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 2ajf_1_A DATA FIRST_RESID 19 DATA SEQUENCE STIEEQAKTF LDKFNHEAED LFYQSSLASW 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 0.000 174.619 174.600 0.032 0.000 1.055 19 S CA 0.000 58.218 58.200 0.029 0.000 1.107 19 S CB 0.000 63.221 63.200 0.035 0.000 0.593 20 T N 2.873 117.445 114.554 0.030 0.000 2.939 20 T HA 0.050 4.402 4.350 0.004 0.000 0.312 20 T C 1.834 176.565 174.700 0.051 0.000 1.064 20 T CA 0.055 62.173 62.100 0.031 0.000 1.136 20 T CB -0.166 68.718 68.868 0.027 0.000 1.035 20 T HN 0.698 nan 8.240 nan 0.000 0.538 21 I N 0.565 121.166 120.570 0.051 0.000 2.800 21 I HA -0.109 4.063 4.170 0.004 0.000 0.266 21 I C 1.694 177.893 176.117 0.137 0.000 1.249 21 I CA 1.373 62.731 61.300 0.096 0.000 1.458 21 I CB -1.170 36.862 38.000 0.053 0.000 1.093 21 I HN 0.822 nan 8.210 nan 0.000 0.466 22 E N 1.339 121.586 120.200 0.077 0.000 2.006 22 E HA -0.299 4.054 4.350 0.004 0.000 0.192 22 E C 2.050 178.684 176.600 0.056 0.000 0.993 22 E CA 1.496 57.930 56.400 0.056 0.000 0.808 22 E CB -0.052 29.668 29.700 0.032 0.000 0.764 22 E HN 0.496 nan 8.360 nan 0.000 0.449 23 E N 0.600 120.833 120.200 0.055 0.000 2.171 23 E HA -0.232 4.121 4.350 0.004 0.000 0.197 23 E C 1.994 178.642 176.600 0.079 0.000 0.997 23 E CA 1.490 57.923 56.400 0.055 0.000 0.810 23 E CB 0.004 29.732 29.700 0.047 0.000 0.738 23 E HN 0.312 nan 8.360 nan 0.000 0.467 24 Q N -0.652 119.221 119.800 0.122 0.000 1.990 24 Q HA -0.111 4.231 4.340 0.004 0.000 0.200 24 Q C 2.271 178.364 176.000 0.156 0.000 0.980 24 Q CA 1.472 57.398 55.803 0.205 0.000 0.832 24 Q CB -0.305 28.628 28.738 0.325 0.000 0.897 24 Q HN 0.399 nan 8.270 nan 0.000 0.427 25 A N 1.348 124.200 122.820 0.054 0.000 1.978 25 A HA -0.241 4.081 4.320 0.004 0.000 0.220 25 A C 1.920 179.444 177.584 -0.100 0.000 1.170 25 A CA 1.579 53.431 52.037 -0.308 0.000 0.636 25 A CB -0.368 18.508 19.000 -0.205 0.000 0.810 25 A HN 0.200 nan 8.150 nan 0.000 0.448 26 K N -1.076 119.317 120.400 -0.012 0.000 2.032 26 K HA -0.122 4.200 4.320 0.004 0.000 0.209 26 K C 2.146 178.763 176.600 0.028 0.000 1.048 26 K CA 1.888 58.181 56.287 0.010 0.000 0.927 26 K CB -0.355 32.159 32.500 0.022 0.000 0.712 26 K HN 0.506 nan 8.250 nan 0.000 0.441 27 T N 0.933 115.520 114.554 0.055 0.000 2.737 27 T HA -0.142 4.210 4.350 0.004 0.000 0.265 27 T C 1.449 176.199 174.700 0.083 0.000 1.038 27 T CA 1.218 63.363 62.100 0.076 0.000 1.144 27 T CB -0.384 68.544 68.868 0.100 0.000 0.866 27 T HN 0.239 nan 8.240 nan 0.000 0.434 28 F N 1.961 121.860 119.950 -0.084 0.000 2.063 28 F HA -0.197 4.333 4.527 0.004 0.000 0.298 28 F C 1.866 177.633 175.800 -0.056 0.000 1.109 28 F CA 1.219 59.148 58.000 -0.117 0.000 1.212 28 F CB -0.423 38.319 39.000 -0.430 0.000 0.973 28 F HN -0.004 nan 8.300 nan 0.000 0.480 29 L N 0.598 121.773 121.223 -0.079 0.000 2.131 29 L HA -0.218 4.124 4.340 0.004 0.000 0.210 29 L C 2.009 178.839 176.870 -0.066 0.000 1.092 29 L CA 1.712 56.474 54.840 -0.130 0.000 0.759 29 L CB -1.624 40.411 42.059 -0.040 0.000 0.903 29 L HN 0.202 nan 8.230 nan 0.000 0.435 30 D N -0.950 119.429 120.400 -0.034 0.000 2.224 30 D HA -0.149 4.494 4.640 0.004 0.000 0.205 30 D C 2.218 178.537 176.300 0.032 0.000 0.965 30 D CA 0.573 54.568 54.000 -0.009 0.000 0.852 30 D CB 0.197 41.023 40.800 0.043 0.000 0.947 30 D HN 0.155 nan 8.370 nan 0.000 0.494 31 K N -0.078 120.323 120.400 0.001 0.000 2.116 31 K HA -0.082 4.240 4.320 0.004 0.000 0.203 31 K C 2.034 178.624 176.600 -0.016 0.000 1.052 31 K CA 0.244 56.544 56.287 0.021 0.000 0.952 31 K CB -0.393 32.100 32.500 -0.011 0.000 0.729 31 K HN 0.123 nan 8.250 nan 0.000 0.446 32 F N 2.640 122.421 119.950 -0.282 0.000 2.046 32 F HA -0.205 4.324 4.527 0.004 0.000 0.297 32 F C 1.726 177.438 175.800 -0.147 0.000 1.123 32 F CA 2.176 60.031 58.000 -0.241 0.000 1.199 32 F CB -0.605 38.126 39.000 -0.449 0.000 0.972 32 F HN 0.171 nan 8.300 nan 0.000 0.474 33 N N -1.191 117.554 118.700 0.076 0.000 2.094 33 N HA -0.263 4.480 4.740 0.004 0.000 0.191 33 N C 1.515 176.839 175.510 -0.310 0.000 1.023 33 N CA 1.702 54.681 53.050 -0.119 0.000 0.857 33 N CB -0.397 38.016 38.487 -0.123 0.000 1.013 33 N HN 0.485 nan 8.380 nan 0.000 0.426 34 H N -0.230 118.769 119.070 -0.118 0.000 2.436 34 H HA 0.037 4.595 4.556 0.004 0.000 0.294 34 H C 1.722 176.934 175.328 -0.193 0.000 1.048 34 H CA 0.682 56.656 56.048 -0.124 0.000 1.353 34 H CB 0.248 29.969 29.762 -0.067 0.000 1.414 34 H HN 0.249 nan 8.280 nan 0.000 0.536 35 E N 0.049 120.174 120.200 -0.126 0.000 2.216 35 E HA -0.033 4.319 4.350 0.004 0.000 0.192 35 E C 1.956 178.227 176.600 -0.547 0.000 0.988 35 E CA 0.573 56.847 56.400 -0.210 0.000 0.834 35 E CB 0.180 29.866 29.700 -0.023 0.000 0.772 35 E HN 0.482 nan 8.360 nan 0.000 0.479 36 A N 0.631 123.047 122.820 -0.674 0.000 1.901 36 A HA -0.065 4.257 4.320 0.004 0.000 0.210 36 A C 1.907 179.166 177.584 -0.542 0.000 1.208 36 A CA 0.926 52.476 52.037 -0.811 0.000 0.644 36 A CB -0.364 17.956 19.000 -1.133 0.000 0.863 36 A HN 0.210 nan 8.150 nan 0.000 0.454 37 E N 0.632 120.462 120.200 -0.617 0.000 2.169 37 E HA -0.293 4.059 4.350 0.004 0.000 0.202 37 E C 1.652 178.248 176.600 -0.008 0.000 1.016 37 E CA 2.010 58.281 56.400 -0.214 0.000 0.817 37 E CB -0.198 29.447 29.700 -0.092 0.000 0.736 37 E HN 0.637 nan 8.360 nan 0.000 0.462 38 D N -0.540 119.817 120.400 -0.072 0.000 2.137 38 D HA -0.104 4.538 4.640 0.004 0.000 0.202 38 D C 2.077 178.390 176.300 0.022 0.000 0.970 38 D CA 0.668 54.672 54.000 0.005 0.000 0.837 38 D CB -0.036 40.743 40.800 -0.035 0.000 0.981 38 D HN 0.309 nan 8.370 nan 0.000 0.475 39 L N 0.194 121.366 121.223 -0.086 0.000 2.156 39 L HA -0.112 4.231 4.340 0.004 0.000 0.208 39 L C 2.333 179.216 176.870 0.023 0.000 1.095 39 L CA 0.585 55.388 54.840 -0.062 0.000 0.770 39 L CB -0.308 41.590 42.059 -0.268 0.000 0.914 39 L HN 0.055 nan 8.230 nan 0.000 0.439 40 F N -0.545 119.280 119.950 -0.209 0.000 2.098 40 F HA -0.297 4.233 4.527 0.004 0.000 0.294 40 F C 2.467 178.137 175.800 -0.217 0.000 1.107 40 F CA 1.568 59.254 58.000 -0.523 0.000 1.234 40 F CB -0.543 38.222 39.000 -0.391 0.000 1.002 40 F HN 0.026 nan 8.300 nan 0.000 0.472 41 Y N 1.519 121.838 120.300 0.032 0.000 2.193 41 Y HA -0.314 4.238 4.550 0.004 0.000 0.285 41 Y C 2.443 178.276 175.900 -0.113 0.000 1.166 41 Y CA 2.215 60.297 58.100 -0.030 0.000 1.181 41 Y CB -0.780 37.689 38.460 0.014 0.000 0.976 41 Y HN 0.273 nan 8.280 nan 0.000 0.520 42 Q N -1.265 118.456 119.800 -0.132 0.000 2.016 42 Q HA -0.197 4.146 4.340 0.004 0.000 0.200 42 Q C 2.621 178.484 176.000 -0.230 0.000 0.978 42 Q CA 1.789 57.484 55.803 -0.180 0.000 0.833 42 Q CB -0.434 28.262 28.738 -0.069 0.000 0.895 42 Q HN 0.444 nan 8.270 nan 0.000 0.427 43 S N -0.010 115.531 115.700 -0.266 0.000 2.351 43 S HA -0.239 4.233 4.470 0.004 0.000 0.220 43 S C 2.090 176.502 174.600 -0.314 0.000 1.035 43 S CA 1.615 59.638 58.200 -0.295 0.000 1.031 43 S CB -0.544 62.388 63.200 -0.446 0.000 0.928 43 S HN 0.362 nan 8.310 nan 0.000 0.433 44 S N 0.667 116.061 115.700 -0.510 0.000 2.425 44 S HA -0.233 4.240 4.470 0.004 0.000 0.256 44 S C 1.759 176.313 174.600 -0.076 0.000 1.101 44 S CA 2.052 60.050 58.200 -0.336 0.000 1.188 44 S CB -0.811 62.144 63.200 -0.409 0.000 1.085 44 S HN 0.561 nan 8.310 nan 0.000 0.439 45 L N 0.091 121.161 121.223 -0.255 0.000 2.109 45 L HA -0.014 4.329 4.340 0.004 0.000 0.207 45 L C 2.474 179.332 176.870 -0.020 0.000 1.086 45 L CA 1.173 55.886 54.840 -0.213 0.000 0.760 45 L CB -0.499 41.295 42.059 -0.441 0.000 0.910 45 L HN 0.425 nan 8.230 nan 0.000 0.437 46 A N -1.205 121.589 122.820 -0.043 0.000 1.855 46 A HA -0.241 4.081 4.320 0.004 0.000 0.215 46 A C 2.459 180.098 177.584 0.092 0.000 1.191 46 A CA 1.784 53.826 52.037 0.009 0.000 0.613 46 A CB -1.048 17.938 19.000 -0.024 0.000 0.829 46 A HN 0.446 nan 8.150 nan 0.000 0.442 47 S N -1.288 114.484 115.700 0.120 0.000 2.380 47 S HA -0.258 4.214 4.470 0.004 0.000 0.229 47 S C 1.812 176.646 