001 0.000 1.930 15 A HA -0.031 4.290 4.320 0.001 0.000 0.217 15 A C 2.105 179.684 177.584 -0.008 0.000 1.175 15 A CA 1.416 53.455 52.037 0.003 0.000 0.627 15 A CB -0.526 18.483 19.000 0.015 0.000 0.815 15 A HN 0.490 nan 8.150 nan 0.000 0.443 16 I N -0.383 120.180 120.570 -0.012 0.000 2.252 16 I HA -0.218 3.952 4.170 0.001 0.000 0.245 16 I C 1.957 178.047 176.117 -0.046 0.000 1.102 16 I CA 1.279 62.556 61.300 -0.038 0.000 1.385 16 I CB -0.306 37.670 38.000 -0.040 0.000 1.064 16 I HN 0.244 nan 8.210 nan 0.000 0.414 17 D N 0.925 121.302 120.400 -0.038 0.000 2.116 17 D HA -0.221 4.419 4.640 0.001 0.000 0.193 17 D C 1.834 178.118 176.300 -0.027 0.000 0.998 17 D CA 1.536 55.514 54.000 -0.038 0.000 0.836 17 D CB -0.488 40.292 40.800 -0.032 0.000 0.951 17 D HN 0.431 nan 8.370 nan 0.000 0.449 18 N N -0.254 118.434 118.700 -0.019 0.000 2.223 18 N HA -0.085 4.655 4.740 0.001 0.000 0.185 18 N C 1.835 177.337 175.510 -0.013 0.000 1.016 18 N CA 0.305 53.348 53.050 -0.012 0.000 0.863 18 N CB 0.022 38.505 38.487 -0.006 0.000 0.983 18 N HN 0.157 nan 8.380 nan 0.000 0.429 19 L N 0.720 121.930 121.223 -0.021 0.000 2.313 19 L HA -0.037 4.303 4.340 0.001 0.000 0.214 19 L C 1.922 178.778 176.870 -0.025 0.000 1.119 19 L CA 0.241 55.066 54.840 -0.025 0.000 0.809 19 L CB -0.286 41.748 42.059 -0.041 0.000 0.933 19 L HN 0.222 nan 8.230 nan 0.000 0.449 20 L N 0.224 121.431 121.223 -0.026 0.000 1.990 20 L HA -0.200 4.140 4.340 0.001 0.000 0.213 20 L C -0.063 176.807 176.870 -0.000 0.000 1.072 20 L CA 1.737 56.566 54.840 -0.019 0.000 0.755 20 L CB -2.084 39.962 42.059 -0.021 0.000 0.889 20 L HN 0.245 nan 8.230 nan 0.000 0.432 21 P HA -0.215 nan 4.420 nan 0.000 0.216 21 P C 1.340 178.646 177.300 0.010 0.000 1.150 21 P CA 1.614 64.720 63.100 0.011 0.000 0.837 21 P CB -0.063 31.642 31.700 0.009 0.000 0.786 22 E N -0.317 119.885 120.200 0.004 0.000 2.112 22 E HA -0.089 4.262 4.350 0.001 0.000 0.190 22 E C 1.956 178.557 176.600 0.003 0.000 0.979 22 E CA 0.773 57.175 56.400 0.004 0.000 0.814 22 E CB -1.030 28.671 29.700 0.002 0.000 0.762 22 E HN 0.164 nan 8.360 nan 0.000 0.460 23 I N 1.317 121.885 120.570 -0.003 0.000 2.286 23 I HA -0.222 3.948 4.170 0.001 0.000 0.248 23 I C 2.990 179.111 176.117 0.007 0.000 1.115 23 I CA 1.159 62.456 61.300 -0.005 0.000 1.392 23 I CB -0.339 37.649 38.000 -0.021 0.000 1.065 23 I HN 0.137 nan 8.210 nan 0.000 0.418 24 R N 1.208 121.718 120.500 0.017 0.000 2.080 24 R HA -0.227 4.113 4.340 0.001 0.000 0.236 24 R C 1.687 177.994 176.300 0.012 0.000 1.137 24 R CA 2.255 58.372 56.100 0.028 0.000 0.943 24 R CB -0.289 30.038 30.300 0.045 0.000 0.846 24 R HN 0.289 nan 8.270 nan 0.000 0.431 25 D N -0.292 120.115 120.400 0.011 0.000 2.310 25 D HA -0.130 4.510 4.640 0.001 0.000 0.212 25 D C 1.615 177.917 176.300 0.003 0.000 0.965 25 D CA 0.835 54.840 54.000 0.007 0.000 0.879 25 D CB -0.101 40.705 40.800 0.009 0.000 0.921 25 D HN 0.284 nan 8.370 nan 0.000 0.510 26 R N 0.068 120.570 120.500 0.003 0.000 2.334 26 R HA 0.209 4.549 4.340 0.001 0.000 0.216 26 R C 1.841 178.141 176.300 -0.000 0.000 0.905 26 R CA 0.210 56.313 56.100 0.005 0.000 1.064 26 R CB 0.254 30.559 30.300 0.008 0.000 1.046 26 R HN -0.014 nan 8.270 nan 0.000 0.508 27 A N 0.716 123.529 122.820 -0.012 0.000 1.908 27 A HA -0.262 4.058 4.320 0.001 0.000 0.218 27 A C 1.994 179.561 177.584 -0.028 0.000 1.181 27 A CA 1.524 53.544 52.037 -0.029 0.000 0.627 27 A CB -0.413 18.544 19.000 -0.072 0.000 0.818 27 A HN 0.325 nan 8.150 nan 0.000 0.445 28 Q N -0.098 119.687 119.800 -0.025 0.000 2.020 28 Q HA -0.072 4.268 4.340 0.001 0.000 0.202 28 Q C 2.147 178.146 176.000 -0.001 0.000 0.982 28 Q CA 2.490 58.283 55.803 -0.016 0.000 0.838 28 Q CB -0.784 27.946 28.738 -0.013 0.000 0.899 28 Q HN 0.549 nan 8.270 nan 0.000 0.423 29 A N -0.714 122.110 122.820 0.006 0.000 1.908 29 A HA -0.218 4.102 4.320 0.001 0.000 0.218 29 A C 2.344 179.943 177.584 0.025 0.000 1.181 29 A CA 2.162 54.208 52.037 0.016 0.000 0.627 29 A CB -1.218 17.793 19.000 0.018 0.000 0.818 29 A HN 0.520 nan 8.150 nan 0.000 0.445 30 T N -0.650 113.919 114.554 0.024 0.000 2.684 30 T HA -0.192 4.158 4.350 0.001 0.000 0.267 30 T C 1.871 176.595 174.700 0.040 0.000 1.036 30 T CA 1.726 63.849 62.100 0.037 0.000 1.148 30 T CB -0.249 68.639 68.868 0.033 0.000 0.863 30 T HN 0.699 nan 8.240 nan 0.000 0.436 31 E N 0.349 120.563 120.200 0.022 0.000 2.110 31 E HA -0.182 4.168 4.350 0.001 0.000 0.193 31 E C 1.818 178.433 176.600 0.026 0.000 0.988 31 E CA 1.157 57.569 56.400 0.020 0.000 0.804 31 E CB 0.007 29.704 29.700 -0.005 0.000 0.745 31 E HN 0.365 nan 8.360 nan 0.000 0.458 32 D N 0.487 120.901 120.400 0.024 0.000 2.097 32 D HA -0.169 4.471 4.640 0.001 0.000 0.195 32 D C 2.047 178.370 176.300 0.039 0.000 0.989 32 D CA 0.771 54.789 54.000 0.029 0.000 0.827 32 D CB -0.242 40.573 40.800 0.025 0.000 0.966 32 D HN 0.246 nan 8.370 nan 0.000 0.456 33 L N -0.118 121.131 121.223 0.042 0.000 2.131 33 L HA -0.064 4.277 4.340 0.001 0.000 0.210 33 L C 0.635 177.532 176.870 0.044 0.000 1.092 33 L CA 0.817 55.685 54.840 0.046 0.000 0.759 33 L CB -0.042 42.051 42.059 0.057 0.000 0.903 33 L HN 0.092 nan 8.230 nan 0.000 0.435 34 R N 0.119 120.652 120.500 0.056 0.000 3.776 34 R HA -0.184 4.156 4.340 0.001 0.000 0.312 34 R C -0.326 176.017 176.300 0.072 0.000 1.181 34 R CA 0.756 56.905 56.100 0.081 0.000 0.836 34 R CB -1.828 28.487 30.300 0.024 0.000 1.324 34 R HN 0.568 nan 8.270 nan 0.000 0.501 35 R N -2.095 118.449 120.500 0.074 0.000 2.753 35 R HA 0.316 4.656 4.340 0.001 0.000 0.272 35 R C -1.420 174.981 176.300 0.168 0.000 1.034 35 R CA -1.272 54.882 56.100 0.090 0.000 0.869 35 R CB 0.373 30.689 30.300 0.027 0.000 1.264 35 R HN -0.101 nan 8.270 nan 0.000 0.481 36 L N 2.053 123.444 121.223 0.279 0.000 2.490 36 L HA 0.268 4.608 4.340 0.001 0.000 0.274 36 L C -2.029 174.979 176.870 0.229 0.000 1.201 36 L CA -1.259 53.702 54.840 0.202 0.000 0.869 36 L CB -0.138 41.947 42.059 0.043 0.000 1.123 36 L HN 0.552 nan 8.230 nan 0.000 0.484 37 P HA 0.041 nan 4.420 nan 0.000 0.267 37 P C 0.091 177.439 177.300 0.080 0.000 1.205 37 P CA -0.147 63.011 63.100 0.096 0.000 0.765 37 P CB 0.510 32.242 31.700 0.053 0.000 0.828 38 D N 2.162 122.640 120.400 0.130 0.000 2.203 38 D HA -0.220 4.420 4.640 0.001 0.000 0.199 38 D C 1.494 177.820 176.300 0.042 0.000 0.997 38 D CA 1.398 55.462 54.000 0.107 0.000 0.863 38 D CB -0.099 40.771 40.800 0.116 0.000 0.928 38 D HN 0.601 nan 8.370 nan 0.000 0.458 39 E N -0.089 120.135 120.200 0.039 0.000 2.150 39 E HA -0.149 4.201 4.350 0.001 0.000 0.193 39 E C 1.975 178.585 176.600 0.017 0.000 0.985 39 E CA 1.448 57.866 56.400 0.029 0.000 0.814 39 E CB 0.136 29.852 29.700 0.028 0.000 0.752 39 E HN 0.324 nan 8.360 nan 0.000 0.466 40 T N -1.748 112.808 114.554 0.004 0.000 2.896 40 T HA -0.034 4.316 4.350 0.001 0.000 0.263 40 T C 1.977 176.670 174.700 -0.012 0.000 1.050 40 T CA 1.032 63.125 62.100 -0.012 0.000 1.140 40 T CB -0.244 68.611 68.868 -0.022 0.000 0.877 40 T HN 0.014 nan 8.240 nan 0.000 0.457 41 V N 1.901 121.791 119.914 -0.040 0.000 2.295 41 V HA -0.124 3.997 4.120 0.001 0.000 0.246 41 V C 2.854 179.002 176.094 0.091 0.000 1.049 41 V CA 2.225 64.517 62.300 -0.013 0.000 1.024 41 V CB -0.735 30.945 31.823 -0.239 0.000 0.648 41 V HN 0.570 nan 8.190 nan 0.000 0.447 42 K N 0.248 120.679 120.400 0.052 0.000 2.009 42 K HA -0.235 4.086 4.320 0.001 0.000 0.210 42 K C 2.237 178.892 176.600 0.091 0.000 1.049 42 K CA 1.845 58.177 56.287 0.074 0.000 0.929 42 K CB -0.428 32.104 32.500 0.053 0.000 0.714 42 K HN 0.403 nan 8.250 nan 0.000 0.440 43 A N 1.640 124.496 122.820 0.061 0.000 1.892 43 A HA -0.184 4.136 4.320 0.001 0.000 0.218 43 A C 2.231 179.855 177.584 0.067 0.000 1.188 43 A CA 1.664 53.730 52.037 0.050 0.000 0.631 43 A CB -0.767 18.245 19.000 0.020 0.000 0.822 43 A HN 0.370 nan 8.150 nan 0.000 0.447 44 L N -0.737 120.528 121.223 0.070 0.000 1.989 44 L HA -0.253 4.087 4.340 0.001 0.000 0.211 44 L C 2.515 179.519 176.870 0.224 0.000 1.071 44 L CA 2.011 56.885 54.840 0.056 0.000 0.749 44 L CB -0.693 41.343 42.059 -0.038 0.000 0.890 44 L HN 0.477 nan 8.230 nan 0.000 0.431 45 D N -0.145 120.492 120.400 0.396 0.000 2.149 45 D HA -0.216 4.425 4.640 0.001 0.000 0.198 45 D C 1.665 178.108 176.300 0.239 0.000 0.990 45 D CA 1.316 55.582 54.000 0.444 0.000 0.839 45 D CB 0.039 41.018 40.800 0.298 0.000 0.948 45 D HN 0.228 nan 8.370 nan 0.000 0.460 46 D N -0.750 119.745 120.400 0.158 0.000 2.183 46 D HA -0.091 4.549 4.640 0.001 0.000 0.203 46 D C 2.022 178.376 176.300 0.090 0.000 0.969 46 D CA 1.136 55.198 54.000 0.104 0.000 0.842 46 D CB -0.008 40.837 40.800 0.076 0.000 0.957 46 D HN 0.355 nan 8.370 nan 0.000 0.484 47 V N -3.373 116.597 119.914 0.093 0.000 3.623 47 V HA 0.456 4.576 4.120 0.001 0.000 0.271 47 V C 1.444 177.588 176.094 0.083 0.000 1.248 47 V CA 0.590 62.933 62.300 0.072 0.000 1.156 47 V CB -0.140 31.713 31.823 0.051 0.000 0.870 47 V HN 0.207 nan 8.190 nan 0.000 0.453 48 G N -0.097 108.774 108.800 0.118 0.000 2.144 48 G HA2 -0.332 3.628 3.960 0.001 0.000 0.218 48 G HA3 -0.332 3.628 3.960 0.001 0.000 0.218 48 G C 0.310 175.267 174.900 0.095 0.000 0.988 48 G CA 0.312 45.475 45.100 0.104 0.000 0.659 48 G HN 0.579 nan 8.290 nan 0.000 0.522 49 F N 0.962 120.877 119.950 -0.059 0.000 2.095 49 F HA 0.082 4.610 4.527 0.000 0.000 0.298 49 F C 2.205 177.894 175.800 -0.185 0.000 1.104 49 F CA 2.395 60.270 58.000 -0.209 0.000 1.232 49 F CB -0.273 38.460 39.000 -0.444 0.000 0.987 49 F HN 0.144 nan 8.300 nan 0.000 0.475 50 F N 0.515 120.524 119.950 0.098 0.000 2.451 50 F HA -0.091 4.437 4.527 0.000 0.000 0.299 50 F C 2.679 178.435 175.800 -0.074 0.000 1.101 50 F CA 1.303 59.311 58.000 0.014 0.000 1.436 50 F CB -1.466 37.630 39.000 0.161 0.000 1.074 50 F HN 0.097 nan 8.300 nan 0.000 0.553 51 T N -2.037 112.553 114.554 0.060 0.000 2.995 51 T HA -0.109 4.241 4.350 0.001 0.000 0.269 51 T C 2.044 176.710 174.700 -0.057 0.000 1.091 51 T CA 0.603 62.692 62.100 -0.018 0.000 1.128 51 T CB -0.699 68.164 68.868 -0.008 0.000 0.891 51 T HN 0.289 nan 8.240 nan 0.000 0.492 52 L N -0.001 121.154 121.223 -0.114 0.000 2.010 52 L HA -0.077 4.263 4.340 0.001 0.000 0.219 52 L C 2.269 179.064 176.870 -0.125 0.000 1.077 52 L CA 1.686 56.455 54.840 -0.119 0.000 0.773 52 L CB -0.334 41.642 42.059 -0.138 0.000 0.892 52 L HN 0.330 nan 8.230 nan 0.000 0.436 53 L N -1.163 119.952 121.223 -0.180 0.000 2.818 53 L HA 0.147 4.487 4.340 0.001 0.000 0.243 53 L C 0.619 177.558 176.870 0.116 0.000 1.185 53 L CA -0.261 54.493 54.840 -0.143 0.000 0.988 53 L CB 0.280 42.100 42.059 -0.399 0.000 1.292 53 L HN 0.275 nan 8.230 nan 0.000 0.519 54 Q N 1.582 121.420 119.800 0.063 0.000 2.256 54 Q HA 0.293 4.634 4.340 0.001 0.000 0.254 54 Q C -2.293 173.793 176.000 0.143 0.000 0.916 54 Q CA -1.920 53.915 55.803 0.053 0.000 0.932 54 Q CB 1.616 30.252 28.738 -0.169 0.000 1.207 54 Q HN -0.060 nan 8.270 nan 0.000 0.426 55 P HA -0.127 nan 4.420 nan 0.000 0.268 55 P C -0.503 176.847 177.300 0.082 0.000 1.208 55 P CA 0.388 63.604 63.100 0.194 0.000 0.777 55 P CB 0.424 32.172 31.700 0.080 0.000 0.875 56 Q N 2.432 122.258 119.800 0.043 0.000 2.378 56 Q HA -0.202 4.138 4.340 0.001 0.000 0.205 56 Q C 1.556 177.491 176.000 -0.108 0.000 0.954 56 Q CA 0.888 56.681 55.803 -0.017 0.000 0.901 56 Q CB -0.506 28.229 28.738 -0.006 0.000 0.981 56 Q HN 0.518 nan 8.270 nan 0.000 0.483 57 Q N -0.276 119.390 119.800 -0.223 0.000 2.364 57 Q HA -0.138 4.202 4.340 0.001 0.000 0.209 57 Q C 0.441 176.078 176.000 -0.604 0.000 0.977 57 Q CA 1.287 56.810 55.803 -0.466 0.000 0.885 57 Q CB -0.288 28.063 28.738 -0.645 0.000 0.941 57 Q HN 0.640 nan 8.270 nan 0.000 0.464 58 W N -0.330 120.917 121.300 -0.088 0.000 2.991 58 W HA 0.503 5.164 4.660 0.001 0.000 0.391 58 W C 0.757 177.172 176.519 -0.173 0.000 1.054 58 W CA -0.204 57.054 57.345 -0.144 0.000 1.856 58 W CB 1.106 30.392 29.460 -0.289 0.000 1.132 58 W HN 0.305 nan 8.180 nan 0.000 0.601 59 G N 0.276 109.086 108.800 0.017 0.000 2.157 59 G HA2 -0.192 3.768 3.960 0.001 0.000 0.239 59 G HA3 -0.192 3.768 3.960 0.001 0.000 0.239 59 G C 0.534 175.425 174.900 -0.014 0.000 0.982 59 G CA -0.338 44.760 45.100 -0.002 0.000 0.650 59 G HN 0.492 nan 8.290 nan 0.000 0.527 60 G N -1.104 107.685 108.800 -0.018 0.000 2.537 60 G HA2 0.627 4.588 3.960 0.001 0.000 0.297 60 G HA3 0.627 4.588 3.960 0.001 0.000 0.297 60 G C 0.902 175.804 174.900 0.004 0.000 1.310 60 G CA -0.433 44.653 45.100 -0.022 0.000 1.027 60 G HN 0.538 nan 8.290 nan 0.000 0.505 61 L N -0.274 120.950 121.223 0.003 0.000 2.664 61 L HA 0.147 4.487 4.340 0.001 0.000 0.233 61 L C 1.065 177.939 176.870 0.006 0.000 1.113 61 L CA 0.108 54.948 54.840 0.000 0.000 0.896 61 L CB -0.037 42.011 42.059 -0.017 0.000 1.163 61 L HN 0.803 nan 8.230 nan 0.000 0.497 62 Q N 0.784 120.608 119.800 0.039 0.000 2.386 62 Q HA -0.251 4.089 4.340 0.001 0.000 0.361 62 Q C 0.347 176.279 176.000 -0.112 0.000 1.325 