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 3d0i_1_A DATA FIRST_RESID 19 DATA SEQUENCE STTEELAKTF LETFNYEAQE LSYQSSVASW NYNTNITEEN VQNMNNAGDK DATA SEQUENCE WSAFLKEQST LAQMYPLQEI QNLTVKLQLQ ALQQNGSSVL SEDKSKRLNT DATA SEQUENCE ILNTMSTIYS TGKVcNPDNP QEcLLLEPGL NEIMANSLDY NERLWAWESW DATA SEQUENCE RSEVGKQLRP LYEEYVVLKN EMARANHYED YGDYWRGDYE VNGVDGYDYS DATA SEQUENCE RGQLIEDVEH TFEEIKPLYE HLHAYVRAKL MNAYPSYISP IGCLPAHLLG DATA SEQUENCE DMWGRFWTNL YSLTVPFGQK PNIDVTDAMV DQAWDAQRIF KEAEKFFVSV DATA SEQUENCE GLPNMTQGFW ENSMLTDPGN VQKAVcHPTA WDLGKGDFRI LMcTKVTMDD DATA SEQUENCE FLTAHHEMGH IQYDMAYAAQ PFLLRNGANE GFHEAVGEIM SLSAATPKHL DATA SEQUENCE KSIGLLSPDF QEDNETEINF LLKQALTIVG TLPFTYMLEK WRWMVFKGEI DATA SEQUENCE PKDQWMKKWW EMKREIVGVV EPVPHDETYC DPASLFHVSN DYSFIRYYTR DATA SEQUENCE TLYQFQFQEA LcQAAKHEGP LHKcDISNST EAGQKLFNML RLGKSEPWTL DATA SEQUENCE ALENVVGAKN MNVRPLLNYF EPLFTWLKDQ NKNSFVGWST DWSPYAD 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.622 174.600 0.037 0.000 1.055 19 S CA 0.000 58.222 58.200 0.037 0.000 1.107 19 S CB 0.000 63.216 63.200 0.026 0.000 0.593 20 T N 0.789 115.365 114.554 0.038 0.000 2.667 20 T HA 0.207 4.557 4.350 0.001 0.000 0.305 20 T C 1.384 176.118 174.700 0.056 0.000 1.022 20 T CA 0.825 62.947 62.100 0.036 0.000 0.995 20 T CB 0.223 69.110 68.868 0.032 0.000 1.026 20 T HN 0.023 nan 8.240 nan 0.000 0.527 21 T N -0.170 114.415 114.554 0.052 0.000 2.962 21 T HA -0.022 4.329 4.350 0.001 0.000 0.270 21 T C 1.768 176.552 174.700 0.141 0.000 1.088 21 T CA 1.416 63.569 62.100 0.089 0.000 1.127 21 T CB -0.360 68.537 68.868 0.049 0.000 0.883 21 T HN 0.820 nan 8.240 nan 0.000 0.493 22 E N 0.924 121.178 120.200 0.089 0.000 2.047 22 E HA -0.157 4.193 4.350 0.001 0.000 0.191 22 E C 2.097 178.744 176.600 0.078 0.000 0.987 22 E CA 0.956 57.402 56.400 0.076 0.000 0.799 22 E CB 0.107 29.836 29.700 0.049 0.000 0.752 22 E HN 0.228 nan 8.360 nan 0.000 0.449 23 E N 0.500 120.747 120.200 0.078 0.000 2.106 23 E HA -0.137 4.214 4.350 0.001 0.000 0.192 23 E C 2.250 178.913 176.600 0.105 0.000 0.984 23 E CA 0.747 57.193 56.400 0.076 0.000 0.806 23 E CB -0.190 29.549 29.700 0.064 0.000 0.750 23 E HN 0.414 nan 8.360 nan 0.000 0.458 24 L N 0.209 121.525 121.223 0.155 0.000 2.201 24 L HA -0.062 4.279 4.340 0.001 0.000 0.212 24 L C 2.416 179.415 176.870 0.214 0.000 1.105 24 L CA 0.973 55.957 54.840 0.240 0.000 0.775 24 L CB -0.528 41.725 42.059 0.323 0.000 0.913 24 L HN 0.026 nan 8.230 nan 0.000 0.440 25 A N 0.316 123.189 122.820 0.087 0.000 1.872 25 A HA -0.148 4.173 4.320 0.001 0.000 0.214 25 A C 2.372 179.921 177.584 -0.057 0.000 1.187 25 A CA 1.226 53.103 52.037 -0.267 0.000 0.614 25 A CB -0.239 18.685 19.000 -0.126 0.000 0.826 25 A HN 0.247 nan 8.150 nan 0.000 0.442 26 K N -0.676 119.738 120.400 0.023 0.000 2.032 26 K HA -0.116 4.204 4.320 0.001 0.000 0.209 26 K C 1.990 178.630 176.600 0.068 0.000 1.048 26 K CA 1.883 58.196 56.287 0.044 0.000 0.927 26 K CB -0.449 32.080 32.500 0.049 0.000 0.712 26 K HN 0.453 nan 8.250 nan 0.000 0.441 27 T N 0.887 115.495 114.554 0.090 0.000 2.962 27 T HA -0.127 4.223 4.350 0.001 0.000 0.270 27 T C 1.335 176.116 174.700 0.135 0.000 1.088 27 T CA 0.924 63.089 62.100 0.109 0.000 1.127 27 T CB -0.217 68.720 68.868 0.114 0.000 0.883 27 T HN 0.236 nan 8.240 nan 0.000 0.493 28 F N 1.567 121.494 119.950 -0.039 0.000 2.074 28 F HA 0.006 4.533 4.527 0.001 0.000 0.293 28 F C 1.869 177.679 175.800 0.017 0.000 1.116 28 F CA 0.818 58.781 58.000 -0.062 0.000 1.212 28 F CB -0.249 38.556 39.000 -0.326 0.000 0.998 28 F HN -0.079 nan 8.300 nan 0.000 0.471 29 L N 1.040 122.158 121.223 -0.175 0.000 2.081 29 L HA -0.233 4.107 4.340 0.001 0.000 0.212 29 L C 2.317 179.186 176.870 -0.002 0.000 1.080 29 L CA 1.772 56.526 54.840 -0.142 0.000 0.754 29 L CB -1.613 40.447 42.059 0.003 0.000 0.893 29 L HN 0.362 nan 8.230 nan 0.000 0.433 30 E N -0.753 119.471 120.200 0.040 0.000 2.070 30 E HA -0.221 4.129 4.350 0.001 0.000 0.197 30 E C 1.970 178.701 176.600 0.218 0.000 1.004 30 E CA 2.024 58.504 56.400 0.133 0.000 0.805 30 E CB -0.007 29.791 29.700 0.163 0.000 0.744 30 E HN 0.485 nan 8.360 nan 0.000 0.451 31 T N 0.594 115.213 114.554 0.108 0.000 2.867 31 T HA -0.134 4.217 4.350 0.001 0.000 0.268 31 T C 1.422 176.185 174.700 0.104 0.000 1.057 31 T CA 0.846 63.011 62.100 0.109 0.000 1.136 31 T CB -0.306 68.594 68.868 0.053 0.000 0.874 31 T HN 0.203 nan 8.240 nan 0.000 0.466 32 F N 2.396 122.248 119.950 -0.162 0.000 2.051 32 F HA -0.137 4.390 4.527 0.001 0.000 0.296 32 F C 2.067 177.870 175.800 0.004 0.000 1.122 32 F CA 1.471 59.422 58.000 -0.082 0.000 1.201 32 F CB -0.488 38.321 39.000 -0.319 0.000 0.978 32 F HN 0.138 nan 8.300 nan 0.000 0.472 33 N N -0.956 117.658 118.700 -0.144 0.000 2.037 33 N HA -0.304 4.436 4.740 0.001 0.000 0.196 33 N C 1.737 176.981 175.510 -0.443 0.000 1.034 33 N CA 2.045 54.897 53.050 -0.331 0.000 0.861 33 N CB -0.585 37.797 38.487 -0.174 0.000 1.039 33 N HN 0.339 nan 8.380 nan 0.000 0.427 34 Y N 0.973 121.131 120.300 -0.237 0.000 2.224 34 Y HA -0.099 4.452 4.550 0.001 0.000 0.289 34 Y C 2.536 178.247 175.900 -0.316 0.000 1.146 34 Y CA 0.831 58.795 58.100 -0.227 0.000 1.182 34 Y CB 0.049 38.428 38.460 -0.135 0.000 0.983 34 Y HN 0.071 nan 8.280 nan 0.000 0.524 35 E N -0.121 119.970 120.200 -0.183 0.000 2.112 35 E HA -0.081 4.270 4.350 0.001 0.000 0.190 35 E C 2.379 178.548 176.600 -0.718 0.000 0.979 35 E CA 0.854 57.032 56.400 -0.371 0.000 0.814 35 E CB -0.306 29.259 29.700 -0.225 0.000 0.762 35 E HN 0.385 nan 8.360 nan 0.000 0.460 36 A N 1.235 123.565 122.820 -0.816 0.000 1.865 36 A HA -0.262 4.059 4.320 0.001 0.000 0.217 36 A C 2.148 179.180 177.584 -0.920 0.000 1.191 36 A CA 1.841 53.379 52.037 -0.831 0.000 0.623 36 A CB -0.702 17.506 19.000 -1.319 0.000 0.826 36 A HN 0.256 nan 8.150 nan 0.000 0.444 37 Q N -0.882 118.371 119.800 -0.911 0.000 2.173 37 Q HA -0.230 4.110 4.340 0.001 0.000 0.208 37 Q C 2.040 177.823 176.000 -0.361 0.000 0.989 37 Q CA 1.715 57.172 55.803 -0.576 0.000 0.872 37 Q CB -0.146 28.368 28.738 -0.374 0.000 0.909 37 Q HN 0.661 nan 8.270 nan 0.000 0.420 38 E N 0.330 120.323 120.200 -0.344 0.000 2.028 38 E HA -0.100 4.250 4.350 0.001 0.000 0.190 38 E C 2.160 178.621 176.600 -0.232 0.000 0.984 38 E CA 0.774 57.038 56.400 -0.227 0.000 0.800 38 E CB -0.281 29.301 29.700 -0.196 0.000 0.758 38 E HN 0.374 nan 8.360 nan 0.000 0.448 39 L N 0.881 121.895 121.223 -0.347 0.000 2.056 39 L HA -0.120 4.220 4.340 0.001 0.000 0.207 39 L C 2.721 179.312 176.870 -0.465 0.000 1.078 39 L CA 1.160 55.834 54.840 -0.276 0.000 0.749 39 L CB -0.567 41.405 42.059 -0.145 0.000 0.901 39 L HN 0.104 nan 8.230 nan 0.000 0.433 40 S N -0.580 114.577 115.700 -0.905 0.000 2.359 40 S HA -0.288 4.183 4.470 0.001 0.000 0.224 40 S C 2.107 176.410 174.600 -0.495 0.000 1.035 40 S CA 1.450 58.957 58.200 -1.154 0.000 1.018 40 S CB -0.431 62.166 63.200 -1.006 0.000 0.876 40 S HN 0.447 nan 8.310 nan 0.000 0.448 41 Y N 1.912 121.986 120.300 -0.378 0.000 2.165 41 Y HA -0.162 4.388 4.550 0.001 0.000 0.286 41 Y C 2.511 178.308 175.900 -0.172 0.000 1.155 41 Y CA 2.301 60.265 58.100 -0.227 0.000 1.164 41 Y CB -0.579 37.765 38.460 -0.193 0.000 0.978 41 Y HN 0.416 nan 8.280 nan 0.000 0.513 42 Q N -1.264 118.458 119.800 -0.130 0.000 2.170 42 Q HA -0.208 4.132 4.340 0.001 0.000 0.203 42 Q C 2.545 178.462 176.000 -0.140 0.000 0.976 42 Q CA 1.594 57.325 55.803 -0.119 0.000 0.858 42 Q CB -0.319 28.388 28.738 -0.051 0.000 0.907 42 Q HN 0.414 nan 8.270 nan 0.000 0.433 43 S N -0.008 115.587 115.700 -0.176 0.000 2.355 43 S HA -0.122 4.348 4.470 0.001 0.000 0.222 43 S C 2.080 176.647 174.600 -0.054 0.000 1.031 43 S CA 1.400 59.538 58.200 -0.104 0.000 0.993 43 S CB -0.053 63.039 63.200 -0.180 0.000 0.859 43 S HN 0.307 nan 8.310 nan 0.000 0.453 44 S N 0.974 116.601 115.700 -0.121 0.000 2.356 44 S HA -0.069 4.401 4.470 0.001 0.000 0.223 44 S C 1.924 176.568 174.600 0.073 0.000 1.032 44 S CA 1.400 59.626 58.200 0.043 0.000 1.005 44 S CB -0.616 62.561 63.200 -0.037 0.000 0.867 44 S HN 0.408 nan 8.310 nan 0.000 0.449 45 V N 2.036 121.810 119.914 -0.233 0.000 2.469 45 V HA -0.230 3.890 4.120 0.001 0.000 0.251 45 V C 2.524 178.620 176.094 0.003 0.000 1.064 45 V CA 1.655 63.819 62.300 -0.227 0.000 1.066 45 V CB -1.259 30.314 31.823 -0.417 0.000 0.667 45 V HN 0.538 nan 8.190 nan 0.000 0.461 46 A N -0.567 122.265 122.820 0.020 0.000 1.832 46 A HA -0.175 4.145 4.320 0.001 0.000 0.214 46 A C 2.494 180.188 177.584 0.183 0.000 1.204 46 A CA 1.953 54.041 52.037 0.084 0.000 0.606 46 A CB -0.968 18.063 19.000 0.053 0.000 0.849 46 A HN 0.450 nan 8.150 nan 0.000 0.445 47 S N -1.270 114.575 115.700 0.242 0.000 2.380 47 S HA -0.226 4.244 4.470 0.001 0.000 0.229 47 S C 1.612 176.496 174.600 0.474 0.000 1.043 47 S CA 1.496 59.929 58.200 0.389 0.000 1.038 47 S CB -0.507 62.946 63.200 0.422 0.000 0.872 47 S HN 0.730 nan 8.310 nan 0.000 0.456 48 W N 2.481 123.851 121.300 0.116 0.000 2.353 48 W HA -0.134 4.527 4.660 0.001 0.000 0.319 48 W C 1.779 178.143 176.519 -0.258 0.000 1.207 48 W CA 1.447 58.507 57.345 -0.475 0.000 1.291 48 W CB -1.120 27.895 29.460 -0.742 0.000 1.159 48 W HN 0.384 nan 8.180 nan 0.000 0.478 49 N N -0.555 118.214 118.700 0.115 0.000 2.132 49 N HA -0.318 4.423 4.740 0.001 0.000 0.191 49 N C 1.795 177.263 175.510 -0.069 0.000 1.015 49 N CA 2.044 55.111 53.050 0.029 0.000 0.864 49 N CB -0.772 37.778 38.487 0.105 0.000 1.006 49 N HN 0.233 nan 8.380 nan 0.000 0.430 50 Y N 1.894 122.142 120.300 -0.086 0.000 2.133 50 Y HA -0.080 4.471 4.550 0.001 0.000 0.287 50 Y C 1.759 177.580 175.900 -0.132 0.000 1.134 50 Y CA 1.520 59.578 58.100 -0.069 0.000 1.133 50 Y CB -0.488 37.972 38.460 0.000 0.000 0.987 50 Y HN -0.031 nan 8.280 nan 0.000 0.502 51 N N -0.550 117.899 118.700 -0.417 0.000 2.289 51 N HA -0.131 4.609 4.740 0.001 0.000 0.184 51 N C 1.612 176.757 175.510 -0.607 0.000 1.016 51 N CA 2.100 54.828 53.050 -0.535 0.000 0.872 51 N CB -0.307 38.092 38.487 -0.146 0.000 0.973 51 N HN 0.629 nan 8.380 nan 0.000 0.433 52 T N -3.777 110.339 114.554 -0.730 0.000 3.051 52 T HA 0.110 4.461 4.350 0.001 0.000 0.255 52 T C 0.436 174.897 174.700 -0.399 0.000 1.085 52 T CA 0.146 61.846 62.100 -0.668 0.000 1.109 52 T CB 0.106 68.407 68.868 -0.944 0.000 0.921 52 T HN -0.045 nan 8.240 nan 0.000 0.488 53 N N 0.728 119.223 118.700 -0.342 0.000 2.653 53 N HA 0.310 5.050 4.740 0.001 0.000 0.261 53 N C -0.496 174.901 175.510 -0.188 0.000 1.216 53 N CA -0.624 52.301 53.050 -0.209 0.000 0.784 53 N CB 0.556 38.968 38.487 -0.126 0.000 1.327 53 N HN 0.260 nan 8.380 nan 0.000 0.539 54 I N 1.424 121.861 120.570 -0.222 0.000 3.426 54 I HA -0.013 4.157 4.170 0.001 0.000 0.295 54 I C 0.350 176.472 176.117 0.007 0.000 1.215 54 I CA 0.199 61.390 61.300 -0.181 0.000 1.383 54 I CB -1.312 36.567 38.000 -0.203 0.000 1.110 54 I HN 0.286 nan 8.210 nan 0.000 0.540 55 T N 0.348 114.918 114.554 0.027 0.000 2.802 55 T HA -0.035 4.315 4.350 0.001 0.000 0.305 55 T C 1.302 176.056 174.700 0.090 0.000 1.053 55 T CA -0.223 61.906 62.100 0.047 0.000 1.058 55 T CB 1.647 70.534 68.868 0.032 0.000 0.988 55 T HN 0.340 nan 8.240 nan 0.000 0.539 56 E N 1.202 121.440 120.200 0.065 0.000 2.028 56 E HA -0.177 4.173 4.350 0.001 0.000 0.191 56 E C 2.195 178.829 176.600 0.057 0.000 0.988 56 E CA 1.947 58.384 56.400 0.062 0.000 0.799 56 E CB -0.242 29.483 29.700 0.042 0.000 0.755 56 E HN 0.853 nan 8.360 nan 0.000 0.447 57 E N 0.089 120.317 120.200 0.046 0.000 2.136 57 E HA -0.310 4.041 4.350 0.001 0.000 0.202 57 E C 1.834 178.465 176.600 0.050 0.000 1.019 57 E CA 1.618 58.042 56.400 0.040 0.000 0.819 57 E CB -0.501 29.220 29.700 0.034 0.000 0.739 57 E HN 0.202 nan 8.360 nan 0.000 0.458 58 N N 0.680 119.427 118.700 0.078 0.000 2.120 58 N HA -0.129 4.612 4.740 0.001 0.000 0.188 58 N C 1.990 177.551 175.510 0.084 0.000 1.024 58 N CA 1.360 54.476 53.050 0.110 0.000 0.852 58 N CB -0.283 38.308 38.487 0.173 0.000 1.003 58 N HN 0.140 nan 8.380 nan 0.000 0.424 59 V N 1.342 121.294 119.914 0.064 0.000 2.594 59 V HA -0.236 3.884 4.120 0.001 0.000 0.253 59 V C 2.023 178.071 176.094 -0.078 0.000 1.069 59 V CA 1.660 63.899 62.300 -0.101 0.000 1.082 59 V CB -0.147 31.634 31.823 -0.070 0.000 0.680 59 V HN 0.181 nan 8.190 nan 0.000 0.469 60 Q N 0.248 120.039 119.800 -0.015 0.000 1.994 60 Q HA -0.101 4.240 4.340 0.001 0.000 0.198 60 Q C 2.141 178.142 176.000 0.001 0.000 0.976 60 Q CA 2.076 57.876 55.803 -0.005 0.000 0.828 60 Q CB -0.472 28.272 28.738 0.011 0.000 0.894 60 Q HN 0.614 nan 8.270 nan 0.000 0.432 61 N N -0.160 118.550 118.700 0.016 0.000 2.104 61 N HA -0.177 4.563 4.740 0.001 0.000 0.190 61 N C 1.515 177.040 175.510 0.025 0.000 1.024 61 N CA 1.130 54.195 53.050 0.026 0.000 0.853 61 N CB -0.288 38.221 38.487 0.036 0.000 1.008 61 N HN 0.282 nan 8.380 nan 0.000 0.424 62 M N 0.551 120.158 119.600 0.011 0.000 2.213 62 M HA -0.134 4.347 4.480 0.001 0.000 0.263 62 M C 0.697 176.997 176.300 0.001 0.000 1.062 62 M CA 1.546 56.849 55.300 0.005 0.000 1.105 62 M CB -0.112 32.442 32.600 -0.077 0.000 1.385 62 M HN 0.065 nan 8.290 nan 0.000 0.417 63 N N 0.162 118.851 118.700 -0.018 0.000 2.290 63 N HA -0.063 4.678 4.740 0.001 0.000 0.179 63 N C 1.255 176.786 175.510 0.036 0.000 1.016 63 N CA 0.922 53.976 53.050 0.006 0.000 0.871 63 N CB -0.238 38.241 38.487 -0.014 0.000 0.987 63 N HN 0.288 nan 8.380 nan 0.000 0.431 64 N N 0.799 119.518 118.700 0.031 0.000 2.020 64 N HA -0.191 4.549 4.740 0.001 0.000 0.200 64 N C 1.497 177.045 175.510 0.063 0.000 1.054 64 N CA 2.182 55.257 53.050 0.042 0.000 0.874 64 N CB -0.365 38.142 38.487 0.033 0.000 1.075 64 N HN 0.290 nan 8.380 nan 0.000 0.446 65 A N -0.583 122.275 122.820 0.062 0.000 2.015 65 A HA 0.077 4.397 4.320 0.001 0.000 0.219 65 A C 2.227 179.897 177.584 0.144 0.000 1.163 65 A CA 1.636 53.722 52.037 0.081 0.000 0.646 65 A CB -1.100 17.923 19.000 0.038 0.000 0.806 65 A HN 0.461 nan 8.150 nan 0.000 0.448 66 G N -0.152 108.726 108.800 0.129 0.000 2.432 66 G HA2 -0.204 3.757 3.960 0.001 0.000 0.219 66 G HA3 -0.204 3.757 3.960 0.001 0.000 0.219 66 G C 1.077 176.094 174.900 0.195 0.000 1.135 66 G CA 1.238 46.443 45.100 0.175 0.000 0.767 66 G HN 0.521 nan 8.290 nan 0.000 0.550 67 D N 0.481 120.967 120.400 0.142 0.000 2.269 67 D HA 0.028 4.668 4.640 0.001 0.000 0.220 67 D C 2.375 178.761 176.300 0.144 0.000 0.962 67 D CA 0.485 54.556 54.000 0.118 0.000 0.884 67 D CB -0.210 40.636 40.800 0.077 0.000 1.023 67 D HN 0.211 nan 8.370 nan 0.000 0.484 68 K N 0.651 121.145 120.400 0.156 0.000 2.059 68 K HA -0.182 4.138 4.320 0.001 0.000 0.212 68 K C 2.073 178.842 176.600 0.282 0.000 1.050 68 K CA 1.232 57.627 56.287 0.179 0.000 0.927 68 K CB -0.192 32.395 32.500 0.145 0.000 0.714 68 K HN 0.329 nan 8.250 nan 0.000 0.447 69 W N 1.577 122.932 121.300 0.092 0.000 2.355 69 W HA -0.233 4.427 4.660 0.001 0.000 0.309 69 W C 1.861 178.501 176.519 0.201 0.000 1.206 69 W CA 1.461 58.886 57.345 0.134 0.000 1.284 69 W CB -0.084 29.431 29.460 0.091 0.000 1.145 69 W HN 0.048 nan 8.180 nan 0.000 0.502 70 S N 1.154 116.885 115.700 0.051 0.000 2.353 70 S HA -0.222 4.248 4.470 0.001 0.000 0.222 70 S C 2.114 176.680 174.600 -0.057 0.000 1.035 70 S CA 1.865 60.010 58.200 -0.091 0.000 1.025 70 S CB -1.104 62.101 63.200 0.008 0.000 0.902 70 S HN 0.412 nan 8.310 nan 0.000 0.440 71 A N 1.541 124.388 122.820 0.045 0.000 1.873 71 A HA -0.174 4.147 4.320 0.001 0.000 0.218 71 A C 1.920 179.547 177.584 0.072 0.000 1.193 71 A CA 1.979 54.052 52.037 0.059 0.000 0.629 71 A CB -1.179 17.879 19.000 0.096 0.000 0.826 71 A HN 0.475 nan 8.150 nan 0.000 0.447 72 F N 0.644 120.590 119.950 -0.008 0.000 2.063 72 F HA -0.243 4.284 4.527 0.001 0.000 0.298 72 F C 1.953 177.737 175.800 -0.026 0.000 1.109 72 F CA 2.123 60.135 58.000 0.019 0.000 1.212 72 F CB -0.480 38.573 39.000 0.088 0.000 0.973 72 F HN 0.171 nan 8.300 nan 0.000 0.480 73 L N 0.118 121.214 121.223 -0.211 0.000 2.012 73 L HA -0.260 4.081 4.340 0.001 0.000 0.210 73 L C 2.712 179.446 176.870 -0.226 0.000 1.073 73 L CA 1.688 56.343 54.840 -0.308 0.000 0.748 73 L CB -0.924 40.900 42.059 -0.392 0.000 0.891 73 L HN 0.072 nan 8.230 nan 0.000 0.431 74 K N 0.506 120.815 120.400 -0.151 0.000 2.032 74 K HA -0.257 4.063 4.320 0.001 0.000 0.209 74 K C 1.998 178.543 176.600 -0.092 0.000 1.048 74 K CA 1.832 58.062 56.287 -0.096 0.000 0.927 74 K CB -0.168 32.298 32.500 -0.057 0.000 0.712 74 K HN 0.377 nan 8.250 nan 0.000 0.441 75 E N -0.213 119.928 120.200 -0.099 0.000 2.072 75 E HA -0.185 4.166 4.350 0.001 0.000 0.191 75 E C 1.909 178.449 176.600 -0.100 0.000 0.985 75 E CA 0.908 57.264 56.400 -0.074 0.000 0.801 75 E CB 0.200 29.878 29.700 -0.037 0.000 0.750 75 E HN 0.246 nan 8.360 nan 0.000 0.452 76 Q N 0.239 119.902 119.800 -0.228 0.000 2.079 76 Q HA -0.118 4.222 4.340 0.001 0.000 0.200 76 Q C 2.460 178.415 176.000 -0.074 0.000 0.974 76 Q CA 1.594 57.292 55.803 -0.175 0.000 0.840 76 Q CB -0.478 27.994 28.738 -0.443 0.000 0.898 76 Q HN 0.338 nan 8.270 nan 0.000 0.430 77 S N 0.894 116.515 115.700 -0.133 0.000 2.353 77 S HA -0.199 4.272 4.470 0.001 0.000 0.222 77 S C 2.198 176.766 174.600 -0.053 0.000 1.035 77 S CA 2.241 60.387 58.200 -0.091 0.000 1.025 77 S CB -1.223 61.928 63.200 -0.082 0.000 0.902 77 S HN 0.536 nan 8.310 nan 0.000 0.440 78 T N 1.036 115.559 114.554 -0.051 0.000 2.720 78 T HA -0.031 4.319 4.350 0.001 0.000 0.268 78 T C 1.756 176.428 174.700 -0.047 0.000 1.037 78 T CA 1.406 63.481 62.100 -0.042 0.000 1.144 78 T CB -0.766 68.080 68.868 -0.036 0.000 0.864 78 T HN 0.243 nan 8.240 nan 0.000 0.444 79 L N 1.649 122.851 121.223 -0.035 0.000 2.044 79 L HA 0.277 4.617 4.340 0.001 0.000 0.205 79 L C 3.128 179.894 176.870 -0.173 0.000 1.075 79 L CA 1.606 56.406 54.840 -0.066 0.000 0.747 79 L CB -1.075 41.002 42.059 0.030 0.000 0.903 79 L HN 0.375 nan 8.230 nan 0.000 0.435 80 A N -1.385 121.350 122.820 -0.141 0.000 2.131 80 A HA -0.279 4.042 4.320 0.001 0.000 0.220 80 A C 2.217 179.772 177.584 -0.048 0.000 1.158 80 A CA 1.553 53.482 52.037 -0.180 0.000 0.665 80 A CB -0.494 18.536 19.000 0.051 0.000 0.795 80 A HN 0.440 nan 8.150 nan 0.000 0.460 81 Q N -0.584 119.185 119.800 -0.052 0.000 2.119 81 Q HA 0.056 4.396 4.340 0.001 0.000 0.201 81 Q C 1.700 177.664 176.000 -0.061 0.000 0.972 81 Q CA 1.219 56.997 55.803 -0.041 0.000 0.847 81 Q CB -0.339 28.372 28.738 -0.045 0.000 0.903 81 Q HN 0.721 nan 8.270 nan 0.000 0.433 82 M N 0.178 119.709 119.600 -0.115 0.000 2.752 82 M HA -0.008 4.472 4.480 0.001 0.000 0.214 82 M C -0.855 175.187 176.300 -0.430 0.000 1.123 82 M CA 0.433 55.583 55.300 -0.250 0.000 1.017 82 M CB -0.056 32.352 32.600 -0.320 0.000 1.785 82 M HN 0.008 nan 8.290 nan 0.000 0.499 83 Y N 0.681 120.873 120.300 -0.178 0.000 2.338 83 Y HA 0.343 4.893 4.550 0.001 0.000 0.333 83 Y C -2.149 173.693 175.900 -0.096 0.000 0.968 83 Y CA -2.738 55.276 58.100 -0.144 0.000 1.123 83 Y CB 1.259 39.614 38.460 -0.175 0.000 1.165 83 Y HN -0.013 nan 8.280 nan 0.000 0.452 84 P HA 0.107 nan 4.420 nan 0.000 0.266 84 P C 0.609 177.926 177.300 0.028 0.000 1.586 84 P CA -0.123 62.982 63.100 0.008 0.000 1.088 84 P CB 0.278 31.966 31.700 -0.021 0.000 1.584 85 L N 1.558 122.795 121.223 0.023 0.000 2.275 85 L HA -0.155 4.185 4.340 0.001 0.000 0.215 85 L C 1.551 178.424 176.870 0.005 0.000 1.119 85 L CA 1.146 55.997 54.840 0.019 0.000 0.790 85 L CB -1.154 40.912 42.059 0.011 0.000 0.919 85 L HN 0.063 nan 8.230 nan 0.000 0.443 86 Q N 1.065 120.860 119.800 -0.009 0.000 2.291 86 Q HA -0.112 4.229 4.340 0.001 0.000 0.205 86 Q C 1.379 177.374 176.000 -0.008 0.000 0.970 86 Q CA 1.260 57.054 55.803 -0.016 0.000 0.876 86 Q CB -0.242 28.477 28.738 -0.032 0.000 0.935 86 Q HN 0.644 nan 8.270 nan 0.000 0.455 87 E N 0.593 120.792 120.200 -0.001 0.000 2.411 87 E HA 0.209 4.559 4.350 0.001 0.000 0.228 87 E C -0.950 175.660 176.600 0.017 0.000 1.169 87 E CA -0.145 56.257 56.400 0.004 0.000 1.421 87 E CB 0.034 29.734 29.700 0.001 0.000 1.333 87 E HN 0.248 nan 8.360 nan 0.000 0.434 88 I N 2.307 122.887 120.570 0.016 0.000 2.512 88 I HA 0.106 4.277 4.170 0.001 0.000 0.287 88 I C -0.365 175.761 176.117 0.014 0.000 1.069 88 I CA -0.852 60.461 61.300 0.021 0.000 1.056 88 I CB 1.984 39.999 38.000 0.026 0.000 1.229 88 I HN 0.051 nan 8.210 nan 0.000 0.429 89 Q N 6.079 125.887 119.800 0.015 0.000 3.091 89 Q HA 0.305 4.645 4.340 0.001 0.000 0.301 89 Q C -0.815 175.191 176.000 0.010 0.000 1.337 89 Q CA -0.103 55.707 55.803 0.011 0.000 1.083 89 Q CB 0.287 29.031 28.738 0.010 0.000 1.477 89 Q HN 0.718 nan 8.270 nan 0.000 0.537 90 N N 1.637 120.342 118.700 0.009 0.000 2.905 90 N HA 0.049 4.790 4.740 0.001 0.000 0.255 90 N C -0.200 175.312 175.510 0.003 0.000 1.199 90 N CA -0.151 52.903 53.050 0.007 0.000 0.911 90 N CB 0.751 39.245 38.487 0.011 0.000 1.550 90 N HN 0.014 nan 8.380 nan 0.000 0.599 91 L N 1.996 123.218 121.223 -0.003 0.000 1.987 91 L HA -0.260 4.081 4.340 0.001 0.000 0.230 91 L C 2.509 179.375 176.870 -0.008 0.000 1.089 91 L CA 2.226 57.062 54.840 -0.008 0.000 