174.600 0.390 0.000 1.043 47 S CA 1.893 60.259 58.200 0.277 0.000 1.038 47 S CB -0.602 62.752 63.200 0.256 0.000 0.872 47 S HN 0.699 nan 8.310 nan 0.000 0.456 48 W N 1.807 123.144 121.300 0.061 0.000 2.353 48 W HA -0.198 4.464 4.660 0.004 0.000 0.319 48 W C 1.965 178.358 176.519 -0.210 0.000 1.207 48 W CA 1.751 58.890 57.345 -0.344 0.000 1.291 48 W CB -1.182 27.991 29.460 -0.478 0.000 1.159 48 W HN 0.458 nan 8.180 nan 0.000 0.478 49 N N -0.769 117.911 118.700 -0.033 0.000 2.133 49 N HA -0.327 4.415 4.740 0.004 0.000 0.193 49 N C 1.710 177.148 175.510 -0.120 0.000 1.012 49 N CA 2.321 55.317 53.050 -0.089 0.000 0.871 49 N CB -0.727 37.769 38.487 0.014 0.000 1.011 49 N HN 0.233 nan 8.380 nan 0.000 0.435 50 Y N 1.390 121.600 120.300 -0.150 0.000 2.176 50 Y HA 0.008 4.560 4.550 0.004 0.000 0.291 50 Y C 1.676 177.485 175.900 -0.151 0.000 1.122 50 Y CA 1.367 59.402 58.100 -0.107 0.000 1.128 50 Y CB -0.472 37.971 38.460 -0.028 0.000 1.005 50 Y HN -0.023 nan 8.280 nan 0.000 0.509 51 N N -0.565 117.856 118.700 -0.466 0.000 2.364 51 N HA -0.123 4.620 4.740 0.004 0.000 0.183 51 N C 1.614 176.776 175.510 -0.581 0.000 1.022 51 N CA 1.871 54.587 53.050 -0.556 0.000 0.883 51 N CB -0.259 38.129 38.487 -0.164 0.000 0.965 51 N HN 0.634 nan 8.380 nan 0.000 0.438 52 T N -4.191 109.962 114.554 -0.669 0.000 3.037 52 T HA 0.136 4.488 4.350 0.004 0.000 0.252 52 T C 0.457 174.935 174.700 -0.370 0.000 1.073 52 T CA 0.089 61.838 62.100 -0.584 0.000 1.091 52 T CB 0.151 68.561 68.868 -0.764 0.000 0.935 52 T HN -0.079 nan 8.240 nan 0.000 0.488 53 N N 0.874 119.376 118.700 -0.330 0.000 2.710 53 N HA 0.329 5.071 4.740 0.004 0.000 0.244 53 N C -1.218 174.200 175.510 -0.153 0.000 1.321 53 N CA -0.598 52.334 53.050 -0.198 0.000 0.758 53 N CB 0.230 38.633 38.487 -0.140 0.000 1.284 53 N HN 0.366 nan 8.380 nan 0.000 0.530 54 I N 1.493 121.946 120.570 -0.195 0.000 2.668 54 I HA 0.099 4.272 4.170 0.004 0.000 0.285 54 I C 0.006 176.142 176.117 0.032 0.000 1.168 54 I CA 0.643 61.895 61.300 -0.080 0.000 1.424 54 I CB 0.253 38.193 38.000 -0.099 0.000 1.377 54 I HN 0.280 nan 8.210 nan 0.000 0.560 55 T N 3.529 118.155 114.554 0.120 0.000 3.087 55 T HA 0.059 4.412 4.350 0.004 0.000 0.351 55 T C 0.442 175.192 174.700 0.083 0.000 1.520 55 T CA -0.660 61.484 62.100 0.073 0.000 1.111 55 T CB 1.987 70.879 68.868 0.040 0.000 1.353 55 T HN 0.637 nan 8.240 nan 0.000 0.481 56 E N 1.804 122.035 120.200 0.052 0.000 2.086 56 E HA -0.239 4.114 4.350 0.004 0.000 0.200 56 E C 1.825 178.440 176.600 0.025 0.000 1.012 56 E CA 2.407 58.828 56.400 0.034 0.000 0.812 56 E CB 0.110 29.825 29.700 0.024 0.000 0.743 56 E HN 0.752 nan 8.360 nan 0.000 0.453 57 E N -0.584 119.631 120.200 0.025 0.000 2.072 57 E HA -0.195 4.158 4.350 0.004 0.000 0.191 57 E C 1.631 178.244 176.600 0.022 0.000 0.985 57 E CA 1.436 57.846 56.400 0.018 0.000 0.801 57 E CB -0.145 29.564 29.700 0.014 0.000 0.750 57 E HN 0.330 nan 8.360 nan 0.000 0.452 58 N N -0.198 118.530 118.700 0.046 0.000 2.354 58 N HA -0.097 4.645 4.740 0.004 0.000 0.179 58 N C 1.655 177.206 175.510 0.067 0.000 1.021 58 N CA 0.685 53.779 53.050 0.074 0.000 0.887 58 N CB 0.221 38.771 38.487 0.104 0.000 0.974 58 N HN 0.001 nan 8.380 nan 0.000 0.437 59 V N 0.565 120.500 119.914 0.035 0.000 2.283 59 V HA -0.226 3.896 4.120 0.004 0.000 0.243 59 V C 2.137 178.148 176.094 -0.138 0.000 1.039 59 V CA 1.757 63.962 62.300 -0.158 0.000 1.016 59 V CB -0.240 31.517 31.823 -0.110 0.000 0.650 59 V HN 0.204 nan 8.190 nan 0.000 0.449 60 Q N 0.267 120.032 119.800 -0.059 0.000 2.061 60 Q HA -0.216 4.126 4.340 0.004 0.000 0.204 60 Q C 2.228 178.206 176.000 -0.037 0.000 0.984 60 Q CA 2.430 58.208 55.803 -0.041 0.000 0.846 60 Q CB -0.493 28.236 28.738 -0.016 0.000 0.902 60 Q HN 0.660 nan 8.270 nan 0.000 0.421 61 N N -0.386 118.298 118.700 -0.026 0.000 2.061 61 N HA -0.206 4.536 4.740 0.004 0.000 0.193 61 N C 1.693 177.185 175.510 -0.030 0.000 1.030 61 N CA 1.602 54.641 53.050 -0.018 0.000 0.856 61 N CB -0.235 38.248 38.487 -0.006 0.000 1.023 61 N HN 0.377 nan 8.380 nan 0.000 0.424 62 M N 0.853 120.420 119.600 -0.054 0.000 2.144 62 M HA -0.221 4.261 4.480 0.004 0.000 0.260 62 M C 1.119 177.384 176.300 -0.058 0.000 1.067 62 M CA 1.744 57.004 55.300 -0.067 0.000 1.095 62 M CB -0.181 32.327 32.600 -0.153 0.000 1.365 62 M HN 0.110 nan 8.290 nan 0.000 0.406 63 N N 0.615 119.277 118.700 -0.063 0.000 2.080 63 N HA -0.129 4.613 4.740 0.004 0.000 0.189 63 N C 1.349 176.864 175.510 0.008 0.000 1.036 63 N CA 1.783 54.817 53.050 -0.027 0.000 0.846 63 N CB -0.317 38.150 38.487 -0.033 0.000 1.015 63 N HN 0.414 nan 8.380 nan 0.000 0.423 64 N N 1.120 119.822 118.700 0.004 0.000 2.036 64 N HA -0.170 4.572 4.740 0.004 0.000 0.195 64 N C 1.680 177.213 175.510 0.038 0.000 1.037 64 N CA 1.521 54.584 53.050 0.021 0.000 0.855 64 N CB -0.639 37.855 38.487 0.012 0.000 1.033 64 N HN 0.271 nan 8.380 nan 0.000 0.423 65 A N 0.777 123.610 122.820 0.022 0.000 1.898 65 A HA 0.025 4.348 4.320 0.004 0.000 0.216 65 A C 2.427 180.056 177.584 0.074 0.000 1.181 65 A CA 1.857 53.910 52.037 0.026 0.000 0.620 65 A CB -1.175 17.810 19.000 -0.025 0.000 0.819 65 A HN 0.384 nan 8.150 nan 0.000 0.442 66 G N -0.579 108.257 108.800 0.061 0.000 2.432 66 G HA2 -0.197 3.765 3.960 0.004 0.000 0.219 66 G HA3 -0.197 3.765 3.960 0.004 0.000 0.219 66 G C 1.112 176.157 174.900 0.242 0.000 1.135 66 G CA 1.233 46.408 45.100 0.126 0.000 0.767 66 G HN 0.481 nan 8.290 nan 0.000 0.550 67 D N 0.261 120.759 120.400 0.163 0.000 2.240 67 D HA 0.035 4.677 4.640 0.004 0.000 0.206 67 D C 2.393 178.789 176.300 0.160 0.000 0.963 67 D CA 0.412 54.502 54.000 0.151 0.000 0.863 67 D CB -0.052 40.804 40.800 0.093 0.000 0.973 67 D HN 0.245 nan 8.370 nan 0.000 0.501 68 K N 0.470 120.964 120.400 0.157 0.000 2.152 68 K HA -0.141 4.181 4.320 0.004 0.000 0.206 68 K C 1.955 178.700 176.600 0.241 0.000 1.048 68 K CA 0.715 57.097 56.287 0.159 0.000 0.933 68 K CB 0.077 32.650 32.500 0.120 0.000 0.721 68 K HN 0.334 nan 8.250 nan 0.000 0.447 69 W N 1.998 123.349 121.300 0.084 0.000 2.376 69 W HA -0.232 4.430 4.660 0.004 0.000 0.324 69 W C 2.148 178.802 176.519 0.224 0.000 1.191 69 W CA 2.046 59.469 57.345 0.132 0.000 1.282 69 W CB -0.667 28.852 29.460 0.099 0.000 1.185 69 W HN 0.137 nan 8.180 nan 0.000 0.458 70 S N 1.457 117.189 115.700 0.054 0.000 2.423 70 S HA -0.226 4.246 4.470 0.004 0.000 0.238 70 S C 1.957 176.528 174.600 -0.048 0.000 1.028 70 S CA 1.719 59.873 58.200 -0.076 0.000 1.000 70 S CB -1.087 62.177 63.200 0.105 0.000 0.797 70 S HN 0.375 nan 8.310 nan 0.000 0.487 71 A N 0.770 123.611 122.820 0.035 0.000 1.968 71 A HA 0.207 4.529 4.320 0.004 0.000 0.217 71 A C 1.867 179.473 177.584 0.036 0.000 1.169 71 A CA 0.982 53.043 52.037 0.040 0.000 0.638 71 A CB -0.838 18.204 19.000 0.070 0.000 0.812 71 A HN 0.617 nan 8.150 nan 0.000 0.446 72 F N -0.001 119.880 119.950 -0.114 0.000 2.163 72 F HA -0.068 4.462 4.527 0.004 0.000 0.297 72 F C 1.673 177.367 175.800 -0.176 0.000 1.094 72 F CA 1.253 59.170 58.000 -0.139 0.000 1.290 72 F CB -0.144 38.760 39.000 -0.159 0.000 1.017 72 F HN 0.135 nan 8.300 nan 0.000 0.483 73 L N 0.970 122.052 121.223 -0.234 0.000 2.046 73 L HA -0.184 4.159 4.340 0.004 0.000 0.208 73 L C 2.500 179.279 176.870 -0.151 0.000 1.077 73 L CA 1.626 56.317 54.840 -0.249 0.000 0.747 73 L CB -1.138 40.744 42.059 -0.296 0.000 0.896 73 L HN 0.080 nan 8.230 nan 0.000 0.432 74 K N -0.176 120.158 120.400 -0.109 0.000 2.057 74 K HA -0.212 4.110 4.320 0.004 0.000 0.207 74 K C 2.076 178.638 176.600 -0.063 0.000 1.049 74 K CA 1.498 57.752 56.287 -0.055 0.000 0.931 74 K CB -0.042 32.442 32.500 -0.027 0.000 0.714 74 K HN 0.443 nan 8.250 nan 0.000 0.440 75 E N 0.048 120.188 120.200 -0.101 0.000 2.077 75 E HA -0.190 4.163 4.350 0.004 0.000 0.193 75 E C 1.757 178.305 176.600 -0.087 0.000 0.989 75 E CA 1.033 57.379 56.400 -0.090 0.000 0.800 75 E CB 0.219 29.858 29.700 -0.101 0.000 0.746 75 E HN 0.243 nan 8.360 nan 0.000 0.452 76 Q N -0.006 