62 Q CA 0.548 56.358 55.803 0.012 0.000 1.097 62 Q CB -2.567 26.266 28.738 0.158 0.000 1.303 62 Q HN 0.596 nan 8.270 nan 0.000 0.377 63 C N -0.832 118.386 119.300 -0.137 0.000 2.641 63 C HA 0.455 4.915 4.460 0.001 0.000 0.318 63 C C 0.884 175.700 174.990 -0.290 0.000 1.490 63 C CA -0.362 58.566 59.018 -0.149 0.000 2.260 63 C CB 1.038 28.708 27.740 -0.118 0.000 2.103 63 C HN 0.664 nan 8.230 nan 0.000 0.641 64 D N 1.456 121.670 120.400 -0.310 0.000 2.417 64 D HA 0.205 4.845 4.640 0.001 0.000 0.250 64 D C -1.469 174.523 176.300 -0.514 0.000 1.166 64 D CA -1.564 52.055 54.000 -0.635 0.000 0.881 64 D CB 1.106 41.727 40.800 -0.299 0.000 1.164 64 D HN 0.348 nan 8.370 nan 0.000 0.467 65 P HA -0.070 nan 4.420 nan 0.000 0.220 65 P C 0.921 178.094 177.300 -0.213 0.000 1.148 65 P CA 1.204 64.043 63.100 -0.435 0.000 0.803 65 P CB 0.117 31.611 31.700 -0.343 0.000 0.782 66 A N -0.475 122.265 122.820 -0.134 0.000 1.972 66 A HA -0.127 4.194 4.320 0.001 0.000 0.219 66 A C 2.144 179.756 177.584 0.048 0.000 1.169 66 A CA 1.258 53.301 52.037 0.011 0.000 0.635 66 A CB -1.523 17.462 19.000 -0.025 0.000 0.810 66 A HN 0.151 nan 8.150 nan 0.000 0.446 67 L N -2.261 118.947 121.223 -0.024 0.000 2.240 67 L HA -0.038 4.302 4.340 0.001 0.000 0.211 67 L C 2.386 179.252 176.870 -0.007 0.000 1.106 67 L CA 0.990 55.831 54.840 0.002 0.000 0.793 67 L CB -0.430 41.613 42.059 -0.026 0.000 0.927 67 L HN 0.526 nan 8.230 nan 0.000 0.446 68 F N 0.491 120.294 119.950 -0.245 0.000 2.163 68 F HA -0.180 4.348 4.527 0.000 0.000 0.297 68 F C 2.080 177.745 175.800 -0.225 0.000 1.094 68 F CA 1.393 59.187 58.000 -0.343 0.000 1.290 68 F CB -0.172 38.467 39.000 -0.602 0.000 1.017 68 F HN -0.124 nan 8.300 nan 0.000 0.483 69 F N 0.995 120.969 119.950 0.040 0.000 2.186 69 F HA -0.065 4.462 4.527 0.001 0.000 0.299 69 F C 2.456 178.342 175.800 0.143 0.000 1.090 69 F CA 1.362 59.377 58.000 0.025 0.000 1.307 69 F CB -1.241 37.810 39.000 0.085 0.000 1.019 69 F HN 0.047 nan 8.300 nan 0.000 0.489 70 E N 0.947 121.357 120.200 0.351 0.000 2.118 70 E HA -0.196 4.154 4.350 0.001 0.000 0.195 70 E C 2.136 178.734 176.600 -0.003 0.000 0.992 70 E CA 1.416 57.968 56.400 0.253 0.000 0.804 70 E CB -0.449 29.378 29.700 0.212 0.000 0.741 70 E HN 0.243 nan 8.360 nan 0.000 0.458 71 A N -0.009 122.778 122.820 -0.054 0.000 1.845 71 A HA -0.216 4.105 4.320 0.001 0.000 0.215 71 A C 2.564 180.079 177.584 -0.114 0.000 1.195 71 A CA 3.069 55.058 52.037 -0.080 0.000 0.616 71 A CB -1.665 17.318 19.000 -0.028 0.000 0.832 71 A HN 0.530 nan 8.150 nan 0.000 0.443 72 T N -1.944 112.518 114.554 -0.153 0.000 2.803 72 T HA -0.235 4.115 4.350 0.001 0.000 0.269 72 T C 1.958 176.614 174.700 -0.073 0.000 1.052 72 T CA 1.614 63.645 62.100 -0.115 0.000 1.136 72 T CB -0.432 68.389 68.868 -0.078 0.000 0.864 72 T HN 0.506 nan 8.240 nan 0.000 0.467 73 R N 0.862 121.308 120.500 -0.089 0.000 2.096 73 R HA -0.010 4.331 4.340 0.001 0.000 0.235 73 R C 2.760 178.915 176.300 -0.242 0.000 1.127 73 R CA 1.090 57.058 56.100 -0.221 0.000 0.968 73 R CB -0.122 29.818 30.300 -0.600 0.000 0.861 73 R HN 0.454 nan 8.270 nan 0.000 0.440 74 R N 0.129 120.497 120.500 -0.219 0.000 2.073 74 R HA -0.032 4.309 4.340 0.001 0.000 0.229 74 R C 2.444 178.674 176.300 -0.116 0.000 1.120 74 R CA 1.263 57.251 56.100 -0.187 0.000 0.967 74 R CB -0.337 29.866 30.300 -0.162 0.000 0.862 74 R HN 0.213 nan 8.270 nan 0.000 0.436 75 L N 0.300 121.451 121.223 -0.120 0.000 1.990 75 L HA -0.206 4.134 4.340 0.001 0.000 0.213 75 L C 2.624 179.492 176.870 -0.004 0.000 1.072 75 L CA 1.549 56.330 54.840 -0.097 0.000 0.755 75 L CB -0.693 41.256 42.059 -0.183 0.000 0.889 75 L HN 0.277 nan 8.230 nan 0.000 0.432 76 A N -0.162 122.669 122.820 0.018 0.000 2.067 76 A HA -0.161 4.160 4.320 0.001 0.000 0.219 76 A C 2.416 180.085 177.584 0.142 0.000 1.158 76 A CA 1.564 53.670 52.037 0.115 0.000 0.661 76 A CB -0.534 18.538 19.000 0.119 0.000 0.801 76 A HN 0.546 nan 8.150 nan 0.000 0.452 77 S N -0.549 115.169 115.700 0.029 0.000 2.561 77 S HA 0.018 4.489 4.470 0.001 0.000 0.225 77 S C 1.351 176.037 174.600 0.142 0.000 0.977 77 S CA 1.163 59.347 58.200 -0.026 0.000 0.926 77 S CB -0.407 62.739 63.200 -0.090 0.000 0.769 77 S HN 1.000 nan 8.310 nan 0.000 0.533 78 V N -2.960 117.089 119.914 0.224 0.000 3.371 78 V HA 0.486 4.606 4.120 0.001 0.000 0.246 78 V C 0.617 176.858 176.094 0.245 0.000 1.303 78 V CA 0.007 62.471 62.300 0.273 0.000 1.156 78 V CB 0.000 31.893 31.823 0.115 0.000 0.929 78 V HN 0.570 nan 8.190 nan 0.000 0.459 79 C N 1.707 121.130 119.300 0.205 0.000 2.571 79 C HA 0.751 5.212 4.460 0.001 0.000 0.343 79 C C 1.904 176.999 174.990 0.175 0.000 1.082 79 C CA 0.153 59.246 59.018 0.124 0.000 1.339 79 C CB 0.321 28.091 27.740 0.050 0.000 1.893 79 C HN 0.681 nan 8.230 nan 0.000 0.445 80 G N 3.486 112.415 108.800 0.215 0.000 2.631 80 G HA2 -0.245 3.716 3.960 0.001 0.000 0.219 80 G HA3 -0.245 3.716 3.960 0.001 0.000 0.219 80 G C 1.696 176.724 174.900 0.213 0.000 1.214 80 G CA 1.672 46.917 45.100 0.241 0.000 0.785 80 G HN 0.805 nan 8.290 nan 0.000 0.596 81 S N -0.048 115.739 115.700 0.146 0.000 2.382 81 S HA -0.122 4.348 4.470 0.001 0.000 0.228 81 S C 2.465 177.181 174.600 0.194 0.000 1.027 81 S CA 1.749 60.050 58.200 0.168 0.000 0.991 81 S CB -0.516 62.751 63.200 0.111 0.000 0.823 81 S HN 0.484 nan 8.310 nan 0.000 0.469 82 T N 1.626 116.254 114.554 0.124 0.000 2.708 82 T HA -0.042 4.308 4.350 0.001 0.000 0.266 82 T C 2.117 176.854 174.700 0.061 0.000 1.037 82 T CA 1.390 63.532 62.100 0.069 0.000 1.146 82 T CB -0.868 68.005 68.868 0.009 0.000 0.865 82 T HN 0.555 nan 8.240 nan 0.000 0.435 83 G N 0.368 109.223 108.800 0.091 0.000 2.418 83 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 83 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 83 G C 1.465 176.466 174.900 0.168 0.000 1.158 83 G CA 0.549 45.696 45.100 0.077 0.000 0.771 83 G HN 0.537 nan 8.290 nan 0.000 0.545 84 W N 0.953 122.301 121.300 0.079 0.000 2.354 84 W HA -0.107 4.553 4.660 0.000 0.000 0.315 84 W C 2.208 178.817 176.519 0.149 0.000 1.206 84 W CA 1.555 58.972 57.345 0.121 0.000 1.290 84 W CB -0.513 29.035 29.460 0.147 0.000 1.152 84 W HN 0.119 nan 8.180 nan 0.000 0.489 85 V N 1.131 121.275 119.914 0.382 0.000 2.343 85 V HA -0.308 3.812 4.120 0.001 0.000 0.247 85 V C 2.567 178.813 176.094 0.253 0.000 1.051 85 V CA 2.286 64.768 62.300 0.305 0.000 1.036 85 V CB -1.090 30.904 31.823 0.285 0.000 0.654 85 V HN 0.109 nan 8.190 nan 0.000 0.451 86 S N -0.392 115.417 115.700 0.182 0.000 2.359 86 S HA -0.252 4.218 4.470 0.001 0.000 0.224 86 S C 2.233 177.053 174.600 0.367 0.000 1.035 86 S CA 1.887 60.199 58.200 0.186 0.000 1.018 86 S CB -0.489 62.528 63.200 -0.305 0.000 0.876 86 S HN 0.593 nan 8.310 nan 0.000 0.448 87 S N 1.065 116.885 115.700 0.200 0.000 2.359 87 S HA -0.067 4.403 4.470 0.001 0.000 0.224 87 S C 1.768 176.515 174.600 0.245 0.000 1.035 87 S CA 1.235 59.568 58.200 0.223 0.000 1.018 87 S CB -0.466 62.775 63.200 0.068 0.000 0.876 87 S HN 0.475 nan 8.310 nan 0.000 0.448 88 I N 0.587 121.203 120.570 0.077 0.000 2.333 88 I HA -0.062 4.108 4.170 0.001 0.000 0.246 88 I C 2.247 178.264 176.117 -0.167 0.000 1.106 88 I CA 0.721 62.004 61.300 -0.028 0.000 1.411 88 I CB -0.450 37.548 38.000 -0.004 0.000 1.082 88 I HN 0.187 nan 8.210 nan 0.000 0.420 89 V N 1.332 121.365 119.914 0.200 0.000 2.358 89 V HA -0.163 3.958 4.120 0.001 0.000 0.246 89 V C 2.652 179.023 176.094 0.461 0.000 1.047 89 V CA 2.133 64.684 62.300 0.419 0.000 1.035 89 V CB -1.266 30.893 31.823 0.560 0.000 0.658 89 V HN 0.547 nan 8.190 nan 0.000 0.452 90 G N -0.668 108.452 108.800 0.533 0.000 2.440 90 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 90 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 90 G C 1.725 176.719 174.900 0.156 0.000 1.154 90 G CA 1.142 46.508 45.100 0.442 0.000 0.767 90 G HN 0.397 nan 8.290 nan 0.000 0.552 91 V N 0.309 120.278 119.914 0.091 0.000 3.141 91 V HA -0.050 4.071 4.120 0.001 0.000 0.265 91 V C 2.254 178.602 176.094 0.423 0.000 1.126 91 V CA 1.705 64.024 62.300 0.031 0.000 1.141 91 V CB -0.700 31.128 31.823 0.008 0.000 0.743 91 V HN 0.629 nan 8.190 nan 0.000 0.492 92 H N -0.358 119.048 119.070 0.560 0.000 2.436 92 H HA -0.008 4.548 4.556 0.000 0.000 0.294 92 H C 2.044 177.763 175.328 0.651 0.000 1.048 92 H CA 1.270 57.761 56.048 0.739 0.000 1.353 92 H CB 0.139 30.289 29.762 0.647 0.000 1.414 92 H HN 0.391 nan 8.280 nan 0.000 0.536 93 N N 0.034 119.118 118.700 0.639 0.000 2.381 93 N HA -0.148 4.592 4.740 0.001 0.000 0.182 93 N C 1.376 177.228 175.510 0.570 0.000 1.025 93 N CA 0.664 54.089 53.050 0.624 0.000 0.888 93 N CB -0.211 38.532 38.487 0.426 0.000 0.965 93 N HN 0.531 nan 8.380 nan 0.000 0.438 94 W N 0.654 122.150 121.300 0.326 0.000 2.443 94 W HA 0.002 4.663 4.660 0.001 0.000 0.296 94 W C 2.364 179.137 176.519 0.423 0.000 1.202 94 W CA 1.026 58.583 57.345 0.353 0.000 1.312 94 W CB -0.424 29.116 29.460 0.133 0.000 1.120 94 W HN 0.198 nan 8.180 nan 0.000 0.536 95 H N -0.333 119.138 119.070 0.668 0.000 2.389 95 H HA -0.198 4.358 4.556 0.001 0.000 0.299 95 H C 2.091 177.541 175.328 0.204 0.000 1.081 95 H CA 1.411 57.674 56.048 0.358 0.000 1.345 95 H CB -0.037 29.938 29.762 0.354 0.000 1.393 95 H HN 0.191 nan 8.280 nan 0.000 0.520 96 L N 0.952 122.398 121.223 0.372 0.000 2.201 96 L HA -0.015 4.325 4.340 0.001 0.000 0.212 96 L C 2.360 179.290 176.870 0.101 0.000 1.105 96 L CA 1.551 56.478 54.840 0.145 0.000 0.775 96 L CB -0.745 41.238 42.059 -0.127 0.000 0.913 96 L HN 0.297 nan 8.230 nan 0.000 0.440 97 A N -1.163 121.692 122.820 0.057 0.000 2.067 97 A HA -0.072 4.248 4.320 0.001 0.000 0.219 97 A C 1.971 179.399 177.584 -0.260 0.000 1.158 97 A CA 1.337 53.272 52.037 -0.171 0.000 0.661 97 A CB -0.547 18.064 19.000 -0.648 0.000 0.801 97 A HN 0.426 nan 8.150 nan 0.000 0.452 98 L N -1.735 119.350 121.223 -0.230 0.000 2.509 98 L HA 0.249 4.589 4.340 0.001 0.000 0.222 98 L C 0.277 176.990 176.870 -0.261 0.000 1.123 98 L CA 0.328 55.000 54.840 -0.280 0.000 0.856 98 L CB -0.393 41.456 42.059 -0.348 0.000 0.985 98 L HN 0.290 nan 8.230 nan 0.000 0.456 99 F N 0.369 120.162 119.950 -0.262 0.000 2.406 99 F HA 0.136 4.664 4.527 0.000 0.000 0.327 99 F C 1.048 176.760 175.800 -0.147 0.000 1.153 99 F CA -1.107 56.755 58.000 -0.230 0.000 1.218 99 F CB 0.310 39.159 39.000 -0.252 0.000 1.215 99 F HN 0.100 nan 8.300 nan 0.000 0.570 100 D N 0.563 121.001 120.400 0.063 0.000 2.344 100 D HA 0.085 4.725 4.640 0.001 0.000 0.244 100 D C 0.821 177.168 176.300 0.078 0.000 1.134 100 D CA -0.491 53.534 54.000 0.043 0.000 0.930 100 D CB 0.605 41.422 40.800 0.027 0.000 1.175 100 D HN 0.445 nan 8.370 nan 0.000 0.437 101 Q N 0.317 120.157 119.800 0.067 0.000 2.156 101 Q HA -0.270 4.070 4.340 0.001 0.000 0.211 101 Q C 1.890 177.943 176.000 0.089 0.000 0.995 101 Q CA 1.913 57.782 55.803 0.110 0.000 0.877 101 Q CB -0.059 28.723 28.738 0.074 0.000 0.920 101 Q HN 0.481 nan 8.270 nan 0.000 0.416 102 R N -0.636 119.879 120.500 0.025 0.000 2.115 102 R HA -0.226 4.114 4.340 0.001 0.000 0.239 102 R C 2.121 178.422 176.300 0.001 0.000 1.133 102 R CA 1.645 57.712 56.100 -0.053 0.000 0.935 102 R CB -0.989 29.158 30.300 -0.255 0.000 0.853 102 R HN 0.431 nan 8.270 nan 0.000 0.433 103 A N 1.299 124.175 122.820 0.093 0.000 1.865 103 A HA -0.240 4.080 4.320 0.001 0.000 0.217 103 A C 2.191 179.542 177.584 -0.388 0.000 1.191 103 A CA 1.658 53.652 52.037 -0.073 0.000 0.623 103 A CB -0.619 18.353 19.000 -0.047 0.000 0.826 103 A HN 0.457 nan 8.150 nan 0.000 0.444 104 Q N -0.955 118.665 119.800 -0.300 0.000 2.077 104 Q HA -0.291 4.050 4.340 0.001 0.000 0.206 104 Q C 2.079 177.713 176.000 -0.609 0.000 0.989 104 Q CA 1.845 57.350 55.803 -0.496 0.000 0.853 104 Q CB -0.283 28.457 28.738 0.003 0.000 0.907 104 Q HN 0.790 nan 8.270 nan 0.000 0.418 105 E N 1.305 121.385 120.200 -0.200 0.000 2.085 105 E HA -0.214 4.136 4.350 0.001 0.000 0.194 105 E C 1.645 178.111 176.600 -0.223 0.000 0.994 105 E CA 1.635 57.990 56.400 -0.074 0.000 0.801 105 E CB 0.040 29.801 29.700 0.102 0.000 0.743 105 E HN 0.398 nan 8.360 nan 0.000 0.453 106 E N -0.454 119.581 120.200 -0.275 0.000 2.110 106 E HA -0.150 4.200 4.350 0.001 0.000 0.193 106 E C 2.164 178.496 176.600 -0.447 0.000 0.988 106 E CA 1.330 57.588 56.400 -0.236 0.000 0.804 106 E CB 0.042 29.648 29.700 -0.157 0.000 0.745 106 E HN 0.187 nan 8.360 nan 0.000 0.458 107 V N 0.045 119.383 119.914 -0.960 0.000 2.302 107 V HA -0.133 3.988 4.120 0.001 0.000 0.243 107 V C 1.411 177.068 176.094 -0.729 0.000 1.036 107 V CA 1.174 62.732 62.300 -1.236 0.000 1.020 107 V CB -0.219 30.437 31.823 -1.945 0.000 0.657 107 V HN 0.409 nan 8.190 nan 0.000 0.453 108 W N 0.216 121.115 121.300 -0.668 0.000 3.127 108 W HA 0.425 5.086 4.660 0.000 0.000 0.344 108 W C 2.007 178.309 176.519 -0.362 0.000 1.151 108 W CA 0.037 57.026 57.345 -0.594 0.000 1.765 108 W CB -1.044 27.824 29.460 -0.988 0.000 1.085 108 W HN 