0.802 91 L CB -1.364 40.683 42.059 -0.020 0.000 0.905 91 L HN 0.626 nan 8.230 nan 0.000 0.441 92 T N -0.061 114.487 114.554 -0.010 0.000 2.536 92 T HA -0.286 4.065 4.350 0.001 0.000 0.263 92 T C 1.898 176.598 174.700 -0.001 0.000 1.115 92 T CA 2.800 64.895 62.100 -0.008 0.000 1.180 92 T CB -0.910 67.955 68.868 -0.005 0.000 0.864 92 T HN 0.374 nan 8.240 nan 0.000 0.419 93 V N 1.030 120.947 119.914 0.006 0.000 2.324 93 V HA -0.269 3.851 4.120 0.001 0.000 0.250 93 V C 2.182 178.280 176.094 0.006 0.000 1.060 93 V CA 2.014 64.320 62.300 0.009 0.000 1.042 93 V CB -0.965 30.866 31.823 0.012 0.000 0.650 93 V HN 0.452 nan 8.190 nan 0.000 0.450 94 K N 0.387 120.790 120.400 0.006 0.000 2.044 94 K HA -0.141 4.179 4.320 0.001 0.000 0.210 94 K C 2.227 178.828 176.600 0.003 0.000 1.049 94 K CA 2.172 58.463 56.287 0.006 0.000 0.927 94 K CB -0.582 31.922 32.500 0.006 0.000 0.713 94 K HN 0.475 nan 8.250 nan 0.000 0.443 95 L N 1.409 122.632 121.223 0.000 0.000 1.989 95 L HA -0.290 4.050 4.340 0.001 0.000 0.211 95 L C 2.742 179.610 176.870 -0.004 0.000 1.071 95 L CA 1.554 56.392 54.840 -0.003 0.000 0.749 95 L CB -0.566 41.486 42.059 -0.012 0.000 0.890 95 L HN 0.292 nan 8.230 nan 0.000 0.431 96 Q N -0.246 119.554 119.800 -0.000 0.000 2.061 96 Q HA -0.236 4.104 4.340 0.001 0.000 0.204 96 Q C 2.373 178.357 176.000 -0.027 0.000 0.984 96 Q CA 1.439 57.243 55.803 0.003 0.000 0.846 96 Q CB -0.435 28.318 28.738 0.025 0.000 0.902 96 Q HN 0.504 nan 8.270 nan 0.000 0.421 97 L N 0.815 122.026 121.223 -0.019 0.000 1.990 97 L HA -0.272 4.068 4.340 0.001 0.000 0.213 97 L C 2.851 179.708 176.870 -0.022 0.000 1.072 97 L CA 1.613 56.441 54.840 -0.021 0.000 0.755 97 L CB -0.515 41.541 42.059 -0.005 0.000 0.889 97 L HN 0.372 nan 8.230 nan 0.000 0.432 98 Q N -0.463 119.333 119.800 -0.007 0.000 2.135 98 Q HA -0.253 4.088 4.340 0.001 0.000 0.204 98 Q C 2.193 178.195 176.000 0.004 0.000 0.981 98 Q CA 1.732 57.538 55.803 0.004 0.000 0.856 98 Q CB -0.034 28.712 28.738 0.013 0.000 0.902 98 Q HN 0.574 nan 8.270 nan 0.000 0.425 99 A N 0.848 123.664 122.820 -0.007 0.000 1.883 99 A HA -0.186 4.135 4.320 0.001 0.000 0.217 99 A C 2.069 179.638 177.584 -0.025 0.000 1.186 99 A CA 1.217 53.251 52.037 -0.006 0.000 0.624 99 A CB -0.778 18.221 19.000 -0.001 0.000 0.822 99 A HN 0.435 nan 8.150 nan 0.000 0.444 100 L N -0.800 120.375 121.223 -0.080 0.000 2.093 100 L HA -0.161 4.179 4.340 0.001 0.000 0.208 100 L C 1.532 178.360 176.870 -0.070 0.000 1.085 100 L CA 0.826 55.581 54.840 -0.141 0.000 0.755 100 L CB -0.386 41.514 42.059 -0.265 0.000 0.904 100 L HN 0.474 nan 8.230 nan 0.000 0.435 101 Q N 0.688 120.468 119.800 -0.032 0.000 2.892 101 Q HA -0.078 4.263 4.340 0.001 0.000 0.237 101 Q C -0.375 175.641 176.000 0.027 0.000 1.157 101 Q CA 0.030 55.829 55.803 -0.005 0.000 0.939 101 Q CB -0.142 28.598 28.738 0.003 0.000 1.715 101 Q HN 0.160 nan 8.270 nan 0.000 0.451 102 Q N 0.550 120.362 119.800 0.021 0.000 2.569 102 Q HA 0.130 4.470 4.340 0.001 0.000 0.226 102 Q C 0.400 176.428 176.000 0.046 0.000 1.136 102 Q CA -0.080 55.760 55.803 0.063 0.000 0.947 102 Q CB 0.177 28.949 28.738 0.057 0.000 1.218 102 Q HN 0.285 nan 8.270 nan 0.000 0.547 103 N N 1.754 120.490 118.700 0.060 0.000 2.417 103 N HA -0.167 4.573 4.740 0.001 0.000 0.187 103 N C 0.808 176.329 175.510 0.019 0.000 1.027 103 N CA 1.047 54.116 53.050 0.031 0.000 0.891 103 N CB 0.081 38.591 38.487 0.038 0.000 0.956 103 N HN 0.778 nan 8.380 nan 0.000 0.442 104 G N 0.210 109.040 108.800 0.051 0.000 2.582 104 G HA2 -0.368 3.593 3.960 0.001 0.000 0.300 104 G HA3 -0.368 3.593 3.960 0.001 0.000 0.300 104 G C 1.003 175.886 174.900 -0.028 0.000 1.300 104 G CA 0.564 45.684 45.100 0.033 0.000 0.959 104 G HN 0.301 nan 8.290 nan 0.000 0.548 105 S N -0.004 115.668 115.700 -0.048 0.000 2.402 105 S HA -0.076 4.395 4.470 0.001 0.000 0.229 105 S C 2.701 177.255 174.600 -0.078 0.000 1.021 105 S CA 1.786 59.934 58.200 -0.087 0.000 0.974 105 S CB -0.389 62.765 63.200 -0.077 0.000 0.800 105 S HN 0.797 nan 8.310 nan 0.000 0.484 106 S N 1.221 116.890 115.700 -0.053 0.000 2.407 106 S HA -0.136 4.334 4.470 0.001 0.000 0.235 106 S C 1.848 176.416 174.600 -0.054 0.000 1.036 106 S CA 1.056 59.227 58.200 -0.048 0.000 1.013 106 S CB -0.652 62.526 63.200 -0.036 0.000 0.820 106 S HN 0.393 nan 8.310 nan 0.000 0.476 107 V N 1.552 121.432 119.914 -0.056 0.000 2.794 107 V HA -0.125 3.996 4.120 0.001 0.000 0.260 107 V C 1.129 177.174 176.094 -0.082 0.000 1.103 107 V CA 1.282 63.544 62.300 -0.062 0.000 1.125 107 V CB -0.538 31.249 31.823 -0.059 0.000 0.702 107 V HN 0.331 nan 8.190 nan 0.000 0.494 108 L N -0.452 120.715 121.223 -0.094 0.000 2.788 108 L HA 0.332 4.673 4.340 0.001 0.000 0.151 108 L C 0.761 177.583 176.870 -0.079 0.000 1.548 108 L CA 0.496 55.275 54.840 -0.101 0.000 2.184 108 L CB -0.037 41.950 42.059 -0.120 0.000 2.730 108 L HN 0.339 nan 8.230 nan 0.000 0.588 109 S N -2.271 113.383 115.700 -0.076 0.000 2.632 109 S HA 0.234 4.705 4.470 0.001 0.000 0.289 109 S C 0.343 174.910 174.600 -0.055 0.000 1.115 109 S CA -0.576 57.587 58.200 -0.061 0.000 0.889 109 S CB 1.951 65.116 63.200 -0.058 0.000 1.116 109 S HN 0.529 nan 8.310 nan 0.000 0.486 110 E N 1.355 121.528 120.200 -0.045 0.000 2.149 110 E HA -0.310 4.040 4.350 0.001 0.000 0.215 110 E C 0.863 177.438 176.600 -0.041 0.000 1.055 110 E CA 2.937 59.314 56.400 -0.039 0.000 0.870 110 E CB -0.677 29.004 29.700 -0.032 0.000 0.764 110 E HN 0.808 nan 8.360 nan 0.000 0.463 111 D N -0.534 119.840 120.400 -0.043 0.000 2.120 111 D HA -0.055 4.585 4.640 0.001 0.000 0.202 111 D C 1.877 178.144 176.300 -0.054 0.000 0.972 111 D CA 1.201 55.175 54.000 -0.044 0.000 0.837 111 D CB -0.076 40.699 40.800 -0.041 0.000 0.989 111 D HN 0.157 nan 8.370 nan 0.000 0.469 112 K N 0.669 121.030 120.400 -0.066 0.000 2.001 112 K HA -0.111 4.210 4.320 0.001 0.000 0.214 112 K C 2.302 178.848 176.600 -0.089 0.000 1.050 112 K CA 1.456 57.692 56.287 -0.085 0.000 0.934 112 K CB -0.242 32.198 32.500 -0.100 0.000 0.718 112 K HN -0.020 nan 8.250 nan 0.000 0.443 113 S N 1.083 116.733 115.700 -0.084 0.000 2.383 113 S HA -0.175 4.295 4.470 0.001 0.000 0.229 113 S C 1.859 176.423 174.600 -0.061 0.000 1.030 113 S CA 1.219 59.371 58.200 -0.080 0.000 1.002 113 S CB -0.138 63.021 63.200 -0.068 0.000 0.829 113 S HN 0.285 nan 8.310 nan 0.000 0.467 114 K N 1.222 121.592 120.400 -0.049 0.000 1.985 114 K HA -0.169 4.151 4.320 0.001 0.000 0.210 114 K C 2.391 178.969 176.600 -0.037 0.000 1.047 114 K CA 1.476 57.741 56.287 -0.037 0.000 0.932 114 K CB -0.200 32.281 32.500 -0.031 0.000 0.716 114 K HN 0.047 nan 8.250 nan 0.000 0.439 115 R N 1.309 121.783 120.500 -0.043 0.000 2.094 115 R HA -0.164 4.176 4.340 0.001 0.000 0.239 115 R C 2.366 178.641 176.300 -0.041 0.000 1.137 115 R CA 1.695 57.771 56.100 -0.040 0.000 0.943 115 R CB -1.148 29.124 30.300 -0.046 0.000 0.850 115 R HN 0.341 nan 8.270 nan 0.000 0.433 116 L N 1.093 122.277 121.223 -0.066 0.000 1.997 116 L HA -0.227 4.113 4.340 0.001 0.000 0.216 116 L C 1.366 178.214 176.870 -0.036 0.000 1.074 116 L CA 2.270 57.064 54.840 -0.077 0.000 0.763 116 L CB -1.075 40.899 42.059 -0.140 0.000 0.890 116 L HN 0.268 nan 8.230 nan 0.000 0.434 117 N N -0.989 117.689 118.700 -0.037 0.000 2.205 117 N HA -0.149 4.591 4.740 0.001 0.000 0.186 117 N C 1.665 177.172 175.510 -0.004 0.000 1.015 117 N CA 1.744 54.784 53.050 -0.017 0.000 0.862 117 N CB -0.691 37.785 38.487 -0.019 0.000 0.986 117 N HN 0.482 nan 8.380 nan 0.000 0.429 118 T N 1.721 116.270 114.554 -0.008 0.000 2.652 118 T HA -0.068 4.282 4.350 0.001 0.000 0.267 118 T C 1.838 176.543 174.700 0.009 0.000 1.039 118 T CA 0.834 62.934 62.100 -0.001 0.000 1.153 118 T CB -0.181 68.683 68.868 -0.006 0.000 0.863 118 T HN 0.094 nan 8.240 nan 0.000 0.428 119 I N 1.427 122.006 120.570 0.015 0.000 2.069 119 I HA -0.142 4.028 4.170 0.001 0.000 0.237 119 I C 2.529 178.669 176.117 0.038 0.000 1.053 119 I CA 1.407 62.730 61.300 0.038 0.000 1.311 119 I CB -1.640 36.403 38.000 0.071 0.000 1.030 119 I HN 0.249 nan 8.210 nan 0.000 0.398 120 L N 0.668 121.922 121.223 0.051 0.000 2.010 120 L HA -0.312 4.029 4.340 0.001 0.000 0.219 120 L C 2.470 179.340 176.870 -0.001 0.000 1.077 120 L CA 1.816 56.675 54.840 0.031 0.000 0.773 120 L CB -0.795 41.284 42.059 0.034 0.000 0.892 120 L HN 0.395 nan 8.230 nan 0.000 0.436 121 N N -0.968 117.736 118.700 0.007 0.000 2.188 121 N HA -0.126 4.615 4.740 0.001 0.000 0.184 121 N C 1.757 177.277 175.510 0.016 0.000 1.018 121 N CA 1.935 54.991 53.050 0.010 0.000 0.858 121 N CB -0.254 38.240 38.487 0.013 0.000 0.989 121 N HN 0.423 nan 8.380 nan 0.000 0.426 122 T N 1.950 116.513 114.554 0.015 0.000 2.701 122 T HA -0.039 4.311 4.350 0.001 0.000 0.263 122 T C 2.168 176.880 174.700 0.019 0.000 1.040 122 T CA 0.969 63.079 62.100 0.018 0.000 1.147 122 T CB -0.146 68.730 68.868 0.014 0.000 0.865 122 T HN 0.183 nan 8.240 nan 0.000 0.426 123 M N 1.243 120.848 119.600 0.009 0.000 2.108 123 M HA -0.123 4.357 4.480 0.001 0.000 0.261 123 M C 2.764 179.074 176.300 0.018 0.000 1.066 123 M CA 1.290 56.591 55.300 0.001 0.000 1.107 123 M CB -0.633 31.945 32.600 -0.037 0.000 1.356 123 M HN 0.232 nan 8.290 nan 0.000 0.406 124 S N -0.157 115.541 115.700 -0.003 0.000 2.370 124 S HA -0.144 4.327 4.470 0.001 0.000 0.226 124 S C 1.831 176.500 174.600 0.115 0.000 1.033 124 S CA 2.013 60.223 58.200 0.016 0.000 1.011 124 S CB -0.259 62.937 63.200 -0.006 0.000 0.852 124 S HN 0.493 nan 8.310 nan 0.000 0.457 125 T N 2.518 117.125 114.554 0.089 0.000 2.701 125 T HA 0.011 4.362 4.350 0.001 0.000 0.263 125 T C 1.756 176.524 174.700 0.112 0.000 1.040 125 T CA 1.526 63.687 62.100 0.101 0.000 1.147 125 T CB -0.498 68.408 68.868 0.065 0.000 0.865 125 T HN 0.389 nan 8.240 nan 0.000 0.426 126 I N 0.160 120.775 120.570 0.075 0.000 2.113 126 I HA -0.289 3.881 4.170 0.001 0.000 0.242 126 I C 2.291 178.450 176.117 0.070 0.000 1.064 126 I CA 1.894 63.216 61.300 0.038 0.000 1.320 126 I CB -0.464 37.531 38.000 -0.008 0.000 1.028 126 I HN 0.215 nan 8.210 nan 0.000 0.406 127 Y N 1.759 122.078 120.300 0.031 0.000 2.145 127 Y HA -0.314 4.236 4.550 0.001 0.000 0.286 127 Y C 2.855 178.939 175.900 0.308 0.000 1.145 127 Y CA 1.951 60.140 58.100 0.149 0.000 1.148 127 Y CB -0.331 38.236 38.460 0.178 0.000 0.981 127 Y HN 0.276 nan 8.280 nan 0.000 0.507 128 S N -2.959 113.017 115.700 0.460 0.000 2.461 128 S HA -0.099 4.372 4.470 0.001 0.000 0.228 128 S C 1.843 176.580 174.600 0.228 0.000 1.005 128 S CA 1.253 59.683 58.200 0.383 0.000 0.942 128 S CB -0.435 62.972 63.200 0.345 0.000 0.776 128 S HN 0.470 nan 8.310 nan 0.000 0.514 129 T N 0.848 115.504 114.554 0.170 0.000 2.971 129 T HA 0.369 4.719 4.350 0.001 0.000 0.252 129 T C 0.854 175.607 174.700 0.087 0.000 1.022 129 T CA 0.297 62.466 62.100 0.116 0.000 0.980 129 T CB -0.431 68.490 68.868 0.088 0.000 1.044 129 T HN 0.531 nan 8.240 nan 0.000 0.501 130 G N 2.589 111.425 108.800 0.061 0.000 2.432 130 G HA2 0.421 4.381 3.960 0.001 0.000 0.239 130 G HA3 0.421 4.381 3.960 0.001 0.000 0.239 130 G C -0.587 174.381 174.900 0.114 0.000 1.291 130 G CA -0.202 44.892 45.100 -0.010 0.000 0.863 130 G HN 0.608 nan 8.290 nan 0.000 0.560 131 K N -0.200 120.241 120.400 0.070 0.000 2.482 131 K HA 0.705 5.026 4.320 0.001 0.000 0.257 131 K C -0.971 175.669 176.600 0.068 0.000 0.969 131 K CA -1.036 55.317 56.287 0.111 0.000 0.842 131 K CB 2.316 34.866 32.500 0.085 0.000 1.359 131 K HN 0.529 nan 8.250 nan 0.000 0.441 132 V N -2.063 117.895 119.914 0.074 0.000 2.769 132 V HA 0.698 4.818 4.120 0.001 0.000 0.312 132 V C -0.605 175.564 176.094 0.126 0.000 1.061 132 V CA -0.709 61.618 62.300 0.044 0.000 0.931 132 V CB 1.218 33.001 31.823 -0.067 0.000 1.010 132 V HN 0.982 nan 8.190 nan 0.000 0.433 133 c N 3.136 121.853 118.600 0.195 0.000 2.529 133 c HA 0.507 5.078 4.570 0.001 0.000 0.329 133 c C 0.372 174.715 174.090 0.421 0.000 1.194 133 c CA -0.619 55.863 56.329 0.256 0.000 1.779 133 c CB 1.207 43.806 42.510 0.149 0.000 2.322 133 c HN 1.017 nan 8.230 nan 0.000 0.500 134 N N 2.129 121.038 118.700 0.347 0.000 2.438 134 N HA 0.045 4.786 4.740 0.001 0.000 0.267 134 N C -1.647 173.891 175.510 0.047 0.000 1.222 134 N CA -0.684 52.441 53.050 0.125 0.000 0.930 134 N CB 1.157 39.585 38.487 -0.099 0.000 1.083 134 N HN 0.363 nan 8.380 nan 0.000 0.476 135 P HA -0.134 nan 4.420 nan 0.000 0.216 135 P C -0.208 177.077 177.300 -0.024 0.000 1.150 135 P CA 1.411 64.532 63.100 0.035 0.000 0.843 135 P CB 0.098 31.825 31.700 0.046 0.000 0.787 136 D N -2.729 117.616 120.400 -0.090 0.000 2.738 136 D HA 0.157 4.798 4.640 0.001 0.000 0.246 136 D C -0.104 176.153 176.300 -0.072 0.000 1.270 136 D CA -0.493 53.463 54.000 -0.073 0.000 0.833 136 D CB -1.098 39.653 40.800 -0.081 0.000 1.040 136 D HN -0.016 nan 8.370 nan 0.000 0.487 137 N N 0.005 118.674 118.700 -0.052 0.000 2.968 137 N HA 0.137 4.878 4.740 0.001 0.000 0.192 137 N C -2.445 173.070 175.510 0.008 0.000 1.357 137 N CA -0.919 52.114 53.050 -0.029 0.000 1.069 137 N CB 0.757 39.214 38.487 -0.049 0.000 1.596 137 N HN -0.188 nan 8.380 nan 0.000 0.588 138 P HA -0.156 nan 4.420 nan 0.000 0.229 138 P C 1.079 178.406 177.300 0.045 0.000 1.150 138 P CA 1.036 64.161 63.100 0.042 0.000 0.765 138 P CB 0.173 31.893 31.700 0.032 0.000 0.783 139 Q N -0.159 119.662 119.800 0.034 0.000 2.172 139 Q HA -0.076 4.265 4.340 0.001 0.000 0.200 139 Q C 0.870 176.898 176.000 0.046 0.000 0.964 139 Q CA 0.917 56.740 55.803 0.034 0.000 0.855 139 Q CB -0.315 28.437 28.738 0.024 0.000 0.918 139 Q HN 0.194 nan 8.270 nan 0.000 0.444 140 E N 0.660 120.893 120.200 0.056 0.000 2.092 140 E HA 0.300 4.650 4.350 0.001 0.000 0.271 140 E C -1.400 175.269 176.600 0.115 0.000 0.919 140 E CA -0.788 55.656 56.400 0.073 0.000 0.760 140 E CB 0.968 30.706 29.700 0.063 0.000 1.106 140 E HN 0.353 nan 8.360 nan 0.000 0.408 141 c N 4.280 122.944 118.600 0.108 0.000 2.358 141 c HA 0.618 5.189 4.570 0.001 0.000 0.354 141 c C -0.110 174.050 174.090 0.117 0.000 1.183 141 c CA -0.770 55.636 56.329 0.129 0.000 2.150 141 c CB 0.194 42.762 42.510 0.097 0.000 2.361 141 c HN 0.671 nan 8.230 nan 0.000 0.535 142 L N 1.764 123.055 121.223 0.114 0.000 2.354 142 L HA 0.597 4.937 4.340 0.001 0.000 0.269 142 L C -0.707 176.190 176.870 0.045 0.000 1.005 142 L CA -0.621 54.263 54.840 0.073 0.000 0.819 142 L CB 1.190 43.291 42.059 0.070 0.000 1.311 142 L HN 0.347 nan 8.230 nan 0.000 0.423 143 L N 1.154 122.392 121.223 0.025 0.000 2.375 143 L HA 0.295 4.635 4.340 0.001 0.000 0.268 143 L C 0.716 177.524 176.870 -0.102 0.000 1.058 143 L CA -0.031 54.822 54.840 0.021 0.000 0.803 143 L CB 1.453 43.537 42.059 0.042 0.000 1.212 143 L HN 0.507 nan 8.230 nan 0.000 0.451 144 L N 1.252 122.335 121.223 -0.232 0.000 2.081 144 L HA -0.073 4.268 4.340 0.001 0.000 0.212 144 L C 0.392 177.096 176.870 -0.277 0.000 1.080 144 L CA 1.584 56.080 54.840 -0.574 0.000 0.754 144 L CB -0.214 41.229 42.059 -1.028 0.000 0.893 144 L HN 0.717 nan 8.230 nan 0.000 0.433 145 E N -1.456 118.679 120.200 -0.109 0.000 2.218 145 E HA 0.358 4.708 4.350 0.001 0.000 0.263 145 E C -2.089 174.514 176.600 0.004 0.000 0.879 145 E CA -2.183 54.200 56.400 -0.027 0.000 0.762 145 E CB 1.436 31.161 29.700 0.041 0.000 1.166 145 E HN 0.003 nan 8.360 nan 0.000 0.415 146 P HA 0.245 nan 4.420 nan 0.000 0.196 146 P C 0.831 178.108 177.300 -0.038 0.000 1.151 146 P CA 0.971 64.064 63.100 -0.012 0.000 0.857 146 P CB -0.243 31.461 31.700 0.008 0.000 0.703 147 G N -0.066 108.727 108.800 -0.011 0.000 3.282 147 G HA2 -0.409 3.552 3.960 0.001 0.000 0.367 147 G HA3 -0.409 3.552 3.960 0.001 0.000 0.367 147 G C 1.217 176.094 174.900 -0.038 0.000 1.377 147 G CA 1.278 46.375 45.100 -0.004 0.000 1.254 147 G HN 0.364 nan 8.290 nan 0.000 0.717 148 L N 1.378 122.531 121.223 -0.118 0.000 1.955 148 L HA 0.009 4.349 4.340 0.001 0.000 0.213 148 L C 2.623 179.370 176.870 -0.204 0.000 1.072 148 L CA 2.842 57.554 54.840 -0.213 0.000 0.755 148 L CB -1.211 40.614 42.059 -0.390 0.000 0.888 148 L HN 0.635 nan 8.230 nan 0.000 0.432 149 N N -1.207 117.357 118.700 -0.228 0.000 2.184 149 N HA -0.249 4.491 4.740 0.001 0.000 0.190 149 N C 1.767 177.233 175.510 -0.073 0.000 1.011 149 N CA 1.072 54.025 53.050 -0.163 0.000 0.867 149 N CB -0.022 38.404 38.487 -0.102 0.000 0.993 149 N HN 0.348 nan 8.380 nan 0.000 0.433 150 E N 0.932 121.105 120.200 -0.046 0.000 2.152 150 E HA -0.094 4.256 4.350 0.001 0.000 0.192 150 E C 1.941 178.546 176.600 0.008 0.000 0.983 150 E CA 0.558 56.955 56.400 -0.006 0.000 0.818 150 E CB 0.058 29.763 29.700 0.007 0.000 0.758 150 E HN 0.428 nan 8.360 nan 0.000 0.467 151 I N 0.636 121.208 120.570 0.004 0.000 2.142 151 I HA -0.282 3.888 4.170 0.001 0.000 0.240 151 I C 2.269 178.395 176.117 0.015 0.000 1.078 151 I CA 0.856 62.175 61.300 0.032 0.000 1.343 151 I CB -0.230 37.805 38.000 0.059 0.000 1.046 151 I HN 0.109 nan 8.210 nan 0.000 0.405 152 M N 0.111 119.694 119.600 -0.028 0.000 2.629 152 M HA -0.099 4.382 4.480 0.001 0.000 0.257 152 M C 1.957 178.261 176.300 0.007 0.000 1.071 152 M CA 1.082 56.366 55.300 -0.027 0.000 1.077 152 M CB -1.278 31.265 32.600 -0.095 0.000 1.423 152 M HN 0.320 nan 8.290 nan 0.000 0.508 153 A N -0.890 121.940 122.820 0.018 0.000 2.229 153 A HA 0.148 4.469 4.320 0.001 0.000 0.211 153 A C 1.614 179.225 177.584 0.045 0.000 1.193 153 A CA 0.443 52.505 52.037 0.040 0.000 0.879 153 A CB -0.002 19.023 19.000 0.042 0.000 0.911 153 A HN 0.500 nan 8.150 nan 0.000 0.492 154 N N -1.404 117.321 118.700 0.041 0.000 2.380 154 N HA 0.083 4.823 4.740 0.001 0.000 0.227 154 N C 0.489 176.029 175.510 0.051 0.000 1.139 154 N CA 0.461 53.537 53.050 0.044 0.000 0.843 154 N CB 0.556 39.066 38.487 0.039 0.000 1.327 154 N HN 0.185 nan 8.380 nan 0.000 0.470 155 S N 1.053 116.788 115.700 0.059 0.000 2.552 155 S HA 0.053 4.523 4.470 0.001 0.000 0.289 155 S C 0.703 175.367 174.600 0.107 0.000 1.304 155 S CA -0.138 58.107 58.200 0.075 0.000 1.063 155 S CB 0.252 63.500 63.200 0.079 0.000 0.848 155 S HN 0.120 nan 8.310 nan 0.000 0.499 156 L N 3.581 124.875 121.223 0.118 0.000 2.693 156 L HA 0.369 4.710 4.340 0.001 0.000 0.235 156 L C 0.482 177.526 176.870 0.291 0.000 1.127 156 L CA 0.462 55.415 54.840 0.188 0.000 0.914 156 L CB -0.874 41.222 42.059 0.061 0.000 1.193 156 L HN 0.727 nan 8.230 nan 0.000 0.502 157 D N -1.525 118.981 120.400 0.177 0.000 2.316 157 D HA -0.026 4.615 4.640 0.001 0.000 0.245 157 D C 1.154 177.497 176.300 0.072 0.000 1.171 157 D CA -0.094 53.992 54.000 0.144 0.000 0.856 157 D CB 0.851 41.712 40.800 0.101 0.000 1.090 157 D HN 0.098 nan 8.370 nan 0.000 0.476 158 Y N 4.531 124.746 120.300 -0.143 0.000 2.114 158 Y HA -0.295 4.255 4.550 0.001 0.000 0.282 158 Y C 1.583 177.409 175.900 -0.123 0.000 1.165 158 Y CA 1.784 59.655 58.100 -0.383 0.000 1.148 158 Y CB 0.010 37.959 38.460 -0.851 0.000 0.972 158 Y HN 0.519 nan 8.280 nan 0.000 0.504 159 N N 0.081 118.842 118.700 0.101 0.000 2.135 159 N HA -0.196 4.545 4.740 0.001 0.000 0.186 159 N C 1.906 177.470 175.510 0.089 0.000 1.027 159 N CA 1.437 54.542 53.050 0.091 0.000 0.849 159 N CB -0.474 38.098 38.487 0.142 0.000 1.002 159 N HN 0.570 nan 8.380 nan 0.000 0.425 160 E N 1.656 121.919 120.200 0.105 0.000 2.058 160 E HA -0.180 4.171 4.350 0.001 0.000 0.194 160 E C 1.912 178.651 176.600 0.231 0.000 0.997 160 E CA 1.097 57.614 56.400 0.195 0.000 0.801 160 E CB 0.127 29.912 29.700 0.142 0.000 0.746 160 E HN 0.296 nan 8.360 nan 0.000 0.450 161 R N 0.006 120.560 120.500 0.090 0.000 2.075 161 R HA -0.138 4.202 4.340 0.001 0.000 0.232 161 R C 2.604 178.948 176.300 0.073 0.000 1.126 161 R CA 1.125 57.265 56.100 0.067 0.000 0.963 161 R CB -0.506 29.768 30.300 -0.043 0.000 0.858 161 R HN 0.216 nan 8.270 nan 0.000 0.435 162 L N 0.570 121.727 121.223 -0.109 0.000 2.013 162 L HA -0.198 4.143 4.340 0.001 0.000 0.212 162 L C 2.081 178.961 176.870 0.016 0.000 1.073 162 L CA 1.755 56.366 54.840 -0.382 0.000 0.753 162 L CB -0.729 41.038 42.059 -0.487 0.000 0.890 162 L HN 0.252 nan 8.230 nan 0.000 0.432 163 W N 0.565 121.834 121.300 -0.052 0.000 2.289 163 W HA -0.296 4.365 4.660 0.001 0.000 0.328 163 W C 2.427 178.986 176.519 0.065 0.000 1.241 163 W CA 2.990 60.344 57.345 0.016 0.000 1.221 163 W CB -1.248 28.220 29.460 0.013 0.000 1.175 163 W HN 0.319 nan 8.180 nan 0.000 0.457 164 A N 0.395 123.040 122.820 -0.291 0.000 1.877 164 A HA -0.364 3.956 4.320 0.001 0.000 0.218 164 A C 1.867 179.326 177.584 -0.208 0.000 1.301 164 A CA 2.629 54.377 52.037 -0.482 0.000 0.699 164 A CB -2.090 16.769 19.000 -0.235 0.000 0.844 164 A HN 0.750 nan 8.150 nan 0.000 0.464 165 W N 0.432 121.610 121.300 -0.204 0.000 2.269 165 W HA -0.357 4.303 4.660 0.001 0.000 0.336 165 W C 2.309 178.812 176.519 -0.027 0.000 1.333 165 W CA 3.310 60.589 57.345 -0.111 0.000 1.299 165 W CB -0.313 29.103 29.460 -0.073 0.000 1.126 165 W HN 0.553 nan 8.180 nan 0.000 0.474 166 E N -0.074 120.302 120.200 0.294 0.000 2.028 166 E HA -0.151 4.199 4.350 0.001 0.000 0.191 166 E C 2.199 178.808 176.600 0.014 0.000 0.988 166 E CA 2.427 