119.682 119.800 -0.187 0.000 2.245 76 Q HA -0.050 4.292 4.340 0.004 0.000 0.201 76 Q C 2.149 178.215 176.000 0.110 0.000 0.955 76 Q CA 0.850 56.643 55.803 -0.016 0.000 0.870 76 Q CB -0.215 28.474 28.738 -0.082 0.000 0.945 76 Q HN 0.139 nan 8.270 nan 0.000 0.461 77 S N 0.970 116.681 115.700 0.017 0.000 2.355 77 S HA -0.129 4.343 4.470 0.004 0.000 0.222 77 S C 2.032 176.642 174.600 0.017 0.000 1.031 77 S CA 1.951 60.163 58.200 0.020 0.000 0.993 77 S CB -0.243 62.961 63.200 0.007 0.000 0.859 77 S HN 0.628 nan 8.310 nan 0.000 0.453 78 T N 0.005 114.564 114.554 0.008 0.000 2.929 78 T HA 0.009 4.362 4.350 0.004 0.000 0.271 78 T C 1.654 176.358 174.700 0.007 0.000 1.085 78 T CA 0.995 63.097 62.100 0.003 0.000 1.125 78 T CB -0.329 68.537 68.868 -0.002 0.000 0.874 78 T HN 0.251 nan 8.240 nan 0.000 0.494 79 L N 0.885 122.136 121.223 0.045 0.000 2.127 79 L HA 0.448 4.790 4.340 0.004 0.000 0.203 79 L C 2.901 179.715 176.870 -0.093 0.000 1.080 79 L CA 1.288 56.166 54.840 0.064 0.000 0.768 79 L CB -0.798 41.417 42.059 0.260 0.000 0.924 79 L HN 0.315 nan 8.230 nan 0.000 0.444 80 A N -1.395 121.331 122.820 -0.158 0.000 2.015 80 A HA -0.245 4.077 4.320 0.004 0.000 0.219 80 A C 2.151 179.668 177.584 -0.113 0.000 1.163 80 A CA 1.280 53.099 52.037 -0.362 0.000 0.646 80 A CB -0.530 18.350 19.000 -0.201 0.000 0.806 80 A HN 0.479 nan 8.150 nan 0.000 0.448 81 Q N -1.130 118.633 119.800 -0.061 0.000 2.522 81 Q HA -0.034 4.308 4.340 0.004 0.000 0.216 81 Q C 1.650 177.615 176.000 -0.058 0.000 0.986 81 Q CA 1.243 57.023 55.803 -0.039 0.000 0.901 81 Q CB -0.332 28.391 28.738 -0.025 0.000 0.954 81 Q HN 0.729 nan 8.270 nan 0.000 0.502 82 M N -1.406 118.142 119.600 -0.087 0.000 2.382 82 M HA 0.092 4.574 4.480 0.004 0.000 0.247 82 M C -0.736 175.394 176.300 -0.283 0.000 1.104 82 M CA -0.019 55.179 55.300 -0.171 0.000 1.030 82 M CB 0.810 33.286 32.600 -0.207 0.000 1.424 82 M HN -0.008 nan 8.290 nan 0.000 0.486 83 Y N 1.590 121.756 120.300 -0.222 0.000 2.385 83 Y HA 0.309 4.861 4.550 0.004 0.000 0.341 83 Y C -2.151 173.669 175.900 -0.133 0.000 0.965 83 Y CA -2.887 55.098 58.100 -0.191 0.000 1.180 83 Y CB 0.161 38.460 38.460 -0.267 0.000 1.139 83 Y HN -0.022 nan 8.280 nan 0.000 0.502 84 P HA 0.043 nan 4.420 nan 0.000 0.275 84 P C 0.929 178.228 177.300 -0.001 0.000 1.276 84 P CA -0.156 62.933 63.100 -0.017 0.000 0.782 84 P CB 0.628 32.305 31.700 -0.038 0.000 0.851 85 L N 2.671 123.889 121.223 -0.008 0.000 2.079 85 L HA -0.160 4.182 4.340 0.004 0.000 0.210 85 L C 1.541 178.402 176.870 -0.014 0.000 1.081 85 L CA 1.496 56.331 54.840 -0.009 0.000 0.752 85 L CB -0.729 41.322 42.059 -0.014 0.000 0.896 85 L HN 0.182 nan 8.230 nan 0.000 0.433 86 Q N 0.640 120.426 119.800 -0.024 0.000 2.319 86 Q HA -0.109 4.233 4.340 0.004 0.000 0.217 86 Q C 0.651 176.638 176.000 -0.021 0.000 0.924 86 Q CA 0.566 56.352 55.803 -0.028 0.000 0.964 86 Q CB -0.121 28.593 28.738 -0.040 0.000 1.025 86 Q HN 0.666 nan 8.270 nan 0.000 0.465 87 E N -1.148 119.045 120.200 -0.012 0.000 2.794 87 E HA 0.248 4.600 4.350 0.004 0.000 0.203 87 E C -1.213 175.389 176.600 0.004 0.000 0.953 87 E CA -0.025 56.372 56.400 -0.006 0.000 1.284 87 E CB 0.537 30.233 29.700 -0.007 0.000 1.077 87 E HN 0.286 nan 8.360 nan 0.000 0.508 88 I N 1.719 122.290 120.570 0.002 0.000 2.474 88 I HA 0.227 4.399 4.170 0.004 0.000 0.294 88 I C 0.592 176.709 176.117 -0.001 0.000 1.005 88 I CA -0.300 61.002 61.300 0.005 0.000 1.113 88 I CB 1.963 39.966 38.000 0.005 0.000 1.289 88 I HN 0.055 nan 8.210 nan 0.000 0.436 89 Q N 3.546 123.346 119.800 0.001 0.000 2.194 89 Q HA 0.272 4.614 4.340 0.004 0.000 0.214 89 Q C -0.065 175.935 176.000 -0.001 0.000 0.838 89 Q CA -0.164 55.638 55.803 -0.002 0.000 0.972 89 Q CB 0.424 29.161 28.738 -0.002 0.000 1.131 89 Q HN 0.531 nan 8.270 nan 0.000 0.498 90 N N 1.358 120.057 118.700 -0.001 0.000 2.426 90 N HA 0.067 4.809 4.740 0.004 0.000 0.257 90 N C 0.404 175.911 175.510 -0.005 0.000 1.002 90 N CA -0.129 52.920 53.050 -0.002 0.000 0.942 90 N CB 1.508 39.995 38.487 -0.000 0.000 1.112 90 N HN 0.316 nan 8.380 nan 0.000 0.499 91 L N 4.638 125.859 121.223 -0.004 0.000 1.990 91 L HA -0.181 4.161 4.340 0.004 0.000 0.213 91 L C 1.901 178.764 176.870 -0.011 0.000 1.072 91 L CA 2.042 56.879 54.840 -0.006 0.000 0.755 91 L CB -0.895 41.162 42.059 -0.003 0.000 0.889 91 L HN 0.567 nan 8.230 nan 0.000 0.432 92 T N -0.448 114.099 114.554 -0.013 0.000 2.652 92 T HA -0.215 4.138 4.350 0.004 0.000 0.267 92 T C 1.897 176.584 174.700 -0.021 0.000 1.039 92 T CA 2.356 64.445 62.100 -0.018 0.000 1.153 92 T CB -0.805 68.054 68.868 -0.015 0.000 0.863 92 T HN 0.460 nan 8.240 nan 0.000 0.428 93 V N 0.563 120.467 119.914 -0.018 0.000 2.548 93 V HA 0.033 4.156 4.120 0.004 0.000 0.249 93 V C 2.312 178.389 176.094 -0.028 0.000 1.055 93 V CA 1.703 63.989 62.300 -0.024 0.000 1.065 93 V CB -0.785 31.026 31.823 -0.020 0.000 0.681 93 V HN 0.344 nan 8.190 nan 0.000 0.462 94 K N 0.340 120.728 120.400 -0.020 0.000 2.009 94 K HA -0.149 4.173 4.320 0.004 0.000 0.210 94 K C 2.159 178.746 176.600 -0.021 0.000 1.049 94 K CA 2.251 58.528 56.287 -0.018 0.000 0.929 94 K CB -0.438 32.056 32.500 -0.011 0.000 0.714 94 K HN 0.549 nan 8.250 nan 0.000 0.440 95 L N 0.848 122.058 121.223 -0.021 0.000 1.963 95 L HA -0.331 4.011 4.340 0.004 0.000 0.220 95 L C 2.815 179.663 176.870 -0.036 0.000 1.076 95 L CA 1.955 56.780 54.840 -0.025 0.000 0.772 95 L CB -0.558 41.483 42.059 -0.031 0.000 0.892 95 L HN 0.374 nan 8.230 nan 0.000 0.435 96 Q N -0.533 119.239 119.800 -0.047 0.000 2.077 96 Q HA -0.247 4.095 4.340 0.004 0.000 0.206 96 Q C 2.291 178.241 176.000 -0.083 0.000 0.989 96 Q CA 1.789 57.551 55.803 -0.068 0.000 0.853 96 Q CB -0.247 28.449 28.738 -0.070 0.000 0.907 96 Q HN 0.447 nan 8.270 nan 0.000 0.418 97 L N 0.308 121.491 121.223 -0.066 0.000 1.989 97 L HA -0.286 4.056 4.340 0.004 0.000 0.211 97 L C 2.770 179.614 176.870 -0.043 0.000 1.071 97 L CA 1.659 56.461 54.840 -0.064 0.000 0.749 97 L CB -0.751 41.271 42.059 -0.062 0.000 0.890 97 L HN 0.419 nan 8.230 nan 0.000 0.431 98 Q N 0.416 120.201 119.800 -0.024 0.000 2.082 98 Q HA -0.335 4.007 4.340 0.004 0.000 0.211 98 Q C 2.157 178.161 176.000 0.008 0.000 1.002 98 Q CA 2.559 58.362 55.803 -0.000 0.000 0.868 98 Q CB -0.209 28.534 28.738 0.008 0.000 0.931 98 Q HN 0.516 nan 8.270 nan 0.000 0.414 99 A N 1.398 124.212 122.820 -0.009 0.000 1.849 99 A HA -0.223 4.099 4.320 0.004 0.000 0.217 99 A C 2.261 179.844 177.584 -0.002 0.000 1.202 99 A CA 1.735 53.770 52.037 -0.003 0.000 0.629 99 A CB -1.123 17.863 19.000 -0.023 0.000 0.834 99 A HN 0.520 nan 8.150 nan 0.000 0.447 100 L N 0.001 121.192 121.223 -0.053 0.000 2.013 100 L HA -0.235 4.107 4.340 0.004 0.000 0.212 100 L C 2.313 179.176 176.870 -0.010 0.000 1.073 100 L CA 1.934 56.734 54.840 -0.066 0.000 0.753 100 L CB -0.507 41.463 42.059 -0.149 0.000 0.890 100 L HN 0.767 nan 8.230 nan 0.000 0.432 101 Q N 0.031 119.828 119.800 -0.006 0.000 2.294 101 Q HA 0.032 4.375 4.340 0.004 0.000 0.256 101 Q C -0.048 175.978 176.000 0.043 0.000 0.907 101 Q CA -0.085 55.724 55.803 0.010 0.000 0.954 101 Q CB -0.086 28.648 28.738 -0.007 0.000 1.102 101 Q HN 0.417 nan 8.270 nan 0.000 0.429 102 Q N 0.990 120.830 119.800 0.065 0.000 2.323 102 Q HA 0.124 4.467 4.340 0.004 0.000 0.257 102 Q C 0.465 176.521 176.000 0.093 0.000 1.022 102 Q CA -0.254 55.616 55.803 0.112 0.000 0.919 102 Q CB 0.762 29.593 28.738 0.153 0.000 1.220 102 Q HN 0.344 nan 8.270 nan 0.000 0.427 103 N N 2.447 121.198 118.700 0.084 0.000 2.104 103 N HA -0.146 4.596 4.740 0.004 0.000 0.190 103 N C 1.033 176.570 175.510 0.045 0.000 1.024 103 N CA 1.290 54.369 53.050 0.049 0.000 0.853 103 N CB -0.181 38.325 38.487 0.031 0.000 1.008 103 N HN 0.832 nan 8.380 nan 0.000 0.424 104 G N 0.018 108.860 108.800 0.070 0.000 2.561 104 G HA2 -0.362 3.601 3.960 0.004 0.000 0.289 104 G HA3 -0.362 3.601 3.960 0.004 0.000 0.289 104 G C 0.827 175.712 174.900 -0.027 0.000 1.169 104 G CA 0.692 45.822 45.100 