0.319 nan 8.180 nan 0.000 0.596 109 G N 1.384 110.124 108.800 -0.100 0.000 2.586 109 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 109 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 109 G C 1.418 176.409 174.900 0.152 0.000 1.216 109 G CA 1.158 46.326 45.100 0.114 0.000 0.786 109 G HN 0.132 nan 8.290 nan 0.000 0.583 110 E N -0.023 120.234 120.200 0.096 0.000 2.190 110 E HA 0.018 4.368 4.350 0.001 0.000 0.191 110 E C -0.047 176.615 176.600 0.102 0.000 0.978 110 E CA 0.404 56.861 56.400 0.095 0.000 0.839 110 E CB 0.392 30.136 29.700 0.073 0.000 0.787 110 E HN 0.318 nan 8.360 nan 0.000 0.473 111 D N -0.277 120.189 120.400 0.110 0.000 2.479 111 D HA 0.112 4.752 4.640 0.001 0.000 0.246 111 D C -2.164 174.237 176.300 0.169 0.000 1.336 111 D CA -1.947 52.124 54.000 0.118 0.000 0.967 111 D CB 1.860 42.719 40.800 0.099 0.000 1.275 111 D HN -0.211 nan 8.370 nan 0.000 0.577 112 P HA -0.039 nan 4.420 nan 0.000 0.229 112 P C 0.836 178.041 177.300 -0.158 0.000 1.160 112 P CA 0.417 63.492 63.100 -0.041 0.000 0.777 112 P CB 0.150 31.833 31.700 -0.028 0.000 0.814 113 S N -1.998 113.711 115.700 0.014 0.000 2.685 113 S HA 0.116 4.586 4.470 0.001 0.000 0.240 113 S C 0.571 175.220 174.600 0.082 0.000 0.967 113 S CA -0.340 57.874 58.200 0.023 0.000 1.009 113 S CB -1.338 61.886 63.200 0.041 0.000 0.776 113 S HN -0.092 nan 8.310 nan 0.000 0.467 114 T N 3.233 117.923 114.554 0.227 0.000 2.884 114 T HA 0.335 4.685 4.350 0.001 0.000 0.298 114 T C 0.186 175.014 174.700 0.214 0.000 0.998 114 T CA -0.247 61.975 62.100 0.203 0.000 1.124 114 T CB 0.541 69.515 68.868 0.177 0.000 0.931 114 T HN 0.432 nan 8.240 nan 0.000 0.531 115 R N 2.244 122.793 120.500 0.082 0.000 2.604 115 R HA 0.668 5.008 4.340 0.001 0.000 0.287 115 R C -0.628 175.705 176.300 0.056 0.000 0.970 115 R CA -0.740 55.391 56.100 0.051 0.000 0.946 115 R CB 1.254 31.502 30.300 -0.086 0.000 1.127 115 R HN 0.507 nan 8.270 nan 0.000 0.473 116 I N 0.677 121.279 120.570 0.053 0.000 2.509 116 I HA 0.303 4.473 4.170 0.001 0.000 0.293 116 I C 0.345 176.434 176.117 -0.047 0.000 1.020 116 I CA -0.469 60.758 61.300 -0.120 0.000 1.088 116 I CB 2.070 39.815 38.000 -0.426 0.000 1.267 116 I HN 0.676 nan 8.210 nan 0.000 0.430 117 S N 3.308 118.894 115.700 -0.191 0.000 2.748 117 S HA 0.939 5.410 4.470 0.001 0.000 0.299 117 S C -0.187 174.144 174.600 -0.449 0.000 1.119 117 S CA -0.268 57.860 58.200 -0.120 0.000 0.997 117 S CB 1.763 64.952 63.200 -0.018 0.000 1.223 117 S HN 0.898 nan 8.310 nan 0.000 0.541 118 S N -0.996 114.580 115.700 -0.207 0.000 2.627 118 S HA 0.653 5.123 4.470 0.001 0.000 0.268 118 S C -1.246 173.296 174.600 -0.098 0.000 1.130 118 S CA -0.535 57.497 58.200 -0.281 0.000 0.819 118 S CB 0.943 63.905 63.200 -0.397 0.000 1.100 118 S HN 1.390 nan 8.310 nan 0.000 0.465 119 S N 0.465 116.033 115.700 -0.220 0.000 2.609 119 S HA 0.499 4.970 4.470 0.001 0.000 0.250 119 S C -1.156 173.463 174.600 0.032 0.000 1.112 119 S CA -0.555 57.672 58.200 0.044 0.000 1.102 119 S CB 0.236 63.561 63.200 0.208 0.000 1.124 119 S HN 0.663 nan 8.310 nan 0.000 0.460 120 Y N 2.312 122.828 120.300 0.360 0.000 2.523 120 Y HA 0.384 4.934 4.550 0.000 0.000 0.279 120 Y C 1.595 177.781 175.900 0.476 0.000 1.139 120 Y CA 0.487 58.828 58.100 0.403 0.000 1.296 120 Y CB 0.007 38.726 38.460 0.432 0.000 1.045 120 Y HN 0.756 nan 8.280 nan 0.000 0.538 121 A N 2.417 125.572 122.820 0.559 0.000 2.477 121 A HA 0.188 4.509 4.320 0.001 0.000 0.246 121 A C -2.107 175.823 177.584 0.577 0.000 1.078 121 A CA -1.304 51.025 52.037 0.486 0.000 0.770 121 A CB -0.313 18.873 19.000 0.312 0.000 1.011 121 A HN 0.028 nan 8.150 nan 0.000 0.494 122 P HA 0.078 nan 4.420 nan 0.000 0.244 122 P C -0.152 177.272 177.300 0.206 0.000 1.723 122 P CA 0.643 64.022 63.100 0.466 0.000 1.110 122 P CB -0.142 31.887 31.700 0.548 0.000 1.972 123 M N 0.798 120.397 119.600 -0.003 0.000 2.560 123 M HA 0.326 4.807 4.480 0.001 0.000 0.297 123 M C 0.782 176.457 176.300 -1.042 0.000 1.201 123 M CA 0.072 55.057 55.300 -0.524 0.000 0.973 123 M CB 0.698 32.959 32.600 -0.565 0.000 1.401 123 M HN 0.257 nan 8.290 nan 0.000 0.497 124 G N 0.069 108.477 108.800 -0.653 0.000 2.494 124 G HA2 0.796 4.757 3.960 0.001 0.000 0.308 124 G HA3 0.796 4.757 3.960 0.001 0.000 0.308 124 G C -2.300 172.602 174.900 0.003 0.000 1.263 124 G CA -0.162 44.596 45.100 -0.570 0.000 0.840 124 G HN 0.265 nan 8.290 nan 0.000 0.479 125 A N -1.923 120.924 122.820 0.044 0.000 2.601 125 A HA 0.867 5.187 4.320 0.001 0.000 0.291 125 A C -0.423 177.043 177.584 -0.197 0.000 1.075 125 A CA 0.189 52.213 52.037 -0.021 0.000 0.671 125 A CB 1.289 20.285 19.000 -0.006 0.000 1.277 125 A HN 2.203 nan 8.150 nan 0.000 0.417 126 G N 0.029 108.627 108.800 -0.336 0.000 2.487 126 G HA2 0.571 4.532 3.960 0.001 0.000 0.314 126 G HA3 0.571 4.532 3.960 0.001 0.000 0.314 126 G C -0.914 173.984 174.900 -0.003 0.000 1.267 126 G CA -0.348 44.524 45.100 -0.380 0.000 0.937 126 G HN 0.937 nan 8.290 nan 0.000 0.481 127 V N 3.038 122.981 119.914 0.048 0.000 2.509 127 V HA 0.164 4.284 4.120 0.001 0.000 0.284 127 V C 0.627 176.801 176.094 0.135 0.000 1.047 127 V CA -0.560 61.795 62.300 0.091 0.000 0.952 127 V CB 1.709 33.562 31.823 0.048 0.000 0.988 127 V HN 0.545 nan 8.190 nan 0.000 0.469 128 V N 6.938 126.909 119.914 0.094 0.000 2.540 128 V HA 0.164 4.285 4.120 0.001 0.000 0.297 128 V C 0.368 176.454 176.094 -0.014 0.000 1.024 128 V CA 0.493 62.779 62.300 -0.023 0.000 1.105 128 V CB 0.608 32.409 31.823 -0.037 0.000 0.938 128 V HN 0.753 nan 8.190 nan 0.000 0.482 129 V N 1.699 121.599 119.914 -0.023 0.000 3.105 129 V HA 0.614 4.734 4.120 0.001 0.000 0.311 129 V C -0.306 175.790 176.094 0.004 0.000 1.282 129 V CA -1.224 61.089 62.300 0.021 0.000 1.065 129 V CB 1.728 33.604 31.823 0.089 0.000 1.136 129 V HN 0.630 nan 8.190 nan 0.000 0.469 130 D N 0.295 120.692 120.400 -0.006 0.000 2.358 130 D HA 0.475 5.116 4.640 0.001 0.000 0.258 130 D C 0.996 177.331 176.300 0.057 0.000 1.223 130 D CA 1.768 55.760 54.000 -0.013 0.000 0.886 130 D CB 0.248 41.017 40.800 -0.053 0.000 1.120 130 D HN 1.519 nan 8.370 nan 0.000 0.482 131 G N 2.121 110.975 108.800 0.090 0.000 2.141 131 G HA2 0.046 4.006 3.960 0.001 0.000 0.231 131 G HA3 0.046 4.006 3.960 0.001 0.000 0.231 131 G C 0.788 175.837 174.900 0.248 0.000 0.984 131 G CA 0.052 45.279 45.100 0.212 0.000 0.660 131 G HN 1.386 nan 8.290 nan 0.000 0.525 132 G N -1.242 107.543 108.800 -0.026 0.000 1.812 132 G HA2 0.419 4.379 3.960 0.001 0.000 0.053 132 G HA3 0.419 4.379 3.960 0.001 0.000 0.053 132 G C -0.612 173.750 174.900 -0.897 0.000 0.844 132 G CA 0.282 45.080 45.100 -0.503 0.000 1.151 132 G HN 1.203 nan 8.290 nan 0.000 0.362 133 Y N -0.565 119.670 120.300 -0.109 0.000 2.544 133 Y HA 0.716 5.266 4.550 0.001 0.000 0.342 133 Y C -0.617 175.271 175.900 -0.020 0.000 1.062 133 Y CA -0.698 57.368 58.100 -0.057 0.000 1.023 133 Y CB 2.236 40.672 38.460 -0.041 0.000 1.308 133 Y HN 0.669 nan 8.280 nan 0.000 0.457 134 L N 3.024 124.354 121.223 0.178 0.000 2.318 134 L HA 0.847 5.188 4.340 0.001 0.000 0.277 134 L C -1.775 175.103 176.870 0.013 0.000 1.008 134 L CA -0.410 54.506 54.840 0.127 0.000 0.846 134 L CB 0.850 42.986 42.059 0.128 0.000 1.220 134 L HN 0.452 nan 8.230 nan 0.000 0.423 135 V N 4.959 124.846 119.914 -0.045 0.000 2.547 135 V HA 0.616 4.736 4.120 0.001 0.000 0.299 135 V C -0.308 175.776 176.094 -0.015 0.000 1.040 135 V CA -0.634 61.586 62.300 -0.133 0.000 0.913 135 V CB 1.773 33.401 31.823 -0.325 0.000 0.992 135 V HN 0.835 nan 8.190 nan 0.000 0.449 136 N N 2.034 120.742 118.700 0.013 0.000 2.287 136 N HA 0.776 5.516 4.740 0.001 0.000 0.289 136 N C -0.382 175.123 175.510 -0.008 0.000 1.066 136 N CA -0.087 52.985 53.050 0.036 0.000 0.841 136 N CB 2.713 41.197 38.487 -0.005 0.000 1.599 136 N HN 1.023 nan 8.380 nan 0.000 0.476 137 G N -0.290 108.480 108.800 -0.051 0.000 2.325 137 G HA2 0.252 4.212 3.960 0.001 0.000 0.297 137 G HA3 0.252 4.212 3.960 0.001 0.000 0.297 137 G C -1.791 172.912 174.900 -0.329 0.000 1.448 137 G CA -0.439 44.381 45.100 -0.468 0.000 0.838 137 G HN 0.299 nan 8.290 nan 0.000 0.579 138 S N 0.511 115.927 115.700 -0.475 0.000 2.640 138 S HA 0.596 5.067 4.470 0.001 0.000 0.320 138 S C -0.850 173.599 174.600 -0.251 0.000 1.097 138 S CA -0.524 57.569 58.200 -0.177 0.000 1.092 138 S CB 0.560 63.712 63.200 -0.079 0.000 0.988 138 S HN 0.397 nan 8.310 nan 0.000 0.470 139 W N 3.798 125.119 121.300 0.034 0.000 2.551 139 W HA 0.362 5.022 4.660 0.001 0.000 0.330 139 W C 0.211 176.789 176.519 0.099 0.000 1.063 139 W CA -0.825 56.558 57.345 0.063 0.000 1.222 139 W CB 1.453 30.927 29.460 0.025 0.000 1.349 139 W HN 0.642 nan 8.180 nan 0.000 0.536 140 N N 0.016 118.935 118.700 0.366 0.000 2.518 140 N HA 0.301 5.042 4.740 0.001 0.000 0.284 140 N C -0.483 175.318 175.510 0.484 0.000 1.230 140 N CA -0.785 52.486 53.050 0.368 0.000 0.941 140 N CB 0.368 39.109 38.487 0.423 0.000 1.219 140 N HN 0.570 nan 8.380 nan 0.000 0.560 141 W N -1.753 119.628 121.300 0.136 0.000 3.105 141 W HA -0.205 4.455 4.660 0.000 0.000 0.308 141 W C -0.053 176.510 176.519 0.074 0.000 1.182 141 W CA 0.679 58.083 57.345 0.098 0.000 0.612 141 W CB -1.776 27.811 29.460 0.212 0.000 2.238 141 W HN 0.525 nan 8.180 nan 0.000 1.307 142 S N 1.443 117.242 115.700 0.166 0.000 3.065 142 S HA 0.349 4.819 4.470 0.001 0.000 0.311 142 S C 0.756 175.388 174.600 0.054 0.000 1.204 142 S CA 0.047 58.327 58.200 0.132 0.000 1.040 142 S CB -0.007 63.213 63.200 0.033 0.000 1.436 142 S HN 0.147 nan 8.310 nan 0.000 0.532 143 S N 3.424 119.229 115.700 0.176 0.000 2.546 143 S HA 0.325 4.796 4.470 0.001 0.000 0.290 143 S C 1.501 176.205 174.600 0.173 0.000 1.262 143 S CA 0.369 58.660 58.200 0.152 0.000 1.083 143 S CB 0.376 63.852 63.200 0.460 0.000 0.859 143 S HN 1.220 nan 8.310 nan 0.000 0.495 144 G N 1.455 110.312 108.800 0.097 0.000 2.168 144 G HA2 -0.386 3.574 3.960 0.001 0.000 0.263 144 G HA3 -0.386 3.574 3.960 0.001 0.000 0.263 144 G C 1.109 176.093 174.900 0.141 0.000 0.977 144 G CA 0.420 45.632 45.100 0.188 0.000 0.659 144 G HN 1.235 nan 8.290 nan 0.000 0.533 145 C N -1.139 118.194 119.300 0.055 0.000 2.398 145 C HA -0.056 4.404 4.460 0.001 0.000 0.279 145 C C 2.024 177.020 174.990 0.011 0.000 1.250 145 C CA 1.348 60.385 59.018 0.032 0.000 1.786 145 C CB -0.797 26.937 27.740 -0.010 0.000 2.018 145 C HN 0.484 nan 8.230 nan 0.000 0.494 146 D N 0.087 120.445 120.400 -0.071 0.000 2.315 146 D HA -0.116 4.524 4.640 0.001 0.000 0.211 146 D C 1.249 177.358 176.300 -0.318 0.000 0.977 146 D CA 1.242 55.114 54.000 -0.214 0.000 0.894 146 D CB -0.398 40.199 40.800 -0.338 0.000 0.910 146 D HN 0.743 nan 8.370 nan 0.000 0.490 147 H N -1.424 117.664 119.070 0.031 0.000 2.567 147 H HA 0.510 5.066 4.556 0.000 0.000 0.267 147 H C 0.016 175.352 175.328 0.013 0.000 1.148 147 H CA -0.111 55.950 56.048 0.023 0.000 1.031 147 H CB 0.805 30.588 29.762 0.035 0.000 1.691 147 H HN -0.043 nan 8.280 nan 0.000 0.588 148 A N 0.035 122.917 122.820 0.102 0.000 2.380 148 A HA 0.510 4.831 4.320 0.001 0.000 0.315 148 A C 0.564 178.186 177.584 0.062 0.000 1.101 148 A CA -0.527 51.560 52.037 0.084 0.000 0.771 148 A CB 1.439 20.487 19.000 0.080 0.000 1.287 148 A HN 0.129 nan 8.150 nan 0.000 0.436 149 S N -0.424 115.325 115.700 0.083 0.000 2.503 149 S HA 0.161 4.632 4.470 0.001 0.000 0.215 149 S C -0.331 174.197 174.600 -0.120 0.000 1.003 149 S CA 0.367 58.572 58.200 0.009 0.000 0.910 149 S CB -0.102 63.160 63.200 0.103 0.000 0.790 149 S HN 0.652 nan 8.310 nan 0.000 0.514 150 W N -0.072 121.147 121.300 -0.134 0.000 3.017 150 W HA 0.702 5.362 4.660 0.000 0.000 0.341 150 W C -0.123 176.227 176.519 -0.281 0.000 1.180 150 W CA -0.513 56.715 57.345 -0.195 0.000 1.097 150 W CB 0.936 30.154 29.460 -0.403 0.000 1.468 150 W HN -0.328 nan 8.180 nan 0.000 0.584 151 T N 0.841 115.287 114.554 -0.181 0.000 2.942 151 T HA 0.567 4.917 4.350 0.001 0.000 0.327 151 T C -1.627 172.703 174.700 -0.617 0.000 1.360 151 T CA -0.679 61.116 62.100 -0.508 0.000 1.055 151 T CB 0.351 68.841 68.868 -0.630 0.000 1.261 151 T HN 0.066 nan 8.240 nan 0.000 0.485 152 F N 2.531 122.217 119.950 -0.439 0.000 2.377 152 F HA 0.691 5.219 4.527 0.001 0.000 0.328 152 F C 0.513 175.968 175.800 -0.574 0.000 1.094 152 F CA -0.641 57.089 58.000 -0.449 0.000 1.093 152 F CB 1.390 40.130 39.000 -0.432 0.000 1.214 152 F HN 0.337 nan 8.300 nan 0.000 0.518 153 V N -0.561 119.136 119.914 -0.363 0.000 2.733 153 V HA 0.917 5.037 4.120 0.001 0.000 0.306 153 V C -0.257 175.608 176.094 -0.382 0.000 1.084 153 V CA -0.955 60.863 62.300 -0.804 0.000 0.905 153 V CB 0.972 31.724 31.823 -1.785 0.000 1.010 153 V HN 0.967 nan 8.190 nan 0.000 0.424 154 G N 1.382 110.094 108.800 -0.147 0.000 2.504 154 G HA2 0.828 4.789 3.960 0.001 0.000 0.288 154 G HA3 0.828 4.789 3.960 0.001 0.000 0.288 154 G C 0.196 175.272 174.900 0.293 0.000 1.182 154 G CA -0.222 45.002 45.100 0.207 0.000 0.894 154 G HN 2.152 nan 