58.950 56.400 0.206 0.000 0.799 166 E CB -0.838 29.023 29.700 0.268 0.000 0.755 166 E HN 0.209 nan 8.360 nan 0.000 0.447 167 S N 0.690 116.331 115.700 -0.098 0.000 2.389 167 S HA -0.232 4.239 4.470 0.001 0.000 0.229 167 S C 1.616 176.152 174.600 -0.106 0.000 1.048 167 S CA 1.440 59.545 58.200 -0.158 0.000 1.117 167 S CB -1.133 61.794 63.200 -0.454 0.000 1.020 167 S HN 0.581 nan 8.310 nan 0.000 0.430 168 W N 2.562 123.664 121.300 -0.329 0.000 2.325 168 W HA -0.163 4.497 4.660 0.001 0.000 0.299 168 W C 2.148 178.515 176.519 -0.253 0.000 1.215 168 W CA 1.513 58.674 57.345 -0.307 0.000 1.244 168 W CB -0.241 28.990 29.460 -0.382 0.000 1.140 168 W HN 0.291 nan 8.180 nan 0.000 0.523 169 R N -0.393 119.976 120.500 -0.218 0.000 2.161 169 R HA -0.087 4.253 4.340 0.001 0.000 0.213 169 R C 2.574 178.801 176.300 -0.121 0.000 1.055 169 R CA 1.370 57.322 56.100 -0.247 0.000 0.996 169 R CB -0.534 29.584 30.300 -0.304 0.000 0.901 169 R HN -0.011 nan 8.270 nan 0.000 0.456 170 S N 0.171 115.845 115.700 -0.044 0.000 2.470 170 S HA -0.019 4.451 4.470 0.001 0.000 0.225 170 S C 1.178 175.662 174.600 -0.193 0.000 1.006 170 S CA 0.629 58.805 58.200 -0.040 0.000 0.934 170 S CB 0.228 63.481 63.200 0.087 0.000 0.778 170 S HN 0.141 nan 8.310 nan 0.000 0.517 171 E N 1.214 121.279 120.200 -0.224 0.000 2.611 171 E HA 0.091 4.442 4.350 0.001 0.000 0.284 171 E C 2.414 178.815 176.600 -0.332 0.000 0.800 171 E CA 1.141 57.394 56.400 -0.246 0.000 1.264 171 E CB -1.400 28.170 29.700 -0.217 0.000 1.735 171 E HN 0.328 nan 8.360 nan 0.000 0.526 172 V N 0.498 120.114 119.914 -0.497 0.000 2.439 172 V HA -0.172 3.949 4.120 0.001 0.000 0.253 172 V C 1.909 177.740 176.094 -0.438 0.000 1.074 172 V CA 2.697 64.668 62.300 -0.548 0.000 1.076 172 V CB -1.426 29.824 31.823 -0.955 0.000 0.664 172 V HN 0.336 nan 8.190 nan 0.000 0.461 173 G N 0.198 108.729 108.800 -0.449 0.000 2.453 173 G HA2 -0.232 3.728 3.960 0.001 0.000 0.215 173 G HA3 -0.232 3.728 3.960 0.001 0.000 0.215 173 G C 1.609 176.378 174.900 -0.218 0.000 1.201 173 G CA 1.009 45.931 45.100 -0.297 0.000 0.784 173 G HN 0.558 nan 8.290 nan 0.000 0.545 174 K N 0.324 120.573 120.400 -0.252 0.000 2.063 174 K HA -0.142 4.178 4.320 0.001 0.000 0.208 174 K C 2.761 179.269 176.600 -0.153 0.000 1.048 174 K CA 1.489 57.632 56.287 -0.240 0.000 0.928 174 K CB -0.222 32.089 32.500 -0.315 0.000 0.713 174 K HN 0.438 nan 8.250 nan 0.000 0.442 175 Q N 0.557 120.264 119.800 -0.156 0.000 2.124 175 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 175 Q C 2.139 178.101 176.000 -0.063 0.000 0.977 175 Q CA 1.187 56.926 55.803 -0.107 0.000 0.850 175 Q CB -0.181 28.483 28.738 -0.122 0.000 0.901 175 Q HN 0.337 nan 8.270 nan 0.000 0.429 176 L N 0.232 121.412 121.223 -0.072 0.000 2.313 176 L HA -0.064 4.276 4.340 0.001 0.000 0.214 176 L C 2.420 179.332 176.870 0.071 0.000 1.119 176 L CA 0.157 54.989 54.840 -0.014 0.000 0.809 176 L CB -0.230 41.794 42.059 -0.058 0.000 0.933 176 L HN 0.092 nan 8.230 nan 0.000 0.449 177 R N 1.276 121.807 120.500 0.053 0.000 2.097 177 R HA -0.164 4.176 4.340 0.001 0.000 0.236 177 R C -0.585 175.834 176.300 0.198 0.000 1.135 177 R CA 2.158 58.353 56.100 0.159 0.000 0.934 177 R CB -1.749 28.606 30.300 0.092 0.000 0.846 177 R HN 0.140 nan 8.270 nan 0.000 0.431 178 P HA -0.118 nan 4.420 nan 0.000 0.214 178 P C 1.255 178.620 177.300 0.109 0.000 1.163 178 P CA 1.308 64.452 63.100 0.074 0.000 0.883 178 P CB -0.100 31.615 31.700 0.025 0.000 0.788 179 L N -2.601 118.687 121.223 0.110 0.000 2.046 179 L HA -0.182 4.158 4.340 0.001 0.000 0.208 179 L C 2.575 179.564 176.870 0.199 0.000 1.077 179 L CA 1.737 56.649 54.840 0.119 0.000 0.747 179 L CB -1.648 40.462 42.059 0.085 0.000 0.896 179 L HN -0.073 nan 8.230 nan 0.000 0.432 180 Y N 0.469 120.854 120.300 0.140 0.000 2.293 180 Y HA -0.214 4.337 4.550 0.001 0.000 0.291 180 Y C 2.490 178.643 175.900 0.422 0.000 1.137 180 Y CA 1.455 59.686 58.100 0.218 0.000 1.202 180 Y CB -0.052 38.492 38.460 0.140 0.000 0.990 180 Y HN 0.270 nan 8.280 nan 0.000 0.537 181 E N -0.252 120.212 120.200 0.441 0.000 2.051 181 E HA -0.270 4.080 4.350 0.001 0.000 0.192 181 E C 2.122 178.812 176.600 0.151 0.000 0.991 181 E CA 1.493 58.090 56.400 0.328 0.000 0.799 181 E CB -0.157 29.598 29.700 0.093 0.000 0.748 181 E HN 0.560 nan 8.360 nan 0.000 0.449 182 E N -0.058 120.198 120.200 0.094 0.000 2.107 182 E HA -0.197 4.153 4.350 0.001 0.000 0.191 182 E C 1.975 178.565 176.600 -0.016 0.000 0.982 182 E CA 0.565 56.977 56.400 0.020 0.000 0.809 182 E CB -0.115 29.593 29.700 0.013 0.000 0.756 182 E HN 0.289 nan 8.360 nan 0.000 0.459 183 Y N 0.925 121.153 120.300 -0.120 0.000 2.114 183 Y HA -0.297 4.253 4.550 0.001 0.000 0.282 183 Y C 1.952 177.685 175.900 -0.278 0.000 1.165 183 Y CA 1.900 59.868 58.100 -0.219 0.000 1.148 183 Y CB -0.428 37.870 38.460 -0.270 0.000 0.972 183 Y HN -0.102 nan 8.280 nan 0.000 0.504 184 V N -0.544 119.264 119.914 -0.177 0.000 2.343 184 V HA -0.317 3.803 4.120 0.001 0.000 0.247 184 V C 2.368 178.334 176.094 -0.213 0.000 1.051 184 V CA 1.655 63.879 62.300 -0.128 0.000 1.036 184 V CB -0.949 31.024 31.823 0.250 0.000 0.654 184 V HN 0.409 nan 8.190 nan 0.000 0.451 185 V N -0.134 119.694 119.914 -0.144 0.000 2.223 185 V HA -0.264 3.856 4.120 0.001 0.000 0.244 185 V C 2.333 178.279 176.094 -0.247 0.000 1.045 185 V CA 2.196 64.406 62.300 -0.149 0.000 1.000 185 V CB -0.630 31.133 31.823 -0.100 0.000 0.635 185 V HN 0.412 nan 8.190 nan 0.000 0.445 186 L N -0.460 120.598 121.223 -0.274 0.000 2.042 186 L HA -0.235 4.105 4.340 0.001 0.000 0.210 186 L C 2.586 179.176 176.870 -0.466 0.000 1.076 186 L CA 1.725 56.378 54.840 -0.311 0.000 0.749 186 L CB -0.549 41.352 42.059 -0.265 0.000 0.893 186 L HN 0.267 nan 8.230 nan 0.000 0.432 187 K N -0.084 119.893 120.400 -0.705 0.000 2.211 187 K HA -0.099 4.222 4.320 0.001 0.000 0.203 187 K C 1.915 178.000 176.600 -0.859 0.000 1.050 187 K CA 0.887 56.546 56.287 -1.047 0.000 0.945 187 K CB -0.039 31.431 32.500 -1.716 0.000 0.732 187 K HN 0.231 nan 8.250 nan 0.000 0.451 188 N N 0.512 118.864 118.700 -0.579 0.000 2.148 188 N HA -0.105 4.635 4.740 0.001 0.000 0.186 188 N C 1.368 176.708 175.510 -0.283 0.000 1.031 188 N CA 1.085 53.910 53.050 -0.374 0.000 0.848 188 N CB 0.016 38.372 38.487 -0.219 0.000 1.005 188 N HN 0.299 nan 8.380 nan 0.000 0.427 189 E N 0.970 121.016 120.200 -0.256 0.000 2.086 189 E HA -0.255 4.096 4.350 0.001 0.000 0.205 189 E C 1.983 178.450 176.600 -0.223 0.000 1.027 189 E CA 1.107 57.385 56.400 -0.205 0.000 0.830 189 E CB -0.180 29.408 29.700 -0.186 0.000 0.751 189 E HN 0.257 nan 8.360 nan 0.000 0.456 190 M N 0.972 120.395 119.600 -0.296 0.000 2.073 190 M HA -0.235 4.245 4.480 0.001 0.000 0.258 190 M C 2.331 178.469 176.300 -0.270 0.000 1.070 190 M CA 2.190 57.306 55.300 -0.307 0.000 1.103 190 M CB -0.638 31.702 32.600 -0.433 0.000 1.321 190 M HN 0.142 nan 8.290 nan 0.000 0.405 191 A N 0.356 122.985 122.820 -0.318 0.000 1.883 191 A HA -0.212 4.108 4.320 0.001 0.000 0.217 191 A C 2.201 179.813 177.584 0.047 0.000 1.186 191 A CA 1.991 53.943 52.037 -0.142 0.000 0.624 191 A CB -0.703 18.208 19.000 -0.149 0.000 0.822 191 A HN 0.648 nan 8.150 nan 0.000 0.444 192 R N -0.786 119.677 120.500 -0.061 0.000 2.092 192 R HA -0.005 4.335 4.340 0.001 0.000 0.231 192 R C 2.430 178.628 176.300 -0.170 0.000 1.119 192 R CA 1.014 57.069 56.100 -0.076 0.000 0.970 192 R CB -0.419 29.825 30.300 -0.093 0.000 0.864 192 R HN 0.511 nan 8.270 nan 0.000 0.440 193 A N 1.361 124.078 122.820 -0.173 0.000 2.019 193 A HA -0.154 4.166 4.320 0.001 0.000 0.219 193 A C 1.238 178.679 177.584 -0.239 0.000 1.164 193 A CA 1.485 53.392 52.037 -0.217 0.000 0.644 193 A CB -0.310 18.598 19.000 -0.154 0.000 0.805 193 A HN 0.293 nan 8.150 nan 0.000 0.449 194 N N -1.072 117.571 118.700 -0.095 0.000 2.314 194 N HA 0.235 4.976 4.740 0.001 0.000 0.200 194 N C -0.690 174.776 175.510 -0.074 0.000 1.135 194 N CA 0.194 53.266 53.050 0.037 0.000 0.835 194 N CB -0.037 38.599 38.487 0.249 0.000 0.989 194 N HN 0.602 nan 8.380 nan 0.000 0.478 195 H N -2.546 116.402 119.070 -0.204 0.000 2.984 195 H HA -0.177 4.379 4.556 0.001 0.000 0.297 195 H C -1.169 173.915 175.328 -0.406 0.000 1.295 195 H CA 0.421 56.304 56.048 -0.276 0.000 1.158 195 H CB -2.377 27.223 29.762 -0.271 0.000 1.361 195 H HN 0.241 nan 8.280 nan 0.000 0.416 196 Y N -0.702 119.646 120.300 0.081 0.000 2.562 196 Y HA 0.308 4.858 4.550 0.001 0.000 0.343 196 Y C 1.709 177.622 175.900 0.022 0.000 1.025 196 Y CA -1.052 57.095 58.100 0.077 0.000 1.082 196 Y CB 1.045 39.582 38.460 0.129 0.000 1.264 196 Y HN 0.119 nan 8.280 nan 0.000 0.478 197 E N 0.837 121.158 120.200 0.203 0.000 2.077 197 E HA -0.090 4.260 4.350 0.001 0.000 0.193 197 E C -0.495 176.147 176.600 0.071 0.000 0.989 197 E CA 1.586 58.044 56.400 0.096 0.000 0.800 197 E CB 0.126 29.869 29.700 0.071 0.000 0.746 197 E HN 0.736 nan 8.360 nan 0.000 0.452 198 D N -2.608 117.841 120.400 0.082 0.000 2.725 198 D HA -0.076 4.565 4.640 0.001 0.000 0.292 198 D C 0.148 176.434 176.300 -0.024 0.000 1.288 198 D CA -0.634 53.380 54.000 0.025 0.000 0.784 198 D CB 0.064 40.904 40.800 0.065 0.000 1.308 198 D HN -0.184 nan 8.370 nan 0.000 0.429 199 Y N 1.071 121.133 120.300 -0.396 0.000 2.256 199 Y HA -0.035 4.515 4.550 0.001 0.000 0.288 199 Y C 2.259 177.852 175.900 -0.511 0.000 1.155 199 Y CA 2.433 60.114 58.100 -0.698 0.000 1.203 199 Y CB -0.736 36.909 38.460 -1.357 0.000 0.980 199 Y HN 0.629 nan 8.280 nan 0.000 0.530 200 G N -0.291 108.406 108.800 -0.172 0.000 2.480 200 G HA2 -0.383 3.578 3.960 0.001 0.000 0.216 200 G HA3 -0.383 3.578 3.960 0.001 0.000 0.216 200 G C 1.470 176.317 174.900 -0.089 0.000 1.200 200 G CA 1.197 46.323 45.100 0.043 0.000 0.782 200 G HN 0.434 nan 8.290 nan 0.000 0.554 201 D N -0.906 119.441 120.400 -0.089 0.000 2.149 201 D HA -0.214 4.426 4.640 0.001 0.000 0.194 201 D C 1.969 178.152 176.300 -0.195 0.000 1.001 201 D CA 1.170 55.125 54.000 -0.074 0.000 0.849 201 D CB -0.296 40.544 40.800 0.066 0.000 0.939 201 D HN 0.336 nan 8.370 nan 0.000 0.449 202 Y N 0.016 120.015 120.300 -0.503 0.000 2.014 202 Y HA -0.275 4.276 4.550 0.001 0.000 0.270 202 Y C 2.052 177.744 175.900 -0.345 0.000 1.145 202 Y CA 2.167 59.779 58.100 -0.813 0.000 1.106 202 Y CB -0.763 37.375 38.460 -0.536 0.000 0.968 202 Y HN 0.093 nan 8.280 nan 0.000 0.484 203 W N 0.874 122.021 121.300 -0.256 0.000 2.301 203 W HA -0.256 4.405 4.660 0.001 0.000 0.325 203 W C 2.603 179.074 176.519 -0.079 0.000 1.250 203 W CA 2.178 59.416 57.345 -0.177 0.000 1.261 203 W CB -1.370 28.067 29.460 -0.038 0.000 1.157 203 W HN 0.158 nan 8.180 nan 0.000 0.473 204 R N -0.286 120.353 120.500 0.232 0.000 2.226 204 R HA -0.171 4.169 4.340 0.001 0.000 0.246 204 R C 2.319 178.734 176.300 0.190 0.000 1.161 204 R CA 1.159 57.382 56.100 0.205 0.000 0.997 204 R CB -1.159 29.118 30.300 -0.039 0.000 0.870 204 R HN 0.286 nan 8.270 nan 0.000 0.465 205 G N 1.420 110.230 108.800 0.016 0.000 2.491 205 G HA2 -0.390 3.571 3.960 0.001 0.000 0.218 205 G HA3 -0.390 3.571 3.960 0.001 0.000 0.218 205 G C 0.905 175.814 174.900 0.016 0.000 1.180 205 G CA 1.287 46.382 45.100 -0.008 0.000 0.774 205 G HN 0.366 nan 8.290 nan 0.000 0.562 206 D N -0.574 119.769 120.400 -0.094 0.000 2.286 206 D HA -0.223 4.417 4.640 0.001 0.000 0.195 206 D C 1.756 177.872 176.300 -0.308 0.000 1.012 206 D CA 1.209 55.064 54.000 -0.241 0.000 0.901 206 D CB -0.193 40.375 40.800 -0.386 0.000 0.903 206 D HN 0.551 nan 8.370 nan 0.000 0.451 207 Y N 0.022 120.350 120.300 0.046 0.000 2.490 207 Y HA 0.206 4.756 4.550 0.001 0.000 0.281 207 Y C 0.739 176.880 175.900 0.401 0.000 1.174 207 Y CA -0.091 58.056 58.100 0.078 0.000 1.295 207 Y CB -0.078 38.401 38.460 0.030 0.000 1.062 207 Y HN -0.008 nan 8.280 nan 0.000 0.522 208 E N 0.847 121.292 120.200 0.408 0.000 2.366 208 E HA 0.365 4.715 4.350 0.001 0.000 0.266 208 E C -1.202 175.603 176.600 0.342 0.000 1.051 208 E CA -0.201 56.439 56.400 0.400 0.000 0.884 208 E CB 0.817 30.672 29.700 0.259 0.000 1.006 208 E HN -0.108 nan 8.360 nan 0.000 0.417 209 V N 5.132 125.235 119.914 0.316 0.000 2.524 209 V HA 0.269 4.389 4.120 0.001 0.000 0.297 209 V C -0.969 175.212 176.094 0.144 0.000 1.035 209 V CA -1.036 61.385 62.300 0.203 0.000 0.867 209 V CB 1.721 33.647 31.823 0.172 0.000 1.004 209 V HN 0.694 nan 8.190 nan 0.000 0.426 210 N N 3.691 122.450 118.700 0.099 0.000 2.417 210 N HA 0.589 5.330 4.740 0.001 0.000 0.274 210 N C 0.369 175.909 175.510 0.050 0.000 0.987 210 N CA 0.138 53.230 53.050 0.070 0.000 0.912 210 N CB 2.140 40.661 38.487 0.056 0.000 1.177 210 N HN 1.126 nan 8.380 nan 0.000 0.490 211 G N 0.529 109.358 108.800 0.047 0.000 3.429 211 G HA2 -0.051 3.909 3.960 0.001 0.000 0.605 211 G HA3 -0.051 3.909 3.960 0.001 0.000 0.605 211 G C 0.353 175.273 174.900 0.034 0.000 0.973 211 G CA 0.023 45.144 45.100 0.035 0.000 0.774 211 G HN 1.033 nan 8.290 nan 0.000 0.422 212 V N -2.755 117.188 119.914 0.047 0.000 4.124 212 V HA 0.152 4.273 4.120 0.001 0.000 0.380 212 V C 0.126 176.291 176.094 0.119 0.000 1.943 212 V CA 0.880 63.211 62.300 0.052 0.000 1.672 212 V CB -1.104 30.734 31.823 0.026 0.000 0.986 212 V HN 1.917 nan 8.190 nan 0.000 0.330 213 D N 1.045 121.516 120.400 0.118 0.000 9.024 213 D HA 0.209 4.849 4.640 0.001 0.000 0.279 213 D C 1.244 177.626 176.300 0.137 0.000 2.512 213 D CA 2.430 56.492 54.000 0.103 0.000 2.322 213 D CB -1.121 39.722 40.800 0.072 0.000 0.967 213 D HN 1.891 nan 8.370 nan 0.000 0.684 214 G N 1.602 110.420 108.800 0.030 0.000 2.304 214 G HA2 -0.421 3.539 3.960 0.001 0.000 0.252 214 G HA3 -0.421 3.539 3.960 0.001 0.000 0.252 214 G C 0.663 175.387 174.900 -0.294 0.000 1.014 214 G CA 0.688 45.712 45.100 -0.127 0.000 0.619 214 G HN 0.523 nan 8.290 nan 0.000 0.525 215 Y N 1.585 121.860 120.300 -0.041 0.000 2.467 215 Y HA 0.388 4.939 4.550 0.001 0.000 0.250 215 Y C 1.143 177.006 175.900 -0.063 0.000 1.155 215 Y CA -0.422 57.623 58.100 -0.091 0.000 1.249 215 Y CB 0.349 38.745 38.460 -0.106 0.000 1.146 215 Y HN 0.204 nan 8.280 nan 0.000 0.524 216 D N -0.060 120.412 120.400 0.119 0.000 2.368 216 D HA 0.128 4.769 4.640 0.001 0.000 0.240 216 D C -1.084 175.330 176.300 0.190 0.000 1.169 216 D CA 0.873 54.948 54.000 0.126 0.000 0.906 216 D CB 0.558 41.410 40.800 0.087 0.000 1.187 216 D HN 0.094 nan 8.370 nan 0.000 0.435 217 Y N -0.080 120.267 120.300 0.078 0.000 2.480 217 Y HA 0.320 4.871 4.550 0.001 0.000 0.329 217 Y C -0.894 175.109 175.900 0.172 0.000 1.127 217 Y CA -0.680 57.507 58.100 0.144 0.000 1.037 217 Y CB 1.295 39.909 38.460 0.258 0.000 1.320 217 Y HN 0.477 nan 8.280 nan 0.000 0.446 218 S N 3.909 119.556 115.700 -0.088 0.000 2.664 218 S HA 0.567 5.037 4.470 0.001 0.000 0.304 218 S C 0.494 175.138 174.600 0.073 0.000 1.099 218 S CA -0.935 57.279 58.200 0.024 0.000 1.003 218 S CB 2.277 65.452 63.200 -0.042 0.000 1.092 218 S HN 0.848 nan 8.310 nan 0.000 0.525 219 R N 0.379 120.946 120.500 0.112 0.000 2.148 219 R HA 0.012 4.353 4.340 0.001 0.000 0.227 219 R C 2.207 178.504 176.300 -0.006 0.000 1.103 219 R CA 1.242 57.404 56.100 0.103 0.000 0.983 219 R CB -0.795 29.562 30.300 0.096 0.000 0.874 219 R HN 0.852 nan 8.270 nan 0.000 0.451 220 G N 0.348 109.126 108.800 -0.036 0.000 2.396 220 G HA2 -0.223 3.737 3.960 0.001 0.000 0.214 220 G HA3 -0.223 3.737 3.960 0.001 0.000 0.214 220 G C 1.304 176.154 174.900 -0.084 0.000 1.166 220 G CA -0.081 44.977 45.100 -0.070 0.000 0.793 220 G HN 0.136 nan 8.290 nan 0.000 0.533 221 Q N -0.242 119.465 119.800 -0.155 0.000 2.268 221 Q HA -0.138 4.203 4.340 0.001 0.000 0.210 221 Q C 2.493 178.435 176.000 -0.097 0.000 0.988 221 Q CA 0.995 56.638 55.803 -0.267 0.000 0.883 221 Q CB -0.313 27.987 28.738 -0.730 0.000 0.911 221 Q HN 0.485 nan 8.270 nan 0.000 0.430 222 L N 0.264 121.517 121.223 0.051 0.000 1.976 222 L HA -0.182 4.158 4.340 0.001 0.000 0.209 222 L C 2.173 179.103 176.870 0.100 0.000 1.071 222 L CA 1.582 56.529 54.840 0.178 0.000 0.746 222 L CB -0.590 41.539 42.059 0.118 0.000 0.890 222 L HN 0.151 nan 8.230 nan 0.000 0.432 223 I N -0.458 120.126 120.570 0.024 0.000 2.151 223 I HA -0.351 3.819 4.170 0.001 0.000 0.243 223 I C 2.542 178.738 176.117 0.130 0.000 1.080 223 I CA 1.858 63.229 61.300 0.119 0.000 1.339 223 I CB -0.597 37.419 38.000 0.028 0.000 1.039 223 I HN 0.447 nan 8.210 nan 0.000 0.409 224 E N 1.112 121.356 120.200 0.074 0.000 2.033 224 E HA -0.292 4.058 4.350 0.001 0.000 0.199 224 E C 1.818 178.485 176.600 0.112 0.000 1.011 224 E CA 1.963 58.408 56.400 0.076 0.000 0.815 224 E CB 0.019 29.730 29.700 0.019 0.000 0.755 224 E HN 0.421 nan 8.360 nan 0.000 0.451 225 D N -0.290 120.182 120.400 0.119 0.000 2.144 225 D HA -0.130 4.510 4.640 0.001 0.000 0.199 225 D C 2.074 178.473 176.300 0.166 0.000 0.984 225 D CA 0.837 54.939 54.000 0.171 0.000 0.834 225 D CB -0.063 40.899 40.800 0.270 0.000 0.955 225 D HN 0.113 nan 8.370 nan 0.000 0.465 226 V N 1.463 121.434 119.914 0.094 0.000 2.261 226 V HA -0.225 3.895 4.120 0.001 0.000 0.246 226 V C 2.321 178.380 176.094 -0.058 0.000 1.047 226 V CA 1.699 63.960 62.300 -0.066 0.000 1.015 226 V CB -0.413 31.341 31.823 -0.115 0.000 0.642 226 V HN 0.186 nan 8.190 nan 0.000 0.446 227 E N -0.881 119.334 120.200 0.025 0.000 2.106 227 E HA -0.230 4.120 4.350 0.001 0.000 0.192 227 E C 2.232 178.900 176.600 0.114 0.000 0.984 227 E CA 1.167 57.574 56.400 0.012 0.000 0.806 227 E CB -0.269 29.497 29.700 0.111 0.000 0.750 227 E HN 0.683 nan 8.360 nan 0.000 0.458 228 H N 0.439 119.548 119.070 0.065 0.000 2.389 228 H HA -0.061 4.495 4.556 0.001 0.000 0.299 228 H C 2.096 177.470 175.328 0.077 0.000 1.081 228 H CA 1.693 57.782 56.048 0.068 0.000 1.345 228 H CB 0.245 30.048 29.762 0.068 0.000 1.393 228 H HN 0.073 nan 8.280 nan 0.000 0.520 229 T N -0.164 114.528 114.554 0.230 0.000 2.942 229 T HA -0.116 4.234 4.350 0.001 0.000 0.265 229 T C 1.701 176.497 174.700 0.159 0.000 1.062 229 T CA 0.787 63.007 62.100 0.200 0.000 1.139 229 T CB -0.514 68.528 68.868 0.289 0.000 0.883 229 T HN 0.276 nan 8.240 nan 0.000 0.468 230 F N 2.126 122.077 119.950 0.002 0.000 2.146 230 F HA 0.065 4.592 4.527 0.001 0.000 0.298 230 F C 2.266 178.005 175.800 -0.101 0.000 1.096 230 F CA 1.224 59.190 58.000 -0.057 0.000 1.275 230 F CB -0.389 38.421 39.000 -0.318 0.000 1.008 230 F HN 0.054 nan 8.300 nan 0.000 0.480 231 E N 0.875 120.973 120.200 -0.171 0.000 2.068 231 E HA -0.299 4.051 4.350 0.001 0.000 0.207 231 E C 2.007 178.441 176.600 -0.276 0.000 1.032 231 E CA 2.003 58.254 56.400 -0.249 0.000 0.839 231 E CB -0.728 28.867 29.700 -0.175 0.000 0.758 231 E HN 0.576 nan 8.360 nan 0.000 0.457 232 E N -0.255 119.807 120.200 -0.230 0.000 2.510 232 E HA -0.105 4.245 4.350 0.001 0.000 0.202 232 E C 1.732 178.210 176.600 -0.203 0.000 1.072 232 E CA 0.114 56.400 56.400 -0.190 0.000 0.883 232 E CB -0.044 29.569 29.700 -0.144 0.000 0.818 232 E HN 0.330 nan 8.360 nan 0.000 0.548 233 I N -0.109 120.296 120.570 -0.274 0.000 3.526 233 I HA -0.101 4.069 4.170 0.001 0.000 0.294 233 I C 1.770 177.732 176.117 -0.258 0.000 1.229 233 I CA 0.114 61.254 61.300 -0.266 0.000 1.408 233 I CB 0.051 37.906 38.000 -0.242 0.000 1.127 233 I HN -0.020 nan 8.210 nan 0.000 0.439 234 K N 1.651 121.834 120.400 -0.361 0.000 2.034 234 K HA -0.203 4.118 4.320 0.001 0.000 0.214 234 K C -0.563 176.031 176.600 -0.009 0.000 1.051 234 K CA 1.768 57.939 56.287 -0.193 0.000 0.931 234 K CB -1.809 30.550 32.500 -0.234 0.000 0.715 234 K HN 0.241 nan 8.250 nan 0.000 0.446 235 P HA -0.209 nan 4.420 nan 0.000 0.215 235 P C 1.512 178.992 177.300 0.299 0.000 1.163 235 P CA 1.005 64.184 63.100 0.133 0.000 0.894 235 P CB -0.005 31.760 31.700 0.107 0.000 0.791 236 L N -1.520 119.730 121.223 0.046 0.000 2.012 236 L HA -0.195 4.145 4.340 0.001 0.000 0.210 236 L C 2.381 179.389 176.870 0.230 0.000 1.073 236 L CA 1.874 56.771 54.840 0.095 0.000 0.748 236 L CB -1.729 40.214 42.059 -0.193 0.000 0.891 236 L HN -0.063 nan 8.230 nan 0.000 0.431 237 Y N 0.613 120.936 120.300 0.037 0.000 2.224 237 Y HA -0.197 4.353 4.550 0.001 0.000 0.289 237 Y C 2.399 178.438 175.900 0.231 0.000 1.146 237 Y CA 2.078 60.226 58.100 0.080 0.000 1.182 237 Y CB -0.234 38.247 38.460 0.036 0.000 0.983 237 Y HN 0.414 nan 8.280 nan 0.000 0.524 238 E N -1.193 119.069 120.200 0.103 0.000 2.110 238 E HA -0.233 4.118 4.350 0.001 0.000 0.193 238 E C 2.018 178.594 176.600 -0.041 0.000 0.988 238 E CA 1.175 57.566 56.400 -0.014 0.000 0.804 238 E CB -0.267 29.331 29.700 -0.171 0.000 0.745 238 E HN 0.632 nan 8.360 nan 0.000 0.458 239 H N 0.278 119.408 119.070 0.100 0.000 2.395 239 H HA -0.043 4.513 4.556 0.001 0.000 0.299 239 H C 2.254 177.664 175.328 0.136 0.000 1.070 239 H CA 0.699 56.804 56.048 0.095 0.000 1.356 239 H CB 0.028 29.850 29.762 0.100 0.000 1.401 239 H HN 0.154 nan 8.280 nan 0.000 0.524 240 L N 0.814 122.181 121.223 0.240 0.000 2.056 240 L HA -0.187 4.153 4.340 0.001 0.000 0.207 240 L C 2.456 179.494 176.870 0.280 0.000 1.078 240 L CA 1.614 56.603 54.840 0.250 0.000 0.749 240 L CB -0.771 41.380 42.059 0.154 0.000 