0.049 0.000 0.980 104 G HN 0.381 nan 8.290 nan 0.000 0.550 105 S N -0.059 115.628 115.700 -0.022 0.000 2.562 105 S HA 0.194 4.666 4.470 0.004 0.000 0.221 105 S C 2.396 176.970 174.600 -0.044 0.000 0.975 105 S CA 1.489 59.657 58.200 -0.054 0.000 0.918 105 S CB -0.353 62.822 63.200 -0.042 0.000 0.772 105 S HN 1.060 nan 8.310 nan 0.000 0.531 106 S N 0.414 116.100 115.700 -0.024 0.000 2.402 106 S HA -0.009 4.463 4.470 0.004 0.000 0.229 106 S C 1.672 176.252 174.600 -0.033 0.000 1.021 106 S CA 1.001 59.188 58.200 -0.022 0.000 0.974 106 S CB -0.317 62.877 63.200 -0.009 0.000 0.800 106 S HN 0.369 nan 8.310 nan 0.000 0.484 107 V N 1.548 121.438 119.914 -0.040 0.000 3.383 107 V HA 0.155 4.277 4.120 0.004 0.000 0.272 107 V C 0.652 176.708 176.094 -0.064 0.000 1.181 107 V CA 0.759 63.029 62.300 -0.050 0.000 1.171 107 V CB -0.539 31.251 31.823 -0.055 0.000 0.800 107 V HN 0.354 nan 8.190 nan 0.000 0.515 108 L N -0.571 120.611 121.223 -0.068 0.000 2.416 108 L HA 0.399 4.741 4.340 0.004 0.000 0.263 108 L C 0.839 177.675 176.870 -0.057 0.000 1.065 108 L CA -0.449 54.347 54.840 -0.073 0.000 0.798 108 L CB 1.260 43.266 42.059 -0.089 0.000 1.267 108 L HN 0.007 nan 8.230 nan 0.000 0.467 109 S N -0.192 115.474 115.700 -0.057 0.000 2.579 109 S HA -0.041 4.431 4.470 0.004 0.000 0.275 109 S C 0.861 175.437 174.600 -0.041 0.000 1.345 109 S CA -0.442 57.731 58.200 -0.046 0.000 1.031 109 S CB 1.156 64.329 63.200 -0.045 0.000 0.892 109 S HN 0.635 nan 8.310 nan 0.000 0.529 110 E N 1.471 121.651 120.200 -0.033 0.000 2.149 110 E HA -0.269 4.084 4.350 0.004 0.000 0.215 110 E C 0.806 177.389 176.600 -0.029 0.000 1.055 110 E CA 2.305 58.688 56.400 -0.027 0.000 0.870 110 E CB -0.076 29.610 29.700 -0.022 0.000 0.764 110 E HN 0.661 nan 8.360 nan 0.000 0.463 111 D N -1.551 118.830 120.400 -0.032 0.000 2.392 111 D HA 0.034 4.676 4.640 0.004 0.000 0.206 111 D C 1.504 177.779 176.300 -0.042 0.000 1.046 111 D CA 0.162 54.143 54.000 -0.032 0.000 0.865 111 D CB 0.129 40.912 40.800 -0.028 0.000 0.969 111 D HN 0.061 nan 8.370 nan 0.000 0.509 112 K N 0.698 121.068 120.400 -0.050 0.000 2.026 112 K HA -0.098 4.225 4.320 0.004 0.000 0.208 112 K C 2.103 178.659 176.600 -0.074 0.000 1.048 112 K CA 1.222 57.469 56.287 -0.065 0.000 0.929 112 K CB -0.434 32.022 32.500 -0.073 0.000 0.713 112 K HN 0.182 nan 8.250 nan 0.000 0.439 113 S N 1.025 116.685 115.700 -0.067 0.000 2.402 113 S HA -0.100 4.372 4.470 0.004 0.000 0.229 113 S C 2.031 176.601 174.600 -0.050 0.000 1.021 113 S CA 0.903 59.064 58.200 -0.066 0.000 0.974 113 S CB 0.058 63.225 63.200 -0.055 0.000 0.800 113 S HN 0.057 nan 8.310 nan 0.000 0.484 114 K N 1.866 122.243 120.400 -0.039 0.000 1.984 114 K HA 0.001 4.323 4.320 0.004 0.000 0.209 114 K C 2.491 179.074 176.600 -0.029 0.000 1.046 114 K CA 1.731 58.001 56.287 -0.028 0.000 0.934 114 K CB -0.675 31.812 32.500 -0.022 0.000 0.717 114 K HN 0.430 nan 8.250 nan 0.000 0.438 115 R N 1.326 121.805 120.500 -0.034 0.000 2.091 115 R HA -0.130 4.213 4.340 0.004 0.000 0.238 115 R C 2.310 178.588 176.300 -0.037 0.000 1.136 115 R CA 1.418 57.498 56.100 -0.033 0.000 0.959 115 R CB -1.002 29.276 30.300 -0.037 0.000 0.856 115 R HN 0.232 nan 8.270 nan 0.000 0.437 116 L N 1.151 122.339 121.223 -0.058 0.000 1.990 116 L HA -0.209 4.133 4.340 0.004 0.000 0.213 116 L C 1.494 178.339 176.870 -0.040 0.000 1.072 116 L CA 2.118 56.914 54.840 -0.072 0.000 0.755 116 L CB -1.151 40.834 42.059 -0.123 0.000 0.889 116 L HN 0.309 nan 8.230 nan 0.000 0.432 117 N N -0.830 117.850 118.700 -0.034 0.000 2.258 117 N HA -0.169 4.573 4.740 0.004 0.000 0.187 117 N C 1.595 177.104 175.510 -0.002 0.000 1.012 117 N CA 1.852 54.894 53.050 -0.013 0.000 0.870 117 N CB -0.269 38.213 38.487 -0.009 0.000 0.977 117 N HN 0.549 nan 8.380 nan 0.000 0.434 118 T N 1.970 116.520 114.554 -0.006 0.000 2.737 118 T HA 0.004 4.356 4.350 0.004 0.000 0.265 118 T C 2.066 176.769 174.700 0.006 0.000 1.038 118 T CA 0.405 62.505 62.100 -0.001 0.000 1.144 118 T CB 0.101 68.966 68.868 -0.006 0.000 0.866 118 T HN 0.097 nan 8.240 nan 0.000 0.434 119 I N 1.388 121.963 120.570 0.008 0.000 2.076 119 I HA -0.112 4.061 4.170 0.004 0.000 0.237 119 I C 2.489 178.625 176.117 0.032 0.000 1.059 119 I CA 1.431 62.745 61.300 0.025 0.000 1.317 119 I CB -1.370 36.655 38.000 0.042 0.000 1.037 119 I HN 0.238 nan 8.210 nan 0.000 0.398 120 L N 0.641 121.890 121.223 0.043 0.000 2.197 120 L HA -0.284 4.059 4.340 0.004 0.000 0.215 120 L C 2.384 179.256 176.870 0.004 0.000 1.095 120 L CA 1.348 56.209 54.840 0.035 0.000 0.764 120 L CB -0.639 41.442 42.059 0.037 0.000 0.897 120 L HN 0.412 nan 8.230 nan 0.000 0.436 121 N N -0.551 118.156 118.700 0.012 0.000 2.173 121 N HA -0.127 4.616 4.740 0.004 0.000 0.184 121 N C 1.945 177.469 175.510 0.023 0.000 1.025 121 N CA 1.970 55.030 53.050 0.016 0.000 0.852 121 N CB -0.100 38.398 38.487 0.019 0.000 0.998 121 N HN 0.385 nan 8.380 nan 0.000 0.427 122 T N -1.051 113.515 114.554 0.020 0.000 2.857 122 T HA -0.028 4.325 4.350 0.004 0.000 0.266 122 T C 2.204 176.921 174.700 0.028 0.000 1.048 122 T CA 0.817 62.932 62.100 0.024 0.000 1.139 122 T CB -0.267 68.611 68.868 0.016 0.000 0.874 122 T HN 0.068 nan 8.240 nan 0.000 0.455 123 M N 1.696 121.306 119.600 0.016 0.000 2.082 123 M HA -0.150 4.333 4.480 0.004 0.000 0.258 123 M C 2.887 179.206 176.300 0.031 0.000 1.071 123 M CA 2.139 57.445 55.300 0.010 0.000 1.103 123 M CB -0.858 31.726 32.600 -0.027 0.000 1.307 123 M HN 0.475 nan 8.290 nan 0.000 0.409 124 S N -0.272 115.429 115.700 0.002 0.000 2.387 124 S HA -0.168 4.305 4.470 0.004 0.000 0.230 124 S C 1.690 176.377 174.600 0.145 0.000 1.035 124 S CA 2.136 60.353 58.200 0.028 0.000 1.014 124 S CB -0.388 62.815 63.200 0.004 0.000 0.836 124 S HN 0.559 nan 8.310 nan 0.000 0.466 125 T N 2.799 117.419 114.554 0.111 0.000 2.735 125 T HA 0.031 4.383 4.350 0.004 0.000 0.256 125 T C 1.878 176.655 174.700 0.129 0.000 1.042 125 T CA 1.304 63.475 62.100 0.119 0.000 1.147 125 T CB -0.742 68.171 68.868 0.076 0.000 0.865 125 T HN 0.697 nan 8.240 nan 0.000 0.421 126 I N -0.304 120.320 120.570 0.089 0.000 2.530 126 I HA -0.112 4.061 4.170 0.004 0.000 0.257 126 I C 2.230 178.388 176.117 0.069 0.000 1.179 126 I CA 1.160 62.490 61.300 0.050 0.000 1.440 126 I CB -0.772 37.227 38.000 -0.001 0.000 1.087 126 I HN 0.181 nan 8.210 nan 0.000 0.440 127 Y N 2.307 122.625 120.300 0.030 0.000 2.133 127 Y HA -0.208 4.345 4.550 0.004 0.000 0.287 127 Y C 2.767 178.825 175.900 0.263 0.000 1.134 127 Y CA 2.189 60.363 58.100 0.123 0.000 1.133 127 Y CB -0.386 38.171 38.460 0.162 0.000 0.987 127 Y HN 0.369 nan 8.280 nan 0.000 0.502 128 S N -2.036 113.894 115.700 0.383 0.000 2.453 128 S HA -0.100 4.372 4.470 0.004 0.000 0.231 128 S C 1.556 176.264 174.600 0.179 0.000 1.005 128 S CA 1.296 59.675 58.200 0.300 0.000 0.949 128 S CB -0.619 62.770 63.200 0.316 0.000 0.774 128 S HN 0.490 nan 8.310 nan 0.000 0.510 129 T N 1.197 115.835 114.554 0.139 0.000 3.040 129 T HA 0.289 4.641 4.350 0.004 0.000 0.252 129 T C 1.177 175.921 174.700 0.074 0.000 1.064 129 T CA 0.258 62.415 62.100 0.096 0.000 1.110 129 T CB -0.498 68.414 68.868 0.073 0.000 0.921 129 T HN 0.551 nan 8.240 nan 0.000 0.480 130 G N 3.555 112.383 108.800 0.047 0.000 2.202 130 G HA2 0.257 4.219 3.960 0.004 0.000 0.251 130 G HA3 0.257 4.219 3.960 0.004 0.000 0.251 130 G C -0.110 174.848 174.900 0.097 0.000 1.219 130 G CA -0.265 44.830 45.100 -0.009 0.000 0.943 130 G HN 0.543 nan 8.290 nan 0.000 0.465 131 K N 0.362 120.800 120.400 0.064 0.000 2.295 131 K HA 0.781 5.104 4.320 0.004 0.000 0.239 131 K C -0.723 175.922 176.600 0.075 0.000 0.991 131 K CA -1.004 55.342 56.287 0.098 0.000 0.845 131 K CB 2.353 34.900 32.500 0.079 0.000 1.197 131 K HN 0.446 nan 8.250 nan 0.000 0.441 132 V N -2.400 117.574 119.914 0.101 0.000 2.841 132 V HA 0.579 4.701 4.120 0.004 0.000 0.310 132 V C -0.732 175.482 176.094 0.200 0.000 1.090 132 V CA -0.912 61.442 62.300 0.090 0.000 0.930 132 V CB 1.059 32.872 31.823 -0.018 