8.290 nan 0.000 0.521 155 G N 0.028 108.713 108.800 -0.193 0.000 2.337 155 G HA2 0.377 4.337 3.960 0.001 0.000 0.310 155 G HA3 0.377 4.337 3.960 0.001 0.000 0.310 155 G C -3.454 171.203 174.900 -0.404 0.000 1.534 155 G CA -0.844 44.132 45.100 -0.208 0.000 0.982 155 G HN 0.629 nan 8.290 nan 0.000 0.672 156 P HA 0.463 nan 4.420 nan 0.000 0.274 156 P C -0.104 177.238 177.300 0.070 0.000 1.237 156 P CA -0.502 62.593 63.100 -0.008 0.000 0.793 156 P CB 1.109 32.903 31.700 0.157 0.000 0.977 157 V N 3.178 123.119 119.914 0.046 0.000 2.383 157 V HA 0.198 4.318 4.120 0.001 0.000 0.275 157 V C 0.346 176.484 176.094 0.073 0.000 1.036 157 V CA -0.130 62.179 62.300 0.016 0.000 0.889 157 V CB 0.531 32.272 31.823 -0.137 0.000 0.985 157 V HN 0.350 nan 8.190 nan 0.000 0.459 158 I N 6.245 126.864 120.570 0.081 0.000 2.330 158 I HA 0.413 4.584 4.170 0.001 0.000 0.289 158 I C 0.070 176.229 176.117 0.070 0.000 1.001 158 I CA -0.054 61.288 61.300 0.071 0.000 1.193 158 I CB 1.291 39.324 38.000 0.056 0.000 1.345 158 I HN 0.442 nan 8.210 nan 0.000 0.461 159 K N 5.915 126.350 120.400 0.059 0.000 2.394 159 K HA 0.257 4.578 4.320 0.001 0.000 0.260 159 K C -0.519 176.102 176.600 0.035 0.000 0.967 159 K CA -0.269 56.044 56.287 0.044 0.000 0.855 159 K CB 0.834 33.358 32.500 0.039 0.000 1.101 159 K HN 0.550 nan 8.250 nan 0.000 0.433 160 D N 2.976 123.393 120.400 0.028 0.000 2.697 160 D HA -0.180 4.460 4.640 0.001 0.000 0.238 160 D C 0.216 176.532 176.300 0.027 0.000 1.152 160 D CA 2.219 56.233 54.000 0.023 0.000 0.666 160 D CB -0.948 39.864 40.800 0.020 0.000 1.037 160 D HN 1.148 nan 8.370 nan 0.000 0.423 161 G N 0.657 109.474 108.800 0.030 0.000 2.901 161 G HA2 0.067 4.027 3.960 0.001 0.000 0.654 161 G HA3 0.067 4.027 3.960 0.001 0.000 0.654 161 G C -0.436 174.488 174.900 0.040 0.000 1.550 161 G CA -0.009 45.111 45.100 0.032 0.000 0.978 161 G HN 0.748 nan 8.290 nan 0.000 0.566 162 R N -1.536 118.992 120.500 0.046 0.000 0.926 162 R HA -0.096 4.244 4.340 0.001 0.000 0.433 162 R C -2.980 173.361 176.300 0.069 0.000 1.365 162 R CA 0.684 56.817 56.100 0.055 0.000 1.133 162 R CB -1.484 28.846 30.300 0.049 0.000 3.323 162 R HN 0.733 nan 8.270 nan 0.000 0.520 163 P HA 0.224 nan 4.420 nan 0.000 0.297 163 P C 0.747 178.113 177.300 0.110 0.000 1.331 163 P CA -0.542 62.625 63.100 0.111 0.000 0.803 163 P CB 0.975 32.760 31.700 0.141 0.000 0.929 164 V N 0.465 120.444 119.914 0.108 0.000 2.627 164 V HA 0.297 4.417 4.120 0.001 0.000 0.239 164 V C 0.403 176.576 176.094 0.131 0.000 1.077 164 V CA 0.912 63.273 62.300 0.102 0.000 1.103 164 V CB -0.803 31.069 31.823 0.081 0.000 0.802 164 V HN 0.241 nan 8.190 nan 0.000 0.482 165 D N -1.640 118.845 120.400 0.143 0.000 2.493 165 D HA 0.656 5.296 4.640 0.001 0.000 0.239 165 D C -1.767 174.703 176.300 0.284 0.000 1.049 165 D CA -0.476 53.648 54.000 0.206 0.000 1.008 165 D CB 2.941 43.868 40.800 0.211 0.000 1.398 165 D HN 0.218 nan 8.370 nan 0.000 0.513 166 F N 0.420 120.474 119.950 0.173 0.000 2.561 166 F HA 0.692 5.219 4.527 0.001 0.000 0.313 166 F C 0.038 175.811 175.800 -0.044 0.000 1.126 166 F CA -0.024 58.075 58.000 0.166 0.000 0.918 166 F CB 1.703 40.835 39.000 0.220 0.000 1.199 166 F HN 0.424 nan 8.300 nan 0.000 0.444 167 G N 1.888 110.534 108.800 -0.257 0.000 2.604 167 G HA2 0.504 4.464 3.960 0.001 0.000 0.242 167 G HA3 0.504 4.464 3.960 0.001 0.000 0.242 167 G C -1.804 172.615 174.900 -0.802 0.000 1.208 167 G CA -0.775 43.768 45.100 -0.928 0.000 0.912 167 G HN 0.616 nan 8.290 nan 0.000 0.502 168 S N -0.531 114.626 115.700 -0.907 0.000 2.526 168 S HA 0.743 5.213 4.470 0.001 0.000 0.293 168 S C -1.463 172.877 174.600 -0.433 0.000 1.092 168 S CA -0.365 57.585 58.200 -0.417 0.000 0.980 168 S CB 1.413 64.509 63.200 -0.173 0.000 1.048 168 S HN 0.389 nan 8.310 nan 0.000 0.483 169 F N 1.797 121.719 119.950 -0.047 0.000 2.443 169 F HA 0.555 5.083 4.527 0.000 0.000 0.335 169 F C -0.172 175.601 175.800 -0.045 0.000 1.104 169 F CA -1.005 56.982 58.000 -0.021 0.000 1.013 169 F CB 0.998 39.917 39.000 -0.135 0.000 1.136 169 F HN 0.313 nan 8.300 nan 0.000 0.470 170 L N 5.457 126.738 121.223 0.096 0.000 2.265 170 L HA 0.628 4.968 4.340 0.001 0.000 0.289 170 L C -0.892 176.021 176.870 0.071 0.000 1.033 170 L CA -0.293 54.511 54.840 -0.061 0.000 0.814 170 L CB 0.195 42.049 42.059 -0.342 0.000 1.203 170 L HN 0.450 nan 8.230 nan 0.000 0.423 171 I N 6.139 126.744 120.570 0.059 0.000 2.647 171 I HA 0.502 4.672 4.170 0.001 0.000 0.295 171 I C -2.398 173.641 176.117 -0.130 0.000 1.078 171 I CA -2.040 59.265 61.300 0.008 0.000 1.048 171 I CB 2.350 40.352 38.000 0.003 0.000 1.239 171 I HN 0.444 nan 8.210 nan 0.000 0.421 172 P HA 0.274 nan 4.420 nan 0.000 0.281 172 P C 0.211 177.058 177.300 -0.754 0.000 1.249 172 P CA -0.607 61.800 63.100 -1.156 0.000 0.810 172 P CB 1.019 31.942 31.700 -1.295 0.000 1.008 173 R N 2.617 122.629 120.500 -0.813 0.000 2.140 173 R HA -0.210 4.130 4.340 0.001 0.000 0.250 173 R C 1.781 177.488 176.300 -0.989 0.000 1.150 173 R CA 2.742 58.232 56.100 -1.017 0.000 0.966 173 R CB -1.656 28.326 30.300 -0.530 0.000 0.869 173 R HN 0.553 nan 8.270 nan 0.000 0.445 174 S N -0.538 114.784 115.700 -0.630 0.000 2.500 174 S HA -0.080 4.390 4.470 0.001 0.000 0.239 174 S C 0.977 175.356 174.600 -0.369 0.000 0.989 174 S CA 1.242 59.186 58.200 -0.428 0.000 0.951 174 S CB -0.144 62.868 63.200 -0.314 0.000 0.759 174 S HN 0.561 nan 8.310 nan 0.000 0.523 175 E N 0.228 120.178 120.200 -0.417 0.000 2.548 175 E HA 0.216 4.567 4.350 0.001 0.000 0.206 175 E C -0.897 175.660 176.600 -0.073 0.000 1.005 175 E CA -0.385 55.894 56.400 -0.202 0.000 0.951 175 E CB 0.439 30.059 29.700 -0.133 0.000 1.035 175 E HN 0.874 nan 8.360 nan 0.000 0.470 176 Y N -1.626 118.608 120.300 -0.110 0.000 2.513 176 Y HA 0.468 5.019 4.550 0.001 0.000 0.340 176 Y C -0.735 175.133 175.900 -0.054 0.000 1.055 176 Y CA -1.579 56.482 58.100 -0.065 0.000 1.020 176 Y CB 0.733 39.153 38.460 -0.066 0.000 1.301 176 Y HN -0.223 nan 8.280 nan 0.000 0.453 177 E N 3.300 123.599 120.200 0.165 0.000 2.313 177 E HA 0.490 4.840 4.350 0.001 0.000 0.272 177 E C -1.250 175.460 176.600 0.183 0.000 1.038 177 E CA -0.712 55.748 56.400 0.100 0.000 0.863 177 E CB 0.990 30.730 29.700 0.067 0.000 1.060 177 E HN 0.800 nan 8.360 nan 0.000 0.402 178 I N 3.975 124.617 120.570 0.121 0.000 2.359 178 I HA 0.197 4.368 4.170 0.001 0.000 0.284 178 I C -0.336 175.823 176.117 0.069 0.000 1.018 178 I CA -0.782 60.586 61.300 0.112 0.000 1.173 178 I CB 1.244 39.301 38.000 0.096 0.000 1.326 178 I HN 0.291 nan 8.210 nan 0.000 0.462 179 K N 4.722 125.168 120.400 0.076 0.000 2.285 179 K HA 0.117 4.437 4.320 0.001 0.000 0.286 179 K C -0.250 176.394 176.600 0.073 0.000 1.072 179 K CA -0.328 56.003 56.287 0.073 0.000 0.913 179 K CB 0.372 32.921 32.500 0.080 0.000 1.067 179 K HN 0.324 nan 8.250 nan 0.000 0.479 180 D N 4.101 124.545 120.400 0.073 0.000 2.359 180 D HA 0.024 4.664 4.640 0.001 0.000 0.250 180 D C -0.178 176.202 176.300 0.134 0.000 1.264 180 D CA -0.075 53.969 54.000 0.074 0.000 0.911 180 D CB 0.356 41.197 40.800 0.069 0.000 1.056 180 D HN 0.284 nan 8.370 nan 0.000 0.499 181 V N 2.682 122.674 119.914 0.130 0.000 2.925 181 V HA 0.321 4.441 4.120 0.001 0.000 0.361 181 V C -0.062 176.129 176.094 0.161 0.000 1.361 181 V CA -1.044 61.372 62.300 0.193 0.000 1.184 181 V CB -0.342 31.582 31.823 0.168 0.000 1.245 181 V HN 0.511 nan 8.190 nan 0.000 0.575 182 W N 2.163 123.265 121.300 -0.329 0.000 2.120 182 W HA 0.543 5.204 4.660 0.001 0.000 0.371 182 W C -1.561 174.554 176.519 -0.673 0.000 0.865 182 W CA -0.610 56.477 57.345 -0.429 0.000 1.529 182 W CB 0.887 30.117 29.460 -0.383 0.000 1.623 182 W HN 0.474 nan 8.180 nan 0.000 0.325 183 Y N 3.909 123.990 120.300 -0.366 0.000 2.705 183 Y HA 0.233 4.783 4.550 0.000 0.000 0.355 183 Y C 0.281 175.910 175.900 -0.453 0.000 1.039 183 Y CA -0.717 57.182 58.100 -0.335 0.000 1.233 183 Y CB 0.210 38.574 38.460 -0.159 0.000 1.103 183 Y HN 0.067 nan 8.280 nan 0.000 0.624 184 V N -1.828 117.736 119.914 -0.584 0.000 3.158 184 V HA 0.549 4.669 4.120 0.001 0.000 0.311 184 V C 0.104 175.972 176.094 -0.377 0.000 1.181 184 V CA -0.803 61.157 62.300 -0.566 0.000 1.054 184 V CB 1.709 32.938 31.823 -0.990 0.000 1.085 184 V HN 0.145 nan 8.190 nan 0.000 0.446 185 V N 0.624 120.367 119.914 -0.287 0.000 3.235 185 V HA 0.536 4.656 4.120 0.001 0.000 0.259 185 V C 0.837 176.815 176.094 -0.193 0.000 1.133 185 V CA 1.657 63.837 62.300 -0.200 0.000 1.128 185 V CB -0.135 31.585 31.823 -0.171 0.000 0.757 185 V HN 1.377 nan 8.190 nan 0.000 0.469 186 G N -1.807 106.861 108.800 -0.219 0.000 2.690 186 G HA2 0.495 4.455 3.960 0.001 0.000 0.291 186 G HA3 0.495 4.455 3.960 0.001 0.000 0.291 186 G C -0.307 174.515 174.900 -0.130 0.000 1.403 186 G CA -0.497 44.506 45.100 -0.161 0.000 0.864 186 G HN 0.259 nan 8.290 nan 0.000 0.480 187 L N -0.400 120.778 121.223 -0.074 0.000 3.858 187 L HA -0.283 4.057 4.340 0.001 0.000 0.425 187 L C 2.449 179.428 176.870 0.181 0.000 1.177 187 L CA 0.352 55.188 54.840 -0.007 0.000 0.943 187 L CB -0.969 41.005 42.059 -0.142 0.000 1.861 187 L HN 0.719 nan 8.230 nan 0.000 0.985 188 R N 0.609 121.149 120.500 0.066 0.000 2.112 188 R HA -0.186 4.155 4.340 0.001 0.000 0.242 188 R C 2.049 178.526 176.300 0.295 0.000 1.137 188 R CA 1.920 58.072 56.100 0.087 0.000 0.944 188 R CB -0.463 29.814 30.300 -0.039 0.000 0.857 188 R HN 0.600 nan 8.270 nan 0.000 0.435 189 G N 0.109 109.004 108.800 0.159 0.000 2.990 189 G HA2 -0.151 3.809 3.960 0.001 0.000 0.206 189 G HA3 -0.151 3.809 3.960 0.001 0.000 0.206 189 G C 1.182 176.152 174.900 0.117 0.000 1.169 189 G CA 0.826 46.004 45.100 0.130 0.000 0.819 189 G HN 0.481 nan 8.290 nan 0.000 0.517 190 T N -2.948 111.674 114.554 0.113 0.000 3.043 190 T HA 0.259 4.610 4.350 0.001 0.000 0.263 190 T C 1.927 176.492 174.700 -0.225 0.000 1.094 190 T CA 0.893 62.992 62.100 -0.002 0.000 1.127 190 T CB -0.124 68.738 68.868 -0.010 0.000 0.905 190 T HN 1.165 nan 8.240 nan 0.000 0.490 191 G N 1.371 109.909 108.800 -0.436 0.000 2.323 191 G HA2 -0.248 3.712 3.960 0.001 0.000 0.292 191 G HA3 -0.248 3.712 3.960 0.001 0.000 0.292 191 G C 0.222 174.662 174.900 -0.767 0.000 1.040 191 G CA 0.250 45.051 45.100 -0.498 0.000 0.942 191 G HN 0.647 nan 8.290 nan 0.000 0.506 192 S N 0.229 114.929 115.700 -1.668 0.000 3.811 192 S HA 0.190 4.661 4.470 0.001 0.000 0.205 192 S C 1.122 175.225 174.600 -0.828 0.000 1.445 192 S CA -0.071 57.373 58.200 -1.260 0.000 1.097 192 S CB -0.211 61.981 63.200 -1.679 0.000 1.350 192 S HN 0.738 nan 8.310 nan 0.000 0.471 193 N N 0.934 119.396 118.700 -0.397 0.000 2.262 193 N HA 0.157 4.897 4.740 0.001 0.000 0.260 193 N C 0.062 175.566 175.510 -0.010 0.000 1.305 193 N CA 0.117 53.098 53.050 -0.114 0.000 0.913 193 N CB 0.310 38.763 38.487 -0.057 0.000 1.116 193 N HN 0.103 nan 8.380 nan 0.000 0.512 194 T N 0.685 115.275 114.554 0.060 0.000 2.823 194 T HA 0.436 4.786 4.350 0.001 0.000 0.279 194 T C -0.643 174.122 174.700 0.110 0.000 0.998 194 T CA -0.553 61.614 62.100 0.112 0.000 0.994 194 T CB 0.437 69.384 68.868 0.131 0.000 0.960 194 T HN 0.178 nan 8.240 nan 0.000 0.448 195 L N 3.354 124.660 121.223 0.137 0.000 2.280 195 L HA 0.579 4.919 4.340 0.001 0.000 0.287 195 L C -0.504 176.488 176.870 0.204 0.000 1.023 195 L CA -1.029 53.880 54.840 0.115 0.000 0.819 195 L CB 1.381 43.405 42.059 -0.058 0.000 1.212 195 L HN 0.281 nan 8.230 nan 0.000 0.420 196 V N 4.831 124.856 119.914 0.185 0.000 2.333 196 V HA 0.271 4.391 4.120 0.001 0.000 0.274 196 V C 0.103 176.310 176.094 0.189 0.000 1.028 196 V CA -0.478 61.923 62.300 0.167 0.000 0.851 196 V CB 1.855 33.742 31.823 0.106 0.000 1.000 196 V HN 0.446 nan 8.190 nan 0.000 0.456 197 V N 5.726 125.774 119.914 0.223 0.000 2.328 197 V HA 0.443 4.563 4.120 0.001 0.000 0.278 197 V C 0.090 176.258 176.094 0.122 0.000 1.021 197 V CA -0.749 61.669 62.300 0.196 0.000 0.838 197 V CB 1.364 33.346 31.823 0.265 0.000 0.999 197 V HN 0.769 nan 8.190 nan 0.000 0.447 198 K N 3.558 124.005 120.400 0.079 0.000 2.394 198 K HA 0.305 4.626 4.320 0.001 0.000 0.260 198 K C -0.586 176.037 176.600 0.039 0.000 0.967 198 K CA -0.460 55.855 56.287 0.047 0.000 0.855 198 K CB 0.787 33.307 32.500 0.033 0.000 1.101 198 K HN 0.716 nan 8.250 nan 0.000 0.433 199 D N 1.530 121.951 120.400 0.036 0.000 2.686 199 D HA -0.149 4.492 4.640 0.001 0.000 0.235 199 D C -0.774 175.560 176.300 0.056 0.000 1.160 199 D CA 0.707 54.731 54.000 0.040 0.000 0.645 199 D CB -0.843 39.976 40.800 0.030 0.000 1.039 199 D HN 0.139 nan 8.370 nan 0.000 0.423 200 V N 1.398 121.346 119.914 0.055 0.000 2.407 200 V HA 0.314 4.434 4.120 0.001 0.000 0.278 200 V C 0.445 176.600 176.094 0.101 0.000 1.037 200 V CA -0.883 61.455 62.300 0.064 0.000 0.900 200 V CB 1.238 33.079 31.823 0.029 0.000 0.983 200 V HN 0.168 nan 8.190 nan 0.000 0.459 201 F N 6.673 126.627 119.950 0.007 0.000 2.456 201 F HA 0.543 5.070 4.527 0.001 0.000 0.358 201 F C -0.111 175.719 175.800 0.050 0.000 1.095 201 F CA -0.162 57.854 58.000 0.027 0.000 1.216 201 F CB 0.954 39.964 39.000 0.017 0.000 1.125 201 F HN 0.240 nan 8.300 nan 0.000 0.549 202 V N 8.438 127.889 119.914 -0.773 0.000 2.407 202 V HA 0.354 4.474 4.120 0.001 0.000 0.291 202 V C -2.120 173.474 176.094 -0.834 0.000 1.018 202 V CA -1.875 60.086 62.300 -0.566 0.000 0.842 202 V CB 1.405 33.175 31.823 -0.089 0.000 0.996 202 V HN 0.662 nan 8.190 nan 0.000 0.426 203 P HA 0.109 nan 4.420 nan 0.000 0.269 203 P C 0.517 177.714 177.300 -0.172 0.000 1.215 203 P CA -0.179 62.684 63.100 -0.395 0.000 0.780 203 P CB 1.296 32.853 31.700 -0.239 0.000 0.898 204 R N 1.656 122.168 120.500 0.019 0.000 2.200 204 R HA -0.176 4.164 4.340 0.001 0.000 0.234 204 R C 2.117 178.538 176.300 0.201 0.000 1.127 204 R CA 1.386 57.584 56.100 0.164 0.000 0.989 204 R CB -0.470 29.892 30.300 0.104 0.000 0.869 204 R HN 0.646 nan 8.270 nan 0.000 0.459 205 H N -2.011 117.145 119.070 0.144 0.000 2.539 205 H HA 0.125 4.681 4.556 0.001 0.000 0.267 205 H C 0.552 175.974 175.328 0.157 0.000 0.982 205 H CA 0.205 56.324 56.048 0.119 0.000 1.146 205 H CB 0.186 29.994 29.762 0.077 0.000 1.382 205 H HN 0.099 nan 8.280 nan 0.000 0.577 206 R N 0.193 120.583 120.500 -0.184 0.000 2.633 206 R HA 0.148 4.488 4.340 0.001 0.000 0.348 206 R C -1.171 175.248 176.300 0.199 0.000 1.100 206 R CA -0.338 55.752 56.100 -0.016 0.000 1.068 206 R CB 0.269 30.459 30.300 -0.182 0.000 1.351 206 R HN 0.114 nan 8.270 nan 0.000 0.575 207 F N 1.097 121.045 119.950 -0.004 0.000 2.518 207 F HA 0.428 4.955 4.527 0.000 0.000 0.323 207 F C -1.531 174.016 175.800 -0.422 0.000 1.129 207 F CA -1.480 56.337 58.000 -0.305 0.000 0.920 207 F CB 1.262 39.907 39.000 -0.592 0.000 1.160 207 F HN -0.183 nan 8.300 nan 0.000 0.440 208 L N 5.583 125.887 121.223 -1.532 0.000 2.333 208 L HA 0.578 4.918 4.340 0.001 0.000 0.280 208 L C -0.559 175.302 176.870 -1.682 0.000 1.004 208 L CA -0.205 53.661 54.840 -1.623 0.000 0.820 208 L CB 1.657 42.421 42.059 -2.157 0.000 1.247 208 L HN 0.637 nan 8.230 nan 0.000 0.416 209 S N 3.222 118.231 115.700 -1.151 0.000 2.584 209 S HA 0.276 4.746 4.470 0.001 0.000 0.273 209 S C 0.790 175.110 174.600 -0.467 0.000 1.311 209 S CA -0.089 57.667 58.200 -0.739 0.000 1.034 209 S CB 0.480 63.530 63.200 -0.250 0.000 0.939 209 S HN 0.553 nan 8.310 nan 0.000 0.513 210 Y N 2.909 123.079 120.300 -0.215 0.000 2.220 210 Y HA 0.046 4.596 4.550 0.001 0.000 0.291 210 Y C 2.331 178.184 175.900 -0.078 0.000 1.129 210 Y CA 1.240 59.241 58.100 -0.164 0.000 1.161 210 Y CB -0.852 37.573 38.460 -0.058 0.000 0.997 210 Y HN 0.677 nan 8.280 nan 0.000 0.522 211 K N 0.789 121.264 120.400 0.125 0.000 2.059 211 K HA -0.239 4.081 4.320 0.001 0.000 0.212 211 K C 2.220 178.845 176.600 0.041 0.000 1.050 211 K CA 1.763 58.101 56.287 0.086 0.000 0.927 211 K CB -0.749 31.800 32.500 0.082 0.000 0.714 211 K HN 0.203 nan 8.250 nan 0.000 0.447 212 A N 0.510 123.316 122.820 -0.023 0.000 1.865 212 A HA -0.227 4.093 4.320 0.001 0.000 0.217 212 A C 2.301 179.871 177.584 -0.024 0.000 1.191 212 A CA 2.352 54.358 52.037 -0.052 0.000 0.623 212 A CB -0.686 18.225 19.000 -0.148 0.000 0.826 212 A HN 0.452 nan 8.150 nan 0.000 0.444 213 M N -0.401 119.166 119.600 -0.054 0.000 2.089 213 M HA -0.278 4.202 4.480 0.001 0.000 0.257 213 M C 1.891 178.278 176.300 0.144 0.000 1.071 213 M CA 2.308 57.611 55.300 0.004 0.000 1.096 213 M CB -0.807 31.790 32.600 -0.005 0.000 1.330 213 M HN 0.601 nan 8.290 nan 0.000 0.403 214 N N -0.009 118.778 118.700 0.146 0.000 2.149 214 N HA -0.170 4.570 4.740 0.001 0.000 0.188 214 N C 1.008 176.622 175.510 0.173 0.000 1.019 214 N CA 1.266 54.421 53.050 0.175 0.000 0.857 214 N CB -0.149 38.414 38.487 0.126 0.000 0.997 214 N HN 0.315 nan 8.380 nan 0.000 0.426 215 D N -0.409 120.071 120.400 0.134 0.000 2.317 215 D HA -0.037 4.603 4.640 0.001 0.000 0.211 215 D C -0.161 176.241 176.300 0.169 0.000 0.966 215 D CA 0.716 54.768 54.000 0.086 0.000 0.876 215 D CB -0.033 40.801 40.800 0.056 0.000 0.927 215 D HN 0.247 nan 8.370 nan 0.000 0.519 216 H N -1.390 117.690 119.070 0.016 0.000 2.880 216 H HA -0.134 4.422 4.556 0.001 0.000 0.304 216 H C 0.859 176.180 175.328 -0.011 0.000 1.259 216 H CA 0.848 56.902 56.048 0.009 0.000 1.153 216 H CB -2.394 27.383 29.762 0.025 0.000 1.395 216 H HN 0.239 nan 8.280 nan 0.000 0.420 217 T N -3.502 111.094 114.554 0.070 0.000 3.145 217 T HA 0.616 4.967 4.350 0.001 0.000 0.281 217 T C 0.857 175.530 174.700 -0.045 0.000 1.003 217 T CA 0.129 62.238 62.100 0.014 0.000 0.901 217 T CB 0.163 69.040 68.868 0.016 0.000 1.112 217 T HN 0.627 nan 8.240 nan 0.000 0.535 218 A N 0.782 123.550 122.820 -0.086 0.000 2.524 218 A HA 0.579 4.900 4.320 0.001 0.000 0.250 218 A C 1.801 179.303 177.584 -0.138 0.000 1.078 218 A CA 0.182 52.120 52.037 -0.165 0.000 0.761 218 A CB -0.314 18.547 19.000 -0.232 0.000 1.012 218 A HN 0.550 nan 8.150 nan 0.000 0.500 219 G N 2.887 111.607 108.800 -0.134 0.000 2.505 219 G HA2 -0.165 3.795 3.960 0.001 0.000 0.220 219 G HA3 -0.165 3.795 3.960 0.001 0.000 0.220 219 G C 1.414 176.268 174.900 -0.077 0.000 1.145 219 G CA 1.252 46.302 45.100 -0.082 0.000 0.761 219 G HN 1.242 nan 8.290 nan 0.000 0.571 220 G N 0.380 109.119 108.800 -0.102 0.000 2.498 220 G HA2 -0.063 3.897 3.960 0.001 0.000 0.219 220 G HA3 -0.063 3.897 3.960 0.001 0.000 0.219 220 G C 1.655 176.483 174.900 -0.120 0.000 1.119 220 G CA 0.388 45.433 45.100 -0.092 0.000 0.766 220 G HN 0.454 nan 8.290 nan 0.000 0.552 221 L N 0.207 121.357 121.223 -0.121 0.000 2.291 221 L HA 0.018 4.358 4.340 0.001 0.000 0.214 221 L C 3.268 180.102 176.870 -0.062 0.000 1.120 221 L CA 0.547 55.325 54.840 -0.103 0.000 0.799 221 L CB -0.260 41.741 42.059 -0.097 0.000 0.925 221 L HN 0.316 nan 8.230 nan 0.000 0.446 222 A N 0.576 123.365 122.820 -0.052 0.000 1.865 222 A HA -0.233 4.087 4.320 0.001 0.000 0.217 222 A C 2.426 179.987 177.584 -0.039 0.000 1.191 222 A CA 2.545 54.562 52.037 -0.035 0.000 0.623 222 A CB -0.909 18.074 19.000 -0.029 0.000 0.826 222 A HN 0.481 nan 8.150 nan 0.000 0.444 223 T N -1.759 112.764 114.554 -0.052 0.000 2.851 223 T HA 0.001 4.351 4.350 0.001 0.000 0.262 223 T C 0.606 175.262 174.700 -0.074 0.000 1.043 223 T CA 0.712 62.773 62.100 -0.064 0.000 1.140 223 T CB -0.345 68.481 68.868 -0.070 0.000 0.872 223 T HN 0.319 nan 8.240 nan 0.000 0.446 224 N N 2.618 121.259 118.700 -0.099 0.000 2.645 224 N HA 0.297 5.037 4.740 0.001 0.000 0.233 224 N C 0.271 175.778 175.510 -0.005 0.000 1.058 224 N CA -0.001 52.975 53.050 -0.122 0.000 0.942 224 N CB 1.293 39.536 38.487 -0.407 0.000 1.210 224 N HN 0.558 nan 8.380 nan 0.000 0.512 225 S N -0.783 114.954 115.700 0.063 0.000 2.554 225 S HA 0.269 4.739 4.470 0.001 0.000 0.226 225 S C 0.877 175.551 174.600 0.123 0.000 0.980 225 S CA -0.664 57.581 58.200 0.074 0.000 0.939 225 S CB 0.283 63.501 63.200 0.030 0.000 0.832 225 S HN 0.479 nan 8.310 nan 0.000 0.486 226 A N 3.068 126.014 122.820 0.209 0.000 2.555 226 A HA 0.412 4.732 4.320 0.001 0.000 0.233 226 A C -0.917 176.739 177.584 0.120 0.000 1.060 226 A CA -0.912 51.220 52.037 0.157 0.000 0.759 226 A CB -0.213 18.884 19.000 0.162 0.000 0.995 226 A HN 0.272 nan 8.150 nan 0.000 0.506 227 P HA -0.167 nan 4.420 nan 0.000 0.216 227 P C 1.578 178.977 177.300 0.165 0.000 1.153 227 P CA 1.242 64.389 63.100 0.078 0.000 0.858 227 P CB -0.036 31.634 31.700 -0.050 0.000 0.789 228 V N -1.311 118.704 119.914 0.168 0.000 2.546 228 V HA -0.239 3.881 4.120 0.001 0.000 0.254 228 V C 1.407 177.548 176.094 0.079 0.000 1.076 228 V CA 1.762 64.102 62.300 0.065 0.000 1.087 228 V CB -1.296 30.371 31.823 -0.259 0.000 0.674 228 V HN 0.068 nan 8.190 nan 0.000 0.470 229 Y N 0.435 120.831 120.300 0.161 0.000 2.519 229 Y HA 0.172 4.722 4.550 0.000 0.000 0.311 229 Y C 1.943 177.803 175.900 -0.066 0.000 1.207 229 Y CA 0.318 58.362 58.100 -0.093 0.000 1.289 229 Y CB -0.280 38.035 38.460 -0.242 0.000 1.059 229 Y HN 0.330 nan 8.280 nan 0.000 0.507 230 K N -0.798 119.697 120.400 0.158 0.000 2.402 230 K HA 0.209 4.529 4.320 0.001 0.000 0.204 230 K C 0.172 176.903 176.600 0.220 0.000 1.056 230 K CA -0.119 56.182 56.287 0.024 0.000 1.069 230 K CB 0.499 32.974 32.500 -0.042 0.000 0.888 230 K HN 0.125 nan 8.250 nan 0.000 0.546 231 M N 2.531 122.351 119.600 0.366 0.000 2.249 231 M HA 0.121 4.601 4.480 0.001 0.000 0.340 231 M C -2.342 174.173 176.300 0.359 0.000 1.166 231 M CA -1.637 53.851 55.300 0.314 0.000 1.115 231 M CB -0.649 32.085 32.600 0.223 0.000 1.606 231 M HN -0.185 nan 8.290 nan 0.000 0.448 232 P HA -0.048 nan 4.420 nan 0.000 0.271 232 P C 0.622 178.046 177.300 0.208 0.000 1.216 232 P CA -0.078 63.160 63.100 0.231 0.000 0.771 232 P CB 0.411 32.184 31.700 0.121 0.000 0.864 233 W N 3.926 125.262 121.300 0.059 0.000 2.321 233 W HA -0.199 4.461 4.660 0.001 0.000 0.306 233 W C 1.683 178.122 176.519 -0.134 0.000 1.217 233 W CA 1.903 59.208 57.345 -0.067 0.000 1.257 233 W CB -0.646 28.744 29.460 -0.116 0.000 1.145 233 W HN 0.518 nan 8.180 nan 0.000 0.509 234 G N -0.446 108.307 108.800 -0.078 0.000 2.470 234 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 234 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 234 G C 1.284 176.023 174.900 -0.269 0.000 1.121 234 G CA 1.502 46.477 45.100 -0.208 0.000 0.766 234 G HN 0.313 nan 8.290 nan 0.000 0.553 235 T N -0.049 114.365 114.554 -0.233 0.000 3.033 235 T HA 0.095 4.446 4.350 0.001 0.000 0.248 235 T C 2.212 176.698 174.700 -0.356 0.000 1.040 235 T CA 0.677 62.616 62.100 -0.268 0.000 1.133 235 T CB 0.034 68.793 68.868 -0.181 0.000 0.895 235 T HN 0.151 nan 8.240 nan 0.000 0.465 236 M N 0.846 120.225 119.600 -0.368 0.000 2.156 236 M HA 0.022 4.503 4.480 0.001 0.000 0.264 236 M C 1.966 177.952 176.300 -0.524 0.000 1.067 236 M CA 1.586 56.622 55.300 -0.440 0.000 1.131 236 M CB -0.353 31.828 32.600 -0.699 0.000 1.368 236 M HN 0.269 nan 8.290 nan 0.000 0.416 237 H N -0.389 118.111 119.070 -0.950 0.000 2.307 237 H HA 0.070 4.626 4.556 0.001 0.000 0.303 237 H C -1.125 173.774 175.328 -0.715 0.000 1.073 237 H CA 1.585 56.963 56.048 -1.117 0.000 1.338 237 H CB -1.519 27.020 29.762 -2.039 0.000 1.389 237 H HN 0.173 nan 8.280 nan 0.000 0.503 238 P HA -0.089 nan 4.420 nan 0.000 0.218 238 P C 1.357 178.286 177.300 -0.618 0.000 1.149 238 P CA 2.047 64.719 63.100 -0.713 0.000 0.817 238 P CB -0.066 31.337 31.700 -0.495 0.000 0.785 239 T N -1.659 112.528 114.554 -0.612 0.000 2.867 239 T HA -0.146 4.204 4.350 0.001 0.000 0.268 239 T C 1.865 176.131 174.700 -0.723 0.000 1.057 239 T CA 1.879 63.539 62.100 -0.733 0.000 1.136 239 T CB -1.093 67.182 68.868 -0.989 0.000 0.874 239 T HN 0.206 nan 8.240 nan 0.000 0.466 240 T N 1.263 115.534 114.554 -0.471 0.000 2.915 240 T HA -0.047 4.303 4.350 0.001 0.000 0.269 240 T C 1.735 176.199 174.700 -0.393 0.000 1.071 240 T CA 0.608 62.611 62.100 -0.161 0.000 1.132 240 T CB -0.279 68.573 68.868 -0.027 0.000 0.878 240 T HN 0.151 nan 8.240 nan 0.000 0.479 241 I N 0.591 120.811 120.570 -0.584 0.000 2.400 241 I HA 0.073 4.243 4.170 0.001 0.000 0.248 241 I C 2.668 178.590 176.117 -0.324 0.000 1.109 241 I CA 0.837 61.742 61.300 -0.657 0.000 1.425 241 I CB -1.370 36.147 38.000 -0.805 0.000 1.094 241 I HN 0.228 nan 8.210 nan 0.000 0.425 242 S N 1.148 116.670 115.700 -0.296 0.000 2.395 242 S HA 0.021 4.491 4.470 0.001 0.000 0.225 242 S C 2.269 176.834 174.600 -0.057 0.000 1.027 242 S CA 1.027 59.134 58.200 -0.156 0.000 0.965 242 S CB -0.156 62.922 63.200 -0.203 0.000 0.812 242 S HN 0.474 nan 8.310 nan 0.000 0.482 243 A N 2.608 125.367 122.820 -0.102 0.000 1.873 243 A HA -0.087 4.233 4.320 0.001 0.000 0.218 243 A C -0.155 177.514 177.584 0.142 0.000 1.193 243 A CA 1.756 53.858 52.037 0.109 0.000 0.629 243 A CB -1.938 17.128 19.000 0.111 0.000 0.826 243 A HN 0.390 nan 8.150 nan 0.000 0.447 244 P HA -0.096 nan 4.420 nan 0.000 0.218 244 P C 1.369 178.779 177.300 0.183 0.000 1.149 244 P CA 0.885 64.071 63.100 0.144 0.000 0.817 244 P CB -0.165 31.653 31.700 0.196 0.000 0.785 245 I N -1.172 119.514 120.570 0.194 0.000 2.226 245 I HA -0.205 3.965 4.170 0.001 0.000 0.245 245 I C 2.217 178.390 176.117 0.095 0.000 1.100 245 I CA 1.282 62.679 61.300 0.163 0.000 1.374 245 I CB -0.830 37.258 38.000 0.147 0.000 1.057 245 I HN -0.172 nan 8.210 nan 0.000 0.413 246 V N 1.282 121.260 119.914 0.106 0.000 2.287 246 V HA -0.271 3.850 4.120 0.001 0.000 0.248 246 V C 2.670 178.836 176.094 0.120 0.000 1.053 246 V CA 2.320 64.693 62.300 0.121 0.000 1.027 246 V CB -1.541 30.449 31.823 0.278 0.000 0.646 246 V HN 0.594 nan 8.190 nan 0.000 0.447 247 G N -0.677 108.171 108.800 0.080 0.000 2.469 247 G HA2 -0.331 3.629 3.960 0.001 0.000 0.220 247 G HA3 -0.331 3.629 3.960 0.001 0.000 0.220 247 G C 1.608 176.495 174.900 -0.022 0.000 1.136 247 G CA 1.411 46.521 45.100 0.016 0.000 0.759 247 G HN 0.469 nan 8.290 nan 0.000 0.562 248 M N 0.690 120.287 119.600 -0.004 0.000 2.159 248 M HA 0.014 4.495 4.480 