0.901 240 L HN 0.362 nan 8.230 nan 0.000 0.433 241 H N 0.274 119.359 119.070 0.025 0.000 2.290 241 H HA -0.194 4.362 4.556 0.001 0.000 0.298 241 H C 1.983 177.371 175.328 0.100 0.000 1.087 241 H CA 2.066 58.158 56.048 0.074 0.000 1.291 241 H CB 0.232 29.958 29.762 -0.060 0.000 1.369 241 H HN 0.435 nan 8.280 nan 0.000 0.492 242 A N 0.387 123.326 122.820 0.198 0.000 1.908 242 A HA -0.237 4.083 4.320 0.001 0.000 0.218 242 A C 2.419 180.041 177.584 0.063 0.000 1.181 242 A CA 1.652 53.753 52.037 0.108 0.000 0.627 242 A CB -1.278 17.737 19.000 0.026 0.000 0.818 242 A HN 0.668 nan 8.150 nan 0.000 0.445 243 Y N 0.951 121.249 120.300 -0.002 0.000 2.133 243 Y HA -0.176 4.375 4.550 0.001 0.000 0.287 243 Y C 2.516 178.390 175.900 -0.043 0.000 1.134 243 Y CA 2.311 60.395 58.100 -0.026 0.000 1.133 243 Y CB -0.579 37.891 38.460 0.017 0.000 0.987 243 Y HN 0.221 nan 8.280 nan 0.000 0.502 244 V N 0.506 120.354 119.914 -0.109 0.000 2.490 244 V HA -0.237 3.883 4.120 0.001 0.000 0.250 244 V C 2.415 178.305 176.094 -0.339 0.000 1.061 244 V CA 2.266 64.394 62.300 -0.286 0.000 1.064 244 V CB -1.005 30.722 31.823 -0.160 0.000 0.670 244 V HN 0.473 nan 8.190 nan 0.000 0.461 245 R N 0.911 121.226 120.500 -0.308 0.000 2.082 245 R HA -0.124 4.216 4.340 0.001 0.000 0.234 245 R C 2.399 178.574 176.300 -0.208 0.000 1.136 245 R CA 2.207 58.143 56.100 -0.274 0.000 0.935 245 R CB -0.922 29.253 30.300 -0.209 0.000 0.842 245 R HN 0.585 nan 8.270 nan 0.000 0.430 246 A N 1.246 123.953 122.820 -0.187 0.000 1.908 246 A HA -0.170 4.151 4.320 0.001 0.000 0.218 246 A C 2.013 179.467 177.584 -0.217 0.000 1.181 246 A CA 1.595 53.532 52.037 -0.167 0.000 0.627 246 A CB -0.452 18.467 19.000 -0.136 0.000 0.818 246 A HN 0.248 nan 8.150 nan 0.000 0.445 247 K N -0.305 119.898 120.400 -0.329 0.000 2.103 247 K HA -0.065 4.255 4.320 0.001 0.000 0.207 247 K C 1.872 178.319 176.600 -0.256 0.000 1.048 247 K CA 1.187 57.271 56.287 -0.338 0.000 0.930 247 K CB -0.621 31.583 32.500 -0.492 0.000 0.716 247 K HN 0.570 nan 8.250 nan 0.000 0.444 248 L N 0.270 121.353 121.223 -0.233 0.000 2.141 248 L HA -0.079 4.261 4.340 0.001 0.000 0.209 248 L C 2.535 179.347 176.870 -0.096 0.000 1.094 248 L CA 0.709 55.450 54.840 -0.164 0.000 0.763 248 L CB -0.287 41.697 42.059 -0.125 0.000 0.908 248 L HN 0.176 nan 8.230 nan 0.000 0.437 249 M N -0.581 118.960 119.600 -0.099 0.000 2.202 249 M HA -0.240 4.241 4.480 0.001 0.000 0.262 249 M C 1.684 177.944 176.300 -0.066 0.000 1.063 249 M CA 1.788 57.054 55.300 -0.057 0.000 1.097 249 M CB -0.550 32.001 32.600 -0.081 0.000 1.382 249 M HN 0.389 nan 8.290 nan 0.000 0.413 250 N N -0.146 118.484 118.700 -0.117 0.000 2.409 250 N HA 0.006 4.746 4.740 0.001 0.000 0.179 250 N C 1.634 177.046 175.510 -0.163 0.000 1.032 250 N CA 0.675 53.654 53.050 -0.120 0.000 0.898 250 N CB 0.092 38.502 38.487 -0.128 0.000 0.971 250 N HN 0.289 nan 8.380 nan 0.000 0.441 251 A N 0.618 123.281 122.820 -0.262 0.000 1.903 251 A HA 0.003 4.323 4.320 0.001 0.000 0.213 251 A C 0.170 177.447 177.584 -0.512 0.000 1.185 251 A CA 0.894 52.636 52.037 -0.491 0.000 0.628 251 A CB -0.126 18.404 19.000 -0.783 0.000 0.830 251 A HN 0.243 nan 8.150 nan 0.000 0.446 252 Y N -0.052 120.253 120.300 0.008 0.000 2.638 252 Y HA 0.377 4.928 4.550 0.001 0.000 0.367 252 Y C -2.738 173.257 175.900 0.158 0.000 1.001 252 Y CA -3.680 54.480 58.100 0.099 0.000 1.133 252 Y CB -0.284 38.213 38.460 0.063 0.000 1.199 252 Y HN 0.129 nan 8.280 nan 0.000 0.642 253 P HA -0.055 nan 4.420 nan 0.000 0.265 253 P C 0.938 178.267 177.300 0.048 0.000 1.187 253 P CA 1.728 64.873 63.100 0.075 0.000 0.766 253 P CB 1.088 32.801 31.700 0.021 0.000 0.820 254 S N 1.303 116.984 115.700 -0.031 0.000 1.736 254 S HA -0.318 4.152 4.470 0.001 0.000 0.241 254 S C 1.200 175.704 174.600 -0.159 0.000 0.922 254 S CA 1.166 59.277 58.200 -0.149 0.000 1.380 254 S CB -2.773 60.249 63.200 -0.297 0.000 1.705 254 S HN 0.351 nan 8.310 nan 0.000 0.532 255 Y N 2.265 122.530 120.300 -0.058 0.000 2.561 255 Y HA 0.549 5.100 4.550 0.001 0.000 0.291 255 Y C 1.251 177.224 175.900 0.121 0.000 1.141 255 Y CA 0.686 58.740 58.100 -0.077 0.000 1.303 255 Y CB 0.119 38.380 38.460 -0.330 0.000 1.015 255 Y HN 0.457 nan 8.280 nan 0.000 0.547 256 I N -1.034 119.637 120.570 0.169 0.000 2.509 256 I HA 0.223 4.393 4.170 0.001 0.000 0.293 256 I C -0.140 175.806 176.117 -0.285 0.000 1.020 256 I CA -0.980 60.322 61.300 0.004 0.000 1.088 256 I CB 1.913 39.910 38.000 -0.005 0.000 1.267 256 I HN -0.286 nan 8.210 nan 0.000 0.430 257 S N 5.855 121.058 115.700 -0.829 0.000 2.513 257 S HA 0.378 4.848 4.470 0.001 0.000 0.276 257 S C -1.805 172.494 174.600 -0.502 0.000 1.254 257 S CA -1.350 56.325 58.200 -0.875 0.000 1.053 257 S CB 1.068 63.207 63.200 -1.769 0.000 0.958 257 S HN 0.362 nan 8.310 nan 0.000 0.491 258 P HA 0.023 nan 4.420 nan 0.000 0.228 258 P C 0.736 177.999 177.300 -0.062 0.000 1.151 258 P CA 0.785 63.794 63.100 -0.151 0.000 0.770 258 P CB -0.149 31.473 31.700 -0.130 0.000 0.786 259 I N -6.880 113.577 120.570 -0.190 0.000 4.240 259 I HA 0.445 4.615 4.170 0.001 0.000 0.331 259 I C 0.784 176.931 176.117 0.051 0.000 1.381 259 I CA -0.351 60.879 61.300 -0.116 0.000 1.136 259 I CB 0.435 38.104 38.000 -0.552 0.000 1.137 259 I HN -0.292 nan 8.210 nan 0.000 0.411 260 G N 0.632 109.341 108.800 -0.152 0.000 2.491 260 G HA2 0.474 4.435 3.960 0.001 0.000 0.327 260 G HA3 0.474 4.435 3.960 0.001 0.000 0.327 260 G C -0.342 174.647 174.900 0.148 0.000 1.189 260 G CA -0.428 44.641 45.100 -0.050 0.000 0.956 260 G HN 0.284 nan 8.290 nan 0.000 0.491 261 C N -0.936 118.533 119.300 0.283 0.000 2.705 261 C HA 0.292 4.753 4.460 0.001 0.000 0.348 261 C C 0.759 175.858 174.990 0.183 0.000 1.386 261 C CA -0.414 58.719 59.018 0.192 0.000 2.361 261 C CB -0.422 27.371 27.740 0.088 0.000 2.486 261 C HN 0.427 nan 8.230 nan 0.000 0.728 262 L N 2.343 123.627 121.223 0.101 0.000 2.275 262 L HA 0.285 4.626 4.340 0.001 0.000 0.288 262 L C -2.225 174.650 176.870 0.007 0.000 1.046 262 L CA -1.444 53.395 54.840 -0.003 0.000 0.805 262 L CB 0.680 42.638 42.059 -0.169 0.000 1.193 262 L HN 0.356 nan 8.230 nan 0.000 0.426 263 P HA -0.050 nan 4.420 nan 0.000 0.257 263 P C 0.422 177.591 177.300 -0.218 0.000 1.189 263 P CA 0.192 63.248 63.100 -0.074 0.000 0.780 263 P CB 0.900 32.566 31.700 -0.057 0.000 0.772 264 A N 4.521 127.229 122.820 -0.186 0.000 2.084 264 A HA -0.225 4.095 4.320 0.001 0.000 0.221 264 A C 1.627 179.030 177.584 -0.302 0.000 1.161 264 A CA 1.573 53.532 52.037 -0.130 0.000 0.653 264 A CB -1.206 17.846 19.000 0.087 0.000 0.802 264 A HN 0.709 nan 8.150 nan 0.000 0.457 265 H N -1.405 117.216 119.070 -0.748 0.000 2.539 265 H HA 0.278 4.835 4.556 0.001 0.000 0.267 265 H C 0.901 176.012 175.328 -0.363 0.000 0.982 265 H CA 0.428 56.103 56.048 -0.621 0.000 1.146 265 H CB -0.433 28.877 29.762 -0.754 0.000 1.382 265 H HN 0.463 nan 8.280 nan 0.000 0.577 266 L N 0.939 121.769 121.223 -0.654 0.000 2.769 266 L HA 0.226 4.567 4.340 0.001 0.000 0.240 266 L C 1.330 178.042 176.870 -0.264 0.000 1.163 266 L CA -0.020 54.493 54.840 -0.546 0.000 0.962 266 L CB 0.355 42.017 42.059 -0.660 0.000 1.258 266 L HN 0.126 nan 8.230 nan 0.000 0.513 267 L N -0.340 120.760 121.223 -0.204 0.000 2.592 267 L HA 0.270 4.610 4.340 0.001 0.000 0.227 267 L C 1.568 178.400 176.870 -0.062 0.000 1.127 267 L CA 0.756 55.468 54.840 -0.213 0.000 0.884 267 L CB 0.148 42.125 42.059 -0.136 0.000 1.065 267 L HN 0.469 nan 8.230 nan 0.000 0.457 268 G N 0.105 108.908 108.800 0.005 0.000 2.307 268 G HA2 -0.234 3.726 3.960 0.001 0.000 0.210 268 G HA3 -0.234 3.726 3.960 0.001 0.000 0.210 268 G C -0.112 174.853 174.900 0.109 0.000 1.005 268 G CA 0.178 45.324 45.100 0.076 0.000 0.634 268 G HN 0.470 nan 8.290 nan 0.000 0.496 269 D N -1.650 118.829 120.400 0.132 0.000 2.744 269 D HA 0.635 5.275 4.640 0.001 0.000 0.304 269 D C 1.177 177.491 176.300 0.024 0.000 1.179 269 D CA -0.310 53.761 54.000 0.119 0.000 1.024 269 D CB -0.099 40.858 40.800 0.262 0.000 1.453 269 D HN 0.083 nan 8.370 nan 0.000 0.529 270 M N -0.509 118.932 119.600 -0.266 0.000 2.202 270 M HA 0.078 4.558 4.480 0.001 0.000 0.262 270 M C 0.407 176.418 176.300 -0.482 0.000 1.063 270 M CA 1.697 56.532 55.300 -0.775 0.000 1.097 270 M CB -0.300 31.131 32.600 -1.949 0.000 1.382 270 M HN 0.585 nan 8.290 nan 0.000 0.413 271 W N -1.980 119.466 121.300 0.244 0.000 2.873 271 W HA 0.487 5.147 4.660 0.001 0.000 0.282 271 W C 1.105 177.883 176.519 0.430 0.000 1.118 271 W CA 0.279 57.865 57.345 0.403 0.000 1.480 271 W CB -0.304 29.422 29.460 0.443 0.000 0.954 271 W HN 0.357 nan 8.180 nan 0.000 0.591 272 G N 1.926 111.014 108.800 0.480 0.000 2.165 272 G HA2 -0.336 3.625 3.960 0.001 0.000 0.226 272 G HA3 -0.336 3.625 3.960 0.001 0.000 0.226 272 G C 0.936 175.813 174.900 -0.039 0.000 1.035 272 G CA 0.365 45.683 45.100 0.363 0.000 0.744 272 G HN 0.260 nan 8.290 nan 0.000 0.501 273 R N -0.981 119.221 120.500 -0.496 0.000 2.096 273 R HA 0.194 4.534 4.340 0.001 0.000 0.235 273 R C 0.254 175.826 176.300 -1.214 0.000 1.127 273 R CA 1.163 56.330 56.100 -1.556 0.000 0.968 273 R CB -0.040 29.479 30.300 -1.302 0.000 0.861 273 R HN 0.414 nan 8.270 nan 0.000 0.440 274 F N -2.386 117.514 119.950 -0.084 0.000 2.576 274 F HA 0.251 4.779 4.527 0.001 0.000 0.313 274 F C -0.473 175.513 175.800 0.310 0.000 1.078 274 F CA -1.256 56.752 58.000 0.012 0.000 0.921 274 F CB 1.272 40.263 39.000 -0.016 0.000 1.232 274 F HN -0.106 nan 8.300 nan 0.000 0.459 275 W N 0.986 122.408 121.300 0.204 0.000 3.330 275 W HA 0.151 4.812 4.660 0.001 0.000 0.348 275 W C 1.560 178.165 176.519 0.144 0.000 1.205 275 W CA -0.582 56.851 57.345 0.148 0.000 1.841 275 W CB -1.549 27.990 29.460 0.132 0.000 1.084 275 W HN 0.446 nan 8.180 nan 0.000 0.665 276 T N 0.510 115.269 114.554 0.342 0.000 2.680 276 T HA -0.304 4.046 4.350 0.001 0.000 0.268 276 T C 1.279 176.095 174.700 0.193 0.000 1.033 276 T CA 2.068 64.288 62.100 0.199 0.000 1.152 276 T CB -0.348 68.572 68.868 0.087 0.000 0.859 276 T HN 0.343 nan 8.240 nan 0.000 0.452 277 N N 0.469 119.280 118.700 0.184 0.000 2.461 277 N HA 0.218 4.958 4.740 0.001 0.000 0.188 277 N C 1.304 176.895 175.510 0.134 0.000 1.134 277 N CA -0.063 53.074 53.050 0.145 0.000 0.878 277 N CB -0.126 38.428 38.487 0.111 0.000 0.972 277 N HN 0.309 nan 8.380 nan 0.000 0.456 278 L N -0.341 120.976 121.223 0.158 0.000 2.395 278 L HA -0.078 4.262 4.340 0.001 0.000 0.218 278 L C 1.844 178.779 176.870 0.109 0.000 1.130 278 L CA 0.455 55.350 54.840 0.093 0.000 0.826 278 L CB -0.292 41.810 42.059 0.071 0.000 0.941 278 L HN 0.285 nan 8.230 nan 0.000 0.451 279 Y N 1.538 121.877 120.300 0.065 0.000 2.114 279 Y HA -0.404 4.146 4.550 0.001 0.000 0.282 279 Y C 2.959 178.879 175.900 0.033 0.000 1.165 279 Y CA 1.819 59.954 58.100 0.059 0.000 1.148 279 Y CB -0.345 38.148 38.460 0.056 0.000 0.972 279 Y HN 0.327 nan 8.280 nan 0.000 0.504 280 S N 0.136 115.861 115.700 0.042 0.000 2.402 280 S HA -0.216 4.254 4.470 0.001 0.000 0.233 280 S C 1.202 175.721 174.600 -0.134 0.000 1.030 280 S CA 1.733 59.909 58.200 -0.040 0.000 1.003 280 S CB -0.998 62.211 63.200 0.016 0.000 0.813 280 S HN 0.467 nan 8.310 nan 0.000 0.477 281 L N -0.161 120.979 121.223 -0.138 0.000 3.202 281 L HA 0.585 4.925 4.340 0.001 0.000 0.278 281 L C 0.704 177.453 176.870 -0.201 0.000 1.268 281 L CA 0.275 55.012 54.840 -0.172 0.000 1.034 281 L CB 0.051 42.002 42.059 -0.181 0.000 1.407 281 L HN 0.342 nan 8.230 nan 0.000 0.581 282 T N -4.646 109.782 114.554 -0.209 0.000 3.144 282 T HA 0.239 4.589 4.350 0.001 0.000 0.290 282 T C 0.354 174.985 174.700 -0.115 0.000 0.966 282 T CA 0.249 62.237 62.100 -0.187 0.000 0.907 282 T CB -0.011 68.806 68.868 -0.085 0.000 1.152 282 T HN 0.072 nan 8.240 nan 0.000 0.532 283 V N 3.965 123.676 119.914 -0.337 0.000 2.557 283 V HA 0.186 4.307 4.120 0.001 0.000 0.301 283 V C -1.142 174.860 176.094 -0.153 0.000 1.026 283 V CA -1.119 60.918 62.300 -0.438 0.000 1.137 283 V CB 1.323 32.765 31.823 -0.634 0.000 0.917 283 V HN 0.105 nan 8.190 nan 0.000 0.484 284 P HA -0.043 nan 4.420 nan 0.000 0.215 284 P C -0.313 176.517 177.300 -0.784 0.000 1.157 284 P CA 1.548 64.397 63.100 -0.419 0.000 0.868 284 P CB 0.089 31.276 31.700 -0.854 0.000 0.788 285 F N -2.429 117.556 119.950 0.059 0.000 2.824 285 F HA 0.438 4.965 4.527 0.001 0.000 0.375 285 F C 1.432 177.253 175.800 0.035 0.000 1.190 285 F CA -0.876 57.156 58.000 0.053 0.000 1.180 285 F CB 0.361 39.384 39.000 0.038 0.000 1.477 285 F HN -0.213 nan 8.300 nan 0.000 0.542 286 G N 0.378 109.247 108.800 0.116 0.000 2.535 286 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 286 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 286 G C 1.359 176.318 174.900 0.099 0.000 1.122 286 G CA 0.690 45.834 45.100 0.072 0.000 0.769 286 G HN 0.372 nan 8.290 nan 0.000 0.549 287 Q N -0.099 119.779 119.800 0.129 0.000 2.432 287 Q HA 0.153 4.493 4.340 0.001 0.000 0.205 287 Q C 1.346 177.405 176.000 0.097 0.000 0.945 287 Q CA 0.249 56.112 55.803 0.099 0.000 0.924 287 Q CB 0.147 28.938 28.738 0.089 0.000 1.016 287 Q HN 0.238 nan 8.270 nan 0.000 0.503 288 K N 0.722 121.203 120.400 0.134 0.000 2.132 288 K HA 0.153 4.473 4.320 0.001 0.000 0.240 288 K C -1.747 174.927 176.600 0.124 0.000 1.036 288 K CA -0.994 55.364 56.287 0.119 0.000 0.888 288 K CB -0.266 32.327 32.500 0.155 0.000 1.071 288 K HN 0.047 nan 8.250 nan 0.000 0.502 289 P HA 0.218 nan 4.420 nan 0.000 0.297 289 P C -0.929 176.453 177.300 0.136 0.000 1.315 289 P CA -0.233 62.944 63.100 0.129 0.000 0.807 289 P CB 0.415 32.195 31.700 0.134 0.000 2.055 290 N N -0.517 118.253 118.700 0.115 0.000 2.479 290 N HA 0.332 5.073 4.740 0.001 0.000 0.261 290 N C -0.387 175.083 175.510 -0.066 0.000 0.979 290 N CA -0.320 52.752 53.050 0.037 0.000 0.930 290 N CB 0.295 38.778 38.487 -0.006 0.000 1.172 290 N HN 0.098 nan 8.380 nan 0.000 0.499 291 I N 1.329 121.872 120.570 -0.045 0.000 3.904 291 I HA 0.265 4.435 4.170 0.001 0.000 0.333 291 I C -0.268 175.771 176.117 -0.130 0.000 1.361 291 I CA 0.031 61.238 61.300 -0.155 0.000 1.116 291 I CB -0.051 37.941 38.000 -0.012 0.000 1.028 291 I HN 0.377 nan 8.210 nan 0.000 0.398 292 D N 0.366 120.709 120.400 -0.096 0.000 2.500 292 D HA 0.126 4.766 4.640 0.001 0.000 0.219 292 D C 1.393 177.609 176.300 -0.141 0.000 1.137 292 D CA -0.002 53.947 54.000 -0.087 0.000 0.946 292 D CB 0.826 41.605 40.800 -0.035 0.000 1.022 292 D HN 0.132 nan 8.370 nan 0.000 0.518 293 V N 1.404 121.194 119.914 -0.206 0.000 3.546 293 V HA -0.077 4.043 4.120 0.001 0.000 0.272 293 V C 1.760 177.707 176.094 -0.246 0.000 1.228 293 V CA 0.725 62.860 62.300 -0.275 0.000 1.184 293 V CB -1.055 30.528 31.823 -0.401 0.000 0.886 293 V HN 0.308 nan 8.190 nan 0.000 0.508 294 T N 1.379 115.839 114.554 -0.157 0.000 2.653 294 T HA -0.219 4.132 4.350 0.001 0.000 0.268 294 T C 1.547 176.179 174.700 -0.113 0.000 1.035 294 T CA 2.478 64.513 62.100 -0.107 0.000 1.154 294 T CB -0.393 68.444 68.868 -0.051 0.000 0.862 294 T HN 0.645 nan 8.240 nan 0.000 0.441 295 D N 0.814 121.149 120.400 -0.108 0.000 2.149 295 D HA 0.092 4.733 4.640 0.001 0.000 0.201 295 D C 2.345 178.558 176.300 -0.144 0.000 0.972 295 D CA 0.984 54.925 54.000 -0.097 0.000 0.835 295 D CB -0.459 40.299 40.800 -0.070 0.000 0.966 295 D HN 0.401 nan 8.370 nan 0.000 0.476 296 A N 0.679 123.379 122.820 -0.201 0.000 1.933 296 A HA -0.178 4.142 4.320 0.001 0.000 0.218 296 A C 2.246 179.600 177.584 -0.383 0.000 1.175 296 A CA 1.319 53.196 52.037 -0.267 0.000 0.628 296 A CB -0.513 18.303 19.000 -0.306 0.000 0.814 296 A HN 0.134 nan 8.150 nan 0.000 0.444 297 M N -1.097 118.234 119.600 -0.449 0.000 2.067 297 M HA -0.126 4.354 4.480 0.001 0.000 0.260 297 M C 2.149 178.285 176.300 -0.274 0.000 1.069 297 M CA 1.498 56.445 55.300 -0.588 0.000 1.117 297 M CB -0.438 31.918 32.600 -0.407 0.000 1.334 297 M HN 0.234 nan 8.290 nan 0.000 0.407 298 V N 0.558 120.394 119.914 -0.130 0.000 2.252 298 V HA -0.330 3.790 4.120 0.001 0.000 0.249 298 V C 1.773 177.847 176.094 -0.032 0.000 1.056 298 V CA 2.047 64.327 62.300 -0.033 0.000 1.022 298 V CB -0.732 31.077 31.823 -0.023 0.000 0.641 298 V HN 0.454 nan 8.190 nan 0.000 0.445 299 D N -0.564 119.791 120.400 -0.074 0.000 2.265 299 D HA -0.173 4.468 4.640 0.001 0.000 0.208 299 D C 2.012 178.288 176.300 -0.041 0.000 0.977 299 D CA 1.102 55.068 54.000 -0.057 0.000 0.871 299 D CB -0.073 40.680 40.800 -0.078 0.000 0.925 299 D HN 0.578 nan 8.370 nan 0.000 0.485 300 Q N -0.692 119.067 119.800 -0.069 0.000 2.247 300 Q HA 0.336 4.677 4.340 0.001 0.000 0.204 300 Q C 0.434 176.554 176.000 0.199 0.000 0.872 300 Q CA 0.082 55.894 55.803 0.015 0.000 0.951 300 Q CB 0.868 29.522 28.738 -0.139 0.000 1.099 300 Q HN 0.144 nan 8.270 nan 0.000 0.501 301 A N 0.451 123.363 122.820 0.153 0.000 2.687 301 A HA -0.179 4.142 4.320 0.001 0.000 0.299 301 A C -0.749 177.024 177.584 0.315 0.000 1.497 301 A CA 0.332 52.482 52.037 0.187 0.000 0.751 301 A CB -2.057 17.021 19.000 0.130 0.000 1.048 301 A HN 0.450 nan 8.150 nan 0.000 0.464 302 W N 1.264 122.586 121.300 0.037 0.000 2.266 302 W HA 0.497 5.157 4.660 0.001 0.000 0.317 302 W C 0.545 177.112 176.519 0.081 0.000 1.310 302 W CA 0.193 57.575 57.345 0.060 0.000 1.207 302 W CB 0.555 30.051 29.460 0.060 0.000 1.199 302 W HN 0.649 nan 8.180 nan 0.000 0.544 303 D N 0.974 121.483 120.400 0.181 0.000 2.392 303 D HA 0.454 5.094 4.640 0.001 0.000 0.246 303 D C 0.939 177.347 176.300 0.180 0.000 1.013 303 D CA -0.459 53.634 54.000 0.154 0.000 0.993 303 D CB 0.869 41.726 40.800 0.095 0.000 1.219 303 D HN 0.330 nan 8.370 nan 0.000 0.538 304 A N 0.171 123.122 122.820 0.219 0.000 1.927 304 A HA -0.277 4.043 4.320 0.001 0.000 0.220 304 A C 2.040 179.873 177.584 0.414 0.000 1.185 304 A CA 1.680 53.921 52.037 0.340 0.000 0.639 304 A CB -0.756 18.418 19.000 0.290 0.000 0.820 304 A HN 0.590 nan 8.150 nan 0.000 0.451 305 Q N -0.828 119.124 119.800 0.254 0.000 2.014 305 Q HA -0.259 4.081 4.340 0.001 0.000 0.207 305 Q C 2.322 178.416 176.000 0.156 0.000 0.993 305 Q CA 2.240 58.174 55.803 0.219 0.000 0.850 305 Q CB -0.412 28.359 28.738 0.056 0.000 0.916 305 Q HN 0.657 nan 8.270 nan 0.000 0.417 306 R N 0.821 121.300 120.500 -0.034 0.000 2.083 306 R HA -0.123 4.217 4.340 0.001 0.000 0.237 306 R C 2.264 178.455 176.300 -0.181 0.000 1.137 306 R CA 1.311 57.242 56.100 -0.282 0.000 0.951 306 R CB -0.686 29.170 30.300 -0.740 0.000 0.851 306 R HN 0.241 nan 8.270 nan 0.000 0.434 307 I N 0.022 120.593 120.570 0.001 0.000 2.113 307 I HA -0.316 3.854 4.170 0.001 0.000 0.242 307 I C 2.137 178.247 176.117 -0.012 0.000 1.064 307 I CA 1.825 63.178 61.300 0.088 0.000 1.320 307 I CB -1.089 36.965 38.000 0.090 0.000 1.028 307 I HN 0.111 nan 8.210 nan 0.000 0.406 308 F N 0.890 120.972 119.950 0.219 0.000 2.187 308 F HA -0.108 4.419 4.527 0.001 0.000 0.295 308 F C 2.560 178.602 175.800 0.403 0.000 1.091 308 F CA 1.059 59.238 58.000 0.299 0.000 1.308 308 F CB -0.529 38.720 39.000 0.415 0.000 1.030 308 F HN -0.085 nan 8.300 nan 0.000 0.487 309 K N 0.650 121.407 120.400 0.594 0.000 2.103 309 K HA -0.218 4.102 4.320 0.001 0.000 0.207 309 K C 1.951 178.672 176.600 0.200 0.000 1.048 309 K CA 1.352 57.849 56.287 0.350 0.000 0.930 309 K CB -0.265 32.255 32.500 0.033 0.000 0.716 309 K HN 0.050 nan 8.250 nan 0.000 0.444 310 E N -0.212 120.061 120.200 0.121 0.000 2.031 310 E HA -0.078 4.273 4.350 0.001 0.000 0.193 310 E C 1.727 178.389 176.600 0.103 0.000 0.994 310 E CA 1.609 58.086 56.400 0.127 0.000 0.800 310 E CB -0.431 29.377 29.700 0.179 0.000 0.752 310 E HN 0.299 nan 8.360 nan 0.000 0.447 311 A N 0.681 123.438 122.820 -0.106 0.000 1.908 311 A HA -0.265 4.056 4.320 0.001 0.000 0.218 311 A C 2.205 179.776 177.584 -0.022 0.000 1.181 311 A CA 1.965 53.710 52.037 -0.487 0.000 0.627 311 A CB -0.768 17.778 19.000 -0.758 0.000 0.818 311 A HN 0.452 nan 8.150 nan 0.000 0.445 312 E N -0.112 120.187 120.200 0.165 0.000 2.033 312 E HA -0.285 4.065 4.350 0.001 0.000 0.199 312 E C 2.078 178.791 176.600 0.188 0.000 1.011 312 E CA 1.752 58.295 56.400 0.239 0.000 0.815 312 E CB -0.212 29.672 29.700 0.307 0.000 0.755 312 E HN 0.568 nan 8.360 nan 0.000 0.451 313 K N -0.388 120.104 120.400 0.154 0.000 2.077 313 K HA -0.248 4.072 4.320 0.001 0.000 0.213 313 K C 2.071 178.727 176.600 0.092 0.000 1.051 313 K CA 1.869 58.225 56.287 0.115 0.000 0.929 313 K CB -0.447 32.127 32.500 0.123 0.000 0.715 313 K HN 0.192 nan 8.250 nan 0.000 0.451 314 F N 0.742 120.669 119.950 -0.038 0.000 2.043 314 F HA -0.272 4.255 4.527 0.001 0.000 0.297 314 F C 1.729 177.412 175.800 -0.195 0.000 1.121 314 F CA 1.771 59.690 58.000 -0.135 0.000 1.199 314 F CB -0.634 38.185 39.000 -0.301 0.000 0.968 314 F HN -0.033 nan 8.300 nan 0.000 0.478 315 F N 0.383 120.223 119.950 -0.183 0.000 2.134 315 F HA -0.175 4.352 4.527 0.001 0.000 0.299 315 F C 2.441 178.098 175.800 -0.240 0.000 1.097 315 F CA 1.516 59.343 58.000 -0.290 0.000 1.264 315 F CB -1.501 37.440 39.000 -0.099 0.000 1.001 315 F HN -0.158 nan 8.300 nan 0.000 0.479 316 V N 0.093 120.027 