0.000 1.014 132 V HN 0.994 nan 8.190 nan 0.000 0.425 133 c N 2.573 121.321 118.600 0.245 0.000 2.529 133 c HA 0.556 5.129 4.570 0.004 0.000 0.329 133 c C 0.436 174.785 174.090 0.431 0.000 1.194 133 c CA -0.661 55.836 56.329 0.279 0.000 1.779 133 c CB 1.213 43.814 42.510 0.151 0.000 2.322 133 c HN 0.970 nan 8.230 nan 0.000 0.500 134 N N 2.640 121.476 118.700 0.227 0.000 2.353 134 N HA 0.056 4.799 4.740 0.004 0.000 0.248 134 N C -1.545 173.977 175.510 0.021 0.000 1.240 134 N CA -0.448 52.565 53.050 -0.060 0.000 0.862 134 N CB 0.852 39.208 38.487 -0.218 0.000 1.086 134 N HN 0.496 nan 8.380 nan 0.000 0.453 135 P HA 0.004 nan 4.420 nan 0.000 0.245 135 P C 0.110 177.397 177.300 -0.022 0.000 1.212 135 P CA 0.732 63.859 63.100 0.045 0.000 0.774 135 P CB 0.398 32.147 31.700 0.082 0.000 0.999 136 D N -1.988 118.362 120.400 -0.083 0.000 2.504 136 D HA -0.025 4.618 4.640 0.004 0.000 0.276 136 D C 0.455 176.724 176.300 -0.051 0.000 1.073 136 D CA 0.216 54.177 54.000 -0.065 0.000 0.905 136 D CB -1.034 39.713 40.800 -0.089 0.000 1.350 136 D HN 0.023 nan 8.370 nan 0.000 0.496 137 N N 1.013 119.673 118.700 -0.068 0.000 2.707 137 N HA 0.214 4.956 4.740 0.004 0.000 0.235 137 N C -2.171 173.332 175.510 -0.012 0.000 1.028 137 N CA -1.560 51.465 53.050 -0.041 0.000 0.906 137 N CB 1.779 40.231 38.487 -0.057 0.000 1.131 137 N HN -0.187 nan 8.380 nan 0.000 0.509 138 P HA -0.067 nan 4.420 nan 0.000 0.242 138 P C 0.827 178.146 177.300 0.032 0.000 1.197 138 P CA 0.713 63.831 63.100 0.029 0.000 0.765 138 P CB 0.175 31.890 31.700 0.025 0.000 0.936 139 Q N -0.746 119.067 119.800 0.022 0.000 2.339 139 Q HA 0.057 4.399 4.340 0.004 0.000 0.205 139 Q C 0.798 176.817 176.000 0.031 0.000 0.925 139 Q CA 0.255 56.073 55.803 0.024 0.000 0.898 139 Q CB -0.199 28.548 28.738 0.015 0.000 1.013 139 Q HN 0.230 nan 8.270 nan 0.000 0.504 140 E N 1.130 121.348 120.200 0.030 0.000 2.052 140 E HA 0.241 4.594 4.350 0.004 0.000 0.283 140 E C -1.412 175.238 176.600 0.082 0.000 1.071 140 E CA -0.444 55.981 56.400 0.042 0.000 0.851 140 E CB 0.672 30.384 29.700 0.020 0.000 1.066 140 E HN 0.278 nan 8.360 nan 0.000 0.396 141 c N 5.835 124.490 118.600 0.091 0.000 2.369 141 c HA 0.497 5.070 4.570 0.004 0.000 0.322 141 c C -0.040 174.123 174.090 0.122 0.000 1.258 141 c CA -0.870 55.533 56.329 0.122 0.000 1.487 141 c CB 0.206 42.772 42.510 0.095 0.000 2.165 141 c HN 0.693 nan 8.230 nan 0.000 0.483 142 L N 3.232 124.550 121.223 0.158 0.000 2.322 142 L HA 0.572 4.914 4.340 0.004 0.000 0.279 142 L C -0.310 176.619 176.870 0.099 0.000 1.036 142 L CA -0.608 54.308 54.840 0.126 0.000 0.807 142 L CB 1.157 43.311 42.059 0.159 0.000 1.226 142 L HN 0.420 nan 8.230 nan 0.000 0.433 143 L N 1.332 122.596 121.223 0.069 0.000 2.375 143 L HA 0.255 4.598 4.340 0.004 0.000 0.268 143 L C 0.688 177.545 176.870 -0.022 0.000 1.058 143 L CA 0.113 54.992 54.840 0.064 0.000 0.803 143 L CB 1.512 43.607 42.059 0.059 0.000 1.212 143 L HN 0.496 nan 8.230 nan 0.000 0.451 144 L N 0.961 122.119 121.223 -0.109 0.000 2.042 144 L HA -0.035 4.307 4.340 0.004 0.000 0.210 144 L C 0.352 177.102 176.870 -0.201 0.000 1.076 144 L CA 1.486 56.092 54.840 -0.390 0.000 0.749 144 L CB -0.028 41.558 42.059 -0.789 0.000 0.893 144 L HN 0.681 nan 8.230 nan 0.000 0.432 145 E N -0.887 119.267 120.200 -0.077 0.000 2.165 145 E HA 0.339 4.692 4.350 0.004 0.000 0.266 145 E C -2.108 174.500 176.600 0.013 0.000 0.889 145 E CA -2.420 53.971 56.400 -0.014 0.000 0.756 145 E CB 1.240 30.958 29.700 0.031 0.000 1.131 145 E HN 0.091 nan 8.360 nan 0.000 0.411 146 P HA 0.347 nan 4.420 nan 0.000 0.275 146 P C 0.785 178.078 177.300 -0.013 0.000 1.290 146 P CA 0.802 63.903 63.100 0.003 0.000 0.746 146 P CB -0.189 31.521 31.700 0.017 0.000 1.708 147 G N -0.121 108.682 108.800 0.006 0.000 4.156 147 G HA2 -0.395 3.568 3.960 0.004 0.000 0.222 147 G HA3 -0.395 3.568 3.960 0.004 0.000 0.222 147 G C 1.139 176.044 174.900 0.009 0.000 1.624 147 G CA 1.168 46.280 45.100 0.019 0.000 1.618 147 G HN 0.506 nan 8.290 nan 0.000 0.769 148 L N 0.947 122.147 121.223 -0.038 0.000 2.068 148 L HA 0.328 4.670 4.340 0.004 0.000 0.204 148 L C 2.219 178.994 176.870 -0.159 0.000 1.076 148 L CA 2.649 57.432 54.840 -0.094 0.000 0.753 148 L CB -0.627 41.321 42.059 -0.185 0.000 0.910 148 L HN 0.489 nan 8.230 nan 0.000 0.439 149 N N -1.174 117.409 118.700 -0.194 0.000 2.512 149 N HA -0.168 4.574 4.740 0.004 0.000 0.183 149 N C 1.740 177.205 175.510 -0.075 0.000 1.073 149 N CA 0.277 53.218 53.050 -0.183 0.000 0.911 149 N CB 0.127 38.514 38.487 -0.166 0.000 0.964 149 N HN 0.310 nan 8.380 nan 0.000 0.447 150 E N 0.428 120.604 120.200 -0.040 0.000 2.112 150 E HA -0.083 4.269 4.350 0.004 0.000 0.190 150 E C 1.685 178.292 176.600 0.011 0.000 0.979 150 E CA 0.466 56.865 56.400 -0.001 0.000 0.814 150 E CB 0.168 29.875 29.700 0.011 0.000 0.762 150 E HN 0.336 nan 8.360 nan 0.000 0.460 151 I N 1.275 121.853 120.570 0.013 0.000 2.113 151 I HA -0.267 3.906 4.170 0.004 0.000 0.238 151 I C 2.310 178.438 176.117 0.020 0.000 1.070 151 I CA 1.067 62.390 61.300 0.039 0.000 1.332 151 I CB -1.045 37.005 38.000 0.082 0.000 1.044 151 I HN 0.190 nan 8.210 nan 0.000 0.402 152 M N 0.104 119.691 119.600 -0.022 0.000 2.530 152 M HA -0.120 4.363 4.480 0.004 0.000 0.261 152 M C 1.893 178.187 176.300 -0.010 0.000 1.067 152 M CA 1.122 56.399 55.300 -0.038 0.000 1.071 152 M CB -1.352 31.172 32.600 -0.126 0.000 1.405 152 M HN 0.300 nan 8.290 nan 0.000 0.478 153 A N -1.394 121.430 122.820 0.008 0.000 2.259 153 A HA 0.145 4.467 4.320 0.004 0.000 0.213 153 A C 1.688 179.299 177.584 0.046 0.000 1.209 153 A CA 0.408 52.467 52.037 0.036 0.000 0.910 153 A CB -0.013 19.012 19.000 0.043 0.000 0.946 153 A HN 0.490 nan 8.150 nan 0.000 0.497 154 N N -1.342 117.382 118.700 0.040 0.000 2.594 154 N HA 0.085 4.828 4.740 0.004 0.000 0.237 154 N C 0.611 176.150 175.510 0.048 0.000 1.057 154 N CA 0.457 53.534 53.050 0.044 0.000 0.883 154 N CB 0.409 38.920 38.487 0.040 0.000 1.538 154 N HN 0.186 nan 8.380 nan 0.000 0.451 155 S N 0.458 116.189 115.700 0.052 0.000 2.558 155 S HA 0.045 4.518 4.470 0.004 0.000 0.291 155 S C 0.492 175.146 174.600 0.089 0.000 1.306 155 S CA 0.041 58.280 58.200 0.064 0.000 1.056 155 S CB 0.308 63.549 63.200 0.069 0.000 0.836 155 S HN 0.185 nan 8.310 nan 0.000 0.504 156 L N 3.319 124.601 121.223 0.099 0.000 2.808 156 L HA 0.412 4.754 4.340 0.004 0.000 0.246 156 L C 0.239 177.252 176.870 0.238 0.000 1.153 156 L CA 0.079 55.011 54.840 0.153 0.000 0.956 156 L CB 0.175 42.250 42.059 0.027 0.000 1.270 156 L HN 0.594 nan 8.230 nan 0.000 0.528 157 D N -1.333 119.164 120.400 0.162 0.000 2.393 157 D HA -0.007 4.635 4.640 0.004 0.000 0.232 157 D C 1.173 177.552 176.300 0.131 0.000 1.192 157 D CA -0.205 53.887 54.000 0.153 0.000 0.882 157 D CB 0.522 41.383 40.800 0.101 0.000 1.038 157 D HN 0.157 nan 8.370 nan 0.000 0.499 158 Y N 4.437 124.731 120.300 -0.011 0.000 2.102 158 Y HA -0.362 4.190 4.550 0.004 0.000 0.280 158 Y C 1.568 177.420 175.900 -0.080 0.000 1.178 158 Y CA 1.876 59.831 58.100 -0.243 0.000 1.146 158 Y CB -0.029 38.074 38.460 -0.595 0.000 0.968 158 Y HN 0.466 nan 8.280 nan 0.000 0.504 159 N N 0.241 119.028 118.700 0.145 0.000 2.080 159 N HA -0.199 4.543 4.740 0.004 0.000 0.189 159 N C 1.914 177.481 175.510 0.094 0.000 1.036 159 N CA 1.494 54.613 53.050 0.116 0.000 0.846 159 N CB -0.673 37.914 38.487 0.167 0.000 1.015 159 N HN 0.547 nan 8.380 nan 0.000 0.423 160 E N 1.289 121.549 120.200 0.101 0.000 2.108 160 E HA -0.224 4.128 4.350 0.004 0.000 0.203 160 E C 1.933 178.662 176.600 0.214 0.000 1.022 160 E CA 1.297 57.782 56.400 0.141 0.000 0.823 160 E CB 0.084 29.840 29.700 0.094 0.000 0.744 160 E HN 0.307 nan 8.360 nan 0.000 0.456 161 R N -0.114 120.447 120.500 0.102 0.000 2.073 161 R HA -0.162 4.180 4.340 0.004 0.000 0.234 161 R C 2.583 178.957 176.300 0.124 0.000 1.134 161 R CA 1.213 57.367 56.100 0.089 0.000 0.952 161 R CB -0.465 29.813 30.300 -0.037 0.000 0.850 161 R HN 0.205 nan 8.270 