0.001 0.000 0.263 248 M C 3.024 179.158 176.300 -0.276 0.000 1.063 248 M CA 1.346 56.587 55.300 -0.098 0.000 1.110 248 M CB -0.191 32.489 32.600 0.133 0.000 1.374 248 M HN 0.314 nan 8.290 nan 0.000 0.411 249 A N -0.441 122.298 122.820 -0.134 0.000 1.898 249 A HA -0.173 4.148 4.320 0.001 0.000 0.216 249 A C 1.860 179.313 177.584 -0.220 0.000 1.181 249 A CA 1.375 53.314 52.037 -0.163 0.000 0.620 249 A CB -1.094 17.804 19.000 -0.170 0.000 0.819 249 A HN 0.472 nan 8.150 nan 0.000 0.442 250 Y N 0.180 120.356 120.300 -0.206 0.000 2.165 250 Y HA -0.186 4.364 4.550 0.001 0.000 0.286 250 Y C 2.791 178.563 175.900 -0.213 0.000 1.155 250 Y CA 1.298 59.280 58.100 -0.197 0.000 1.164 250 Y CB -0.656 37.653 38.460 -0.252 0.000 0.978 250 Y HN 0.364 nan 8.280 nan 0.000 0.513 251 G N -0.663 107.935 108.800 -0.336 0.000 2.433 251 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 251 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 251 G C 1.908 176.450 174.900 -0.596 0.000 1.186 251 G CA 0.995 45.682 45.100 -0.690 0.000 0.779 251 G HN 0.479 nan 8.290 nan 0.000 0.543 252 A N -0.122 122.272 122.820 -0.710 0.000 1.940 252 A HA -0.106 4.214 4.320 0.001 0.000 0.219 252 A C 2.203 179.847 177.584 0.100 0.000 1.176 252 A CA 1.855 53.865 52.037 -0.044 0.000 0.631 252 A CB -0.681 18.353 19.000 0.057 0.000 0.814 252 A HN 0.542 nan 8.150 nan 0.000 0.446 253 Y N 0.339 120.605 120.300 -0.057 0.000 2.163 253 Y HA -0.049 4.501 4.550 0.000 0.000 0.288 253 Y C 2.664 178.614 175.900 0.083 0.000 1.136 253 Y CA 1.467 59.579 58.100 0.020 0.000 1.147 253 Y CB -0.452 37.974 38.460 -0.056 0.000 0.987 253 Y HN 0.307 nan 8.280 nan 0.000 0.509 254 A N 0.673 123.623 122.820 0.217 0.000 1.902 254 A HA -0.148 4.172 4.320 0.001 0.000 0.217 254 A C 2.401 180.031 177.584 0.076 0.000 1.181 254 A CA 1.916 54.039 52.037 0.143 0.000 0.623 254 A CB -1.572 17.522 19.000 0.158 0.000 0.818 254 A HN 0.639 nan 8.150 nan 0.000 0.443 255 A N -0.529 122.372 122.820 0.135 0.000 1.849 255 A HA -0.261 4.060 4.320 0.001 0.000 0.217 255 A C 2.064 179.725 177.584 0.127 0.000 1.202 255 A CA 2.349 54.483 52.037 0.162 0.000 0.629 255 A CB -1.179 17.979 19.000 0.263 0.000 0.834 255 A HN 0.797 nan 8.150 nan 0.000 0.447 256 H N -0.591 118.495 119.070 0.028 0.000 2.352 256 H HA -0.100 4.457 4.556 0.001 0.000 0.299 256 H C 1.815 177.115 175.328 -0.047 0.000 1.097 256 H CA 2.040 58.096 56.048 0.013 0.000 1.311 256 H CB -0.329 29.412 29.762 -0.036 0.000 1.377 256 H HN 0.114 nan 8.280 nan 0.000 0.504 257 V N 0.592 120.357 119.914 -0.248 0.000 2.295 257 V HA -0.248 3.872 4.120 0.001 0.000 0.246 257 V C 2.427 178.409 176.094 -0.187 0.000 1.049 257 V CA 2.222 64.337 62.300 -0.308 0.000 1.024 257 V CB -0.567 31.070 31.823 -0.310 0.000 0.648 257 V HN 0.531 nan 8.190 nan 0.000 0.447 258 E N -0.317 119.834 120.200 -0.082 0.000 2.035 258 E HA -0.365 3.985 4.350 0.001 0.000 0.204 258 E C 2.185 178.757 176.600 -0.047 0.000 1.025 258 E CA 2.276 58.656 56.400 -0.033 0.000 0.835 258 E CB -0.282 29.433 29.700 0.025 0.000 0.764 258 E HN 0.827 nan 8.360 nan 0.000 0.457 259 H N -0.325 118.677 119.070 -0.114 0.000 2.421 259 H HA -0.120 4.436 4.556 0.000 0.000 0.298 259 H C 1.997 177.223 175.328 -0.170 0.000 1.087 259 H CA 2.047 58.028 56.048 -0.113 0.000 1.330 259 H CB 0.014 29.730 29.762 -0.077 0.000 1.388 259 H HN 0.069 nan 8.280 nan 0.000 0.526 260 Q N -0.069 119.456 119.800 -0.457 0.000 2.331 260 Q HA 0.101 4.441 4.340 0.001 0.000 0.203 260 Q C 2.384 178.192 176.000 -0.319 0.000 0.944 260 Q CA 1.030 56.527 55.803 -0.510 0.000 0.892 260 Q CB -0.376 28.002 28.738 -0.599 0.000 0.983 260 Q HN 0.594 nan 8.270 nan 0.000 0.482 261 G N 1.200 109.857 108.800 -0.237 0.000 2.453 261 G HA2 -0.316 3.645 3.960 0.001 0.000 0.215 261 G HA3 -0.316 3.645 3.960 0.001 0.000 0.215 261 G C 1.236 176.057 174.900 -0.131 0.000 1.201 261 G CA 1.194 46.205 45.100 -0.150 0.000 0.784 261 G HN 0.535 nan 8.290 nan 0.000 0.545 262 K N 0.193 120.515 120.400 -0.129 0.000 2.020 262 K HA -0.117 4.203 4.320 0.001 0.000 0.212 262 K C 2.416 178.938 176.600 -0.130 0.000 1.050 262 K CA 1.353 57.577 56.287 -0.106 0.000 0.929 262 K CB -0.494 31.954 32.500 -0.087 0.000 0.714 262 K HN 0.171 nan 8.250 nan 0.000 0.443 263 R N 1.317 121.694 120.500 -0.205 0.000 2.113 263 R HA -0.126 4.215 4.340 0.001 0.000 0.244 263 R C 0.986 177.203 176.300 -0.139 0.000 1.142 263 R CA 2.052 58.029 56.100 -0.205 0.000 0.953 263 R CB -0.298 29.798 30.300 -0.340 0.000 0.860 263 R HN 0.357 nan 8.270 nan 0.000 0.438 264 V N -0.669 119.164 119.914 -0.135 0.000 2.525 264 V HA 0.370 4.491 4.120 0.001 0.000 0.326 264 V C -0.142 175.911 176.094 -0.068 0.000 1.477 264 V CA -0.202 62.046 62.300 -0.088 0.000 1.579 264 V CB 0.043 31.820 31.823 -0.076 0.000 1.489 264 V HN 0.107 nan 8.190 nan 0.000 0.541 265 R N 2.117 122.580 120.500 -0.063 0.000 2.738 265 R HA 0.641 4.981 4.340 0.001 0.000 0.280 265 R C -0.069 176.208 176.300 -0.038 0.000 1.456 265 R CA 0.119 56.191 56.100 -0.046 0.000 1.612 265 R CB 1.707 31.980 30.300 -0.045 0.000 1.286 265 R HN 0.621 nan 8.270 nan 0.000 0.660 266 A N 1.067 123.866 122.820 -0.035 0.000 2.644 266 A HA 0.716 5.037 4.320 0.001 0.000 0.343 266 A C -0.064 177.507 177.584 -0.021 0.000 1.324 266 A CA -0.370 51.650 52.037 -0.029 0.000 0.846 266 A CB 0.566 19.548 19.000 -0.031 0.000 1.128 266 A HN 0.488 nan 8.150 nan 0.000 0.484 276 D N 1.007 121.423 120.400 0.027 0.000 2.823 276 D HA 0.247 4.887 4.640 0.001 0.000 0.255 276 D C -1.809 174.533 176.300 0.070 0.000 1.257 276 D CA -1.289 52.742 54.000 0.052 0.000 0.803 276 D CB 1.297 42.118 40.800 0.035 0.000 1.384 276 D HN -0.024 nan 8.370 nan 0.000 0.541 277 P HA -0.162 nan 4.420 nan 0.000 0.215 277 P C 1.726 179.080 177.300 0.090 0.000 1.153 277 P CA 0.665 63.792 63.100 0.044 0.000 0.853 277 P CB 0.119 31.819 31.700 0.001 0.000 0.788 278 F N 0.890 120.842 119.950 0.005 0.000 2.120 278 F HA -0.231 4.296 4.527 0.000 0.000 0.300 278 F C 2.458 178.268 175.800 0.016 0.000 1.095 278 F CA 1.318 59.323 58.000 0.008 0.000 1.249 278 F CB -0.278 38.724 39.000 0.004 0.000 0.995 278 F HN -0.070 nan 8.300 nan 0.000 0.480 279 A N -0.457 122.524 122.820 0.269 0.000 1.968 279 A HA -0.160 4.160 4.320 0.001 0.000 0.217 279 A C 2.062 179.733 177.584 0.146 0.000 1.169 279 A CA 1.450 53.591 52.037 0.173 0.000 0.638 279 A CB -0.425 18.630 19.000 0.091 0.000 0.812 279 A HN 0.373 nan 8.150 nan 0.000 0.446 280 K N -0.520 119.947 120.400 0.112 0.000 2.031 280 K HA -0.003 4.317 4.320 0.001 0.000 0.205 280 K C 1.890 178.542 176.600 0.086 0.000 1.049 280 K CA 1.173 57.508 56.287 0.079 0.000 0.939 280 K CB -0.341 32.189 32.500 0.049 0.000 0.717 280 K HN 0.242 nan 8.250 nan 0.000 0.438 281 V N 2.580 122.538 119.914 0.074 0.000 2.231 281 V HA -0.334 3.786 4.120 0.001 0.000 0.248 281 V C 2.416 178.563 176.094 0.089 0.000 1.054 281 V CA 2.369 64.698 62.300 0.048 0.000 1.015 281 V CB -0.697 31.112 31.823 -0.025 0.000 0.638 281 V HN 0.415 nan 8.190 nan 0.000 0.444 282 R N 0.160 120.746 120.500 0.143 0.000 2.152 282 R HA -0.067 4.274 4.340 0.001 0.000 0.232 282 R C 2.094 178.472 176.300 0.129 0.000 1.117 282 R CA 1.823 58.005 56.100 0.138 0.000 0.981 282 R CB -0.563 29.834 30.300 0.163 0.000 0.870 282 R HN 0.442 nan 8.270 nan 0.000 0.451 283 I N 1.207 121.867 120.570 0.150 0.000 2.406 283 I HA -0.108 4.062 4.170 0.001 0.000 0.249 283 I C 2.551 178.810 176.117 0.236 0.000 1.122 283 I CA 0.987 62.407 61.300 0.200 0.000 1.431 283 I CB -0.263 37.828 38.000 0.152 0.000 1.087 283 I HN 0.371 nan 8.210 nan 0.000 0.424 284 A N 0.474 123.383 122.820 0.148 0.000 1.933 284 A HA -0.215 4.105 4.320 0.001 0.000 0.218 284 A C 2.139 179.768 177.584 0.075 0.000 1.175 284 A CA 1.571 53.672 52.037 0.107 0.000 0.628 284 A CB -0.475 18.565 19.000 0.066 0.000 0.814 284 A HN 0.430 nan 8.150 nan 0.000 0.444 285 E N -0.279 119.963 120.200 0.070 0.000 2.046 285 E HA -0.049 4.301 4.350 0.001 0.000 0.190 285 E C 2.371 178.992 176.600 0.035 0.000 0.982 285 E CA 0.831 57.256 56.400 0.042 0.000 0.800 285 E CB -0.283 29.443 29.700 0.043 0.000 0.756 285 E HN 0.599 nan 8.360 nan 0.000 0.449 286 A N 1.734 124.597 122.820 0.073 0.000 1.877 286 A HA -0.139 4.182 4.320 0.001 0.000 0.216 286 A C 2.437 180.000 177.584 -0.035 0.000 1.186 286 A CA 1.760 53.832 52.037 0.058 0.000 0.620 286 A CB -0.752 18.336 19.000 0.147 0.000 0.822 286 A HN 0.288 nan 8.150 nan 0.000 0.443 287 A N -0.712 122.097 122.820 -0.017 0.000 1.908 287 A HA -0.163 4.157 4.320 0.001 0.000 0.218 287 A C 2.521 179.987 177.584 -0.198 0.000 1.181 287 A CA 2.420 54.282 52.037 -0.291 0.000 0.627 287 A CB -0.965 17.925 19.000 -0.183 0.000 0.818 287 A HN 0.652 nan 8.150 nan 0.000 0.445 288 S N -0.701 114.950 115.700 -0.083 0.000 2.406 288 S HA -0.134 4.337 4.470 0.001 0.000 0.228 288 S C 1.538 176.102 174.600 -0.061 0.000 1.020 288 S CA 1.475 59.641 58.200 -0.057 0.000 0.965 288 S CB -0.450 62.737 63.200 -0.023 0.000 0.798 288 S HN 0.533 nan 8.310 nan 0.000 0.488 289 D N 1.270 121.631 120.400 -0.065 0.000 2.149 289 D HA 0.070 4.710 4.640 0.001 0.000 0.201 289 D C 1.829 178.076 176.300 -0.089 0.000 0.972 289 D CA 0.840 54.805 54.000 -0.058 0.000 0.835 289 D CB -0.270 40.507 40.800 -0.038 0.000 0.966 289 D HN 0.460 nan 8.370 nan 0.000 0.476 290 I N 0.802 121.269 120.570 -0.171 0.000 2.252 290 I HA -0.196 3.975 4.170 0.001 0.000 0.245 290 I C 2.172 178.190 176.117 -0.166 0.000 1.102 290 I CA 1.023 62.155 61.300 -0.280 0.000 1.385 290 I CB -0.151 37.489 38.000 -0.599 0.000 1.064 290 I HN -0.021 nan 8.210 nan 0.000 0.414 291 D N 1.311 121.639 120.400 -0.119 0.000 2.178 291 D HA -0.176 4.464 4.640 0.001 0.000 0.201 291 D C 2.138 178.485 176.300 0.079 0.000 0.980 291 D CA 1.490 55.516 54.000 0.043 0.000 0.842 291 D CB 0.355 41.163 40.800 0.013 0.000 0.948 291 D HN 0.357 nan 8.370 nan 0.000 0.472 292 A N 0.947 123.775 122.820 0.014 0.000 1.929 292 A HA 0.106 4.426 4.320 0.001 0.000 0.216 292 A C 2.407 179.996 177.584 0.009 0.000 1.176 292 A CA 1.661 53.700 52.037 0.003 0.000 0.628 292 A CB -0.650 18.337 19.000 -0.022 0.000 0.816 292 A HN 0.303 nan 8.150 nan 0.000 0.444 293 A N -0.726 122.106 122.820 0.020 0.000 1.849 293 A HA -0.244 4.077 4.320 0.001 0.000 0.217 293 A C 2.173 179.813 177.584 0.094 0.000 1.202 293 A CA 1.535 53.592 52.037 0.033 0.000 0.629 293 A CB -1.251 17.771 19.000 0.036 0.000 0.834 293 A HN 0.826 nan 8.150 nan 0.000 0.447 294 W N 0.532 121.824 121.300 -0.013 0.000 2.317 294 W HA -0.245 4.415 4.660 0.000 0.000 0.318 294 W C 2.530 179.038 176.519 -0.019 0.000 1.227 294 W CA 2.058 59.414 57.345 0.019 0.000 1.269 294 W CB -0.308 29.231 29.460 0.132 0.000 1.155 294 W HN 0.362 nan 8.180 nan 0.000 0.484 295 R N -0.063 120.453 120.500 0.027 0.000 2.112 295 R HA -0.269 4.071 4.340 0.001 0.000 0.242 295 R C 2.439 178.621 176.300 -0.197 0.000 1.137 295 R CA 2.514 58.553 56.100 -0.102 0.000 0.944 295 R CB -0.880 29.409 30.300 -0.018 0.000 0.857 295 R HN 0.378 nan 8.270 nan 0.000 0.435 296 Q N 0.109 119.817 119.800 -0.153 0.000 2.020 296 Q HA -0.190 4.150 4.340 0.001 0.000 0.202 296 Q C 2.234 178.082 176.000 -0.253 0.000 0.982 296 Q CA 1.382 57.079 55.803 -0.176 0.000 0.838 296 Q CB -0.213 28.440 28.738 -0.141 0.000 0.899 296 Q HN 0.189 nan 8.270 nan 0.000 0.423 297 L N 0.448 121.492 121.223 -0.299 0.000 1.971 297 L HA -0.219 4.121 4.340 0.001 0.000 0.215 297 L C 2.155 178.715 176.870 -0.516 0.000 1.072 297 L CA 1.629 56.232 54.840 -0.394 0.000 0.758 297 L CB -0.498 41.330 42.059 -0.384 0.000 0.889 297 L HN 0.219 nan 8.230 nan 0.000 0.433 298 I N -0.406 119.715 120.570 -0.749 0.000 2.439 298 I HA -0.071 4.100 4.170 0.001 0.000 0.251 298 I C 2.223 178.109 176.117 -0.384 0.000 1.139 298 I CA 1.326 62.200 61.300 -0.708 0.000 1.438 298 I CB -0.829 36.508 38.000 -1.104 0.000 1.085 298 I HN 0.307 nan 8.210 nan 0.000 0.427 299 G N -0.046 108.558 108.800 -0.328 0.000 2.421 299 G HA2 -0.286 3.674 3.960 0.001 0.000 0.216 299 G HA3 -0.286 3.674 3.960 0.001 0.000 0.216 299 G C 1.497 176.301 174.900 -0.160 0.000 1.171 299 G CA 1.071 46.052 45.100 -0.199 0.000 0.775 299 G HN 0.479 nan 8.290 nan 0.000 0.543 300 N N -0.137 118.451 118.700 -0.187 0.000 2.188 300 N HA -0.061 4.679 4.740 0.001 0.000 0.184 300 N C 2.140 177.569 175.510 -0.134 0.000 1.018 300 N CA 0.769 53.724 53.050 -0.158 0.000 0.858 300 N CB -0.058 38.318 38.487 -0.186 0.000 0.989 300 N HN 0.146 nan 8.380 nan 0.000 0.426 301 V N 0.358 120.172 119.914 -0.167 0.000 2.332 301 V HA -0.236 3.885 4.120 0.001 0.000 0.248 301 V C 2.130 178.209 176.094 -0.025 0.000 1.055 301 V CA 1.664 63.901 62.300 -0.105 0.000 1.038 301 V CB -0.402 31.350 31.823 -0.118 0.000 0.651 301 V HN 0.302 nan 8.190 nan 0.000 0.450 302 S N -0.691 114.984 115.700 -0.042 0.000 2.387 302 S HA -0.158 4.312 4.470 0.001 0.000 0.226 302 S C 1.697 176.319 174.600 0.037 0.000 1.026 302 S CA 1.126 59.340 58.200 0.024 0.000 0.972 302 S CB -0.327 62.865 63.200 -0.012 