119.914 0.032 0.000 2.380 316 V HA -0.337 3.783 4.120 0.001 0.000 0.251 316 V C 2.551 178.603 176.094 -0.071 0.000 1.063 316 V CA 2.091 64.385 62.300 -0.009 0.000 1.055 316 V CB -1.297 30.538 31.823 0.019 0.000 0.657 316 V HN 0.553 nan 8.190 nan 0.000 0.455 317 S N 1.038 116.664 115.700 -0.124 0.000 2.399 317 S HA -0.138 4.333 4.470 0.001 0.000 0.231 317 S C 1.786 176.289 174.600 -0.162 0.000 1.022 317 S CA 1.638 59.758 58.200 -0.133 0.000 0.983 317 S CB -0.559 62.560 63.200 -0.135 0.000 0.803 317 S HN 0.757 nan 8.310 nan 0.000 0.480 318 V N -2.197 117.580 119.914 -0.229 0.000 3.633 318 V HA 0.666 4.786 4.120 0.001 0.000 0.283 318 V C 1.382 177.405 176.094 -0.119 0.000 1.305 318 V CA 0.239 62.429 62.300 -0.184 0.000 1.153 318 V CB -0.947 30.733 31.823 -0.238 0.000 0.950 318 V HN 0.882 nan 8.190 nan 0.000 0.432 319 G N 0.171 108.908 108.800 -0.105 0.000 2.144 319 G HA2 -0.187 3.774 3.960 0.001 0.000 0.218 319 G HA3 -0.187 3.774 3.960 0.001 0.000 0.218 319 G C -0.203 174.632 174.900 -0.108 0.000 0.988 319 G CA 0.177 45.215 45.100 -0.104 0.000 0.659 319 G HN 0.544 nan 8.290 nan 0.000 0.522 320 L N 1.716 122.899 121.223 -0.067 0.000 2.375 320 L HA 0.561 4.901 4.340 0.001 0.000 0.268 320 L C -1.407 175.437 176.870 -0.044 0.000 1.058 320 L CA -2.333 52.481 54.840 -0.044 0.000 0.803 320 L CB 1.389 43.453 42.059 0.008 0.000 1.212 320 L HN -0.032 nan 8.230 nan 0.000 0.451 321 P HA 0.100 nan 4.420 nan 0.000 0.277 321 P C -0.949 176.318 177.300 -0.055 0.000 1.240 321 P CA -0.564 62.500 63.100 -0.059 0.000 0.798 321 P CB 0.594 32.250 31.700 -0.072 0.000 0.979 322 N N 1.125 119.814 118.700 -0.018 0.000 2.237 322 N HA 0.039 4.779 4.740 0.001 0.000 0.222 322 N C 0.777 176.253 175.510 -0.057 0.000 1.311 322 N CA 0.248 53.310 53.050 0.020 0.000 0.880 322 N CB 0.034 38.566 38.487 0.076 0.000 1.106 322 N HN 0.411 nan 8.380 nan 0.000 0.435 323 M N 0.406 119.969 119.600 -0.062 0.000 2.198 323 M HA 0.050 4.530 4.480 0.001 0.000 0.315 323 M C 0.886 177.160 176.300 -0.045 0.000 1.134 323 M CA -0.150 54.973 55.300 -0.295 0.000 1.171 323 M CB -0.174 31.956 32.600 -0.784 0.000 1.413 323 M HN 0.565 nan 8.290 nan 0.000 0.467 324 T N -1.150 113.383 114.554 -0.035 0.000 2.918 324 T HA 0.076 4.426 4.350 0.001 0.000 0.302 324 T C 0.975 175.803 174.700 0.213 0.000 1.045 324 T CA -0.504 61.659 62.100 0.104 0.000 1.114 324 T CB 0.978 69.934 68.868 0.147 0.000 0.965 324 T HN 0.691 nan 8.240 nan 0.000 0.540 325 Q N 1.985 121.913 119.800 0.214 0.000 2.173 325 Q HA -0.171 4.169 4.340 0.001 0.000 0.208 325 Q C 2.253 178.388 176.000 0.225 0.000 0.989 325 Q CA 2.163 58.117 55.803 0.252 0.000 0.872 325 Q CB -0.985 27.843 28.738 0.151 0.000 0.909 325 Q HN 1.028 nan 8.270 nan 0.000 0.420 326 G N 0.168 109.061 108.800 0.155 0.000 2.418 326 G HA2 -0.303 3.657 3.960 0.001 0.000 0.217 326 G HA3 -0.303 3.657 3.960 0.001 0.000 0.217 326 G C 1.146 176.085 174.900 0.066 0.000 1.158 326 G CA 0.668 45.824 45.100 0.093 0.000 0.771 326 G HN 0.494 nan 8.290 nan 0.000 0.545 327 F N 0.457 120.358 119.950 -0.082 0.000 2.063 327 F HA -0.182 4.345 4.527 0.001 0.000 0.298 327 F C 2.365 177.996 175.800 -0.283 0.000 1.109 327 F CA 1.978 59.827 58.000 -0.251 0.000 1.212 327 F CB -0.240 38.506 39.000 -0.424 0.000 0.973 327 F HN 0.257 nan 8.300 nan 0.000 0.480 328 W N 0.633 122.013 121.300 0.133 0.000 2.467 328 W HA -0.039 4.622 4.660 0.001 0.000 0.275 328 W C 2.348 178.828 176.519 -0.063 0.000 1.239 328 W CA 0.939 58.294 57.345 0.016 0.000 1.266 328 W CB -0.394 29.129 29.460 0.104 0.000 1.112 328 W HN 0.062 nan 8.180 nan 0.000 0.576 329 E N -0.004 120.280 120.200 0.141 0.000 2.112 329 E HA -0.120 4.231 4.350 0.001 0.000 0.190 329 E C 1.563 178.144 176.600 -0.033 0.000 0.979 329 E CA 0.873 57.307 56.400 0.056 0.000 0.814 329 E CB -0.160 29.567 29.700 0.046 0.000 0.762 329 E HN 0.292 nan 8.360 nan 0.000 0.460 330 N N -0.112 118.512 118.700 -0.126 0.000 2.227 330 N HA 0.073 4.813 4.740 0.001 0.000 0.196 330 N C 0.095 175.457 175.510 -0.247 0.000 1.142 330 N CA 0.088 53.018 53.050 -0.199 0.000 0.887 330 N CB 0.788 39.098 38.487 -0.296 0.000 1.022 330 N HN -0.121 nan 8.380 nan 0.000 0.500 331 S N 0.981 116.465 115.700 -0.360 0.000 2.584 331 S HA 0.167 4.638 4.470 0.001 0.000 0.270 331 S C 0.337 174.861 174.600 -0.126 0.000 1.346 331 S CA -0.081 57.893 58.200 -0.377 0.000 1.018 331 S CB 1.046 63.707 63.200 -0.899 0.000 0.899 331 S HN 0.200 nan 8.310 nan 0.000 0.542 332 M N 3.470 123.048 119.600 -0.037 0.000 2.046 332 M HA 0.291 4.771 4.480 0.001 0.000 0.309 332 M C -0.959 175.258 176.300 -0.138 0.000 0.935 332 M CA -0.646 54.608 55.300 -0.077 0.000 0.915 332 M CB 0.344 32.880 32.600 -0.106 0.000 1.474 332 M HN 0.423 nan 8.290 nan 0.000 0.415 333 L N 3.430 124.562 121.223 -0.151 0.000 2.607 333 L HA 0.316 4.657 4.340 0.001 0.000 0.228 333 L C 0.060 176.945 176.870 0.026 0.000 1.123 333 L CA 0.414 55.162 54.840 -0.153 0.000 0.890 333 L CB -1.299 40.603 42.059 -0.263 0.000 1.103 333 L HN 0.701 nan 8.230 nan 0.000 0.468 334 T N -3.624 110.936 114.554 0.010 0.000 3.012 334 T HA 0.194 4.544 4.350 0.001 0.000 0.330 334 T C -0.569 174.133 174.700 0.003 0.000 1.321 334 T CA -0.937 61.186 62.100 0.039 0.000 1.067 334 T CB 2.260 71.160 68.868 0.054 0.000 1.235 334 T HN -0.128 nan 8.240 nan 0.000 0.479 335 D N 2.638 123.044 120.400 0.010 0.000 2.662 335 D HA 0.048 4.688 4.640 0.001 0.000 0.237 335 D C -1.141 175.150 176.300 -0.016 0.000 1.154 335 D CA -1.024 52.970 54.000 -0.010 0.000 0.861 335 D CB 1.027 41.831 40.800 0.005 0.000 1.146 335 D HN 0.250 nan 8.370 nan 0.000 0.518 336 P HA 0.094 nan 4.420 nan 0.000 0.234 336 P C 0.704 177.990 177.300 -0.022 0.000 1.167 336 P CA 0.779 63.859 63.100 -0.033 0.000 0.763 336 P CB 0.112 31.779 31.700 -0.055 0.000 0.835 337 G N -0.346 108.442 108.800 -0.020 0.000 2.498 337 G HA2 -0.226 3.734 3.960 0.001 0.000 0.251 337 G HA3 -0.226 3.734 3.960 0.001 0.000 0.251 337 G C -0.042 174.847 174.900 -0.017 0.000 1.170 337 G CA -0.248 44.845 45.100 -0.011 0.000 0.944 337 G HN 0.218 nan 8.290 nan 0.000 0.567 338 N N 0.354 119.047 118.700 -0.011 0.000 2.381 338 N HA 0.374 5.115 4.740 0.001 0.000 0.289 338 N C 1.520 177.020 175.510 -0.016 0.000 1.288 338 N CA 0.536 53.579 53.050 -0.012 0.000 0.960 338 N CB 0.288 38.773 38.487 -0.004 0.000 1.116 338 N HN 1.430 nan 8.380 nan 0.000 0.557 339 V N -1.455 118.451 119.914 -0.013 0.000 2.112 339 V HA -0.266 3.854 4.120 0.001 0.000 0.103 339 V C 0.293 176.373 176.094 -0.023 0.000 0.457 339 V CA 1.781 64.073 62.300 -0.014 0.000 1.359 339 V CB -2.172 29.646 31.823 -0.009 0.000 1.601 339 V HN 0.935 nan 8.190 nan 0.000 0.928 340 Q N -0.687 119.093 119.800 -0.034 0.000 3.943 340 Q HA 0.173 4.514 4.340 0.001 0.000 0.143 340 Q C -0.043 175.915 176.000 -0.071 0.000 0.840 340 Q CA -0.033 55.738 55.803 -0.053 0.000 1.000 340 Q CB 0.535 29.240 28.738 -0.055 0.000 1.524 340 Q HN 0.814 nan 8.270 nan 0.000 0.534 341 K N 0.330 120.687 120.400 -0.072 0.000 2.219 341 K HA 0.814 5.135 4.320 0.001 0.000 0.258 341 K C -0.416 176.099 176.600 -0.142 0.000 1.008 341 K CA 0.038 56.275 56.287 -0.084 0.000 0.928 341 K CB 1.316 33.779 32.500 -0.061 0.000 0.983 341 K HN 0.263 nan 8.250 nan 0.000 0.484 342 A N 0.925 123.657 122.820 -0.147 0.000 2.610 342 A HA 0.457 4.777 4.320 0.001 0.000 0.291 342 A C -0.696 176.794 177.584 -0.156 0.000 1.086 342 A CA -0.669 51.240 52.037 -0.213 0.000 0.677 342 A CB 1.123 19.982 19.000 -0.235 0.000 1.278 342 A HN 0.809 nan 8.150 nan 0.000 0.414 343 V N -1.896 117.912 119.914 -0.177 0.000 2.881 343 V HA 0.454 4.574 4.120 0.001 0.000 0.303 343 V C 0.568 176.657 176.094 -0.008 0.000 1.070 343 V CA 0.244 62.505 62.300 -0.063 0.000 1.074 343 V CB 0.837 32.632 31.823 -0.047 0.000 1.012 343 V HN 1.025 nan 8.190 nan 0.000 0.482 344 c N 1.787 120.441 118.600 0.090 0.000 3.392 344 c HA 0.379 4.949 4.570 0.001 0.000 0.301 344 c C 0.763 174.929 174.090 0.126 0.000 1.354 344 c CA -0.231 56.148 56.329 0.084 0.000 1.732 344 c CB -1.669 40.870 42.510 0.049 0.000 2.269 344 c HN 1.033 nan 8.230 nan 0.000 0.673 345 H N 2.410 121.493 119.070 0.023 0.000 3.187 345 H HA 0.112 4.668 4.556 0.001 0.000 0.286 345 H C -2.394 172.975 175.328 0.068 0.000 0.944 345 H CA -0.217 55.850 56.048 0.032 0.000 1.429 345 H CB -0.140 29.633 29.762 0.018 0.000 1.483 345 H HN 0.235 nan 8.280 nan 0.000 0.555 346 P HA 0.044 nan 4.420 nan 0.000 0.266 346 P C -0.626 176.792 177.300 0.197 0.000 1.215 346 P CA -0.003 63.196 63.100 0.165 0.000 0.763 346 P CB 0.663 32.439 31.700 0.126 0.000 0.806 347 T N 0.239 114.959 114.554 0.277 0.000 2.912 347 T HA 0.754 5.104 4.350 0.001 0.000 0.299 347 T C -0.776 174.164 174.700 0.400 0.000 1.052 347 T CA -1.063 61.196 62.100 0.264 0.000 0.996 347 T CB 1.905 70.910 68.868 0.227 0.000 1.070 347 T HN 0.223 nan 8.240 nan 0.000 0.465 348 A N 2.003 124.971 122.820 0.246 0.000 2.260 348 A HA 0.636 4.956 4.320 0.001 0.000 0.314 348 A C -1.172 176.556 177.584 0.241 0.000 1.257 348 A CA -0.874 51.364 52.037 0.334 0.000 0.871 348 A CB 0.062 19.245 19.000 0.304 0.000 1.166 348 A HN 0.764 nan 8.150 nan 0.000 0.522 349 W N 1.433 122.832 121.300 0.165 0.000 2.361 349 W HA 0.458 5.118 4.660 0.001 0.000 0.309 349 W C -0.172 176.384 176.519 0.061 0.000 1.122 349 W CA -0.135 57.270 57.345 0.099 0.000 1.208 349 W CB 1.391 30.904 29.460 0.088 0.000 1.246 349 W HN 0.643 nan 8.180 nan 0.000 0.490 350 D N 3.505 123.992 120.400 0.146 0.000 2.483 350 D HA 0.155 4.795 4.640 0.001 0.000 0.281 350 D C 0.696 176.959 176.300 -0.062 0.000 1.174 350 D CA -0.200 53.803 54.000 0.005 0.000 0.938 350 D CB 0.503 41.350 40.800 0.079 0.000 1.002 350 D HN 0.160 nan 8.370 nan 0.000 0.501 351 L N 1.864 123.042 121.223 -0.075 0.000 2.131 351 L HA 0.199 4.539 4.340 0.001 0.000 0.210 351 L C 1.652 178.523 176.870 0.001 0.000 1.092 351 L CA 1.479 56.288 54.840 -0.051 0.000 0.759 351 L CB -0.817 41.153 42.059 -0.148 0.000 0.903 351 L HN 0.621 nan 8.230 nan 0.000 0.435 352 G N -1.830 106.938 108.800 -0.052 0.000 2.462 352 G HA2 -0.093 3.867 3.960 0.001 0.000 0.685 352 G HA3 -0.093 3.867 3.960 0.001 0.000 0.685 352 G C -0.392 174.490 174.900 -0.030 0.000 1.295 352 G CA -0.523 44.592 45.100 0.024 0.000 0.941 352 G HN 0.051 nan 8.290 nan 0.000 0.554 353 K N -0.910 119.420 120.400 -0.117 0.000 3.156 353 K HA -0.152 4.168 4.320 0.001 0.000 0.266 353 K C 1.465 177.949 176.600 -0.193 0.000 0.966 353 K CA 1.647 57.792 56.287 -0.236 0.000 0.719 353 K CB -1.568 30.593 32.500 -0.565 0.000 1.333 353 K HN 2.690 nan 8.250 nan 0.000 0.468 354 G N 1.116 109.815 108.800 -0.170 0.000 2.269 354 G HA2 -0.336 3.624 3.960 0.001 0.000 0.277 354 G HA3 -0.336 3.624 3.960 0.001 0.000 0.277 354 G C -0.194 174.548 174.900 -0.265 0.000 1.008 354 G CA 0.698 45.725 45.100 -0.121 0.000 0.774 354 G HN 0.619 nan 8.290 nan 0.000 0.511 355 D N -0.116 120.017 120.400 -0.445 0.000 2.317 355 D HA 0.575 5.215 4.640 0.001 0.000 0.234 355 D C -0.138 175.809 176.300 -0.589 0.000 1.112 355 D CA -0.462 53.353 54.000 -0.308 0.000 0.840 355 D CB 0.101 40.866 40.800 -0.059 0.000 1.078 355 D HN 0.067 nan 8.370 nan 0.000 0.486 356 F N 3.218 123.169 119.950 0.001 0.000 2.563 356 F HA 0.594 5.122 4.527 0.001 0.000 0.316 356 F C 0.573 176.377 175.800 0.007 0.000 1.076 356 F CA -0.913 57.114 58.000 0.045 0.000 0.921 356 F CB 1.787 40.838 39.000 0.084 0.000 1.209 356 F HN 0.275 nan 8.300 nan 0.000 0.462 357 R N 1.676 122.287 120.500 0.184 0.000 2.709 357 R HA 0.727 5.067 4.340 0.001 0.000 0.270 357 R C -2.297 174.057 176.300 0.091 0.000 1.038 357 R CA -0.916 55.105 56.100 -0.130 0.000 0.872 357 R CB 1.495 31.446 30.300 -0.582 0.000 1.259 357 R HN 0.619 nan 8.270 nan 0.000 0.473 358 I N 1.538 122.060 120.570 -0.080 0.000 2.562 358 I HA 0.445 4.615 4.170 0.001 0.000 0.301 358 I C -0.981 175.233 176.117 0.161 0.000 1.003 358 I CA -1.459 59.957 61.300 0.194 0.000 1.127 358 I CB 2.100 40.235 38.000 0.226 0.000 1.304 358 I HN 0.511 nan 8.210 nan 0.000 0.446 359 L N 6.802 128.193 121.223 0.279 0.000 2.349 359 L HA 0.712 5.052 4.340 0.001 0.000 0.278 359 L C -1.046 175.897 176.870 0.123 0.000 0.996 359 L CA -0.122 54.772 54.840 0.090 0.000 0.825 359 L CB 1.325 43.344 42.059 -0.066 0.000 1.243 359 L HN 0.710 nan 8.230 nan 0.000 0.412 360 M N 5.611 125.250 119.600 0.065 0.000 2.296 360 M HA 0.274 4.754 4.480 0.001 0.000 0.268 360 M C -1.353 175.007 176.300 0.099 0.000 1.048 360 M CA -0.378 55.000 55.300 0.130 0.000 0.966 360 M CB 1.420 34.182 32.600 0.269 0.000 1.912 360 M HN 0.682 nan 8.290 nan 0.000 0.484 361 c N 3.019 121.665 118.600 0.076 0.000 3.183 361 c HA 0.213 4.783 4.570 0.001 0.000 0.545 361 c C 0.655 174.805 174.090 0.101 0.000 1.044 361 c CA -0.428 55.939 56.329 0.062 0.000 1.117 361 c CB -2.260 40.270 42.510 0.035 0.000 1.393 361 c HN 0.716 nan 8.230 nan 0.000 0.611 362 T N 3.690 118.336 114.554 0.154 0.000 2.829 362 T HA 0.074 4.424 4.350 0.001 0.000 0.293 362 T C 0.420 175.214 174.700 0.156 0.000 0.970 362 T CA 0.475 62.696 62.100 0.201 0.000 1.168 362 T CB 0.295 69.360 68.868 0.328 0.000 0.911 362 T HN 0.485 nan 8.240 nan 0.000 0.535 363 K N 2.282 122.763 120.400 0.135 0.000 2.166 363 K HA 0.380 4.701 4.320 0.001 0.000 0.245 363 K C 0.086 176.768 176.600 0.137 0.000 0.967 363 K CA -0.999 55.358 56.287 0.115 0.000 0.863 363 K CB 1.786 34.335 32.500 0.082 0.000 1.107 363 K HN 0.272 nan 8.250 nan 0.000 0.436 364 V N 2.204 122.197 119.914 0.131 0.000 2.743 364 V HA 0.021 4.141 4.120 0.001 0.000 0.356 364 V C 0.069 176.228 176.094 0.108 0.000 1.594 364 V CA 0.046 62.438 62.300 0.154 0.000 1.652 364 V CB -1.625 30.292 31.823 0.157 0.000 1.389 364 V HN 0.605 nan 8.190 nan 0.000 0.514 365 T N 0.360 114.979 114.554 0.108 0.000 2.928 365 T HA 0.332 4.682 4.350 0.001 0.000 0.284 365 T C 1.082 175.840 174.700 0.096 0.000 1.008 365 T CA -0.516 61.627 62.100 0.072 0.000 1.057 365 T CB 2.192 71.096 68.868 0.060 0.000 1.018 365 T HN 0.286 nan 8.240 nan 0.000 0.493 366 M N 1.215 120.840 119.600 0.042 0.000 2.213 366 M HA -0.152 4.328 4.480 0.001 0.000 0.263 366 M C 1.204 177.584 176.300 0.133 0.000 1.062 366 M CA 1.702 57.038 55.300 0.060 0.000 1.105 366 M CB -0.217 32.367 32.600 -0.028 0.000 1.385 366 M HN 0.587 nan 8.290 nan 0.000 0.417 367 D N 0.559 121.004 120.400 0.075 0.000 2.104 367 D HA -0.198 4.442 4.640 0.001 0.000 0.194 367 D C 1.443 177.788 176.300 0.075 0.000 0.994 367 D CA 1.633 55.666 54.000 0.054 0.000 0.830 367 D CB -0.579 40.233 40.800 0.020 0.000 0.959 367 D HN 0.429 nan 8.370 nan 0.000 0.452 368 D N -0.392 120.069 120.400 0.101 0.000 2.183 368 D HA -0.085 4.555 4.640 0.001 0.000 0.203 368 D C 1.721 178.095 176.300 0.124 0.000 0.969 368 D CA 0.169 54.234 54.000 0.109 0.000 0.842 368 D CB -0.368 40.509 40.800 0.129 0.000 0.957 368 D HN 0.179 nan 8.370 nan 0.000 0.484 369 F N 0.851 120.824 119.950 0.038 0.000 2.134 369 F HA -0.110 4.417 4.527 0.001 0.000 0.299 369 F C 1.765 177.587 175.800 0.037 0.000 1.097 369 F CA 1.218 59.254 58.000 0.060 0.000 1.264 369 F CB -0.120 38.927 39.000 0.077 0.000 1.001 369 F HN -0.088 nan 8.300 nan 0.000 0.479 370 L N -0.613 120.609 121.223 -0.002 0.000 2.023 370 L HA -0.171 4.170 4.340 0.001 0.000 0.205 370 L C 2.486 179.312 176.870 -0.072 0.000 1.073 370 L CA 1.657 56.397 54.840 -0.167 0.000 0.745 370 L CB -1.345 40.708 42.059 -0.010 0.000 0.900 370 L HN 0.093 nan 8.230 nan 0.000 0.435 371 T N 0.153 114.708 114.554 0.001 0.000 2.680 371 T HA -0.292 4.059 4.350 0.001 0.000 0.268 371 T C 1.906 176.656 174.700 0.084 0.000 1.033 371 T CA 1.677 63.802 62.100 0.041 0.000 1.152 371 T CB -0.184 68.701 68.868 0.028 0.000 0.859 371 T HN 0.484 nan 8.240 nan 0.000 0.452 372 A N 0.548 123.350 122.820 -0.029 0.000 1.908 372 A HA -0.170 4.150 4.320 0.001 0.000 0.218 372 A C 1.932 179.487 177.584 -0.048 0.000 1.181 372 A CA 2.106 54.041 52.037 -0.171 0.000 0.627 372 A CB -0.847 17.724 19.000 -0.715 0.000 0.818 372 A HN 0.607 nan 8.150 nan 0.000 0.445 373 H N -1.931 117.001 119.070 -0.231 0.000 2.357 373 H HA -0.101 4.456 4.556 0.001 0.000 0.301 373 H C 1.933 177.302 175.328 0.068 0.000 1.082 373 H CA 1.712 57.666 56.048 -0.156 0.000 1.342 373 H CB -0.534 28.935 29.762 -0.488 0.000 1.389 373 H HN 0.839 nan 8.280 nan 0.000 0.511 374 H N 0.488 119.608 119.070 0.083 0.000 2.319 374 H HA -0.125 4.431 4.556 0.001 0.000 0.299 374 H C 1.867 177.281 175.328 0.144 0.000 1.092 374 H CA 1.599 57.689 56.048 0.069 0.000 1.302 374 H CB 0.399 30.194 29.762 0.055 0.000 1.373 374 H HN 0.193 nan 8.280 nan 0.000 0.497 375 E N 0.463 120.942 120.200 0.465 0.000 2.031 375 E HA -0.202 4.148 4.350 0.001 0.000 0.193 375 E C 2.376 179.200 176.600 0.374 0.000 0.994 375 E CA 1.212 57.915 56.400 0.505 0.000 0.800 375 E CB -0.515 29.453 29.700 0.446 0.000 0.752 375 E HN 0.583 nan 8.360 nan 0.000 0.447 376 M N 0.381 120.157 119.600 0.292 0.000 2.358 376 M HA -0.087 4.394 4.480 0.001 0.000 0.264 376 M C 1.873 178.085 176.300 -0.148 0.000 1.064 376 M CA 1.529 56.906 55.300 0.129 0.000 1.093 376 M CB -0.163 32.566 32.600 0.215 0.000 1.401 376 M HN 0.125 nan 8.290 nan 0.000 0.440 377 G N -0.422 108.384 108.800 0.010 0.000 2.433 377 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 377 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 377 G C 1.215 176.010 174.900 -0.175 0.000 1.186 377 G CA 0.875 45.875 45.100 -0.166 0.000 0.779 377 G HN 0.495 nan 8.290 nan 0.000 0.543 378 H N 0.458 119.572 119.070 0.073 0.000 2.289 378 H HA -0.079 4.478 4.556 0.001 0.000 0.296 378 H C 2.780 178.182 175.328 0.124 0.000 1.091 378 H CA 1.346 57.538 56.048 0.239 0.000 1.274 378 H CB -0.245 29.694 29.762 0.294 0.000 1.364 378 H HN 0.163 nan 8.280 nan 0.000 0.490 379 I N 0.977 121.634 120.570 0.145 0.000 2.264 379 I HA -0.240 3.931 4.170 0.001 0.000 0.248 379 I C 2.542 178.478 176.117 -0.303 0.000 1.111 379 I CA 1.182 62.465 61.300 -0.028 0.000 1.382 379 I CB -0.987 36.978 38.000 -0.057 0.000 1.060 379 I HN 0.220 nan 8.210 nan 0.000 0.418 380 Q N -0.102 119.459 119.800 -0.398 0.000 2.119 380 Q HA -0.208 4.133 4.340 0.001 0.000 0.201 380 Q C 2.294 178.088 176.000 -0.343 0.000 0.972 380 Q CA 1.517 57.021 55.803 -0.498 0.000 0.847 380 Q CB -0.436 27.847 28.738 -0.758 0.000 0.903 380 Q HN 0.584 nan 8.270 nan 0.000 0.433 381 Y N 0.150 120.197 120.300 -0.421 0.000 2.114 381 Y HA -0.255 4.295 4.550 0.001 0.000 0.284 381 Y C 1.465 176.910 175.900 -0.757 0.000 1.143 381 Y CA 0.999 58.810 58.100 -0.482 0.000 1.135 381 Y CB 0.169 38.348 38.460 -0.469 0.000 0.980 381 Y HN 0.211 nan 8.280 nan 0.000 0.499 382 D N 0.331 120.444 120.400 -0.479 0.000 2.190 382 D HA -0.236 4.405 4.640 0.001 0.000 0.200 382 D C 2.018 178.024 176.300 -0.491 0.000 0.992 382 D CA 1.613 55.217 54.000 -0.661 0.000 0.854 382 D CB -0.216 40.635 40.800 0.085 0.000 0.936 382 D HN 0.501 nan 8.370 nan 0.000 0.462 383 M N 0.407 119.687 119.600 -0.533 0.000 2.115 383 M HA -0.041 4.439 4.480 0.001 0.000 0.261 383 M C 2.478 178.623 176.300 -0.259 0.000 1.079 383 M CA 1.147 56.150 55.300 -0.495 0.000 1.143 383 M CB -0.260 31.945 32.600 -0.658 0.000 1.332 383 M HN -0.053 nan 8.290 nan 0.000 0.421 384 A N 0.596 123.235 122.820 -0.301 0.000 1.958 384 A HA -0.230 4.091 4.320 0.001 0.000 0.221 384 A C 1.786 179.262 177.584 -0.180 0.000 1.178 384 A CA 1.971 53.818 52.037 -0.317 0.000 0.642 384 A CB -1.382 17.255 19.000 -0.605 0.000 0.816 384 A HN 0.796 nan 8.150 nan 0.000 0.453 385 Y N -3.528 116.723 120.300 -0.082 0.000 2.493 385 Y HA 0.655 5.205 4.550 0.001 0.000 0.275 385 Y C 1.831 177.721 175.900 -0.018 0.000 1.183 385 Y CA 0.095 58.157 58.100 -0.063 0.000 1.258 385 Y CB -0.302 38.113 38.460 -0.075 0.000 1.108 385 Y HN 0.177 nan 8.280 nan 0.000 0.521 386 A N 1.256 124.198 122.820 0.203 0.000 2.067 386 A HA 0.017 4.337 4.320 0.001 0.000 0.219 386 A C 2.266 179.934 177.584 0.139 0.000 1.158 386 A CA 1.309 53.472 52.037 0.209 0.000 0.661 386 A CB -0.753 18.376 19.000 0.215 0.000 0.801 386 A HN 0.664 nan 8.150 nan 0.000 0.452 387 A N -1.197 121.690 122.820 0.112 0.000 2.119 387 A HA 0.059 4.380 4.320 0.001 0.000 0.217 387 A C 1.220 178.839 177.584 0.058 0.000 1.153 387 A CA 0.301 52.384 52.037 0.076 0.000 0.692 387 A CB -0.126 18.918 19.000 0.073 0.000 0.799 387 A HN 0.497 nan 8.150 nan 0.000 0.458 388 Q N 0.617 120.455 119.800 0.064 0.000 2.340 388 Q HA 0.239 4.580 4.340 0.001 0.000 0.249 388 Q C -2.414 173.597 176.000 0.019 0.000 0.957 388 Q CA -2.168 53.648 55.803 0.022 0.000 0.882 388 Q CB 0.124 28.850 28.738 -0.019 0.000 1.235 388 Q HN 0.230 nan 8.270 nan 0.000 0.439 389 P HA -0.122 nan 4.420 nan 0.000 0.265 389 P C 0.596 177.942 177.300 0.076 0.000 1.187 389 P CA 0.193 63.319 63.100 0.044 0.000 0.766 389 P CB 0.295 32.021 31.700 0.044 0.000 0.820 390 F N 3.485 123.421 119.950 -0.023 0.000 2.079 390 F HA -0.271 4.256 4.527 0.001 0.000 0.296 390 F C 1.835 177.662 175.800 0.045 0.000 1.084 390 F CA 1.829 59.829 58.000 -0.000 0.000 1.236 390 F CB -0.511 38.475 39.000 -0.024 0.000 0.984 390 F HN 0.186 nan 8.300 nan 0.000 0.488 391 L N -0.550 