nan 0.000 0.433 162 L N 0.285 121.510 121.223 0.004 0.000 2.079 162 L HA -0.170 4.172 4.340 0.004 0.000 0.210 162 L C 1.994 178.887 176.870 0.039 0.000 1.081 162 L CA 1.644 56.327 54.840 -0.262 0.000 0.752 162 L CB -0.627 41.132 42.059 -0.501 0.000 0.896 162 L HN 0.262 nan 8.230 nan 0.000 0.433 163 W N 0.459 121.747 121.300 -0.021 0.000 2.354 163 W HA -0.183 4.479 4.660 0.004 0.000 0.315 163 W C 2.385 178.948 176.519 0.073 0.000 1.206 163 W CA 2.590 59.954 57.345 0.033 0.000 1.290 163 W CB -0.674 28.800 29.460 0.024 0.000 1.152 163 W HN 0.224 nan 8.180 nan 0.000 0.489 164 A N -0.320 122.474 122.820 -0.044 0.000 1.940 164 A HA -0.239 4.083 4.320 0.004 0.000 0.219 164 A C 1.788 179.252 177.584 -0.200 0.000 1.176 164 A CA 1.730 53.578 52.037 -0.315 0.000 0.631 164 A CB -1.740 17.251 19.000 -0.015 0.000 0.814 164 A HN 0.670 nan 8.150 nan 0.000 0.446 165 W N 0.564 121.746 121.300 -0.196 0.000 2.355 165 W HA -0.160 4.503 4.660 0.004 0.000 0.309 165 W C 2.139 178.614 176.519 -0.073 0.000 1.206 165 W CA 2.045 59.313 57.345 -0.130 0.000 1.284 165 W CB -0.053 29.352 29.460 -0.091 0.000 1.145 165 W HN 0.395 nan 8.180 nan 0.000 0.502 166 E N -0.083 120.204 120.200 0.146 0.000 2.107 166 E HA -0.130 4.222 4.350 0.004 0.000 0.191 166 E C 2.160 178.694 176.600 -0.109 0.000 0.982 166 E CA 2.051 58.494 56.400 0.071 0.000 0.809 166 E CB -0.492 29.321 29.700 0.188 0.000 0.756 166 E HN 0.129 nan 8.360 nan 0.000 0.459 167 S N 0.455 115.979 115.700 -0.294 0.000 2.359 167 S HA -0.174 4.298 4.470 0.004 0.000 0.224 167 S C 1.550 176.033 174.600 -0.195 0.000 1.035 167 S CA 1.164 59.154 58.200 -0.350 0.000 1.018 167 S CB -0.795 61.929 63.200 -0.794 0.000 0.876 167 S HN 0.522 nan 8.310 nan 0.000 0.448 168 W N 2.444 123.511 121.300 -0.388 0.000 2.333 168 W HA -0.164 4.498 4.660 0.004 0.000 0.316 168 W C 2.186 178.563 176.519 -0.237 0.000 1.215 168 W CA 1.437 58.595 57.345 -0.311 0.000 1.278 168 W CB -0.276 28.966 29.460 -0.362 0.000 1.154 168 W HN 0.241 nan 8.180 nan 0.000 0.486 169 R N -0.273 120.119 120.500 -0.180 0.000 2.235 169 R HA -0.102 4.241 4.340 0.004 0.000 0.213 169 R C 2.580 178.853 176.300 -0.044 0.000 1.059 169 R CA 1.390 57.383 56.100 -0.179 0.000 0.997 169 R CB -0.275 29.860 30.300 -0.276 0.000 0.884 169 R HN -0.001 nan 8.270 nan 0.000 0.462 170 S N 0.044 115.704 115.700 -0.067 0.000 2.398 170 S HA -0.023 4.450 4.470 0.004 0.000 0.220 170 S C 1.555 176.001 174.600 -0.257 0.000 1.046 170 S CA 0.525 58.632 58.200 -0.155 0.000 0.953 170 S CB 0.172 63.353 63.200 -0.032 0.000 0.856 170 S HN 0.128 nan 8.310 nan 0.000 0.506 171 E N 0.555 120.619 120.200 -0.227 0.000 2.072 171 E HA -0.061 4.292 4.350 0.004 0.000 0.191 171 E C 2.011 178.436 176.600 -0.291 0.000 0.985 171 E CA 1.510 57.776 56.400 -0.224 0.000 0.801 171 E CB -0.008 29.587 29.700 -0.176 0.000 0.750 171 E HN 0.539 nan 8.360 nan 0.000 0.452 172 V N -3.153 116.501 119.914 -0.434 0.000 3.085 172 V HA 0.316 4.438 4.120 0.004 0.000 0.245 172 V C 1.977 177.838 176.094 -0.387 0.000 1.114 172 V CA 1.064 63.066 62.300 -0.497 0.000 1.108 172 V CB -0.262 31.042 31.823 -0.865 0.000 0.798 172 V HN 0.188 nan 8.190 nan 0.000 0.471 173 G N 1.170 109.749 108.800 -0.368 0.000 2.491 173 G HA2 -0.261 3.702 3.960 0.004 0.000 0.218 173 G HA3 -0.261 3.702 3.960 0.004 0.000 0.218 173 G C 1.569 176.358 174.900 -0.185 0.000 1.180 173 G CA 1.306 46.270 45.100 -0.228 0.000 0.774 173 G HN 0.562 nan 8.290 nan 0.000 0.562 174 K N 0.089 120.346 120.400 -0.238 0.000 2.152 174 K HA -0.090 4.233 4.320 0.004 0.000 0.206 174 K C 2.674 179.180 176.600 -0.157 0.000 1.048 174 K CA 1.161 57.310 56.287 -0.231 0.000 0.933 174 K CB -0.158 32.145 32.500 -0.327 0.000 0.721 174 K HN 0.383 nan 8.250 nan 0.000 0.447 175 Q N 0.132 119.836 119.800 -0.160 0.000 2.079 175 Q HA -0.096 4.246 4.340 0.004 0.000 0.200 175 Q C 1.842 177.798 176.000 -0.075 0.000 0.974 175 Q CA 0.840 56.574 55.803 -0.115 0.000 0.840 175 Q CB 0.091 28.752 28.738 -0.129 0.000 0.898 175 Q HN 0.185 nan 8.270 nan 0.000 0.430 176 L N 0.391 121.566 121.223 -0.080 0.000 2.395 176 L HA -0.070 4.273 4.340 0.004 0.000 0.218 176 L C 2.232 179.125 176.870 0.038 0.000 1.130 176 L CA 1.134 55.958 54.840 -0.026 0.000 0.826 176 L CB -0.871 41.155 42.059 -0.055 0.000 0.941 176 L HN 0.129 nan 8.230 nan 0.000 0.451 177 R N 1.280 121.789 120.500 0.016 0.000 2.080 177 R HA -0.144 4.198 4.340 0.004 0.000 0.236 177 R C -0.659 175.709 176.300 0.112 0.000 1.137 177 R CA 1.878 58.031 56.100 0.087 0.000 0.943 177 R CB -1.564 28.757 30.300 0.036 0.000 0.846 177 R HN 0.198 nan 8.270 nan 0.000 0.431 178 P HA -0.047 nan 4.420 nan 0.000 0.217 178 P C 0.940 178.272 177.300 0.053 0.000 1.151 178 P CA 1.170 64.282 63.100 0.021 0.000 0.828 178 P CB -0.008 31.686 31.700 -0.011 0.000 0.788 179 L N -2.679 118.586 121.223 0.070 0.000 2.072 179 L HA -0.121 4.221 4.340 0.004 0.000 0.205 179 L C 2.560 179.518 176.870 0.147 0.000 1.079 179 L CA 1.476 56.364 54.840 0.080 0.000 0.752 179 L CB -1.454 40.639 42.059 0.056 0.000 0.906 179 L HN -0.114 nan 8.230 nan 0.000 0.436 180 Y N 0.679 121.027 120.300 0.080 0.000 2.293 180 Y HA -0.204 4.349 4.550 0.004 0.000 0.291 180 Y C 2.585 178.677 175.900 0.320 0.000 1.137 180 Y CA 1.335 59.522 58.100 0.145 0.000 1.202 180 Y CB 0.063 38.583 38.460 0.099 0.000 0.990 180 Y HN 0.180 nan 8.280 nan 0.000 0.537 181 E N 0.113 120.523 120.200 0.351 0.000 2.033 181 E HA -0.307 4.046 4.350 0.004 0.000 0.199 181 E C 2.057 178.694 176.600 0.062 0.000 1.011 181 E CA 1.811 58.282 56.400 0.119 0.000 0.815 181 E CB -0.267 29.395 29.700 -0.063 0.000 0.755 181 E HN 0.613 nan 8.360 nan 0.000 0.451 182 E N -0.253 119.971 120.200 0.039 0.000 2.152 182 E HA -0.165 4.187 4.350 0.004 0.000 0.192 182 E C 2.004 178.589 176.600 -0.025 0.000 0.983 182 E CA 0.296 56.691 56.400 -0.009 0.000 0.818 182 E CB -0.118 29.573 29.700 -0.015 0.000 0.758 182 E HN 0.237 nan 8.360 nan 0.000 0.467 183 Y N 1.301 121.513 120.300 -0.147 0.000 2.040 183 Y HA -0.327 4.225 4.550 0.004 0.000 0.275 183 Y C 2.214 177.953 175.900 -0.267 0.000 1.171 183 Y CA 2.356 60.307 58.100 -0.250 0.000 1.123 183 Y CB -0.724 37.496 38.460 -0.399 0.000 0.963 183 Y HN 0.019 nan 8.280 nan 0.000 0.493 184 V N -1.895 117.955 119.914 -0.107 0.000 2.392 184 V HA -0.238 3.885 4.120 0.004 0.000 0.249 184 V C 2.032 178.028 176.094 -0.164 0.000 1.059 184 V CA 1.812 64.022 62.300 -0.150 0.000 1.051 184 V CB -1.636 30.172 31.823 -0.024 0.000 0.658 184 V HN 0.346 nan 8.190 nan 0.000 0.455 185 V N 0.781 120.617 119.914 -0.131 0.000 2.216 185 V HA -0.228 3.895 4.120 0.004 0.000 0.243 185 V C 2.634 178.618 176.094 -0.182 0.000 1.044 185 V CA 2.578 64.806 62.300 -0.121 0.000 0.995 185 V CB -0.792 30.973 31.823 -0.096 0.000 0.633 185 V HN 0.492 nan 8.190 nan 0.000 0.446 186 L N -0.574 120.517 121.223 -0.219 0.000 2.187 186 L HA -0.213 4.130 4.340 0.004 0.000 0.213 186 L C 2.502 179.163 176.870 -0.348 0.000 1.100 186 L CA 1.520 56.214 54.840 -0.243 0.000 0.765 186 L CB -0.556 41.368 42.059 -0.225 0.000 0.904 186 L HN 0.265 nan 8.230 nan 0.000 0.437 187 K N -0.146 119.945 120.400 -0.515 0.000 2.076 187 K HA -0.038 4.284 4.320 0.004 0.000 0.204 187 K C 1.973 178.259 176.600 -0.523 0.000 1.051 187 K CA 0.760 56.588 56.287 -0.765 0.000 0.949 187 K CB -0.017 31.680 32.500 -1.340 0.000 0.726 187 K HN 0.138 nan 8.250 nan 0.000 0.443 188 N N 0.630 119.155 118.700 -0.291 0.000 2.309 188 N HA -0.151 4.591 4.740 0.004 0.000 0.182 188 N C 1.484 176.923 175.510 -0.120 0.000 1.018 188 N CA 0.860 53.840 53.050 -0.116 0.000 0.876 188 N CB 0.157 38.637 38.487 -0.012 0.000 0.972 188 N HN 0.352 nan 8.380 nan 0.000 0.434 189 E N 0.569 120.675 120.200 -0.156 0.000 2.028 189 E HA -0.144 4.208 4.350 0.004 0.000 0.191 189 E C 2.034 178.544 176.600 -0.150 0.000 0.988 189 E CA 0.746 57.066 56.400 -0.134 0.000 0.799 189 E CB -0.051 29.569 29.700 -0.134 0.000 0.755 189 E HN 0.116 nan 8.360 nan 0.000 0.447 190 M N 0.903 120.380 119.600 -0.205 0.000 2.073 