0.000 0.814 302 S HN 0.611 nan 8.310 nan 0.000 0.477 303 D N 1.445 121.839 120.400 -0.011 0.000 2.144 303 D HA -0.088 4.553 4.640 0.001 0.000 0.199 303 D C 1.895 178.199 176.300 0.006 0.000 0.984 303 D CA 1.015 55.007 54.000 -0.013 0.000 0.834 303 D CB -0.174 40.602 40.800 -0.040 0.000 0.955 303 D HN 0.519 nan 8.370 nan 0.000 0.465 304 E N -0.868 119.344 120.200 0.020 0.000 2.112 304 E HA -0.138 4.213 4.350 0.001 0.000 0.190 304 E C 1.776 178.431 176.600 0.093 0.000 0.979 304 E CA 0.304 56.730 56.400 0.042 0.000 0.814 304 E CB -0.065 29.656 29.700 0.035 0.000 0.762 304 E HN 0.293 nan 8.360 nan 0.000 0.460 305 Y N 1.102 121.394 120.300 -0.012 0.000 2.314 305 Y HA -0.057 4.493 4.550 0.000 0.000 0.293 305 Y C 2.075 177.972 175.900 -0.005 0.000 1.129 305 Y CA 0.993 59.090 58.100 -0.005 0.000 1.201 305 Y CB -0.218 38.232 38.460 -0.016 0.000 0.999 305 Y HN -0.019 nan 8.280 nan 0.000 0.541 306 A N 0.198 122.995 122.820 -0.038 0.000 1.930 306 A HA -0.122 4.199 4.320 0.001 0.000 0.217 306 A C 2.305 179.819 177.584 -0.118 0.000 1.175 306 A CA 1.590 53.562 52.037 -0.108 0.000 0.627 306 A CB -0.998 17.986 19.000 -0.027 0.000 0.815 306 A HN 0.525 nan 8.150 nan 0.000 0.443 307 L N -0.724 120.460 121.223 -0.065 0.000 2.017 307 L HA -0.181 4.159 4.340 0.001 0.000 0.208 307 L C 2.581 179.415 176.870 -0.060 0.000 1.073 307 L CA 1.274 56.088 54.840 -0.044 0.000 0.745 307 L CB -0.535 41.519 42.059 -0.008 0.000 0.894 307 L HN 0.387 nan 8.230 nan 0.000 0.432 308 L N -0.566 120.613 121.223 -0.073 0.000 2.083 308 L HA -0.184 4.157 4.340 0.001 0.000 0.209 308 L C 2.809 179.589 176.870 -0.151 0.000 1.083 308 L CA 1.047 55.847 54.840 -0.067 0.000 0.752 308 L CB -0.676 41.371 42.059 -0.021 0.000 0.899 308 L HN 0.241 nan 8.230 nan 0.000 0.433 309 A N -0.022 122.619 122.820 -0.299 0.000 1.969 309 A HA -0.069 4.251 4.320 0.001 0.000 0.218 309 A C 2.296 179.786 177.584 -0.155 0.000 1.169 309 A CA 1.523 53.374 52.037 -0.311 0.000 0.635 309 A CB -0.505 18.220 19.000 -0.459 0.000 0.810 309 A HN 0.379 nan 8.150 nan 0.000 0.445 310 A N -1.891 120.860 122.820 -0.116 0.000 2.278 310 A HA 0.422 4.742 4.320 0.001 0.000 0.212 310 A C 1.831 179.389 177.584 -0.043 0.000 1.213 310 A CA 1.130 53.127 52.037 -0.067 0.000 0.840 310 A CB -0.963 18.006 19.000 -0.053 0.000 0.866 310 A HN 1.806 nan 8.150 nan 0.000 0.489 311 G N -0.298 108.477 108.800 -0.043 0.000 2.234 311 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 311 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 311 G C 0.513 175.413 174.900 -0.001 0.000 0.987 311 G CA 0.758 45.849 45.100 -0.015 0.000 0.625 311 G HN 0.614 nan 8.290 nan 0.000 0.532 312 K N 0.470 120.865 120.400 -0.008 0.000 2.143 312 K HA 0.449 4.769 4.320 0.001 0.000 0.239 312 K C 0.341 176.952 176.600 0.018 0.000 1.048 312 K CA 0.125 56.413 56.287 0.002 0.000 0.867 312 K CB 0.567 33.065 32.500 -0.005 0.000 1.088 312 K HN 0.380 nan 8.250 nan 0.000 0.510 313 E N 0.509 120.721 120.200 0.021 0.000 2.221 313 E HA 0.270 4.621 4.350 0.001 0.000 0.268 313 E C -0.964 175.658 176.600 0.036 0.000 0.933 313 E CA -0.621 55.798 56.400 0.032 0.000 0.809 313 E CB 1.090 30.801 29.700 0.018 0.000 1.190 313 E HN 0.324 nan 8.360 nan 0.000 0.406 314 I N 4.991 125.592 120.570 0.051 0.000 2.308 314 I HA 0.228 4.398 4.170 0.001 0.000 0.293 314 I C -1.978 174.173 176.117 0.056 0.000 1.078 314 I CA -1.905 59.424 61.300 0.049 0.000 1.292 314 I CB 0.503 38.542 38.000 0.065 0.000 1.423 314 I HN 0.327 nan 8.210 nan 0.000 0.493 315 P HA 0.035 nan 4.420 nan 0.000 0.271 315 P C 0.541 177.903 177.300 0.103 0.000 1.218 315 P CA -0.295 62.856 63.100 0.085 0.000 0.780 315 P CB 0.642 32.382 31.700 0.065 0.000 0.901 316 F N 2.694 122.654 119.950 0.016 0.000 2.120 316 F HA -0.251 4.276 4.527 0.000 0.000 0.300 316 F C 2.224 177.963 175.800 -0.101 0.000 1.095 316 F CA 2.152 60.152 58.000 0.001 0.000 1.249 316 F CB -0.350 38.690 39.000 0.066 0.000 0.995 316 F HN 0.472 nan 8.300 nan 0.000 0.480 317 E N 0.208 120.356 120.200 -0.087 0.000 2.147 317 E HA -0.295 4.055 4.350 0.001 0.000 0.199 317 E C 1.990 178.417 176.600 -0.287 0.000 1.005 317 E CA 2.000 58.171 56.400 -0.382 0.000 0.810 317 E CB -0.758 28.886 29.700 -0.093 0.000 0.736 317 E HN 0.422 nan 8.360 nan 0.000 0.460 318 L N 0.593 121.712 121.223 -0.173 0.000 2.109 318 L HA 0.069 4.409 4.340 0.001 0.000 0.207 318 L C 2.173 178.921 176.870 -0.204 0.000 1.086 318 L CA 1.645 56.397 54.840 -0.146 0.000 0.760 318 L CB -0.400 41.610 42.059 -0.082 0.000 0.910 318 L HN 0.048 nan 8.230 nan 0.000 0.437 319 R N -0.603 119.737 120.500 -0.268 0.000 2.092 319 R HA -0.034 4.306 4.340 0.001 0.000 0.231 319 R C 2.234 178.311 176.300 -0.372 0.000 1.119 319 R CA 1.170 57.092 56.100 -0.297 0.000 0.970 319 R CB -0.569 29.555 30.300 -0.293 0.000 0.864 319 R HN 0.469 nan 8.270 nan 0.000 0.440 320 A N 1.145 123.649 122.820 -0.526 0.000 1.930 320 A HA -0.113 4.207 4.320 0.001 0.000 0.217 320 A C 2.036 179.543 177.584 -0.129 0.000 1.175 320 A CA 0.971 52.790 52.037 -0.364 0.000 0.627 320 A CB -0.271 18.455 19.000 -0.457 0.000 0.815 320 A HN 0.164 nan 8.150 nan 0.000 0.443 321 R N -0.561 119.854 120.500 -0.142 0.000 2.096 321 R HA -0.082 4.258 4.340 0.001 0.000 0.235 321 R C 2.451 178.616 176.300 -0.225 0.000 1.127 321 R CA 1.114 57.100 56.100 -0.188 0.000 0.968 321 R CB -0.412 29.800 30.300 -0.146 0.000 0.861 321 R HN 0.525 nan 8.270 nan 0.000 0.440 322 A N 1.143 123.838 122.820 -0.207 0.000 1.902 322 A HA -0.141 4.180 4.320 0.001 0.000 0.217 322 A C 2.081 179.534 177.584 -0.219 0.000 1.181 322 A CA 1.028 52.936 52.037 -0.215 0.000 0.623 322 A CB -0.282 18.591 19.000 -0.210 0.000 0.818 322 A HN 0.092 nan 8.150 nan 0.000 0.443 323 R N 0.025 120.402 120.500 -0.204 0.000 2.096 323 R HA -0.148 4.193 4.340 0.001 0.000 0.235 323 R C 2.341 178.545 176.300 -0.161 0.000 1.127 323 R CA 1.846 57.833 56.100 -0.187 0.000 0.968 323 R CB -0.526 29.680 30.300 -0.158 0.000 0.861 323 R HN 0.802 nan 8.270 nan 0.000 0.440 324 R N 0.342 120.760 120.500 -0.137 0.000 2.093 324 R HA 0.005 4.345 4.340 0.001 0.000 0.224 324 R C 1.466 177.730 176.300 -0.060 0.000 1.101 324 R CA 1.562 57.636 56.100 -0.044 0.000 0.979 324 R CB -0.531 29.666 30.300 -0.171 0.000 0.877 324 R HN -0.031 nan 8.270 nan 0.000 0.441 325 D N 0.611 120.908 120.400 -0.173 0.000 2.144 325 D HA -0.181 4.459 4.640 0.001 0.000 0.199 325 D C 1.807 178.020 176.300 -0.145 0.000 0.984 325 D CA 1.211 55.115 54.000 -0.159 0.000 0.834 325 D CB -0.265 40.419 40.800 -0.193 0.000 0.955 325 D HN 0.384 nan 8.370 nan 0.000 0.465 326 Q N 1.182 120.873 119.800 -0.182 0.000 2.079 326 Q HA -0.120 4.221 4.340 0.001 0.000 0.200 326 Q C 2.216 178.110 176.000 -0.176 0.000 0.974 326 Q CA 1.631 57.310 55.803 -0.207 0.000 0.840 326 Q CB -0.049 28.530 28.738 -0.265 0.000 0.898 326 Q HN 0.313 nan 8.270 nan 0.000 0.430 327 V N -1.133 118.674 119.914 -0.179 0.000 2.667 327 V HA -0.064 4.057 4.120 0.001 0.000 0.252 327 V C 2.516 178.549 176.094 -0.102 0.000 1.065 327 V CA 1.408 63.596 62.300 -0.188 0.000 1.083 327 V CB -0.742 30.885 31.823 -0.327 0.000 0.692 327 V HN 0.136 nan 8.190 nan 0.000 0.468 328 R N 0.977 121.460 120.500 -0.028 0.000 2.092 328 R HA 0.076 4.416 4.340 0.001 0.000 0.231 328 R C 2.405 178.694 176.300 -0.019 0.000 1.119 328 R CA 1.687 57.809 56.100 0.036 0.000 0.970 328 R CB -0.928 29.401 30.300 0.048 0.000 0.864 328 R HN 0.615 nan 8.270 nan 0.000 0.440 329 A N -0.200 122.588 122.820 -0.054 0.000 1.877 329 A HA -0.150 4.170 4.320 0.001 0.000 0.216 329 A C 2.270 179.835 177.584 -0.033 0.000 1.186 329 A CA 2.134 54.145 52.037 -0.045 0.000 0.620 329 A CB -0.905 18.058 19.000 -0.062 0.000 0.822 329 A HN 0.342 nan 8.150 nan 0.000 0.443 330 T N -0.229 114.296 114.554 -0.049 0.000 2.684 330 T HA -0.076 4.274 4.350 0.001 0.000 0.267 330 T C 1.986 176.664 174.700 -0.037 0.000 1.036 330 T CA 1.688 63.763 62.100 -0.041 0.000 1.148 330 T CB -0.786 68.049 68.868 -0.055 0.000 0.863 330 T HN 0.621 nan 8.240 nan 0.000 0.436 331 G N 2.289 111.072 108.800 -0.028 0.000 2.491 331 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 331 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 331 G C 1.568 176.464 174.900 -0.006 0.000 1.180 331 G CA 1.153 46.248 45.100 -0.009 0.000 0.774 331 G HN 0.637 nan 8.290 nan 0.000 0.562 332 R N 0.195 120.690 120.500 -0.008 0.000 2.193 332 R HA 0.202 4.542 4.340 0.001 0.000 0.213 332 R C 2.488 178.773 176.300 -0.024 0.000 1.055 332 R CA 1.270 57.364 56.100 -0.011 0.000 0.995 332 R CB -0.362 29.928 30.300 -0.016 0.000 0.893 332 R HN 0.256 nan 8.270 nan 0.000 0.459 333 S N 1.614 117.295 115.700 -0.032 0.000 2.355 333 S HA 0.003 4.473 4.470 0.001 0.000 0.222 333 S C 1.992 176.573 174.600 -0.032 0.000 1.031 333 S CA 0.952 59.125 58.200 -0.045 0.000 0.993 333 S CB -0.161 63.020 63.200 -0.033 0.000 0.859 333 S HN 0.198 nan 8.310 nan 0.000 0.453 334 I N 1.792 122.334 120.570 -0.046 0.000 2.179 334 I HA -0.214 3.956 4.170 0.001 0.000 0.242 334 I C 2.774 178.901 176.117 0.017 0.000 1.088 334 I CA 1.140 62.392 61.300 -0.080 0.000 1.357 334 I CB -0.596 37.292 38.000 -0.186 0.000 1.051 334 I HN 0.272 nan 8.210 nan 0.000 0.409 335 A N 0.210 123.050 122.820 0.033 0.000 1.908 335 A HA -0.218 4.102 4.320 0.001 0.000 0.218 335 A C 2.483 180.115 177.584 0.081 0.000 1.181 335 A CA 2.327 54.409 52.037 0.075 0.000 0.627 335 A CB -0.718 18.315 19.000 0.054 0.000 0.818 335 A HN 0.411 nan 8.150 nan 0.000 0.445 336 S N -0.168 115.560 115.700 0.046 0.000 2.356 336 S HA -0.110 4.361 4.470 0.001 0.000 0.223 336 S C 1.804 176.450 174.600 0.078 0.000 1.032 336 S CA 1.481 59.707 58.200 0.044 0.000 1.005 336 S CB -0.513 62.687 63.200 -0.000 0.000 0.867 336 S HN 0.556 nan 8.310 nan 0.000 0.449 337 I N 1.861 122.490 120.570 0.099 0.000 2.264 337 I HA -0.220 3.950 4.170 0.001 0.000 0.248 337 I C 1.939 178.222 176.117 0.275 0.000 1.111 337 I CA 1.164 62.569 61.300 0.176 0.000 1.382 337 I CB -0.532 37.588 38.000 0.199 0.000 1.060 337 I HN 0.157 nan 8.210 nan 0.000 0.418 338 D N 0.738 121.330 120.400 0.321 0.000 2.149 338 D HA -0.146 4.494 4.640 0.001 0.000 0.198 338 D C 2.358 178.770 176.300 0.187 0.000 0.990 338 D CA 1.162 55.386 54.000 0.373 0.000 0.839 338 D CB -0.185 40.847 40.800 0.385 0.000 0.948 338 D HN 0.296 nan 8.370 nan 0.000 0.460 339 R N -0.194 120.372 120.500 0.111 0.000 2.093 339 R HA 0.089 4.429 4.340 0.001 0.000 0.224 339 R C 2.387 178.644 176.300 -0.072 0.000 1.101 339 R CA 0.393 56.510 56.100 0.028 0.000 0.979 339 R CB -0.167 30.156 30.300 0.039 0.000 0.877 339 R HN 0.232 nan 8.270 nan 0.000 0.441 340 L N -0.395 120.780 121.223 -0.080 0.000 2.217 340 L HA -0.116 4.224 4.340 0.001 0.000 0.211 340 L C 2.173 178.933 176.870 -0.183 0.000 1.107 340 L CA 0.719 55.389 54.840 -0.282 0.000 0.783 340 L CB -0.335 41.634 42.059 -0.150 0.000 0.919 340 L HN 0.096 nan 8.230 nan 0.000 0.442 341 F N 1.142 120.972 119.950 -0.199 0.000 2.098 341 F HA -0.180 4.347 4.527 0.000 0.000 0.294 341 F C 2.534 178.161 175.800 -0.289 0.000 1.107 341 F CA 1.769 59.600 58.000 -0.281 0.000 1.234 341 F CB -0.254 38.416 39.000 -0.550 0.000 1.002 341 F HN 0.066 nan 8.300 nan 0.000 0.472 342 E N 0.081 120.087 120.200 -0.323 0.000 2.085 342 E HA -0.225 4.125 4.350 0.001 0.000 0.194 342 E C 2.171 178.581 176.600 -0.318 0.000 0.994 342 E CA 1.185 57.358 56.400 -0.378 0.000 0.801 342 E CB -0.327 29.267 29.700 -0.177 0.000 0.743 342 E HN 0.443 nan 8.360 nan 0.000 0.453 343 A N 0.081 122.758 122.820 -0.238 0.000 2.014 343 A HA -0.064 4.256 4.320 0.001 0.000 0.218 343 A C 2.244 179.821 177.584 -0.012 0.000 1.163 343 A CA 1.276 53.230 52.037 -0.138 0.000 0.652 343 A CB -0.225 18.683 19.000 -0.154 0.000 0.808 343 A HN 0.215 nan 8.150 nan 0.000 0.449 344 S N -1.036 114.624 115.700 -0.066 0.000 2.515 344 S HA 0.304 4.774 4.470 0.001 0.000 0.231 344 S C 1.457 175.994 174.600 -0.106 0.000 0.987 344 S CA 0.838 59.063 58.200 0.042 0.000 0.936 344 S CB -0.599 62.592 63.200 -0.015 0.000 0.766 344 S HN 1.427 nan 8.310 nan 0.000 0.528 345 G N 1.286 109.950 108.800 -0.226 0.000 2.564 345 G HA2 -0.267 3.693 3.960 0.001 0.000 0.273 345 G HA3 -0.267 3.693 3.960 0.001 0.000 0.273 345 G C 0.936 175.697 174.900 -0.232 0.000 1.242 345 G CA 0.082 45.056 45.100 -0.210 0.000 0.951 345 G HN 0.698 nan 8.290 nan 0.000 0.564 346 A N -1.390 121.342 122.820 -0.146 0.000 1.933 346 A HA 0.103 4.423 4.320 0.001 0.000 0.218 346 A C 2.627 180.139 177.584 -0.120 0.000 1.175 346 A CA 3.627 55.590 52.037 -0.125 0.000 0.628 346 A CB -1.140 17.814 19.000 -0.076 0.000 0.814 346 A HN 2.212 nan 8.150 nan 0.000 0.444 347 T N -2.867 111.612 114.554 -0.125 0.000 3.160 347 T HA 0.364 4.714 4.350 0.001 0.000 0.257 347 T C 1.386 176.004 174.700 -0.137 0.000 1.147 347 T CA 0.923 62.949 62.100 -0.124 0.000 1.064 347 T CB -0.031 68.750 68.868 -0.145 0.000 0.949 347 T HN 0.497 nan 8.240 nan 0.000 0.526 348 A N 0.741 123.464 122.820 -0.161 0.000 2.238 348 A