120.781 121.223 0.181 0.000 2.552 391 L HA -0.125 4.215 4.340 0.001 0.000 0.227 391 L C 1.362 178.186 176.870 -0.077 0.000 1.146 391 L CA 0.062 54.961 54.840 0.097 0.000 0.858 391 L CB -0.273 41.930 42.059 0.240 0.000 0.969 391 L HN 0.218 nan 8.230 nan 0.000 0.451 392 L N -1.119 120.029 121.223 -0.124 0.000 2.616 392 L HA 0.123 4.463 4.340 0.001 0.000 0.229 392 L C 1.089 177.735 176.870 -0.372 0.000 1.110 392 L CA 0.514 55.240 54.840 -0.190 0.000 0.884 392 L CB -0.117 41.869 42.059 -0.122 0.000 1.115 392 L HN -0.013 nan 8.230 nan 0.000 0.481 393 R N 1.651 121.898 120.500 -0.423 0.000 2.853 393 R HA 0.187 4.527 4.340 0.001 0.000 0.238 393 R C -0.326 175.436 176.300 -0.897 0.000 1.538 393 R CA 0.083 55.779 56.100 -0.673 0.000 1.166 393 R CB -0.548 29.585 30.300 -0.279 0.000 1.201 393 R HN 0.136 nan 8.270 nan 0.000 0.606 394 N N -0.074 117.854 118.700 -1.286 0.000 3.322 394 N HA 0.117 4.857 4.740 0.001 0.000 0.233 394 N C -0.775 174.349 175.510 -0.644 0.000 1.399 394 N CA -0.344 52.244 53.050 -0.771 0.000 0.894 394 N CB 1.421 39.690 38.487 -0.363 0.000 1.440 394 N HN 0.415 nan 8.380 nan 0.000 0.503 395 G N 0.143 108.831 108.800 -0.187 0.000 2.664 395 G HA2 0.404 4.365 3.960 0.001 0.000 0.242 395 G HA3 0.404 4.365 3.960 0.001 0.000 0.242 395 G C 1.108 175.935 174.900 -0.122 0.000 1.225 395 G CA 0.430 45.476 45.100 -0.091 0.000 0.849 395 G HN 0.697 nan 8.290 nan 0.000 0.581 396 A N 1.637 124.312 122.820 -0.242 0.000 1.859 396 A HA -0.020 4.300 4.320 0.001 0.000 0.217 396 A C 1.359 178.723 177.584 -0.366 0.000 1.198 396 A CA 2.162 53.867 52.037 -0.554 0.000 0.629 396 A CB -0.671 17.449 19.000 -1.467 0.000 0.830 396 A HN 1.029 nan 8.150 nan 0.000 0.446 397 N N -2.592 115.960 118.700 -0.247 0.000 2.831 397 N HA 0.322 5.062 4.740 0.001 0.000 0.276 397 N C 0.110 175.633 175.510 0.023 0.000 1.416 397 N CA -0.063 52.886 53.050 -0.168 0.000 0.799 397 N CB 0.352 38.606 38.487 -0.388 0.000 1.554 397 N HN 0.309 nan 8.380 nan 0.000 0.541 398 E N -1.541 118.595 120.200 -0.107 0.000 2.284 398 E HA -0.161 4.189 4.350 0.001 0.000 0.200 398 E C 1.229 177.884 176.600 0.091 0.000 1.008 398 E CA 1.507 57.884 56.400 -0.038 0.000 0.829 398 E CB -0.594 29.018 29.700 -0.148 0.000 0.744 398 E HN 0.716 nan 8.360 nan 0.000 0.491 399 G N -0.581 108.359 108.800 0.235 0.000 2.777 399 G HA2 -0.034 3.926 3.960 0.001 0.000 0.211 399 G HA3 -0.034 3.926 3.960 0.001 0.000 0.211 399 G C 0.934 176.093 174.900 0.431 0.000 1.149 399 G CA -0.160 45.140 45.100 0.335 0.000 0.785 399 G HN 0.120 nan 8.290 nan 0.000 0.536 400 F N 0.498 120.604 119.950 0.259 0.000 2.098 400 F HA 0.078 4.605 4.527 0.001 0.000 0.294 400 F C 2.641 178.675 175.800 0.390 0.000 1.107 400 F CA 1.110 59.287 58.000 0.295 0.000 1.234 400 F CB -0.433 38.729 39.000 0.270 0.000 1.002 400 F HN 0.142 nan 8.300 nan 0.000 0.472 401 H N 0.271 119.673 119.070 0.554 0.000 2.290 401 H HA -0.143 4.414 4.556 0.001 0.000 0.298 401 H C 2.213 177.763 175.328 0.371 0.000 1.087 401 H CA 1.843 58.217 56.048 0.543 0.000 1.291 401 H CB -0.099 29.922 29.762 0.432 0.000 1.369 401 H HN 0.179 nan 8.280 nan 0.000 0.492 402 E N 0.423 120.928 120.200 0.509 0.000 2.085 402 E HA -0.143 4.208 4.350 0.001 0.000 0.194 402 E C 2.354 179.025 176.600 0.118 0.000 0.994 402 E CA 0.895 57.511 56.400 0.361 0.000 0.801 402 E CB -0.335 29.551 29.700 0.310 0.000 0.743 402 E HN 0.453 nan 8.360 nan 0.000 0.453 403 A N 0.895 123.786 122.820 0.120 0.000 1.883 403 A HA -0.155 4.165 4.320 0.001 0.000 0.217 403 A C 2.624 180.210 177.584 0.005 0.000 1.186 403 A CA 1.588 53.635 52.037 0.016 0.000 0.624 403 A CB -0.754 18.223 19.000 -0.039 0.000 0.822 403 A HN 0.154 nan 8.150 nan 0.000 0.444 404 V N -0.161 119.760 119.914 0.012 0.000 2.490 404 V HA -0.175 3.946 4.120 0.001 0.000 0.250 404 V C 2.693 178.629 176.094 -0.262 0.000 1.061 404 V CA 1.899 64.120 62.300 -0.131 0.000 1.064 404 V CB -1.137 30.515 31.823 -0.285 0.000 0.670 404 V HN 0.647 nan 8.190 nan 0.000 0.461 405 G N -0.979 107.516 108.800 -0.508 0.000 2.403 405 G HA2 -0.156 3.804 3.960 0.001 0.000 0.216 405 G HA3 -0.156 3.804 3.960 0.001 0.000 0.216 405 G C 1.489 176.020 174.900 -0.614 0.000 1.154 405 G CA 0.332 44.866 45.100 -0.943 0.000 0.784 405 G HN 0.447 nan 8.290 nan 0.000 0.538 406 E N 0.449 120.440 120.200 -0.348 0.000 2.152 406 E HA -0.026 4.325 4.350 0.001 0.000 0.192 406 E C 2.584 179.078 176.600 -0.176 0.000 0.983 406 E CA 0.035 56.356 56.400 -0.130 0.000 0.818 406 E CB -0.139 29.496 29.700 -0.109 0.000 0.758 406 E HN 0.256 nan 8.360 nan 0.000 0.467 407 I N 1.189 121.657 120.570 -0.169 0.000 2.185 407 I HA -0.299 3.871 4.170 0.001 0.000 0.246 407 I C 2.108 178.161 176.117 -0.107 0.000 1.088 407 I CA 1.304 62.532 61.300 -0.120 0.000 1.347 407 I CB -0.701 37.277 38.000 -0.037 0.000 1.041 407 I HN 0.140 nan 8.210 nan 0.000 0.415 408 M N -0.219 119.318 119.600 -0.105 0.000 2.099 408 M HA -0.096 4.384 4.480 0.001 0.000 0.262 408 M C 2.484 178.611 176.300 -0.289 0.000 1.067 408 M CA 1.327 56.532 55.300 -0.158 0.000 1.124 408 M CB -1.696 30.888 32.600 -0.027 0.000 1.353 408 M HN 0.102 nan 8.290 nan 0.000 0.410 409 S N 1.053 116.647 115.700 -0.176 0.000 2.383 409 S HA -0.120 4.351 4.470 0.001 0.000 0.229 409 S C 1.951 176.462 174.600 -0.147 0.000 1.030 409 S CA 1.002 59.105 58.200 -0.161 0.000 1.002 409 S CB -0.397 62.779 63.200 -0.039 0.000 0.829 409 S HN 0.240 nan 8.310 nan 0.000 0.467 410 L N 1.575 122.727 121.223 -0.118 0.000 2.046 410 L HA -0.042 4.299 4.340 0.001 0.000 0.208 410 L C 2.462 179.295 176.870 -0.062 0.000 1.077 410 L CA 1.610 56.424 54.840 -0.043 0.000 0.747 410 L CB -1.151 40.855 42.059 -0.087 0.000 0.896 410 L HN 0.199 nan 8.230 nan 0.000 0.432 411 S N -1.019 114.581 115.700 -0.166 0.000 2.395 411 S HA -0.024 4.446 4.470 0.001 0.000 0.225 411 S C 2.028 176.417 174.600 -0.351 0.000 1.027 411 S CA 0.838 58.922 58.200 -0.193 0.000 0.965 411 S CB -0.249 62.877 63.200 -0.124 0.000 0.812 411 S HN 0.500 nan 8.310 nan 0.000 0.482 412 A N 1.190 123.668 122.820 -0.570 0.000 2.066 412 A HA 0.312 4.632 4.320 0.001 0.000 0.218 412 A C 2.174 179.693 177.584 -0.108 0.000 1.157 412 A CA 1.283 52.947 52.037 -0.622 0.000 0.670 412 A CB -0.631 17.762 19.000 -1.011 0.000 0.804 412 A HN 0.476 nan 8.150 nan 0.000 0.453 413 A N 0.060 122.835 122.820 -0.075 0.000 2.067 413 A HA 0.159 4.479 4.320 0.001 0.000 0.217 413 A C 1.613 179.177 177.584 -0.034 0.000 1.156 413 A CA 1.231 53.286 52.037 0.030 0.000 0.683 413 A CB -1.270 17.814 19.000 0.140 0.000 0.808 413 A HN 0.688 nan 8.150 nan 0.000 0.455 414 T N -1.839 112.686 114.554 -0.047 0.000 2.934 414 T HA 0.225 4.575 4.350 0.001 0.000 0.306 414 T C -1.547 173.114 174.700 -0.066 0.000 1.042 414 T CA -0.735 61.312 62.100 -0.088 0.000 1.145 414 T CB 0.753 69.597 68.868 -0.039 0.000 0.982 414 T HN 0.056 nan 8.240 nan 0.000 0.544 415 P HA -0.065 nan 4.420 nan 0.000 0.218 415 P C 1.497 178.778 177.300 -0.033 0.000 1.148 415 P CA 0.941 63.988 63.100 -0.089 0.000 0.822 415 P CB 0.097 31.804 31.700 0.012 0.000 0.784 416 K N -0.727 119.676 120.400 0.005 0.000 2.009 416 K HA -0.256 4.065 4.320 0.001 0.000 0.210 416 K C 2.217 178.839 176.600 0.036 0.000 1.049 416 K CA 1.635 57.940 56.287 0.029 0.000 0.929 416 K CB -0.642 31.888 32.500 0.050 0.000 0.714 416 K HN 0.089 nan 8.250 nan 0.000 0.440 417 H N -0.191 118.871 119.070 -0.013 0.000 2.321 417 H HA -0.093 4.464 4.556 0.001 0.000 0.300 417 H C 1.747 177.071 175.328 -0.007 0.000 1.087 417 H CA 1.878 57.933 56.048 0.013 0.000 1.319 417 H CB -0.081 29.690 29.762 0.016 0.000 1.379 417 H HN 0.120 nan 8.280 nan 0.000 0.501 418 L N 1.004 122.223 121.223 -0.008 0.000 2.127 418 L HA -0.145 4.195 4.340 0.001 0.000 0.211 418 L C 2.191 178.957 176.870 -0.173 0.000 1.089 418 L CA 1.632 56.389 54.840 -0.138 0.000 0.757 418 L CB -0.683 41.261 42.059 -0.192 0.000 0.899 418 L HN 0.303 nan 8.230 nan 0.000 0.434 419 K N -1.404 118.921 120.400 -0.125 0.000 2.031 419 K HA -0.119 4.202 4.320 0.001 0.000 0.205 419 K C 2.330 178.873 176.600 -0.095 0.000 1.049 419 K CA 1.333 57.561 56.287 -0.098 0.000 0.939 419 K CB -0.275 32.200 32.500 -0.042 0.000 0.717 419 K HN 0.239 nan 8.250 nan 0.000 0.438 420 S N 1.518 117.151 115.700 -0.112 0.000 2.365 420 S HA -0.164 4.307 4.470 0.001 0.000 0.225 420 S C 1.950 176.475 174.600 -0.124 0.000 1.039 420 S CA 1.238 59.367 58.200 -0.119 0.000 1.033 420 S CB -0.306 62.798 63.200 -0.160 0.000 0.887 420 S HN 0.229 nan 8.310 nan 0.000 0.447 421 I N 0.662 121.124 120.570 -0.180 0.000 2.394 421 I HA 0.068 4.238 4.170 0.001 0.000 0.251 421 I C 1.776 177.887 176.117 -0.010 0.000 1.136 421 I CA 0.729 61.991 61.300 -0.062 0.000 1.425 421 I CB -0.726 37.272 38.000 -0.003 0.000 1.079 421 I HN 0.585 nan 8.210 nan 0.000 0.425 422 G N 1.075 109.832 108.800 -0.072 0.000 2.207 422 G HA2 -0.215 3.746 3.960 0.001 0.000 0.216 422 G HA3 -0.215 3.746 3.960 0.001 0.000 0.216 422 G C 0.456 175.277 174.900 -0.133 0.000 1.053 422 G CA -0.100 44.960 45.100 -0.068 0.000 0.764 422 G HN 0.343 nan 8.290 nan 0.000 0.495 423 L N -1.530 119.558 121.223 -0.224 0.000 2.609 423 L HA 0.464 4.804 4.340 0.001 0.000 0.230 423 L C 0.775 177.455 176.870 -0.316 0.000 1.087 423 L CA -0.021 54.601 54.840 -0.362 0.000 0.874 423 L CB 0.355 42.084 42.059 -0.550 0.000 1.114 423 L HN 0.258 nan 8.230 nan 0.000 0.488 424 L N -0.183 120.884 121.223 -0.260 0.000 2.322 424 L HA 0.331 4.671 4.340 0.001 0.000 0.281 424 L C 0.452 177.221 176.870 -0.168 0.000 1.014 424 L CA -0.292 54.387 54.840 -0.268 0.000 0.815 424 L CB 1.671 43.534 42.059 -0.328 0.000 1.247 424 L HN -0.163 nan 8.230 nan 0.000 0.421 425 S N 6.711 122.330 115.700 -0.136 0.000 2.885 425 S HA 0.035 4.505 4.470 0.001 0.000 0.334 425 S C -1.260 173.336 174.600 -0.006 0.000 1.224 425 S CA -0.519 57.650 58.200 -0.051 0.000 1.080 425 S CB 0.266 63.461 63.200 -0.008 0.000 0.801 425 S HN 0.587 nan 8.310 nan 0.000 0.510 426 P HA -0.123 nan 4.420 nan 0.000 0.223 426 P C 0.515 177.835 177.300 0.033 0.000 1.140 426 P CA 0.919 64.022 63.100 0.005 0.000 0.783 426 P CB 0.114 31.811 31.700 -0.005 0.000 0.759 427 D N -0.443 119.987 120.400 0.050 0.000 1.992 427 D HA 0.039 4.679 4.640 0.001 0.000 0.304 427 D C 0.476 176.862 176.300 0.144 0.000 1.099 427 D CA -0.152 53.887 54.000 0.065 0.000 0.846 427 D CB -0.705 40.126 40.800 0.052 0.000 1.011 427 D HN 0.013 nan 8.370 nan 0.000 0.336 428 F N 0.990 120.915 119.950 -0.041 0.000 2.086 428 F HA -0.235 4.292 4.527 0.001 0.000 0.338 428 F C -0.056 175.718 175.800 -0.044 0.000 1.105 428 F CA -0.373 57.601 58.000 -0.044 0.000 1.151 428 F CB -0.334 38.635 39.000 -0.051 0.000 1.729 428 F HN 0.077 nan 8.300 nan 0.000 0.750 429 Q N 6.131 125.604 119.800 -0.544 0.000 2.295 429 Q HA 0.202 4.542 4.340 0.001 0.000 0.259 429 Q C -0.438 175.112 176.000 -0.750 0.000 0.976 429 Q CA -0.327 55.192 55.803 -0.473 0.000 0.923 429 Q CB 0.970 29.537 28.738 -0.285 0.000 1.185 429 Q HN 0.790 nan 8.270 nan 0.000 0.410 430 E N 3.626 123.556 120.200 -0.450 0.000 1.999 430 E HA 0.004 4.354 4.350 0.001 0.000 0.296 430 E C -0.398 176.074 176.600 -0.214 0.000 1.187 430 E CA -0.207 56.013 56.400 -0.300 0.000 1.229 430 E CB 0.111 29.777 29.700 -0.057 0.000 1.131 430 E HN 0.540 nan 8.360 nan 0.000 0.478 431 D N 1.902 122.140 120.400 -0.270 0.000 2.399 431 D HA -0.106 4.535 4.640 0.001 0.000 0.241 431 D C 1.058 177.274 176.300 -0.140 0.000 1.133 431 D CA -0.346 53.539 54.000 -0.192 0.000 0.890 431 D CB 0.731 41.403 40.800 -0.214 0.000 1.201 431 D HN 0.234 nan 8.370 nan 0.000 0.432 432 N N 1.641 120.265 118.700 -0.126 0.000 2.314 432 N HA -0.301 4.440 4.740 0.001 0.000 0.191 432 N C 0.771 176.192 175.510 -0.148 0.000 1.007 432 N CA 1.452 54.438 53.050 -0.107 0.000 0.883 432 N CB -0.270 38.158 38.487 -0.100 0.000 0.969 432 N HN 0.652 nan 8.380 nan 0.000 0.441 433 E N -0.246 119.818 120.200 -0.227 0.000 2.166 433 E HA -0.032 4.319 4.350 0.001 0.000 0.192 433 E C 1.778 178.341 176.600 -0.062 0.000 0.967 433 E CA 1.305 57.503 56.400 -0.337 0.000 0.840 433 E CB -0.038 29.211 29.700 -0.753 0.000 0.795 433 E HN 0.662 nan 8.360 nan 0.000 0.470 434 T N 0.232 114.773 114.554 -0.023 0.000 2.962 434 T HA -0.090 4.261 4.350 0.001 0.000 0.270 434 T C 1.532 176.313 174.700 0.135 0.000 1.088 434 T CA 0.653 62.815 62.100 0.104 0.000 1.127 434 T CB -0.063 68.880 68.868 0.126 0.000 0.883 434 T HN 0.022 nan 8.240 nan 0.000 0.493 435 E N 1.228 121.468 120.200 0.067 0.000 2.077 435 E HA -0.051 4.299 4.350 0.001 0.000 0.193 435 E C 2.201 178.813 176.600 0.020 0.000 0.989 435 E CA 0.788 57.229 56.400 0.069 0.000 0.800 435 E CB -0.217 29.517 29.700 0.056 0.000 0.746 435 E HN 0.453 nan 8.360 nan 0.000 0.452 436 I N 2.045 122.596 120.570 -0.032 0.000 2.141 436 I HA -0.200 3.971 4.170 0.001 0.000 0.236 436 I C 1.924 178.013 176.117 -0.048 0.000 1.071 436 I CA 0.854 62.050 61.300 -0.173 0.000 1.345 436 I CB -1.458 36.279 38.000 -0.438 0.000 1.066 436 I HN 0.034 nan 8.210 nan 0.000 0.406 437 N N 1.054 119.815 118.700 0.100 0.000 2.122 437 N HA -0.293 4.448 4.740 0.001 0.000 0.199 437 N C 1.761 177.426 175.510 0.259 0.000 1.007 437 N CA 1.696 54.895 53.050 0.248 0.000 0.892 437 N CB -0.901 37.788 38.487 0.337 0.000 1.050 437 N HN 0.335 nan 8.380 nan 0.000 0.468 438 F N 1.077 121.065 119.950 0.063 0.000 2.060 438 F HA -0.022 4.505 4.527 0.001 0.000 0.295 438 F C 2.161 177.969 175.800 0.012 0.000 1.120 438 F CA 1.090 59.096 58.000 0.010 0.000 1.205 438 F CB -0.527 38.472 39.000 -0.002 0.000 0.986 438 F HN -0.029 nan 8.300 nan 0.000 0.470 439 L N 0.063 121.302 121.223 0.027 0.000 2.079 439 L HA -0.256 4.084 4.340 0.001 0.000 0.210 439 L C 2.549 179.482 176.870 0.104 0.000 1.081 439 L CA 0.819 55.670 54.840 0.018 0.000 0.752 439 L CB -0.769 41.291 42.059 0.002 0.000 0.896 439 L HN 0.345 nan 8.230 nan 0.000 0.433 440 L N 0.421 121.684 121.223 0.066 0.000 2.056 440 L HA -0.221 4.120 4.340 0.001 0.000 0.207 440 L C 2.451 179.416 176.870 0.158 0.000 1.078 440 L CA 1.832 56.754 54.840 0.136 0.000 0.749 440 L CB -0.542 41.610 42.059 0.156 0.000 0.901 440 L HN 0.321 nan 8.230 nan 0.000 0.433 441 K N -0.763 119.676 120.400 0.066 0.000 2.362 441 K HA -0.164 4.156 4.320 0.001 0.000 0.200 441 K C 1.940 178.449 176.600 -0.152 0.000 1.046 441 K CA 0.899 57.104 56.287 -0.137 0.000 0.952 441 K CB 0.253 32.337 32.500 -0.694 0.000 0.753 441 K HN 0.471 nan 8.250 nan 0.000 0.466 442 Q N -0.680 119.043 119.800 -0.129 0.000 2.165 442 Q HA 0.017 4.357 4.340 0.001 0.000 0.197 442 Q C 2.066 178.155 176.000 0.148 0.000 0.952 442 Q CA 1.058 56.878 55.803 0.028 0.000 0.848 442 Q CB 0.085 28.929 28.738 0.177 0.000 0.931 442 Q HN 0.330 nan 8.270 nan 0.000 0.470 443 A N 1.033 123.882 122.820 0.047 0.000 1.930 443 A HA -0.131 4.190 4.320 0.001 0.000 0.217 443 A C 2.054 179.578 177.584 -0.100 0.000 1.175 443 A CA 0.858 52.707 52.037 -0.313 0.000 0.627 443 A CB -0.444 18.283 19.000 -0.455 0.000 0.815 443 A HN 0.216 nan 8.150 nan 0.000 0.443 444 L N 0.005 121.264 121.223 0.061 0.000 2.081 444 L HA -0.153 4.188 4.340 0.001 0.000 0.212 444 L C 2.542 179.490 176.870 0.130 0.000 1.080 444 L CA 2.439 57.389 54.840 0.185 0.000 0.754 444 L CB -1.346 40.888 42.059 0.292 0.000 0.893 444 L HN 0.428 nan 8.230 nan 0.000 0.433 445 T N -1.329 113.270 114.554 0.076 0.000 2.925 445 T HA 0.104 4.455 4.350 0.001 0.000 0.245 445 T C 1.958 176.722 174.700 0.106 0.000 1.025 445 T CA 0.796 62.943 62.100 0.078 0.000 1.149 445 T CB 0.083 68.906 68.868 -0.076 0.000 0.866 445 T HN 0.130 nan 8.240 nan 0.000 0.437 446 I N 1.061 121.671 120.570 0.067 0.000 2.193 446 I HA -0.073 4.098 4.170 0.001 0.000 0.240 446 I C 2.401 178.518 176.117 0.000 0.000 1.084 446 I CA 0.919 62.285 61.300 0.110 0.000 1.365 446 I CB -0.352 37.830 38.000 0.303 0.000 1.064 446 I HN 0.044 nan 8.210 nan 0.000 0.410 447 V N 1.013 120.831 119.914 -0.160 0.000 2.488 447 V HA -0.047 4.073 4.120 0.001 0.000 0.246 447 V C 2.586 178.545 176.094 -0.225 0.000 1.046 447 V CA 1.730 63.891 62.300 -0.231 0.000 1.053 447 V CB -1.217 30.379 31.823 -0.378 0.000 0.679 447 V HN 0.542 nan 8.190 nan 0.000 0.458 448 G N -0.839 107.767 108.800 -0.323 0.000 2.462 448 G HA2 -0.276 3.685 3.960 0.001 0.000 0.220 448 G HA3 -0.276 3.685 3.960 0.001 0.000 0.220 448 G C 1.697 176.272 174.900 -0.542 0.000 1.121 448 G CA 1.643 46.309 45.100 -0.723 0.000 0.758 448 G HN 0.439 nan 8.290 nan 0.000 0.559 449 T N 0.156 114.551 114.554 -0.264 0.000 3.035 449 T HA 0.158 4.509 4.350 0.001 0.000 0.259 449 T C 2.459 177.107 174.700 -0.087 0.000 1.078 449 T CA 0.166 62.127 62.100 -0.232 0.000 1.132 449 T CB -0.134 68.635 68.868 -0.165 0.000 0.900 449 T HN 0.206 nan 8.240 nan 0.000 0.480 450 L N 1.323 122.495 121.223 -0.086 0.000 1.971 450 L HA -0.087 4.253 4.340 0.001 0.000 0.215 450 L C -0.489 176.455 176.870 0.123 0.000 1.072 450 L CA 1.723 56.570 54.840 0.011 0.000 0.758 450 L CB -1.885 40.137 42.059 -0.061 0.000 0.889 450 L HN 0.210 nan 8.230 nan 0.000 0.433 451 P HA -0.229 nan 4.420 nan 0.000 0.215 451 P C 1.626 178.940 177.300 0.024 0.000 1.157 451 P CA 1.436 64.554 63.100 0.031 0.000 0.868 451 P CB -0.130 31.352 31.700 -0.363 0.000 0.788 452 F N 0.687 120.551 119.950 -0.144 0.000 2.043 452 F HA -0.244 4.284 4.527 0.001 0.000 0.297 452 F C 2.001 177.737 175.800 -0.107 0.000 1.121 452 F CA 2.241 60.156 58.000 -0.142 0.000 1.199 452 F CB -1.371 37.559 39.000 -0.117 0.000 0.968 452 F HN -0.124 nan 8.300 nan 0.000 0.478 453 T N -0.384 114.447 114.554 0.462 0.000 2.720 453 T HA -0.293 4.058 4.350 0.001 0.000 0.268 453 T C 1.638 176.428 174.700 0.151 0.000 1.037 453 T CA 1.847 64.227 62.100 0.466 0.000 1.144 453 T CB -0.943 68.142 68.868 0.363 0.000 0.864 453 T HN 0.611 nan 8.240 nan 0.000 0.444 454 Y N 1.058 121.300 120.300 -0.097 0.000 2.184 454 Y HA -0.046 4.504 4.550 0.001 0.000 0.290 454 Y C 2.554 178.211 175.900 -0.405 0.000 1.129 454 Y CA 1.132 59.004 58.100 -0.380 0.000 1.144 454 Y CB -0.276 37.753 38.460 -0.718 0.000 0.995 454 Y HN -0.014 nan 8.280 nan 0.000 0.513 455 M N 0.218 119.447 119.600 -0.620 0.000 2.082 455 M HA -0.207 4.274 4.480 0.001 0.000 0.258 455 M C 2.195 178.159 176.300 -0.560 0.000 1.069 455 M CA 1.709 56.613 55.300 -0.658 0.000 1.102 455 M CB -0.995 31.308 32.600 -0.495 0.000 1.336 455 M HN 0.556 nan 8.290 nan 0.000 0.404 456 L N 1.376 122.296 121.223 -0.505 0.000 1.990 456 L HA -0.208 4.132 4.340 0.001 0.000 0.213 456 L C 2.224 178.948 176.870 -0.242 0.000 1.072 456 L CA 2.071 56.699 54.840 -0.353 0.000 0.755 456 L CB -1.269 40.485 42.059 -0.509 0.000 0.889 456 L HN 0.322 nan 8.230 nan 0.000 0.432 457 E N -0.484 119.491 120.200 -0.375 0.000 2.204 457 E HA -0.228 4.123 4.350 0.001 0.000 0.194 457 E C 2.151 178.267 176.600 -0.808 0.000 0.989 457 E CA 0.747 56.773 56.400 -0.623 0.000 0.824 457 E CB -0.019 29.116 29.700 -0.940 0.000 0.756 457 E HN 0.393 nan 8.360 nan 0.000 0.477 458 K N 0.160 120.144 120.400 -0.693 0.000 2.057 458 K HA -0.160 4.161 4.320 0.001 0.000 0.206 458 K C 1.736 178.284 176.600 -0.087 0.000 1.050 458 K CA 1.191 57.207 56.287 -0.452 0.000 0.935 458 K CB -0.477 31.569 32.500 -0.757 0.000 0.715 458 K HN 0.146 nan 8.250 nan 0.000 0.439 459 W N 0.978 122.128 121.300 -0.250 0.000 2.380 459 W HA -0.132 4.528 4.660 0.001 0.000 0.317 459 W C 2.174 178.572 176.519 -0.202 0.000 1.196 459 W CA 1.957 59.217 57.345 -0.143 0.000 1.307 459 W CB -0.365 29.084 29.460 -0.018 0.000 1.157 459 W HN -0.015 nan 8.180 nan 0.000 0.483 460 R N -0.203 120.377 120.500 0.133 0.000 2.143 460 R HA -0.277 4.064 4.340 0.001 0.000 0.239 460 R C 2.060 178.179 176.300 -0.300 0.000 1.126 460 R CA 3.112 59.103 56.100 -0.181 0.000 0.927 460 R CB -1.442 28.947 30.300 0.149 0.000 0.860 460 R HN 0.270 nan 8.270 nan 0.000 0.433 461 W N 0.315 121.563 121.300 -0.086 0.000 2.290 461 W HA -0.293 4.367 4.660 0.001 0.000 0.328 461 W C 2.288 178.746 176.519 -0.101 0.000 1.272 461 W CA 1.464 58.811 57.345 0.004 0.000 1.262 461 W CB -1.223 28.266 29.460 0.049 0.000 1.151 461 W HN 0.250 nan 8.180 nan 0.000 0.473 462 M N -0.645 119.002 119.600 0.078 0.000 2.086 462 M HA -0.215 4.265 4.480 0.001 0.000 0.261 462 M C 1.961 178.154 176.300 -0.178 0.000 1.067 462 M CA 1.649 56.929 55.300 -0.034 0.000 1.116 462 M CB -1.126 31.447 32.600 -0.045 0.000 1.348 462 M HN -0.267 nan 8.290 nan 0.000 0.407 463 V N -0.011 119.603 119.914 -0.499 0.000 2.439 463 V HA -0.275 3.845 4.120 0.001 0.000 0.253 463 V C 1.969 177.902 176.094 -0.268 0.000 1.074 463 V CA 1.824 63.773 62.300 -0.586 0.000 1.076 463 V CB -0.850 30.180 31.823 -1.322 0.000 0.664 463 V HN 0.327 nan 8.190 nan 0.000 0.461 464 F N -0.139 119.771 119.950 -0.067 0.000 2.615 464 F HA 0.124 4.651 4.527 0.001 0.000 0.297 464 F C 2.038 177.827 175.800 -0.019 0.000 1.124 464 F CA 0.612 58.593 58.000 -0.031 0.000 1.451 464 F CB -0.379 38.608 39.000 -0.022 0.000 1.103 464 F HN 0.072 nan 8.300 nan 0.000 0.569 465 K N -0.172 120.307 120.400 0.132 0.000 2.417 465 K HA 0.249 4.569 4.320 0.001 0.000 0.196 465 K C 1.492 178.125 176.600 0.055 0.000 1.023 465 K