190 M HA -0.221 4.261 4.480 0.004 0.000 0.258 190 M C 2.221 178.411 176.300 -0.183 0.000 1.070 190 M CA 2.227 57.400 55.300 -0.212 0.000 1.103 190 M CB -0.689 31.735 32.600 -0.292 0.000 1.321 190 M HN 0.205 nan 8.290 nan 0.000 0.405 191 A N 0.360 123.062 122.820 -0.196 0.000 1.908 191 A HA -0.206 4.116 4.320 0.004 0.000 0.218 191 A C 2.246 179.866 177.584 0.060 0.000 1.181 191 A CA 1.942 53.932 52.037 -0.078 0.000 0.627 191 A CB -0.720 18.253 19.000 -0.045 0.000 0.818 191 A HN 0.651 nan 8.150 nan 0.000 0.445 192 R N -0.975 119.517 120.500 -0.013 0.000 2.115 192 R HA 0.036 4.379 4.340 0.004 0.000 0.226 192 R C 2.296 178.529 176.300 -0.111 0.000 1.100 192 R CA 0.904 56.993 56.100 -0.017 0.000 0.980 192 R CB -0.307 29.976 30.300 -0.029 0.000 0.875 192 R HN 0.501 nan 8.270 nan 0.000 0.445 193 A N 0.891 123.628 122.820 -0.138 0.000 2.172 193 A HA -0.088 4.234 4.320 0.004 0.000 0.216 193 A C 1.134 178.539 177.584 -0.298 0.000 1.154 193 A CA 1.105 53.012 52.037 -0.216 0.000 0.701 193 A CB -0.116 18.793 19.000 -0.152 0.000 0.789 193 A HN 0.207 nan 8.150 nan 0.000 0.465 194 N N -0.625 117.977 118.700 -0.163 0.000 2.268 194 N HA 0.150 4.893 4.740 0.004 0.000 0.204 194 N C -0.717 174.703 175.510 -0.150 0.000 1.124 194 N CA 0.139 53.143 53.050 -0.077 0.000 0.838 194 N CB -0.280 38.311 38.487 0.173 0.000 0.994 194 N HN 0.618 nan 8.380 nan 0.000 0.489 195 H N -2.158 116.847 119.070 -0.109 0.000 2.933 195 H HA -0.197 4.362 4.556 0.004 0.000 0.301 195 H C -1.020 174.118 175.328 -0.316 0.000 1.280 195 H CA 0.506 56.442 56.048 -0.187 0.000 1.155 195 H CB -2.235 27.405 29.762 -0.202 0.000 1.379 195 H HN 0.221 nan 8.280 nan 0.000 0.419 196 Y N -0.808 119.543 120.300 0.086 0.000 2.587 196 Y HA 0.302 4.855 4.550 0.004 0.000 0.337 196 Y C 1.610 177.531 175.900 0.036 0.000 1.065 196 Y CA -0.984 57.161 58.100 0.075 0.000 1.126 196 Y CB 1.088 39.613 38.460 0.109 0.000 1.279 196 Y HN 0.106 nan 8.280 nan 0.000 0.489 197 E N 0.418 120.748 120.200 0.216 0.000 2.076 197 E HA -0.014 4.339 4.350 0.004 0.000 0.190 197 E C -0.617 176.034 176.600 0.086 0.000 0.979 197 E CA 1.218 57.682 56.400 0.107 0.000 0.807 197 E CB 0.283 30.026 29.700 0.071 0.000 0.761 197 E HN 0.666 nan 8.360 nan 0.000 0.454 198 D N -2.210 118.241 120.400 0.084 0.000 2.665 198 D HA -0.055 4.587 4.640 0.004 0.000 0.287 198 D C 0.070 176.363 176.300 -0.012 0.000 1.266 198 D CA -0.648 53.388 54.000 0.060 0.000 0.830 198 D CB 0.189 41.044 40.800 0.092 0.000 1.356 198 D HN -0.165 nan 8.370 nan 0.000 0.437 199 Y N 1.027 121.169 120.300 -0.263 0.000 2.274 199 Y HA -0.002 4.550 4.550 0.004 0.000 0.290 199 Y C 2.259 177.668 175.900 -0.819 0.000 1.145 199 Y CA 2.339 60.060 58.100 -0.630 0.000 1.203 199 Y CB -0.609 37.304 38.460 -0.912 0.000 0.984 199 Y HN 0.620 nan 8.280 nan 0.000 0.533 200 G N -0.297 108.110 108.800 -0.655 0.000 2.480 200 G HA2 -0.376 3.586 3.960 0.004 0.000 0.216 200 G HA3 -0.376 3.586 3.960 0.004 0.000 0.216 200 G C 1.423 176.180 174.900 -0.237 0.000 1.200 200 G CA 1.193 46.097 45.100 -0.327 0.000 0.782 200 G HN 0.442 nan 8.290 nan 0.000 0.554 201 D N -0.911 119.370 120.400 -0.200 0.000 2.158 201 D HA -0.200 4.442 4.640 0.004 0.000 0.197 201 D C 1.988 178.115 176.300 -0.289 0.000 0.995 201 D CA 0.920 54.830 54.000 -0.151 0.000 0.846 201 D CB -0.292 40.505 40.800 -0.004 0.000 0.941 201 D HN 0.388 nan 8.370 nan 0.000 0.456 202 Y N -0.879 119.055 120.300 -0.610 0.000 2.333 202 Y HA -0.133 4.420 4.550 0.004 0.000 0.290 202 Y C 1.507 177.123 175.900 -0.472 0.000 1.144 202 Y CA 1.320 58.853 58.100 -0.945 0.000 1.228 202 Y CB -0.145 37.869 38.460 -0.744 0.000 0.985 202 Y HN 0.074 nan 8.280 nan 0.000 0.542 203 W N 0.529 121.541 121.300 -0.479 0.000 2.539 203 W HA 0.088 4.750 4.660 0.004 0.000 0.281 203 W C 2.255 178.702 176.519 -0.120 0.000 1.220 203 W CA 0.752 57.896 57.345 -0.335 0.000 1.332 203 W CB -0.727 28.619 29.460 -0.190 0.000 1.095 203 W HN 0.000 nan 8.180 nan 0.000 0.571 204 R N -0.065 120.543 120.500 0.180 0.000 2.241 204 R HA -0.055 4.287 4.340 0.004 0.000 0.224 204 R C 2.320 178.746 176.300 0.210 0.000 1.101 204 R CA 1.054 57.286 56.100 0.220 0.000 0.995 204 R CB -0.921 29.393 30.300 0.024 0.000 0.870 204 R HN 0.136 nan 8.270 nan 0.000 0.463 205 G N 1.383 110.190 108.800 0.012 0.000 2.485 205 G HA2 -0.355 3.608 3.960 0.004 0.000 0.221 205 G HA3 -0.355 3.608 3.960 0.004 0.000 0.221 205 G C 0.946 175.871 174.900 0.041 0.000 1.115 205 G CA 1.182 46.287 45.100 0.009 0.000 0.751 205 G HN 0.344 nan 8.290 nan 0.000 0.567 206 D N -0.517 119.869 120.400 -0.025 0.000 2.182 206 D HA -0.150 4.493 4.640 0.004 0.000 0.201 206 D C 1.654 177.850 176.300 -0.174 0.000 0.986 206 D CA 0.784 54.690 54.000 -0.156 0.000 0.847 206 D CB -0.197 40.414 40.800 -0.315 0.000 0.942 206 D HN 0.478 nan 8.370 nan 0.000 0.467 207 Y N 0.277 120.628 120.300 0.086 0.000 2.490 207 Y HA 0.240 4.793 4.550 0.004 0.000 0.281 207 Y C 0.626 176.895 175.900 0.615 0.000 1.174 207 Y CA -0.047 58.190 58.100 0.229 0.000 1.295 207 Y CB -0.177 38.390 38.460 0.178 0.000 1.062 207 Y HN -0.024 nan 8.280 nan 0.000 0.522 208 E N 1.236 121.722 120.200 0.477 0.000 2.338 208 E HA 0.316 4.669 4.350 0.004 0.000 0.272 208 E C -1.074 175.709 176.600 0.304 0.000 1.029 208 E CA -0.363 56.271 56.400 0.390 0.000 0.872 208 E CB 1.034 30.887 29.700 0.256 0.000 1.015 208 E HN -0.023 nan 8.360 nan 0.000 0.417 209 V N 5.598 125.665 119.914 0.255 0.000 2.567 209 V HA 0.431 4.553 4.120 0.004 0.000 0.298 209 V C -1.823 174.329 176.094 0.098 0.000 1.047 209 V CA -0.719 61.662 62.300 0.135 0.000 0.880 209 V CB 1.561 33.418 31.823 0.056 0.000 1.009 209 V HN 0.676 nan 8.190 nan 0.000 0.429 210 N N 4.406 123.147 118.700 0.068 0.000 2.314 210 N HA 0.741 5.483 4.740 0.004 0.000 0.304 210 N C 0.578 176.103 175.510 0.025 0.000 1.073 210 N CA 0.256 53.332 53.050 0.043 0.000 0.822 210 N CB 1.814 40.322 38.487 0.035 0.000 1.280 210 N HN 1.432 nan 8.380 nan 0.000 0.489 211 G N -0.217 108.591 108.800 0.013 0.000 2.204 211 G HA2 -0.181 3.782 3.960 0.004 0.000 0.244 211 G HA3 -0.181 3.782 3.960 0.004 0.000 0.244 211 G C -0.671 174.232 174.900 0.004 0.000 1.062 211 G CA 0.101 45.203 45.100 0.003 0.000 0.798 211 G HN 0.512 nan 8.290 nan 0.000 0.496 212 V N -0.277 119.641 119.914 0.007 0.000 2.564 212 V HA 0.256 4.379 4.120 0.004 0.000 0.259 212 V C 0.057 176.135 176.094 -0.026 0.000 0.936 212 V CA -1.276 61.031 62.300 0.011 0.000 0.867 212 V CB 0.863 32.719 31.823 0.054 0.000 1.076 212 V HN 0.269 nan 8.190 nan 0.000 0.476 213 D N 3.289 123.655 120.400 -0.057 0.000 3.139 213 D HA 0.278 4.920 4.640 0.004 0.000 0.212 213 D C 1.396 177.575 176.300 -0.202 0.000 1.084 213 D CA 2.718 56.658 54.000 -0.100 0.000 0.777 213 D CB 0.392 41.136 40.800 -0.094 0.000 1.156 213 D HN 0.941 nan 8.370 nan 0.000 0.537 214 G N 2.104 110.794 108.800 -0.183 0.000 2.420 214 G HA2 -0.353 3.609 3.960 0.004 0.000 0.221 214 G HA3 -0.353 3.609 3.960 0.004 0.000 0.221 214 G C 0.689 175.460 174.900 -0.215 0.000 1.117 214 G CA -0.047 44.885 45.100 -0.280 0.000 0.657 214 G HN 0.454 nan 8.290 nan 0.000 0.512 215 Y N 3.319 123.585 120.300 -0.056 0.000 2.532 215 Y HA 0.337 4.889 4.550 0.004 0.000 0.283 215 Y C 1.005 176.842 175.900 -0.106 0.000 1.181 215 Y CA -0.906 57.134 58.100 -0.100 0.000 1.256 215 Y CB -0.090 38.300 38.460 -0.118 0.000 1.112 215 Y HN 0.221 nan 8.280 nan 0.000 0.521 216 D N -0.339 120.102 120.400 0.070 0.000 2.360 216 D HA 0.096 4.738 4.640 0.004 0.000 0.242 216 D C -0.893 175.495 176.300 0.145 0.000 1.184 216 D CA 0.397 54.440 54.000 0.071 0.000 0.930 216 D CB 1.192 42.016 40.800 0.039 0.000 1.161 216 D HN 0.127 nan 8.370 nan 0.000 0.447 217 Y N -0.079 120.223 120.300 0.004 0.000 2.299 217 Y HA 0.133 4.686 4.550 0.004 0.000 0.318 217 Y C -0.770 175.205 175.900 0.126 0.000 1.205 217 Y CA -0.672 57.468 58.100 0.067 0.000 1.106 217 Y CB 1.034 39.550 38.460 0.093 0.000 1.246 217 Y HN 0.325 nan 8.280 nan 0.000 0.415 218 S N 4.535 120.150 115.700 -0.142 0.000 