HA 0.493 4.814 4.320 0.001 0.000 0.210 348 A C 2.062 179.663 177.584 0.028 0.000 1.179 348 A CA -0.055 51.935 52.037 -0.078 0.000 0.827 348 A CB -0.432 18.464 19.000 -0.173 0.000 0.856 348 A HN 0.533 nan 8.150 nan 0.000 0.488 349 L N 0.548 121.751 121.223 -0.035 0.000 2.418 349 L HA 0.023 4.363 4.340 0.001 0.000 0.218 349 L C 1.375 178.267 176.870 0.037 0.000 1.125 349 L CA 0.520 55.371 54.840 0.018 0.000 0.835 349 L CB -0.279 41.760 42.059 -0.033 0.000 0.953 349 L HN 0.534 nan 8.230 nan 0.000 0.454 350 S N -0.707 115.002 115.700 0.014 0.000 2.564 350 S HA 0.066 4.536 4.470 0.001 0.000 0.278 350 S C 0.993 175.608 174.600 0.026 0.000 1.333 350 S CA -0.634 57.574 58.200 0.013 0.000 1.048 350 S CB 0.873 64.072 63.200 -0.002 0.000 0.900 350 S HN 0.152 nan 8.310 nan 0.000 0.505 351 N N 2.035 120.748 118.700 0.021 0.000 2.430 351 N HA -0.136 4.604 4.740 0.001 0.000 0.186 351 N C 1.596 177.112 175.510 0.010 0.000 1.032 351 N CA 1.555 54.618 53.050 0.021 0.000 0.893 351 N CB -0.277 38.218 38.487 0.014 0.000 0.957 351 N HN 0.950 nan 8.380 nan 0.000 0.442 352 E N -0.140 120.062 120.200 0.004 0.000 2.251 352 E HA 0.188 4.538 4.350 0.001 0.000 0.194 352 E C 0.473 177.066 176.600 -0.013 0.000 0.964 352 E CA -0.084 56.311 56.400 -0.007 0.000 0.868 352 E CB -0.116 29.580 29.700 -0.006 0.000 0.828 352 E HN 0.066 nan 8.360 nan 0.000 0.481 353 A N 3.367 126.187 122.820 -0.000 0.000 2.572 353 A HA -0.000 4.320 4.320 0.001 0.000 0.256 353 A C -1.642 175.941 177.584 -0.001 0.000 1.041 353 A CA -0.699 51.340 52.037 0.004 0.000 0.790 353 A CB 0.003 19.016 19.000 0.021 0.000 0.947 353 A HN 0.097 nan 8.150 nan 0.000 0.518 354 P HA -0.145 nan 4.420 nan 0.000 0.216 354 P C 1.586 178.861 177.300 -0.041 0.000 1.153 354 P CA 0.858 63.902 63.100 -0.094 0.000 0.848 354 P CB 0.032 31.717 31.700 -0.025 0.000 0.787 355 I N 0.273 120.941 120.570 0.164 0.000 2.194 355 I HA -0.365 3.806 4.170 0.001 0.000 0.246 355 I C 2.113 178.398 176.117 0.279 0.000 1.093 355 I CA 1.929 63.427 61.300 0.329 0.000 1.355 355 I CB -0.312 37.869 38.000 0.302 0.000 1.046 355 I HN -0.071 nan 8.210 nan 0.000 0.413 356 Q N 0.320 120.243 119.800 0.204 0.000 2.224 356 Q HA -0.217 4.123 4.340 0.001 0.000 0.203 356 Q C 2.193 178.257 176.000 0.107 0.000 0.970 356 Q CA 1.434 57.312 55.803 0.124 0.000 0.865 356 Q CB -0.646 28.224 28.738 0.219 0.000 0.922 356 Q HN 0.458 nan 8.270 nan 0.000 0.445 357 R N -0.439 120.064 120.500 0.005 0.000 2.066 357 R HA -0.067 4.273 4.340 0.001 0.000 0.232 357 R C 1.538 177.812 176.300 -0.043 0.000 1.131 357 R CA 1.374 57.420 56.100 -0.090 0.000 0.955 357 R CB -0.226 29.929 30.300 -0.242 0.000 0.851 357 R HN 0.305 nan 8.270 nan 0.000 0.432 358 F N -0.494 119.511 119.950 0.092 0.000 2.120 358 F HA -0.243 4.285 4.527 0.000 0.000 0.300 358 F C 2.148 178.010 175.800 0.105 0.000 1.095 358 F CA 1.374 59.429 58.000 0.093 0.000 1.249 358 F CB -1.003 38.065 39.000 0.114 0.000 0.995 358 F HN 0.262 nan 8.300 nan 0.000 0.480 359 W N 1.367 122.713 121.300 0.076 0.000 2.355 359 W HA -0.136 4.524 4.660 0.000 0.000 0.309 359 W C 2.518 179.048 176.519 0.019 0.000 1.206 359 W CA 1.721 59.041 57.345 -0.042 0.000 1.284 359 W CB -0.408 28.788 29.460 -0.440 0.000 1.145 359 W HN -0.174 nan 8.180 nan 0.000 0.502 360 R N 0.028 120.474 120.500 -0.090 0.000 2.081 360 R HA -0.150 4.190 4.340 0.001 0.000 0.235 360 R C 1.768 177.967 176.300 -0.167 0.000 1.131 360 R CA 1.753 57.687 56.100 -0.277 0.000 0.960 360 R CB -0.703 29.506 30.300 -0.152 0.000 0.856 360 R HN 0.164 nan 8.270 nan 0.000 0.436 361 D N 0.686 121.047 120.400 -0.065 0.000 2.097 361 D HA -0.113 4.527 4.640 0.001 0.000 0.195 361 D C 1.857 178.111 176.300 -0.077 0.000 0.989 361 D CA 1.516 55.482 54.000 -0.056 0.000 0.827 361 D CB -0.362 40.455 40.800 0.028 0.000 0.966 361 D HN 0.204 nan 8.370 nan 0.000 0.456 362 A N 1.056 123.851 122.820 -0.041 0.000 1.908 362 A HA -0.234 4.086 4.320 0.001 0.000 0.218 362 A C 1.964 179.418 177.584 -0.216 0.000 1.181 362 A CA 1.482 53.459 52.037 -0.101 0.000 0.627 362 A CB -0.893 18.039 19.000 -0.112 0.000 0.818 362 A HN 0.347 nan 8.150 nan 0.000 0.445 363 H N -0.709 118.229 119.070 -0.221 0.000 2.423 363 H HA -0.001 4.555 4.556 0.000 0.000 0.297 363 H C 2.537 177.773 175.328 -0.154 0.000 1.075 363 H CA 1.291 57.195 56.048 -0.240 0.000 1.342 363 H CB -0.254 29.239 29.762 -0.447 0.000 1.395 363 H HN 0.560 nan 8.280 nan 0.000 0.530 364 A N 0.799 123.586 122.820 -0.054 0.000 1.873 364 A HA -0.074 4.247 4.320 0.001 0.000 0.215 364 A C 2.834 180.435 177.584 0.028 0.000 1.186 364 A CA 1.459 53.493 52.037 -0.004 0.000 0.616 364 A CB -1.151 17.813 19.000 -0.061 0.000 0.823 364 A HN 0.440 nan 8.150 nan 0.000 0.442 365 G N -0.312 108.398 108.800 -0.151 0.000 2.450 365 G HA2 -0.308 3.653 3.960 0.001 0.000 0.220 365 G HA3 -0.308 3.653 3.960 0.001 0.000 0.220 365 G C 1.644 176.607 174.900 0.105 0.000 1.130 365 G CA 1.386 46.368 45.100 -0.196 0.000 0.760 365 G HN 0.528 nan 8.290 nan 0.000 0.557 366 R N 0.922 121.441 120.500 0.031 0.000 2.127 366 R HA -0.098 4.242 4.340 0.001 0.000 0.238 366 R C 2.572 178.901 176.300 0.048 0.000 1.134 366 R CA 1.897 58.012 56.100 0.025 0.000 0.975 366 R CB -0.920 29.358 30.300 -0.037 0.000 0.865 366 R HN 0.494 nan 8.270 nan 0.000 0.447 367 V N -1.101 118.845 119.914 0.053 0.000 2.970 367 V HA -0.005 4.116 4.120 0.001 0.000 0.260 367 V C 1.255 177.314 176.094 -0.058 0.000 1.100 367 V CA 0.633 62.938 62.300 0.008 0.000 1.122 367 V CB -1.003 30.839 31.823 0.032 0.000 0.721 367 V HN 0.340 nan 8.190 nan 0.000 0.483 368 H N 0.817 119.818 119.070 -0.115 0.000 3.038 368 H HA 0.189 4.745 4.556 0.000 0.000 0.338 368 H C 1.413 176.683 175.328 -0.096 0.000 1.041 368 H CA 0.768 56.734 56.048 -0.136 0.000 1.394 368 H CB 1.679 31.493 29.762 0.087 0.000 1.357 368 H HN 0.364 nan 8.280 nan 0.000 0.600 369 A N 4.886 127.639 122.820 -0.111 0.000 2.015 369 A HA -0.039 4.281 4.320 0.001 0.000 0.219 369 A C 2.404 180.040 177.584 0.087 0.000 1.163 369 A CA 1.188 53.214 52.037 -0.018 0.000 0.646 369 A CB -0.630 18.323 19.000 -0.078 0.000 0.806 369 A HN 0.792 nan 8.150 nan 0.000 0.448 370 A N 0.067 123.059 122.820 0.286 0.000 2.125 370 A HA -0.155 4.166 4.320 0.001 0.000 0.219 370 A C 1.625 179.147 177.584 -0.102 0.000 1.156 370 A CA 1.557 53.581 52.037 -0.022 0.000 0.671 370 A CB -0.699 18.119 19.000 -0.303 0.000 0.794 370 A HN 0.702 nan 8.150 nan 0.000 0.459 371 N N -0.397 118.286 118.700 -0.029 0.000 2.353 371 N HA 0.028 4.769 4.740 0.001 0.000 0.185 371 N C -0.092 175.357 175.510 -0.102 0.000 1.098 371 N CA 0.100 53.105 53.050 -0.075 0.000 0.872 371 N CB 0.095 38.571 38.487 -0.018 0.000 0.970 371 N HN 0.440 nan 8.380 nan 0.000 0.467 372 D N 1.293 121.640 120.400 -0.088 0.000 2.426 372 D HA -0.010 4.630 4.640 0.001 0.000 0.261 372 D C -1.632 174.547 176.300 -0.201 0.000 1.245 372 D CA -1.490 52.446 54.000 -0.106 0.000 0.917 372 D CB 0.994 41.749 40.800 -0.074 0.000 1.123 372 D HN 0.058 nan 8.370 nan 0.000 0.508 373 P HA -0.140 nan 4.420 nan 0.000 0.215 373 P C 1.183 178.133 177.300 -0.583 0.000 1.157 373 P CA 0.729 63.509 63.100 -0.534 0.000 0.863 373 P CB 0.121 31.620 31.700 -0.335 0.000 0.787 374 E N 0.005 120.072 120.200 -0.221 0.000 2.058 374 E HA -0.271 4.079 4.350 0.001 0.000 0.194 374 E C 2.280 178.848 176.600 -0.055 0.000 0.997 374 E CA 1.138 57.503 56.400 -0.058 0.000 0.801 374 E CB -0.196 29.513 29.700 0.014 0.000 0.746 374 E HN -0.037 nan 8.360 nan 0.000 0.450 375 R N -0.005 120.445 120.500 -0.083 0.000 2.094 375 R HA -0.197 4.144 4.340 0.001 0.000 0.239 375 R C 2.291 178.560 176.300 -0.052 0.000 1.137 375 R CA 1.842 57.913 56.100 -0.049 0.000 0.943 375 R CB -0.358 29.907 30.300 -0.059 0.000 0.850 375 R HN 0.208 nan 8.270 nan 0.000 0.433 376 A N -0.440 122.290 122.820 -0.150 0.000 1.930 376 A HA -0.145 4.175 4.320 0.001 0.000 0.217 376 A C 1.885 179.491 177.584 0.036 0.000 1.175 376 A CA 1.138 53.100 52.037 -0.125 0.000 0.627 376 A CB -0.660 18.192 19.000 -0.246 0.000 0.815 376 A HN 0.447 nan 8.150 nan 0.000 0.443 377 Y N -0.283 120.033 120.300 0.026 0.000 2.242 377 Y HA -0.094 4.456 4.550 0.000 0.000 0.291 377 Y C 2.599 178.567 175.900 0.114 0.000 1.137 377 Y CA 0.439 58.582 58.100 0.071 0.000 1.181 377 Y CB -1.121 37.367 38.460 0.046 0.000 0.989 377 Y HN 0.094 nan 8.280 nan 0.000 0.527 378 V N 0.172 120.222 119.914 0.227 0.000 2.343 378 V HA -0.288 3.833 4.120 0.001 0.000 0.247 378 V C 2.275 178.465 176.094 0.160 0.000 1.051 378 V CA 1.701 64.104 62.300 0.171 0.000 1.036 378 V CB -0.709 31.188 31.823 0.123 0.000 0.654 378 V HN 0.313 nan 8.190 nan 0.000 0.451 379 I N -0.685 119.976 120.570 0.151 0.000 2.163 379 I HA -0.299 3.872 4.170 0.001 0.000 0.243 379 I C 2.306 178.535 176.117 0.187 0.000 1.085 379 I CA 2.173 63.570 61.300 0.162 0.000 1.347 379 I CB -0.475 37.597 38.000 0.121 0.000 1.044 379 I HN 0.345 nan 8.210 nan 0.000 0.408 380 F N 1.602 121.581 119.950 0.049 0.000 2.186 380 F HA -0.051 4.476 4.527 0.000 0.000 0.299 380 F C 2.304 178.113 175.800 0.015 0.000 1.090 380 F CA 1.481 59.487 58.000 0.010 0.000 1.307 380 F CB -0.569 38.418 39.000 -0.023 0.000 1.019 380 F HN -0.027 nan 8.300 nan 0.000 0.489 381 G N 0.538 109.342 108.800 0.007 0.000 2.421 381 G HA2 -0.311 3.649 3.960 0.001 0.000 0.216 381 G HA3 -0.311 3.649 3.960 0.001 0.000 0.216 381 G C 1.515 176.315 174.900 -0.167 0.000 1.171 381 G CA 0.976 45.967 45.100 -0.182 0.000 0.775 381 G HN 0.329 nan 8.290 nan 0.000 0.543 382 N N 0.298 119.021 118.700 0.039 0.000 2.043 382 N HA -0.147 4.593 4.740 0.001 0.000 0.193 382 N C 1.948 177.486 175.510 0.046 0.000 1.037 382 N CA 1.340 54.452 53.050 0.103 0.000 0.851 382 N CB -0.777 37.788 38.487 0.130 0.000 1.027 382 N HN 0.458 nan 8.380 nan 0.000 0.422 383 H N 1.487 120.519 119.070 -0.064 0.000 2.352 383 H HA -0.053 4.503 4.556 0.000 0.000 0.299 383 H C 1.172 176.375 175.328 -0.207 0.000 1.097 383 H CA 1.265 57.276 56.048 -0.061 0.000 1.311 383 H CB 0.320 30.097 29.762 0.025 0.000 1.377 383 H HN 0.205 nan 8.280 nan 0.000 0.504 384 E N 0.105 120.108 120.200 -0.329 0.000 2.150 384 E HA -0.119 4.232 4.350 0.001 0.000 0.193 384 E C 1.980 178.427 176.600 -0.256 0.000 0.985 384 E CA 0.503 56.659 56.400 -0.407 0.000 0.814 384 E CB -0.401 28.877 29.700 -0.703 0.000 0.752 384 E HN 0.555 nan 8.360 nan 0.000 0.466 385 F N 0.083 119.950 119.950 -0.138 0.000 2.797 385 F HA 0.148 4.675 4.527 0.001 0.000 0.302 385 F C 1.331 177.072 175.800 -0.098 0.000 1.130 385 F CA 0.076 58.020 58.000 -0.093 0.000 1.387 385 F CB 0.526 39.490 39.000 -0.059 0.000 1.107 385 F HN 0.079 nan 8.300 nan 0.000 0.577 386 G N 1.306 110.114 108.800 0.014 0.000 2.160 386 G HA2 -0.263 3.698 3.960 0.001 0.000 0.244 386 G HA3 -0.263 3.698 3.960 0.001 0.000 0.244 386 G C -0.417 174.467 174.900 -0.027 0.000 1.022 386 G CA -0.415 44.656 45.100 -0.048 0.000 0.741 386 G HN 0.106 nan 8.290 nan 0.000 0.508 387 L N 1.089 122.311 121.223 -0.001 0.000 2.344 387 L HA 0.660 5.001 4.340 0.001 0.000 0.272 387 L C -1.350 175.510 176.870 -0.018 0.000 1.035 387 L CA -2.603 52.242 54.840 0.010 0.000 0.807 387 L CB 0.887 42.982 42.059 0.060 0.000 1.237 387 L HN 0.009 nan 8.230 nan 0.000 0.442 388 P HA 0.205 nan 4.420 nan 0.000 0.268 388 P C -2.582 174.697 177.300 -0.036 0.000 1.205 388 P CA -0.939 62.128 63.100 -0.055 0.000 0.771 388 P CB -0.333 31.342 31.700 -0.041 0.000 0.858 389 P HA 0.215 nan 4.420 nan 0.000 0.272 389 P C 0.612 177.915 177.300 0.006 0.000 1.223 389 P CA 0.080 63.156 63.100 -0.041 0.000 0.784 389 P CB 0.549 32.095 31.700 -0.256 0.000 0.923 390 G N 0.093 108.929 108.800 0.061 0.000 2.543 390 G HA2 0.073 4.033 3.960 0.001 0.000 0.202 390 G HA3 0.073 4.033 3.960 0.001 0.000 0.202 390 G C -0.280 174.654 174.900 0.057 0.000 1.897 390 G CA -0.107 45.022 45.100 0.047 0.000 0.726 390 G HN 0.502 nan 8.290 nan 0.000 0.804 391 D N 1.572 122.006 120.400 0.057 0.000 4.262 391 D HA -0.088 4.552 4.640 0.001 0.000 0.186 391 D C 1.765 178.097 176.300 0.054 0.000 1.090 391 D CA 0.984 55.010 54.000 0.044 0.000 0.711 391 D CB 0.628 41.457 40.800 0.048 0.000 1.194 391 D HN 0.346 nan 8.370 nan 0.000 0.627 392 T N 0.773 115.339 114.554 0.020 0.000 3.148 392 T HA -0.032 4.318 4.350 0.001 0.000 0.253 392 T C 1.385 176.092 174.700 0.012 0.000 1.134 392 T CA -0.364 61.752 62.100 0.027 0.000 1.051 392 T CB 0.124 68.993 68.868 0.002 0.000 0.959 392 T HN 0.188 nan 8.240 nan 0.000 0.525 393 M N 2.775 122.367 119.600 -0.014 0.000 3.759 393 M HA 0.487 4.967 4.480 0.001 0.000 0.190 393 M C -0.402 175.864 176.300 -0.056 0.000 1.478 393 M CA -1.456 53.814 55.300 -0.050 0.000 1.691 393 M CB -1.801 30.762 32.600 -0.062 0.000 1.113 393 M HN 0.258 nan 8.290 nan 0.000 0.542 394 V N 0.000 119.905 119.914 -0.016 0.000 2.409 394 V HA 0.000 4.120 4.120 0.001 0.000 0.244 394 V CA 0.000 62.278 62.300 -0.037 0.000 1.235 394 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 394 V HN 0.000 nan 8.190 nan 0.000 0.556