CA 0.657 56.993 56.287 0.083 0.000 1.122 465 K CB -0.173 32.366 32.500 0.064 0.000 0.850 465 K HN 0.281 nan 8.250 nan 0.000 0.521 466 G N 1.109 109.943 108.800 0.056 0.000 2.212 466 G HA2 -0.338 3.622 3.960 0.001 0.000 0.266 466 G HA3 -0.338 3.622 3.960 0.001 0.000 0.266 466 G C 0.548 175.472 174.900 0.039 0.000 0.978 466 G CA 0.710 45.837 45.100 0.047 0.000 0.632 466 G HN 0.566 nan 8.290 nan 0.000 0.537 467 E N -0.308 119.911 120.200 0.031 0.000 2.409 467 E HA 0.028 4.379 4.350 0.001 0.000 0.198 467 E C 0.594 177.219 176.600 0.041 0.000 1.024 467 E CA 0.625 57.046 56.400 0.034 0.000 0.861 467 E CB 0.084 29.805 29.700 0.034 0.000 0.788 467 E HN 0.532 nan 8.360 nan 0.000 0.521 468 I N 1.735 122.329 120.570 0.039 0.000 2.537 468 I HA 0.263 4.433 4.170 0.001 0.000 0.276 468 I C -2.538 173.690 176.117 0.185 0.000 1.063 468 I CA -2.943 58.415 61.300 0.097 0.000 1.144 468 I CB 0.450 38.449 38.000 -0.002 0.000 1.252 468 I HN -0.341 nan 8.210 nan 0.000 0.480 469 P HA -0.024 nan 4.420 nan 0.000 0.264 469 P C 1.061 178.293 177.300 -0.112 0.000 1.179 469 P CA 0.207 63.315 63.100 0.012 0.000 0.763 469 P CB 1.051 32.763 31.700 0.021 0.000 0.806 470 K N 2.621 122.804 120.400 -0.361 0.000 2.218 470 K HA -0.220 4.100 4.320 0.001 0.000 0.205 470 K C 0.917 177.281 176.600 -0.393 0.000 1.046 470 K CA 1.930 57.757 56.287 -0.766 0.000 0.933 470 K CB -0.158 31.972 32.500 -0.618 0.000 0.728 470 K HN 0.527 nan 8.250 nan 0.000 0.454 471 D N -0.843 119.464 120.400 -0.156 0.000 2.340 471 D HA -0.083 4.557 4.640 0.001 0.000 0.220 471 D C 0.525 176.866 176.300 0.070 0.000 1.039 471 D CA 0.463 54.442 54.000 -0.035 0.000 0.866 471 D CB 0.290 41.078 40.800 -0.020 0.000 0.913 471 D HN 0.215 nan 8.370 nan 0.000 0.523 472 Q N -1.043 118.832 119.800 0.124 0.000 2.088 472 Q HA 0.138 4.478 4.340 0.001 0.000 0.270 472 Q C 0.025 176.278 176.000 0.422 0.000 0.854 472 Q CA -0.605 55.340 55.803 0.237 0.000 1.104 472 Q CB 0.355 29.208 28.738 0.192 0.000 1.251 472 Q HN 0.122 nan 8.270 nan 0.000 0.436 473 W N 0.880 122.315 121.300 0.225 0.000 2.376 473 W HA -0.094 4.567 4.660 0.001 0.000 0.324 473 W C 1.781 178.591 176.519 0.485 0.000 1.191 473 W CA 0.832 58.385 57.345 0.346 0.000 1.282 473 W CB -0.405 29.242 29.460 0.313 0.000 1.185 473 W HN 0.268 nan 8.180 nan 0.000 0.458 474 M N 0.370 120.354 119.600 0.641 0.000 2.213 474 M HA -0.146 4.334 4.480 0.001 0.000 0.263 474 M C 1.785 178.473 176.300 0.646 0.000 1.062 474 M CA 1.361 57.009 55.300 0.581 0.000 1.105 474 M CB -1.748 31.174 32.600 0.537 0.000 1.385 474 M HN 0.077 nan 8.290 nan 0.000 0.417 475 K N 0.009 120.709 120.400 0.500 0.000 2.442 475 K HA -0.141 4.179 4.320 0.001 0.000 0.198 475 K C 1.929 178.769 176.600 0.401 0.000 1.042 475 K CA 0.858 57.390 56.287 0.407 0.000 0.958 475 K CB 0.272 32.950 32.500 0.296 0.000 0.766 475 K HN 0.011 nan 8.250 nan 0.000 0.474 476 K N -0.023 120.654 120.400 0.460 0.000 2.313 476 K HA -0.045 4.276 4.320 0.001 0.000 0.197 476 K C 1.550 178.408 176.600 0.431 0.000 1.061 476 K CA 0.165 56.703 56.287 0.418 0.000 0.980 476 K CB -0.297 32.457 32.500 0.424 0.000 0.888 476 K HN 0.319 nan 8.250 nan 0.000 0.502 477 W N 0.516 121.921 121.300 0.175 0.000 2.301 477 W HA -0.297 4.363 4.660 0.001 0.000 0.325 477 W C 1.114 177.439 176.519 -0.323 0.000 1.250 477 W CA 1.470 58.609 57.345 -0.344 0.000 1.261 477 W CB -0.359 28.713 29.460 -0.646 0.000 1.157 477 W HN 0.106 nan 8.180 nan 0.000 0.473 478 W N 0.189 121.546 121.300 0.095 0.000 2.576 478 W HA -0.018 4.642 4.660 0.001 0.000 0.270 478 W C 2.271 178.797 176.519 0.012 0.000 1.255 478 W CA 0.756 58.079 57.345 -0.037 0.000 1.314 478 W CB -0.995 28.497 29.460 0.053 0.000 1.101 478 W HN -0.054 nan 8.180 nan 0.000 0.595 479 E N 0.431 120.793 120.200 0.270 0.000 2.265 479 E HA -0.206 4.144 4.350 0.001 0.000 0.196 479 E C 1.679 178.363 176.600 0.140 0.000 0.996 479 E CA 1.137 57.660 56.400 0.205 0.000 0.832 479 E CB -0.124 29.701 29.700 0.209 0.000 0.756 479 E HN 0.376 nan 8.360 nan 0.000 0.491 480 M N -0.846 118.788 119.600 0.057 0.000 2.615 480 M HA 0.026 4.506 4.480 0.001 0.000 0.262 480 M C 2.054 178.271 176.300 -0.140 0.000 1.198 480 M CA 0.172 55.459 55.300 -0.021 0.000 1.165 480 M CB 0.370 32.937 32.600 -0.054 0.000 1.310 480 M HN -0.177 nan 8.290 nan 0.000 0.494 481 K N 0.521 120.743 120.400 -0.297 0.000 2.103 481 K HA -0.037 4.283 4.320 0.001 0.000 0.204 481 K C 1.964 178.505 176.600 -0.097 0.000 1.052 481 K CA 1.150 57.228 56.287 -0.349 0.000 0.945 481 K CB -0.063 32.073 32.500 -0.606 0.000 0.722 481 K HN 0.355 nan 8.250 nan 0.000 0.443 482 R N 0.737 121.257 120.500 0.034 0.000 2.066 482 R HA -0.110 4.231 4.340 0.001 0.000 0.232 482 R C 2.362 178.761 176.300 0.165 0.000 1.131 482 R CA 1.289 57.437 56.100 0.080 0.000 0.955 482 R CB -0.153 30.248 30.300 0.168 0.000 0.851 482 R HN 0.307 nan 8.270 nan 0.000 0.432 483 E N 0.641 120.969 120.200 0.213 0.000 2.047 483 E HA -0.153 4.197 4.350 0.001 0.000 0.191 483 E C 1.804 178.646 176.600 0.404 0.000 0.987 483 E CA 1.130 57.723 56.400 0.322 0.000 0.799 483 E CB 0.144 29.980 29.700 0.227 0.000 0.752 483 E HN 0.276 nan 8.360 nan 0.000 0.449 484 I N -0.361 120.364 120.570 0.259 0.000 2.556 484 I HA -0.104 4.066 4.170 0.001 0.000 0.251 484 I C 2.028 178.324 176.117 0.299 0.000 1.105 484 I CA 0.255 61.747 61.300 0.319 0.000 1.436 484 I CB 0.362 38.490 38.000 0.212 0.000 1.139 484 I HN -0.023 nan 8.210 nan 0.000 0.438 485 V N 0.526 120.480 119.914 0.067 0.000 3.174 485 V HA 0.215 4.336 4.120 0.001 0.000 0.254 485 V C 1.471 177.480 176.094 -0.142 0.000 1.120 485 V CA 0.963 63.288 62.300 0.043 0.000 1.114 485 V CB -0.340 31.472 31.823 -0.018 0.000 0.756 485 V HN 0.687 nan 8.190 nan 0.000 0.467 486 G N 0.704 109.105 108.800 -0.665 0.000 2.182 486 G HA2 -0.195 3.766 3.960 0.001 0.000 0.248 486 G HA3 -0.195 3.766 3.960 0.001 0.000 0.248 486 G C -0.089 174.576 174.900 -0.392 0.000 1.042 486 G CA 0.306 44.502 45.100 -1.505 0.000 0.775 486 G HN 0.431 nan 8.290 nan 0.000 0.501 487 V N -0.204 119.622 119.914 -0.146 0.000 2.823 487 V HA 0.840 4.960 4.120 0.001 0.000 0.312 487 V C 0.510 176.686 176.094 0.137 0.000 1.072 487 V CA -0.266 62.065 62.300 0.052 0.000 0.937 487 V CB 2.199 34.105 31.823 0.138 0.000 1.013 487 V HN 1.115 nan 8.190 nan 0.000 0.430 488 V N 0.641 120.647 119.914 0.154 0.000 3.001 488 V HA 0.748 4.868 4.120 0.001 0.000 0.314 488 V C -0.492 175.542 176.094 -0.099 0.000 1.099 488 V CA -0.835 61.525 62.300 0.100 0.000 0.989 488 V CB 2.134 33.950 31.823 -0.011 0.000 1.040 488 V HN 0.906 nan 8.190 nan 0.000 0.434 489 E N 3.355 123.227 120.200 -0.547 0.000 2.223 489 E HA 0.299 4.649 4.350 0.001 0.000 0.282 489 E C -2.218 174.035 176.600 -0.577 0.000 1.046 489 E CA -1.887 53.922 56.400 -0.986 0.000 0.857 489 E CB 1.458 30.149 29.700 -1.681 0.000 1.055 489 E HN 0.559 nan 8.360 nan 0.000 0.409 490 P HA -0.063 nan 4.420 nan 0.000 0.226 490 P C 0.223 177.455 177.300 -0.114 0.000 1.153 490 P CA 0.427 63.303 63.100 -0.373 0.000 0.777 490 P CB 0.376 31.650 31.700 -0.710 0.000 0.794 491 V N 1.310 121.068 119.914 -0.259 0.000 2.841 491 V HA 0.367 4.488 4.120 0.001 0.000 0.310 491 V C -2.533 173.176 176.094 -0.643 0.000 1.090 491 V CA -2.378 59.717 62.300 -0.341 0.000 0.930 491 V CB 2.628 34.348 31.823 -0.172 0.000 1.014 491 V HN -0.130 nan 8.190 nan 0.000 0.425 492 P HA 0.350 nan 4.420 nan 0.000 0.274 492 P C -1.369 175.709 177.300 -0.369 0.000 1.231 492 P CA -0.079 62.644 63.100 -0.629 0.000 0.790 492 P CB 0.682 32.010 31.700 -0.621 0.000 0.951 493 H N 1.094 119.988 119.070 -0.294 0.000 2.689 493 H HA 0.176 4.732 4.556 0.001 0.000 0.346 493 H C 0.598 176.002 175.328 0.126 0.000 1.037 493 H CA -0.456 55.463 56.048 -0.215 0.000 1.234 493 H CB 1.297 30.843 29.762 -0.359 0.000 1.572 493 H HN 0.439 nan 8.280 nan 0.000 0.524 494 D N 1.464 122.107 120.400 0.405 0.000 2.230 494 D HA -0.016 4.624 4.640 0.001 0.000 0.274 494 D C 0.448 176.931 176.300 0.305 0.000 1.222 494 D CA 0.367 54.542 54.000 0.292 0.000 0.943 494 D CB 0.726 41.650 40.800 0.207 0.000 0.920 494 D HN 0.408 nan 8.370 nan 0.000 0.300 495 E N -1.078 119.262 120.200 0.233 0.000 2.665 495 E HA 0.018 4.368 4.350 0.001 0.000 0.225 495 E C 1.626 178.292 176.600 0.110 0.000 0.922 495 E CA 0.391 56.909 56.400 0.197 0.000 1.242 495 E CB 0.481 30.256 29.700 0.127 0.000 1.197 495 E HN 0.522 nan 8.360 nan 0.000 0.581 496 T N -1.378 113.187 114.554 0.017 0.000 3.163 496 T HA -0.002 4.349 4.350 0.001 0.000 0.260 496 T C 0.488 174.999 174.700 -0.315 0.000 1.156 496 T CA 0.407 62.408 62.100 -0.165 0.000 1.072 496 T CB -0.397 68.309 68.868 -0.270 0.000 0.937 496 T HN -0.107 nan 8.240 nan 0.000 0.528 497 Y N -0.501 119.776 120.300 -0.038 0.000 2.420 497 Y HA 0.584 5.134 4.550 0.001 0.000 0.334 497 Y C 0.294 176.165 175.900 -0.048 0.000 1.094 497 Y CA -1.803 56.224 58.100 -0.121 0.000 1.126 497 Y CB 1.746 40.071 38.460 -0.226 0.000 1.217 497 Y HN 0.118 nan 8.280 nan 0.000 0.462 498 C N 3.824 123.142 119.300 0.030 0.000 3.421 498 C HA 0.236 4.697 4.460 0.001 0.000 0.194 498 C C 0.611 175.416 174.990 -0.308 0.000 1.418 498 C CA -0.836 58.110 59.018 -0.121 0.000 1.226 498 C CB -1.598 26.090 27.740 -0.087 0.000 1.875 498 C HN 0.935 nan 8.230 nan 0.000 0.561 499 D N 2.795 123.015 120.400 -0.300 0.000 2.116 499 D HA -0.135 4.505 4.640 0.001 0.000 0.193 499 D C -0.399 175.566 176.300 -0.558 0.000 0.998 499 D CA 1.683 55.515 54.000 -0.279 0.000 0.836 499 D CB -0.994 39.853 40.800 0.078 0.000 0.951 499 D HN 0.454 nan 8.370 nan 0.000 0.449 500 P HA -0.162 nan 4.420 nan 0.000 0.216 500 P C 1.223 178.073 177.300 -0.750 0.000 1.154 500 P CA 1.929 64.159 63.100 -1.450 0.000 0.865 500 P CB -0.094 30.152 31.700 -2.424 0.000 0.789 501 A N -0.151 122.244 122.820 -0.709 0.000 2.121 501 A HA -0.093 4.227 4.320 0.001 0.000 0.218 501 A C 2.485 180.014 177.584 -0.092 0.000 1.154 501 A CA 1.531 53.283 52.037 -0.475 0.000 0.679 501 A CB -1.487 17.178 19.000 -0.558 0.000 0.795 501 A HN 0.272 nan 8.150 nan 0.000 0.458 502 S N -0.834 114.869 115.700 0.005 0.000 2.465 502 S HA -0.037 4.433 4.470 0.001 0.000 0.241 502 S C 0.793 175.997 174.600 1.006 0.000 1.000 502 S CA 0.419 58.858 58.200 0.400 0.000 0.964 502 S CB -0.450 62.944 63.200 0.324 0.000 0.763 502 S HN 0.443 nan 8.310 nan 0.000 0.512 503 L N 1.910 123.423 121.223 0.483 0.000 2.272 503 L HA 0.310 4.651 4.340 0.001 0.000 0.289 503 L C 0.884 177.752 176.870 -0.003 0.000 1.032 503 L CA -0.310 54.577 54.840 0.079 0.000 0.810 503 L CB 0.475 42.214 42.059 -0.533 0.000 1.205 503 L HN 0.318 nan 8.230 nan 0.000 0.422 504 F N 5.443 125.264 119.950 -0.216 0.000 2.132 504 F HA -0.407 4.121 4.527 0.001 0.000 0.294 504 F C 2.295 177.936 175.800 -0.263 0.000 1.157 504 F CA 2.641 60.245 58.000 -0.660 0.000 1.258 504 F CB -0.277 38.503 39.000 -0.367 0.000 0.927 504 F HN 0.752 nan 8.300 nan 0.000 0.535 505 H N -0.794 118.330 119.070 0.090 0.000 2.437 505 H HA -0.199 4.357 4.556 0.001 0.000 0.296 505 H C 2.260 177.609 175.328 0.035 0.000 1.121 505 H CA 1.681 57.855 56.048 0.210 0.000 1.255 505 H CB -0.888 29.190 29.762 0.528 0.000 1.366 505 H HN 0.322 nan 8.280 nan 0.000 0.512 506 V N 1.010 120.927 119.914 0.005 0.000 2.231 506 V HA -0.157 3.963 4.120 0.001 0.000 0.240 506 V C 1.832 177.870 176.094 -0.094 0.000 1.039 506 V CA 1.829 64.101 62.300 -0.046 0.000 0.998 506 V CB -0.413 31.250 31.823 -0.266 0.000 0.639 506 V HN 0.437 nan 8.190 nan 0.000 0.451 507 S N 0.208 115.762 115.700 -0.244 0.000 3.697 507 S HA 0.216 4.686 4.470 0.001 0.000 0.207 507 S C 0.495 174.878 174.600 -0.362 0.000 1.459 507 S CA -0.112 57.948 58.200 -0.234 0.000 1.122 507 S CB -0.578 62.528 63.200 -0.158 0.000 1.311 507 S HN 0.613 nan 8.310 nan 0.000 0.487 508 N N 1.112 119.597 118.700 -0.358 0.000 1.975 508 N HA -0.016 4.725 4.740 0.001 0.000 0.220 508 N C -1.163 174.139 175.510 -0.346 0.000 1.413 508 N CA 0.228 52.993 53.050 -0.475 0.000 0.722 508 N CB 0.523 38.386 38.487 -1.040 0.000 1.151 508 N HN 0.501 nan 8.380 nan 0.000 0.557 509 D N 0.777 121.134 120.400 -0.072 0.000 3.082 509 D HA -0.242 4.399 4.640 0.001 0.000 0.234 509 D C -1.674 174.671 176.300 0.075 0.000 1.159 509 D CA 1.101 55.238 54.000 0.228 0.000 0.875 509 D CB -1.302 39.646 40.800 0.247 0.000 0.946 509 D HN 0.269 nan 8.370 nan 0.000 0.411 510 Y N 0.244 120.706 120.300 0.270 0.000 2.421 510 Y HA 0.385 4.935 4.550 0.001 0.000 0.339 510 Y C 0.340 176.014 175.900 -0.376 0.000 0.996 510 Y CA -1.064 57.052 58.100 0.027 0.000 1.046 510 Y CB 1.886 40.436 38.460 0.151 0.000 1.226 510 Y HN 0.066 nan 8.280 nan 0.000 0.445 511 S N 3.560 118.796 115.700 -0.773 0.000 2.515 511 S HA 0.025 4.496 4.470 0.001 0.000 0.285 511 S C 0.584 175.025 174.600 -0.264 0.000 1.265 511 S CA 0.036 57.582 58.200 -1.090 0.000 1.079 511 S CB -0.053 62.537 63.200 -1.016 0.000 0.877 511 S HN 0.689 nan 8.310 nan 0.000 0.493 512 F N 4.326 124.136 119.950 -0.234 0.000 2.446 512 F HA 0.214 4.741 4.527 0.001 0.000 0.292 512 F C 1.684 177.451 175.800 -0.055 0.000 1.096 512 F CA 0.088 58.051 58.000 -0.062 0.000 1.438 512 F CB -0.065 38.934 39.000 -0.001 0.000 1.107 512 F HN 0.692 nan 8.300 nan 0.000 0.546 513 I N 1.817 122.405 120.570 0.029 0.000 2.623 513 I HA -0.313 3.857 4.170 0.001 0.000 0.261 513 I C 2.517 178.609 176.117 -0.042 0.000 1.204 513 I CA 1.271 62.564 61.300 -0.011 0.000 1.444 513 I CB -0.515 37.500 38.000 0.026 0.000 1.094 513 I HN 0.154 nan 8.210 nan 0.000 0.451 514 R N -0.439 119.970 120.500 -0.152 0.000 2.113 514 R HA -0.279 4.061 4.340 0.001 0.000 0.244 514 R C 2.003 178.144 176.300 -0.265 0.000 1.142 514 R CA 2.302 58.270 56.100 -0.219 0.000 0.953 514 R CB -1.631 28.393 30.300 -0.459 0.000 0.860 514 R HN 0.328 nan 8.270 nan 0.000 0.438 515 Y N -0.168 120.001 120.300 -0.217 0.000 2.333 515 Y HA -0.174 4.376 4.550 0.001 0.000 0.290 515 Y C 2.315 178.151 175.900 -0.107 0.000 1.144 515 Y CA 1.030 58.998 58.100 -0.220 0.000 1.228 515 Y CB -0.654 37.533 38.460 -0.455 0.000 0.985 515 Y HN 0.178 nan 8.280 nan 0.000 0.542 516 Y N 0.703 120.960 120.300 -0.072 0.000 2.153 516 Y HA -0.225 4.326 4.550 0.001 0.000 0.289 516 Y C 2.844 178.633 175.900 -0.185 0.000 1.119 516 Y CA 1.991 60.044 58.100 -0.080 0.000 1.116 516 Y CB -0.469 37.950 38.460 -0.068 0.000 1.004 516 Y HN 0.171 nan 8.280 nan 0.000 0.501 517 T N -0.389 114.193 114.554 0.047 0.000 2.833 517 T HA -0.222 4.128 4.350 0.001 0.000 0.269 517 T C 2.049 176.270 174.700 -0.799 0.000 1.054 517 T CA 1.388 63.237 62.100 -0.419 0.000 1.135 517 T CB -0.581 67.968 68.868 -0.532 0.000 0.869 517 T HN 0.465 nan 8.240 nan 0.000 0.466 518 R N 1.003 121.310 120.500 -0.321 0.000 2.080 518 R HA -0.137 4.203 4.340 0.001 0.000 0.236 518 R C 2.345 178.537 176.300 -0.180 0.000 1.137 518 R CA 2.167 58.190 56.100 -0.128 0.000 0.943 518 R CB -1.282 29.022 30.300 0.007 0.000 0.846 518 R HN 0.413 nan 8.270 nan 0.000 0.431 519 T N 1.856 116.324 114.554 -0.143 0.000 2.635 519 T HA -0.170 4.180 4.350 0.001 0.000 0.267 519 T C 1.803 176.460 174.700 -0.072 0.000 1.040 519 T CA 1.677 63.720 62.100 -0.095 0.000 1.156 519 T CB -0.235 68.589 68.868 -0.074 0.000 0.863 519 T HN 0.105 nan 8.240 nan 0.000 0.430 520 L N -0.246 120.859 121.223 -0.197 0.000 2.083 520 L HA -0.031 4.309 4.340 0.001 0.000 0.209 520 L C 2.184 178.993 176.870 -0.101 0.000 1.083 520 L CA 1.555 56.323 54.840 -0.120 0.000 0.752 520 L CB -0.930 41.023 42.059 -0.178 0.000 0.899 520 L HN 0.283 nan 8.230 nan 0.000 0.433 521 Y N 0.435 120.553 120.300 -0.303 0.000 2.070 521 Y HA -0.328 4.222 4.550 0.001 0.000 0.280 521 Y C 2.726 178.085 175.900 -0.901 0.000 1.148 521 Y CA 1.491 59.182 58.100 -0.683 0.000 1.125 521 Y CB -1.387 36.539 38.460 -0.890 0.000 0.975 521 Y HN 0.441 nan 8.280 nan 0.000 0.492 522 Q N -1.259 118.222 119.800 -0.531 0.000 2.217 522 Q HA -0.232 4.108 4.340 0.001 0.000 0.209 522 Q C 1.774 177.496 176.000 -0.463 0.000 0.988 522 Q CA 2.179 57.677 55.803 -0.509 0.000 0.878 522 Q CB -1.020 27.421 28.738 -0.496 0.000 0.909 522 Q HN 0.373 nan 8.270 nan 0.000 0.424 523 F N 1.269 121.102 119.950 -0.195 0.000 2.234 523 F HA -0.011 4.517 4.527 0.001 0.000 0.296 523 F C 2.438 178.209 175.800 -0.047 0.000 1.089 523 F CA 1.096 59.016 58.000 -0.134 0.000 1.343 523 F CB -0.207 38.711 39.000 -0.137 0.000 1.040 523 F HN 0.070 nan 8.300 nan 0.000 0.498 524 Q N -0.710 119.140 119.800 0.084 0.000 2.084 524 Q HA -0.172 4.168 4.340 0.001 0.000 0.202 524 Q C 2.162 178.280 176.000 0.196 0.000 0.978 524 Q CA 1.388 57.259 55.803 0.114 0.000 0.844 524 Q CB -0.372 28.414 28.738 0.081 0.000 0.898 524 Q HN 0.269 nan 8.270 nan 0.000 0.426 525 F N 1.378 121.322 119.950 -0.011 0.000 2.026 525 F HA -0.248 4.279 4.527 0.001 0.000 0.296 525 F C 2.619 178.396 175.800 -0.039 0.000 1.133 525 F CA 1.534 59.498 58.000 -0.059 0.000 1.188 525 F CB -1.293 37.626 39.000 -0.136 0.000 0.968 525 F HN 0.102 nan 8.300 nan 0.000 0.476 526 Q N 0.532 120.425 119.800 0.155 0.000 2.133 526 Q HA -0.245 4.096 4.340 0.001 0.000 0.208 526 Q C 2.152 178.213 176.000 0.102 0.000 0.991 526 Q CA 2.236 58.084 55.803 0.075 0.000 0.867 526 Q CB -0.493 28.249 28.738 0.008 0.000 0.911 526 Q HN 0.548 nan 8.270 nan 0.000 0.417 527 E N -1.177 119.108 120.200 0.141 0.000 2.015 527 E HA -0.183 4.167 4.350 0.001 0.000 0.191 527 E C 1.839 178.506 176.600 0.112 0.000 0.991 527 E CA 0.959 57.441 56.400 0.136 0.000 0.802 527 E CB -0.318 29.472 29.700 0.149 0.000 0.759 527 E HN 0.463 nan 8.360 nan 0.000 0.447 528 A N 0.629 123.521 122.820 0.120 0.000 1.986 528 A HA -0.200 4.120 4.320 0.001 0.000 0.220 528 A C 2.058 179.682 177.584 0.067 0.000 1.171 528 A CA 1.275 53.370 52.037 0.097 0.000 0.640 528 A CB -0.458 18.609 19.000 0.111 0.000 0.811 528 A HN 0.275 nan 8.150 nan 0.000 0.451 529 L N -1.422 119.837 121.223 0.060 0.000 2.270 529 L HA -0.037 4.303 4.340 0.001 0.000 0.210 529 L C 2.255 179.145 176.870 0.034 0.000 1.104 529 L CA 1.206 56.064 54.840 0.030 0.000 0.804 529 L CB -0.243 41.824 42.059 0.013 0.000 0.937 529 L HN 0.497 nan 8.230 nan 0.000 0.450 530 c N -1.761 116.866 118.600 0.044 0.000 2.495 530 c HA -0.025 4.546 4.570 0.001 0.000 0.275 530 c C 2.668 176.824 174.090 0.110 0.000 1.392 530 c CA -0.069 56.291 56.329 0.051 0.000 1.766 530 c CB -0.490 42.013 42.510 -0.012 0.000 1.933 530 c HN 0.554 nan 8.230 nan 0.000 0.519 531 Q N 1.425 121.279 119.800 0.090 0.000 2.046 531 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 531 Q C 2.365 178.403 176.000 0.063 0.000 0.975 531 Q CA 1.835 57.687 55.803 0.081 0.000 0.836 531 Q CB -0.201 28.581 28.738 0.073 0.000 0.896 531 Q HN 0.648 nan 8.270 nan 0.000 0.428 532 A N 0.265 123.115 122.820 0.051 0.000 1.930 532 A HA 0.023 4.343 4.320 0.001 0.000 0.217 532 A C 2.002 179.606 177.584 0.033 0.000 1.175 532 A CA 1.330 53.387 52.037 0.034 0.000 0.627 532 A CB -0.599 18.413 19.000 0.021 0.000 0.815 532 A HN 0.448 nan 8.150 nan 0.000 0.443 533 A N -0.604 122.242 122.820 0.044 0.000 2.276 533 A HA 0.267 4.587 4.320 0.001 0.000 0.212 533 A C 0.426 178.054 177.584 0.074 0.000 1.230 533 A CA 0.037 52.103 52.037 0.049 0.000 0.844 533 A CB -0.411 18.617 19.000 0.047 0.000 0.860 533 A HN 0.307 nan 8.150 nan 0.000 0.486 534 K N 0.614 121.056 120.400 0.070 0.000 4.838 534 K HA -0.223 4.097 4.320 0.001 0.000 0.300 534 K C -0.555 176.101 176.600 0.093 0.000 0.861 534 K CA 1.038 57.363 56.287 0.064 0.000 0.929 534 K CB -1.683 30.838 32.500 0.034 0.000 1.772 534 K HN 0.889 nan 8.250 nan 0.000 0.422 535 H N 0.174 119.251 119.070 0.011 0.000 2.505 535 H HA 0.265 4.821 4.556 0.001 0.000 0.338 535 H C 0.844 176.171 175.328 -0.001 0.000 1.057 535 H CA -0.568 55.483 56.048 0.006 0.000 1.202 535 H CB 1.055 30.824 29.762 0.013 0.000 1.466 535 H HN 0.337 nan 8.280 nan 0.000 0.499 536 E N 2.937 122.780 120.200 -0.595 0.000 2.057 536 E HA 0.095 4.445 4.350 0.001 0.000 0.190 536 E C 1.188 177.523 176.600 -0.443 0.000 0.969 536 E CA 0.407 56.574 56.400 -0.388 0.000 0.812 536 E CB 0.121 29.684 29.700 -0.228 0.000 0.777 536 E HN 0.814 nan 8.360 nan 0.000 0.455 537 G N 2.182 110.594 108.800 -0.646 0.000 2.661 537 G HA2 0.022 3.982 3.960 0.001 0.000 0.272 537 G HA3 0.022 3.982 3.960 0.001 0.000 0.272 537 G C -2.323 172.518 174.900 -0.098 0.000 1.296 537 G CA -0.815 44.107 45.100 -0.297 0.000 0.998 537 G HN -0.003 nan 8.290 nan 0.000 0.553 538 P HA 0.038 nan 4.420 nan 0.000 0.267 538 P C 1.009 178.315 177.300 0.011 0.000 1.200 538 P CA -0.587 62.487 63.100 -0.043 0.000 0.772 538 P CB 0.648 32.277 31.700 -0.118 0.000 0.855 539 L N 3.148 124.405 121.223 0.056 0.000 2.187 539 L HA -0.192 4.148 4.340 0.001 0.000 0.213 539 L C 1.964 178.856 176.870 0.038 0.000 1.100 539 L CA 1.815 56.713 54.840 0.098 0.000 0.765 539 L CB -1.306 40.851 42.059 0.162 0.000 0.904 539 L HN 0.536 nan 8.230 nan 0.000 0.437 540 H N -1.429 117.547 119.070 -0.156 0.000 2.551 540 H HA 0.051 4.608 4.556 0.001 0.000 0.266 540 H C 1.007 176.288 175.328 -0.078 0.000 0.977 540 H CA 0.541 56.430 56.048 -0.266 0.000 1.163 540 H CB -0.057 29.200 29.762 -0.842 0.000 1.381 540 H HN 0.445 nan 8.280 nan 0.000 0.581 541 K N 0.804 120.935 120.400 -0.449 0.000 2.374 541 K HA 0.104 4.424 4.320 0.001 0.000 0.196 541 K C 0.560 177.073 176.600 -0.145 0.000 1.023 541 K CA -0.058 56.063 56.287 -0.277 0.000 1.103 541 K CB 0.437 32.773 32.500 -0.275 0.000 0.848 541 K HN 0.152 nan 8.250 nan 0.000 0.528 542 c N 2.524 120.913 118.600 -0.352 0.000 2.653 542 c HA 0.128 4.698 4.570 0.001 0.000 0.421 542 c C -0.116 173.837 174.090 -0.228 0.000 1.334 542 c CA -0.110 55.810 56.329 -0.682 0.000 1.885 542 c CB -0.296 41.717 42.510 -0.829 0.000 2.645 542 c HN 0.361 nan 8.230 nan 0.000 0.601 543 D N 4.065 124.393 120.400 -0.120 0.000 2.389 543 D HA 0.256 4.896 4.640 0.001 0.000 0.256 543 D C 0.917 177.254 176.300 0.062 0.000 1.239 543 D CA -0.615 53.394 54.000 0.015 0.000 0.925 543 D CB 0.483 41.352 40.800 0.114 0.000 1.145 543 D HN 0.615 nan 8.370 nan 0.000 0.542 544 I N 0.506 121.113 120.570 0.061 0.000 3.010 544 I HA 0.005 4.176 4.170 0.001 0.000 0.271 544 I C 1.032 177.172 176.117 0.038 0.000 1.293 544 I CA -0.089 61.241 61.300 0.049 0.000 1.452 544 I CB -0.315 37.709 38.000 0.040 0.000 1.082 544 I HN 0.142 nan 8.210 nan 0.000 0.484 545 S N 1.905 117.694 115.700 0.149 0.000 2.550 545 S HA -0.073 4.398 4.470 0.001 0.000 0.285 545 S C 0.999 175.615 174.600 0.026 0.000 1.326 545 S CA 0.894 59.162 58.200 0.113 0.000 1.037 545 S CB -0.339 63.125 63.200 0.440 0.000 0.838 545 S HN 0.814 nan 8.310 nan 0.000 0.519 546 N N -0.029 118.646 118.700 -0.040 0.000 2.765 546 N HA -0.200 4.540 4.740 0.001 0.000 0.248 546 N C -0.612 174.875 175.510 -0.038 0.000 1.063 546 N CA 0.847 53.880 53.050 -0.029 0.000 0.862 546 N CB -0.787 37.710 38.487 0.016 0.000 1.145 546 N HN 0.456 nan 8.380 nan 0.000 0.581 547 S N -0.783 114.884 115.700 -0.055 0.000 2.480 547 S HA 0.413 4.883 4.470 0.001 0.000 0.286 547 S C 1.274 175.833 174.600 -0.068 0.000 1.180 547 S CA 0.114 58.288 58.200 -0.043 0.000 1.075 547 S CB 1.460 64.646 63.200 -0.022 0.000 0.996 547 S HN 0.266 nan 8.310 nan 0.000 0.487 548 T N 1.459 115.980 114.554 -0.055 0.000 3.034 548 T HA 0.111 4.461 4.350 0.001 0.000 0.248 548 T C 1.124 175.791 174.700 -0.055 0.000 1.040 548 T CA 0.436 62.497 62.100 -0.065 0.000 1.107 548 T CB -0.448 68.381 68.868 -0.065 0.000 0.932 548 T HN 0.767 nan 8.240 nan 0.000 0.474 549 E N 1.998 122.175 120.200 -0.038 0.000 2.472 549 E HA 0.241 4.592 4.350 0.001 0.000 0.200 549 E C 2.118 178.702 176.600 -0.025 0.000 1.046 549 E CA 0.630 57.013 56.400 -0.029 0.000 0.871 549 E CB -0.354 29.336 29.700 -0.016 0.000 0.806 549 E HN 0.643 nan 8.360 nan 0.000 0.533 550 A N 1.914 124.715 122.820 -0.031 0.000 1.843 550 A HA 0.103 4.424 4.320 0.001 0.000 0.213 550 A C 2.496 180.054 177.584 -0.042 0.000 1.202 550 A CA 1.133 53.151 52.037 -0.032 0.000 0.607 550 A CB -1.260 17.721 19.000 -0.033 0.000 0.847 550 A HN 0.347 nan 8.150 nan 0.000 0.445 551 G N -0.574 108.194 108.800 -0.054 0.000 2.491 551 G HA2 -0.343 3.617 3.960 0.001 0.000 0.218 551 G HA3 -0.343 3.617 3.960 0.001 0.000 0.218 551 G C 1.611 176.505 174.900 -0.010 0.000 1.180 551 G CA 1.586 46.663 45.100 -0.040 0.000 0.774 551 G HN 0.520 nan 8.290 nan 0.000 0.562 552 Q N 0.567 120.347 119.800 -0.034 0.000 2.029 552 Q HA -0.152 4.188 4.340 0.001 0.000 0.209 552 Q C 2.436 178.445 176.000 0.015 0.000 0.999 552 Q CA 2.354 58.144 55.803 -0.023 0.000 0.857 552 Q CB -0.471 28.240 28.738 -0.044 0.000 0.926 552 Q HN 0.500 nan 8.270 nan 0.000 0.415 553 K N -1.012 119.383 120.400 -0.009 0.000 2.281 553 K HA -0.160 4.160 4.320 0.001 0.000 0.203 553 K C 1.770 178.342 176.600 -0.046 0.000 1.046 553 K CA 1.188 57.466 56.287 -0.015 0.000 0.938 553 K CB -0.180 32.310 32.500 -0.017 0.000 0.737 553 K HN 0.281 nan 8.250 nan 0.000 0.458 554 L N -0.788 120.399 121.223 -0.060 0.000 2.185 554 L HA 0.100 4.441 4.340 0.001 0.000 0.198 554 L C 1.782 178.588 176.870 -0.108 0.000 1.079 554 L CA 1.151 55.902 54.840 -0.149 0.000 0.780 554 L CB -0.717 41.244 42.059 -0.163 0.000 0.955 554 L HN 0.135 nan 8.230 nan 0.000 0.462 555 F N 1.131 120.979 119.950 -0.169 0.000 2.225 555 F HA -0.284 4.244 4.527 0.001 0.000 0.302 555 F C 1.970 177.708 175.800 -0.104 0.000 1.068 555 F CA 1.823 59.736 58.000 -0.144 0.000 1.327 555 F CB -0.555 38.377 39.000 -0.113 0.000 1.043 555 F HN 0.296 nan 8.300 nan 0.000 0.506 556 N N 0.105 118.906 118.700 0.170 0.000 2.272 556 N HA -0.203 4.537 4.740 0.001 0.000 0.185 556 N C 1.594 177.094 175.510 -0.016 0.000 1.014 556 N CA 1.936 55.045 53.050 0.099 0.000 0.870 556 N CB -0.278 38.246 38.487 0.061 0.000 0.975 556 N HN 0.596 nan 8.380 nan 0.000 0.433 557 M N -2.531 117.014 119.600 -0.093 0.000 2.571 557 M HA 0.313 4.794 4.480 0.001 0.000 0.259 557 M C 1.021 177.230 176.300 -0.151 0.000 1.205 557 M CA 0.836 56.080 55.300 -0.093 0.000 1.138 557 M CB -0.101 32.456 32.600 -0.072 0.000 1.329 557 M HN -0.197 nan 8.290 nan 0.000 0.503 558 L N 1.849 122.880 121.223 -0.319 0.000 2.191 558 L HA -0.001 4.340 4.340 0.001 0.000 0.212 558 L C 2.691 179.426 176.870 -0.225 0.000 1.103 558 L CA 1.913 56.506 54.840 -0.411 0.000 0.769 558 L CB -0.917 40.790 42.059 -0.587 0.000 0.908 558 L HN 0.647 nan 8.230 nan 0.000 0.438 559 R N -1.846 118.390 120.500 -0.440 0.000 2.299 559 R HA -0.017 4.323 4.340 0.001 0.000 0.197 559 R C 1.510 177.776 176.300 -0.058 0.000 0.971 559 R CA 0.569 56.456 56.100 -0.354 0.000 1.030 559 R CB -0.253 29.765 30.300 -0.469 0.000 0.932 559 R HN 0.173 nan 8.270 nan 0.000 0.477 560 L N 0.818 122.031 121.223 -0.016 0.000 2.127 560 L HA 0.253 4.593 4.340 0.001 0.000 0.203 560 L C 1.642 178.495 176.870 -0.028 0.000 1.080 560 L CA 1.524 56.354 54.840 -0.016 0.000 0.768 560 L CB -0.953 41.083 42.059 -0.038 0.000 0.924 560 L HN 0.501 nan 8.230 nan 0.000 0.444 561 G N 0.047 108.867 108.800 0.033 0.000 2.581 561 G HA2 -0.382 3.578 3.960 0.001 0.000 0.291 561 G HA3 -0.382 3.578 3.960 0.001 0.000 0.291 561 G C 0.990 175.760 174.900 -0.215 0.000 1.277 561 G CA 0.430 45.407 45.100 -0.205 0.000 0.959 561 G HN 0.197 nan 8.290 nan 0.000 0.554 562 K N 1.091 121.321 120.400 -0.284 0.000 2.574 562 K HA 0.008 4.328 4.320 0.001 0.000 0.193 562 K C 2.870 179.389 176.600 -0.136 0.000 1.035 562 K CA 1.319 57.486 56.287 -0.200 0.000 0.982 562 K CB -0.323 32.059 32.500 -0.198 0.000 0.795 562 K HN 0.640 nan 8.250 nan 0.000 0.491 563 S N 0.250 115.875 115.700 -0.124 0.000 2.383 563 S HA -0.115 4.356 4.470 0.001 0.000 0.229 563 S C 0.829 175.382 174.600 -0.078 0.000 1.030 563 S CA 0.862 59.011 58.200 -0.085 0.000 1.002 563 S CB 0.154 63.313 63.200 -0.068 0.000 0.829 563 S HN 0.158 nan 8.310 nan 0.000 0.467 564 E N 1.304 121.450 120.200 -0.090 0.000 2.303 564 E HA 0.550 4.901 4.350 0.001 0.000 0.254 564 E C -2.905 173.644 176.600 -0.085 0.000 0.979 564 E CA -2.513 53.827 56.400 -0.099 0.000 0.843 564 E CB 0.244 29.872 29.700 -0.120 0.000 1.245 564 E HN 0.186 nan 8.360 nan 0.000 0.413 565 P HA 0.061 nan 4.420 nan 0.000 0.286 565 P C 1.040 178.278 177.300 -0.104 0.000 1.269 565 P CA -0.479 62.581 63.100 -0.067 0.000 0.787 565 P CB 0.212 31.859 31.700 -0.088 0.000 0.920 566 W N 3.206 124.426 121.300 -0.134 0.000 2.290 566 W HA -0.275 4.385 4.660 0.001 0.000 0.311 566 W C 0.955 177.518 176.519 0.075 0.000 1.238 566 W CA 2.287 59.518 57.345 -0.189 0.000 1.255 566 W CB -2.830 26.500 29.460 -0.217 0.000 1.145 566 W HN 0.356 nan 8.180 nan 0.000 0.506 567 T N 0.388 114.482 114.554 -0.767 0.000 2.680 567 T HA -0.319 4.032 4.350 0.001 0.000 0.268 567 T C 2.092 176.824 174.700 0.053 0.000 1.033 567 T CA 2.212 63.977 62.100 -0.559 0.000 1.152 567 T CB -1.042 67.450 68.868 -0.626 0.000 0.859 567 T HN 0.347 nan 8.240 nan 0.000 0.452 568 L N 0.475 121.789 121.223 0.151 0.000 2.068 568 L HA 0.191 4.531 4.340 0.001 0.000 0.204 568 L C 3.096 180.031 176.870 0.109 0.000 1.076 568 L CA 1.219 56.156 54.840 0.162 0.000 0.753 568 L CB -0.791 41.129 42.059 -0.231 0.000 0.910 568 L HN 0.404 nan 8.230 nan 0.000 0.439 569 A N 0.074 122.940 122.820 0.076 0.000 1.883 569 A HA -0.279 4.041 4.320 0.001 0.000 0.217 569 A C 2.132 179.869 177.584 0.255 0.000 1.186 569 A CA 2.045 54.149 52.037 0.111 0.000 0.624 569 A CB -0.894 18.114 19.000 0.013 0.000 0.822 569 A HN 0.471 nan 8.150 nan 0.000 0.444 570 L N 0.078 121.550 121.223 0.415 0.000 2.046 570 L HA -0.150 4.190 4.340 0.001 0.000 0.208 570 L C 2.278 179.310 176.870 0.269 0.000 1.077 570 L CA 2.761 57.873 54.840 0.454 0.000 0.747 570 L CB -0.645 41.722 42.059 0.514 0.000 0.896 570 L HN 0.607 nan 8.230 nan 0.000 0.432 571 E N -0.336 119.990 120.200 0.210 0.000 2.085 571 E HA -0.303 4.047 4.350 0.001 0.000 0.194 571 E C 1.826 178.502 176.600 0.127 0.000 0.994 571 E CA 1.595 58.092 56.400 0.161 0.000 0.801 571 E CB -0.191 29.620 29.700 0.185 0.000 0.743 571 E HN 0.642 nan 8.360 nan 0.000 0.453 572 N N -0.663 118.103 118.700 0.111 0.000 2.417 572 N HA -0.171 4.569 4.740 0.001 0.000 0.187 572 N C 1.384 176.915 175.510 0.035 0.000 1.027 572 N CA 1.592 54.679 53.050 0.062 0.000 0.891 572 N CB 0.253 38.763 38.487 0.037 0.000 0.956 572 N HN 0.145 nan 8.380 nan 0.000 0.442 573 V N -2.373 117.567 119.914 0.044 0.000 2.996 573 V HA 0.087 4.208 4.120 0.001 0.000 0.235 573 V C 1.874 178.012 176.094 0.073 0.000 1.205 573 V CA 0.553 62.858 62.300 0.007 0.000 1.225 573 V CB -0.437 31.316 31.823 -0.117 0.000 0.995 573 V HN 0.169 nan 8.190 nan 0.000 0.484 574 V N -0.845 119.151 119.914 0.137 0.000 3.052 574 V HA 0.550 4.670 4.120 0.001 0.000 0.254 574 V C 1.762 177.924 176.094 0.113 0.000 1.100 574 V CA 1.372 63.761 62.300 0.148 0.000 1.112 574 V CB -0.323 31.621 31.823 0.201 0.000 0.738 574 V HN 1.142 nan 8.190 nan 0.000 0.469 575 G N 0.077 108.939 108.800 0.104 0.000 2.143 575 G HA2 -0.047 3.913 3.960 0.001 0.000 0.249 575 G HA3 -0.047 3.913 3.960 0.001 0.000 0.249 575 G C 0.245 175.193 174.900 0.080 0.000 0.981 575 G CA 0.385 45.535 45.100 0.084 0.000 0.665 575 G HN 1.674 nan 8.290 nan 0.000 0.528 576 A N -0.704 122.178 122.820 0.102 0.000 2.320 576 A HA 0.842 5.163 4.320 0.001 0.000 0.334 576 A C 0.862 178.490 177.584 0.074 0.000 1.147 576 A CA -0.033 52.059 52.037 0.091 0.000 0.820 576 A CB 0.953 20.029 19.000 0.126 0.000 1.218 576 A HN 0.181 nan 8.150 nan 0.000 0.482 577 K N 0.221 120.631 120.400 0.017 0.000 2.374 577 K HA 0.127 4.447 4.320 0.001 0.000 0.196 577 K C -0.073 176.511 176.600 -0.027 0.000 1.023 577 K CA 0.155 56.399 56.287 -0.072 0.000 1.103 577 K CB 0.202 32.587 32.500 -0.192 0.000 0.848 577 K HN 0.628 nan 8.250 nan 0.000 0.528 578 N N 0.355 119.130 118.700 0.124 0.000 2.610 578 N HA 0.155 4.896 4.740 0.001 0.000 0.264 578 N C -1.419 174.317 175.510 0.377 0.000 1.348 578 N CA -0.633 52.586 53.050 0.282 0.000 0.819 578 N CB 1.468 40.116 38.487 0.268 0.000 1.521 578 N HN -0.093 nan 8.380 nan 0.000 0.497 579 M N 1.634 121.540 119.600 0.511 0.000 2.252 579 M HA 0.128 4.609 4.480 0.001 0.000 0.348 579 M C -0.766 175.693 176.300 0.266 0.000 1.334 579 M CA 0.545 56.089 55.300 0.406 0.000 1.071 579 M CB -0.009 32.789 32.600 0.330 0.000 1.763 579 M HN 0.421 nan 8.290 nan 0.000 0.452 580 N N 3.613 122.436 118.700 0.205 0.000 2.352 580 N HA 0.239 4.979 4.740 0.001 0.000 0.291 580 N C 0.026 175.605 175.510 0.116 0.000 1.040 580 N CA -0.667 52.479 53.050 0.161 0.000 0.864 580 N CB 2.138 40.714 38.487 0.148 0.000 1.440 580 N HN 0.702 nan 8.380 nan 0.000 0.483 581 V N 4.841 124.816 119.914 0.102 0.000 2.453 581 V HA -0.104 4.016 4.120 0.001 0.000 0.247 581 V C 2.531 178.637 176.094 0.021 0.000 1.048 581 V CA 1.648 63.976 62.300 0.047 0.000 1.049 581 V CB -0.539 31.305 31.823 0.034 0.000 0.672 581 V HN 0.736 nan 8.190 nan 0.000 0.457 582 R N 0.525 121.048 120.500 0.038 0.000 2.113 582 R HA -0.192 4.149 4.340 0.001 0.000 0.244 582 R C -0.129 176.189 176.300 0.029 0.000 1.142 582 R CA 2.563 58.679 56.100 0.026 0.000 0.953 582 R CB -1.661 28.666 30.300 0.046 0.000 0.860 582 R HN 0.464 nan 8.270 nan 0.000 0.438 583 P HA -0.159 nan 4.420 nan 0.000 0.216 583 P C 1.363 178.675 177.300 0.021 0.000 1.150 583 P CA 1.023 64.174 63.100 0.086 0.000 0.837 583 P CB -0.159 31.625 31.700 0.140 0.000 0.786 584 L N -0.877 120.313 121.223 -0.055 0.000 2.017 584 L HA -0.145 4.196 4.340 0.001 0.000 0.208 584 L C 2.103 178.843 176.870 -0.216 0.000 1.073 584 L CA 1.834 56.457 54.840 -0.362 0.000 0.745 584 L CB -1.341 40.577 42.059 -0.234 0.000 0.894 584 L HN -0.149 nan 8.230 nan 0.000 0.432 585 L N -0.241 120.933 121.223 -0.081 0.000 2.083 585 L HA -0.218 4.122 4.340 0.001 0.000 0.209 585 L C 2.233 179.100 176.870 -0.005 0.000 1.083 585 L CA 1.839 56.654 54.840 -0.042 0.000 0.752 585 L CB -0.950 41.050 42.059 -0.099 0.000 0.899 585 L HN 0.436 nan 8.230 nan 0.000 0.433 586 N N -1.056 117.640 118.700 -0.006 0.000 2.244 586 N HA -0.221 4.520 4.740 0.001 0.000 0.183 586 N C 1.857 177.376 175.510 0.015 0.000 1.016 586 N CA 0.729 53.796 53.050 0.027 0.000 0.866 586 N CB -0.093 38.427 38.487 0.055 0.000 0.980 586 N HN 0.261 nan 8.380 nan 0.000 0.430 587 Y N 0.097 120.256 120.300 -0.235 0.000 2.352 587 Y HA -0.067 4.484 4.550 0.001 0.000 0.292 587 Y C 0.410 175.979 175.900 -0.552 0.000 1.136 587 Y CA 1.290 59.144 58.100 -0.410 0.000 1.227 587 Y CB 0.086 38.096 38.460 -0.751 0.000 0.991 587 Y HN -0.022 nan 8.280 nan 0.000 0.545 588 F N -0.749 119.204 119.950 0.005 0.000 2.850 588 F HA 0.227 4.754 4.527 0.001 0.000 0.306 588 F C 1.520 177.347 175.800 0.044 0.000 1.162 588 F CA -0.334 57.662 58.000 -0.006 0.000 1.327 588 F CB 0.251 39.253 39.000 0.004 0.000 0.953 588 F HN -0.088 nan 8.300 nan 0.000 0.507 589 E N 1.941 122.228 120.200 0.146 0.000 2.072 589 E HA -0.055 4.296 4.350 0.001 0.000 0.190 589 E C -0.699 176.016 176.600 0.191 0.000 0.982 589 E CA 1.249 57.757 56.400 0.180 0.000 0.803 589 E CB -0.914 28.858 29.700 0.119 0.000 0.755 589 E HN 0.170 nan 8.360 nan 0.000 0.453 590 P HA -0.116 nan 4.420 nan 0.000 0.217 590 P C 1.369 178.751 177.300 0.138 0.000 1.150 590 P CA 0.759 63.924 63.100 0.109 0.000 0.832 590 P CB 0.012 31.754 31.700 0.070 0.000 0.787 591 L N -1.263 120.056 121.223 0.160 0.000 1.976 591 L HA -0.111 4.229 4.340 0.001 0.000 0.209 591 L C 2.260 179.299 176.870 0.281 0.000 1.071 591 L CA 1.686 56.650 54.840 0.206 0.000 0.746 591 L CB -1.635 40.565 42.059 0.235 0.000 0.890 591 L HN -0.146 nan 8.230 nan 0.000 0.432 592 F N 0.374 120.393 119.950 0.115 0.000 2.106 592 F HA -0.377 4.150 4.527 0.001 0.000 0.299 592 F C 2.591 178.376 175.800 -0.024 0.000 1.082 592 F CA 2.409 60.433 58.000 0.040 0.000 1.244 592 F CB -1.029 37.990 39.000 0.033 0.000 0.997 592 F HN 0.413 nan 8.300 nan 0.000 0.486 593 T N -2.876 111.646 114.554 -0.053 0.000 2.770 593 T HA -0.273 4.078 4.350 0.001 0.000 0.263 593 T C 1.813 176.445 174.700 -0.114 0.000 1.039 593 T CA 1.110 63.093 62.100 -0.195 0.000 1.142 593 T CB -1.582 67.269 68.868 -0.028 0.000 0.868 593 T HN 0.560 nan 8.240 nan 0.000 0.435 594 W N 1.968 123.182 121.300 -0.143 0.000 2.304 594 W HA -0.126 4.534 4.660 0.001 0.000 0.315 594 W C 1.839 178.245 176.519 -0.189 0.000 1.233 594 W CA 1.017 58.289 57.345 -0.123 0.000 1.261 594 W CB -0.599 28.820 29.460 -0.069 0.000 1.150 594 W HN 0.078 nan 8.180 nan 0.000 0.494 595 L N 1.044 122.222 121.223 -0.075 0.000 1.971 595 L HA -0.279 4.062 4.340 0.001 0.000 0.215 595 L C 2.296 178.951 176.870 -0.358 0.000 1.072 595 L CA 2.449 57.125 54.840 -0.274 0.000 0.758 595 L CB -1.985 40.044 42.059 -0.049 0.000 0.889 595 L HN 0.100 nan 8.230 nan 0.000 0.433 596 K N -0.344 119.711 120.400 -0.575 0.000 2.113 596 K HA -0.253 4.068 4.320 0.001 0.000 0.208 596 K C 1.783 178.197 176.600 -0.310 0.000 1.047 596 K CA 1.884 57.794 56.287 -0.629 0.000 0.928 596 K CB -0.222 31.784 32.500 -0.824 0.000 0.716 596 K HN 0.377 nan 8.250 nan 0.000 0.446 597 D N 0.179 120.388 120.400 -0.319 0.000 2.091 597 D HA -0.153 4.487 4.640 0.001 0.000 0.199 597 D C 1.914 178.043 176.300 -0.285 0.000 0.980 597 D CA 1.102 54.949 54.000 -0.255 0.000 0.831 597 D CB 0.131 40.793 40.800 -0.229 0.000 0.987 597 D HN 0.023 nan 8.370 nan 0.000 0.460 598 Q N 0.269 119.787 119.800 -0.469 0.000 2.197 598 Q HA -0.146 4.195 4.340 0.001 0.000 0.207 598 Q C 1.489 177.363 176.000 -0.210 0.000 0.984 598 Q CA 1.132 56.666 55.803 -0.450 0.000 0.869 598 Q CB -0.680 27.588 28.738 -0.783 0.000 0.906 598 Q HN 0.586 nan 8.270 nan 0.000 0.426 599 N N 0.561 119.175 118.700 -0.144 0.000 2.449 599 N HA -0.058 4.683 4.740 0.001 0.000 0.191 599 N C 1.303 176.790 175.510 -0.037 0.000 1.161 599 N CA -0.169 52.861 53.050 -0.033 0.000 0.863 599 N CB 0.142 38.681 38.487 0.087 0.000 0.980 599 N HN 0.040 nan 8.380 nan 0.000 0.458 600 K N 1.765 122.121 120.400 -0.074 0.000 2.090 600 K HA -0.182 4.138 4.320 0.001 0.000 0.218 600 K C 0.772 177.353 176.600 -0.031 0.000 1.055 600 K CA 1.631 57.883 56.287 -0.058 0.000 0.941 600 K CB 0.045 32.502 32.500 -0.071 0.000 0.722 600 K HN 0.263 nan 8.250 nan 0.000 0.458 601 N N -0.572 118.112 118.700 -0.027 0.000 2.177 601 N HA 0.079 4.820 4.740 0.001 0.000 0.218 601 N C -0.734 174.781 175.510 0.008 0.000 1.182 601 N CA -0.006 53.038 53.050 -0.010 0.000 0.882 601 N CB 1.092 39.569 38.487 -0.018 0.000 1.052 601 N HN -0.007 nan 8.380 nan 0.000 0.519 602 S N 0.509 116.214 115.700 0.008 0.000 2.646 602 S HA 0.364 4.835 4.470 0.001 0.000 0.276 602 S C -0.393 174.254 174.600 0.079 0.000 1.222 602 S CA -0.661 57.559 58.200 0.034 0.000 1.014 602 S CB 1.383 64.589 63.200 0.010 0.000 0.991 602 S HN 0.221 nan 8.310 nan 0.000 0.533 603 F N 2.063 121.984 119.950 -0.048 0.000 2.420 603 F HA 0.458 4.985 4.527 0.001 0.000 0.352 603 F C -0.538 175.232 175.800 -0.050 0.000 1.108 603 F CA -0.509 57.459 58.000 -0.052 0.000 1.162 603 F CB 0.514 39.484 39.000 -0.051 0.000 1.118 603 F HN 0.200 nan 8.300 nan 0.000 0.510 604 V N 6.767 126.198 119.914 -0.806 0.000 2.347 604 V HA 0.801 4.921 4.120 0.001 0.000 0.280 604 V C 0.298 175.767 176.094 -1.041 0.000 1.021 604 V CA 0.283 62.157 62.300 -0.711 0.000 0.847 604 V CB 0.317 31.756 31.823 -0.638 0.000 0.990 604 V HN 1.175 nan 8.190 nan 0.000 0.444 605 G N 4.616 112.992 108.800 -0.706 0.000 2.353 605 G HA2 0.147 4.107 3.960 0.001 0.000 0.615 605 G HA3 0.147 4.107 3.960 0.001 0.000 0.615 605 G C -1.529 173.254 174.900 -0.195 0.000 1.280 605 G CA -0.248 44.343 45.100 -0.849 0.000 1.000 605 G HN 1.498 nan 8.290 nan 0.000 0.516 606 W N -1.743 119.623 121.300 0.110 0.000 3.146 606 W HA 0.781 5.442 4.660 0.001 0.000 0.319 606 W C -0.428 176.216 176.519 0.209 0.000 1.258 606 W CA -0.800 56.682 57.345 0.228 0.000 1.189 606 W CB 1.236 30.761 29.460 0.109 0.000 1.412 606 W HN 1.065 nan 8.180 nan 0.000 0.567 607 S N 0.770 116.737 115.700 0.445 0.000 2.429 607 S HA 0.287 4.757 4.470 0.001 0.000 0.302 607 S C 1.220 176.044 174.600 0.373 0.000 1.115 607 S CA 0.208 58.599 58.200 0.318 0.000 1.095 607 S CB 0.921 64.232 63.200 0.185 0.000 0.987 607 S HN 0.696 nan 8.310 nan 0.000 0.474 608 T N 1.453 116.217 114.554 0.350 0.000 2.849 608 T HA -0.138 4.213 4.350 0.001 0.000 0.270 608 T C 0.904 175.732 174.700 0.212 0.000 1.066 608 T CA 1.455 63.728 62.100 0.288 0.000 1.130 608 T CB -0.285 68.733 68.868 0.249 0.000 0.864 608 T HN 0.636 nan 8.240 nan 0.000 0.481 609 D N -0.317 120.201 120.400 0.196 0.000 2.234 609 D HA 0.025 4.665 4.640 0.001 0.000 0.205 609 D C 0.566 176.941 176.300 0.124 0.000 0.962 609 D CA 0.231 54.313 54.000 0.138 0.000 0.855 609 D CB -0.204 40.666 40.800 0.118 0.000 0.951 609 D HN 0.573 nan 8.370 nan 0.000 0.500 610 W N 2.533 123.832 121.300 -0.003 0.000 2.150 610 W HA 0.174 4.834 4.660 0.001 0.000 0.341 610 W C 0.196 176.638 176.519 -0.127 0.000 1.276 610 W CA 0.175 57.487 57.345 -0.055 0.000 1.238 610 W CB 0.630 30.074 29.460 -0.026 0.000 1.128 610 W HN -0.212 nan 8.180 nan 0.000 0.581 611 S N 4.072 119.043 115.700 -1.215 0.000 2.570 611 S HA 0.418 4.888 4.470 0.001 0.000 0.270 611 S C -2.319 171.121 174.600 -1.933 0.000 1.149 611 S CA -1.191 56.168 58.200 -1.402 0.000 0.837 611 S CB 2.153 64.614 63.200 -1.232 0.000 1.124 611 S HN 0.425 nan 8.310 nan 0.000 0.465 612 P HA 0.074 nan 4.420 nan 0.000 0.242 612 P C 0.316 177.367 177.300 -0.416 0.000 1.197 612 P CA 0.585 63.222 63.100 -0.773 0.000 0.765 612 P CB -0.561 31.008 31.700 -0.217 0.000 0.936 613 Y N -2.854 117.229 120.300 -0.362 0.000 2.423 613 Y HA 0.671 5.221 4.550 0.001 0.000 0.257 613 Y C 1.070 176.844 175.900 -0.210 0.000 1.087 613 Y CA -1.015 56.952 58.100 -0.223 0.000 1.258 613 Y CB -1.037 37.307 38.460 -0.193 0.000 1.237 613 Y HN 0.014 nan 8.280 nan 0.000 0.517 614 A N 1.420 124.044 122.820 -0.327 0.000 6.243 614 A HA -0.202 4.118 4.320 0.001 0.000 0.382 614 A C 0.118 177.728 177.584 0.043 0.000 1.885 614 A CA 1.764 53.683 52.037 -0.196 0.000 1.128 614 A CB -2.009 16.863 19.000 -0.213 0.000 1.259 614 A HN 0.862 nan 8.150 nan 0.000 0.486 615 D N 0.000 120.399 120.400 -0.001 0.000 6.856 615 D HA 0.000 4.640 4.640 0.001 0.000 0.175 615 D CA 0.000 54.013 54.000 0.022 0.000 0.868 615 D CB 0.000 40.813 40.800 0.022 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683