2.586 218 S HA 0.446 4.919 4.470 0.004 0.000 0.274 218 S C 0.967 175.540 174.600 -0.045 0.000 1.281 218 S CA -0.842 57.325 58.200 -0.055 0.000 1.035 218 S CB 1.944 65.090 63.200 -0.090 0.000 0.962 218 S HN 0.884 nan 8.310 nan 0.000 0.512 219 R N 1.392 121.929 120.500 0.061 0.000 2.185 219 R HA -0.137 4.205 4.340 0.004 0.000 0.247 219 R C 2.166 178.436 176.300 -0.051 0.000 1.159 219 R CA 1.626 57.765 56.100 0.066 0.000 0.988 219 R CB -0.904 29.443 30.300 0.078 0.000 0.871 219 R HN 0.888 nan 8.270 nan 0.000 0.458 220 G N -0.331 108.410 108.800 -0.099 0.000 2.453 220 G HA2 -0.194 3.768 3.960 0.004 0.000 0.215 220 G HA3 -0.194 3.768 3.960 0.004 0.000 0.215 220 G C 1.254 176.051 174.900 -0.172 0.000 1.147 220 G CA -0.224 44.791 45.100 -0.142 0.000 0.802 220 G HN 0.144 nan 8.290 nan 0.000 0.535 221 Q N -0.180 119.457 119.800 -0.273 0.000 2.376 221 Q HA -0.079 4.264 4.340 0.004 0.000 0.211 221 Q C 2.366 178.228 176.000 -0.230 0.000 0.986 221 Q CA 0.709 56.271 55.803 -0.401 0.000 0.886 221 Q CB -0.172 28.036 28.738 -0.883 0.000 0.927 221 Q HN 0.490 nan 8.270 nan 0.000 0.457 222 L N 0.082 121.266 121.223 -0.066 0.000 1.973 222 L HA -0.138 4.204 4.340 0.004 0.000 0.208 222 L C 2.170 179.055 176.870 0.024 0.000 1.073 222 L CA 1.449 56.367 54.840 0.131 0.000 0.746 222 L CB -0.698 41.392 42.059 0.052 0.000 0.891 222 L HN 0.139 nan 8.230 nan 0.000 0.433 223 I N 0.237 120.743 120.570 -0.106 0.000 2.121 223 I HA -0.416 3.756 4.170 0.004 0.000 0.243 223 I C 2.576 178.719 176.117 0.044 0.000 1.047 223 I CA 2.260 63.516 61.300 -0.074 0.000 1.308 223 I CB -0.679 37.192 38.000 -0.214 0.000 1.015 223 I HN 0.556 nan 8.210 nan 0.000 0.410 224 E N 0.461 120.672 120.200 0.018 0.000 2.072 224 E HA -0.240 4.113 4.350 0.004 0.000 0.190 224 E C 1.633 178.293 176.600 0.099 0.000 0.982 224 E CA 1.316 57.750 56.400 0.056 0.000 0.803 224 E CB -0.345 29.369 29.700 0.024 0.000 0.755 224 E HN 0.440 nan 8.360 nan 0.000 0.453 225 D N 1.036 121.499 120.400 0.105 0.000 2.097 225 D HA -0.120 4.522 4.640 0.004 0.000 0.195 225 D C 2.227 178.616 176.300 0.149 0.000 0.989 225 D CA 1.220 55.319 54.000 0.165 0.000 0.827 225 D CB -0.028 40.937 40.800 0.274 0.000 0.966 225 D HN 0.085 nan 8.370 nan 0.000 0.456 226 V N 1.544 121.489 119.914 0.052 0.000 2.252 226 V HA -0.251 3.871 4.120 0.004 0.000 0.249 226 V C 2.358 178.345 176.094 -0.178 0.000 1.056 226 V CA 1.839 64.048 62.300 -0.151 0.000 1.022 226 V CB -0.426 31.262 31.823 -0.224 0.000 0.641 226 V HN 0.253 nan 8.190 nan 0.000 0.445 227 E N -1.046 119.093 120.200 -0.101 0.000 2.072 227 E HA -0.233 4.119 4.350 0.004 0.000 0.191 227 E C 2.230 178.864 176.600 0.056 0.000 0.985 227 E CA 1.222 57.558 56.400 -0.106 0.000 0.801 227 E CB -0.332 29.392 29.700 0.040 0.000 0.750 227 E HN 0.714 nan 8.360 nan 0.000 0.452 228 H N 0.754 119.841 119.070 0.028 0.000 2.321 228 H HA -0.118 4.440 4.556 0.004 0.000 0.300 228 H C 2.268 177.628 175.328 0.053 0.000 1.087 228 H CA 1.994 58.071 56.048 0.048 0.000 1.319 228 H CB 0.015 29.812 29.762 0.059 0.000 1.379 228 H HN 0.107 nan 8.280 nan 0.000 0.501 229 T N -0.079 114.601 114.554 0.210 0.000 2.746 229 T HA -0.192 4.160 4.350 0.004 0.000 0.267 229 T C 1.901 176.657 174.700 0.094 0.000 1.039 229 T CA 1.413 63.616 62.100 0.171 0.000 1.142 229 T CB -0.751 68.280 68.868 0.272 0.000 0.866 229 T HN 0.322 nan 8.240 nan 0.000 0.444 230 F N 2.005 121.929 119.950 -0.043 0.000 2.202 230 F HA -0.015 4.514 4.527 0.004 0.000 0.301 230 F C 2.285 178.027 175.800 -0.097 0.000 1.082 230 F CA 1.430 59.373 58.000 -0.095 0.000 1.313 230 F CB -0.287 38.474 39.000 -0.399 0.000 1.024 230 F HN 0.178 nan 8.300 nan 0.000 0.495 231 E N 0.622 120.694 120.200 -0.212 0.000 2.077 231 E HA -0.216 4.136 4.350 0.004 0.000 0.193 231 E C 2.067 178.490 176.600 -0.295 0.000 0.989 231 E CA 1.624 57.861 56.400 -0.272 0.000 0.800 231 E CB -0.390 29.206 29.700 -0.173 0.000 0.746 231 E HN 0.643 nan 8.360 nan 0.000 0.452 232 E N 0.229 120.277 120.200 -0.252 0.000 2.274 232 E HA -0.109 4.243 4.350 0.004 0.000 0.194 232 E C 2.029 178.491 176.600 -0.230 0.000 0.996 232 E CA 0.238 56.514 56.400 -0.206 0.000 0.840 232 E CB 0.061 29.667 29.700 -0.156 0.000 0.772 232 E HN 0.183 nan 8.360 nan 0.000 0.491 233 I N 1.583 121.988 120.570 -0.276 0.000 2.226 233 I HA -0.215 3.957 4.170 0.004 0.000 0.245 233 I C 2.118 178.095 176.117 -0.233 0.000 1.100 233 I CA 1.163 62.296 61.300 -0.279 0.000 1.374 233 I CB -0.755 37.067 38.000 -0.297 0.000 1.057 233 I HN -0.033 nan 8.210 nan 0.000 0.413 234 K N 0.927 121.136 120.400 -0.319 0.000 2.044 234 K HA -0.221 4.101 4.320 0.004 0.000 0.224 234 K C -0.404 176.188 176.600 -0.013 0.000 1.056 234 K CA 2.410 58.605 56.287 -0.154 0.000 0.962 234 K CB -1.744 30.635 32.500 -0.201 0.000 0.730 234 K HN 0.215 nan 8.250 nan 0.000 0.453 235 P HA -0.187 nan 4.420 nan 0.000 0.215 235 P C 1.274 178.763 177.300 0.316 0.000 1.157 235 P CA 0.975 64.168 63.100 0.155 0.000 0.874 235 P CB 0.007 31.795 31.700 0.146 0.000 0.790 236 L N -1.272 119.945 121.223 -0.010 0.000 1.970 236 L HA -0.200 4.142 4.340 0.004 0.000 0.212 236 L C 2.385 179.380 176.870 0.209 0.000 1.071 236 L CA 1.923 56.775 54.840 0.020 0.000 0.751 236 L CB -1.909 39.987 42.059 -0.271 0.000 0.889 236 L HN -0.078 nan 8.230 nan 0.000 0.432 237 Y N 0.965 121.268 120.300 0.005 0.000 2.081 237 Y HA -0.292 4.260 4.550 0.004 0.000 0.280 237 Y C 2.518 178.562 175.900 0.240 0.000 1.163 237 Y CA 2.328 60.473 58.100 0.075 0.000 1.135 237 Y CB -0.582 37.898 38.460 0.035 0.000 0.970 237 Y HN 0.452 nan 8.280 nan 0.000 0.498 238 E N -1.134 119.103 120.200 0.062 0.000 2.086 238 E HA -0.303 4.049 4.350 0.004 0.000 0.200 238 E C 2.145 178.738 176.600 -0.012 0.000 1.012 238 E CA 1.603 57.985 56.400 -0.030 0.000 0.812 238 E CB -0.359 29.247 29.700 -0.156 0.000 0.743 238 E HN 0.642 nan 8.360 nan 0.000 0.453 239 H N 0.068 119.200 119.070 0.104 0.000 2.395 239 H HA -0.038 4.520 4.556 0.004 0.000 0.299 239 H C 2.339 177.761 175.328 0.157 0.000 1.070 239 H CA 0.714 56.830 56.048 0.113 0.000 1.356 239 H CB -0.067 29.769 29.762 0.123 0.000 1.401 239 H HN 0.181 nan 8.280 nan 0.000 0.524 240 L N 0.341 121.732 121.223 0.279 0.000 1.994 240 L HA -0.229 4.113 4.340 0.004 0.000 0.208 240 L C 2.649 179.725 176.870 0.343 0.000 1.071 240 L CA 1.454 56.473 54.840 0.298 0.000 0.745 240 L CB -0.567 41.650 42.059 0.263 0.000 0.892 240 L HN 0.394 nan 8.230 nan 0.000 0.431 241 H N 0.054 119.181 119.070 0.095 0.000 2.265 241 H HA -0.253 4.305 4.556 0.004 0.000 0.293 241 H C 2.015 177.390 175.328 0.078 0.000 1.089 241 H CA 2.250 58.336 56.048 0.064 0.000 1.244 241 H CB 0.113 29.779 29.762 -0.160 0.000 1.355 241 H HN 0.454 nan 8.280 nan 0.000 0.485 242 A N 0.312 123.270 122.820 0.230 0.000 1.917 242 A HA -0.260 4.063 4.320 0.004 0.000 0.219 242 A C 2.453 180.092 177.584 0.092 0.000 1.182 242 A CA 1.845 53.966 52.037 0.139 0.000 0.633 242 A CB -1.377 17.666 19.000 0.071 0.000 0.819 242 A HN 0.698 nan 8.150 nan 0.000 0.448 243 Y N 0.849 121.169 120.300 0.033 0.000 2.109 243 Y HA -0.179 4.373 4.550 0.004 0.000 0.285 243 Y C 2.565 178.451 175.900 -0.023 0.000 1.131 243 Y CA 2.610 60.718 58.100 0.014 0.000 1.121 243 Y CB -0.526 37.979 38.460 0.075 0.000 0.987 243 Y HN 0.223 nan 8.280 nan 0.000 0.495 244 V N 0.718 120.664 119.914 0.053 0.000 2.343 244 V HA -0.255 3.868 4.120 0.004 0.000 0.247 244 V C 2.425 178.346 176.094 -0.287 0.000 1.051 244 V CA 2.293 64.496 62.300 -0.161 0.000 1.036 244 V CB -1.200 30.583 31.823 -0.068 0.000 0.654 244 V HN 0.502 nan 8.190 nan 0.000 0.451 245 R N 1.635 121.954 120.500 -0.302 0.000 2.133 245 R HA -0.207 4.136 4.340 0.004 0.000 0.245 245 R C 2.236 178.406 176.300 -0.216 0.000 1.137 245 R CA 2.741 58.663 56.100 -0.296 0.000 0.947 245 R CB -1.134 29.014 30.300 -0.253 0.000 0.865 245 R HN 0.598 nan 8.270 nan 0.000 0.437 246 A N 0.947 123.645 122.820 -0.204 0.000 1.877 246 A HA -0.132 4.190 4.320 0.004 0.000 0.216 246 A C 2.021 179.463 177.584 -0.237 0.000 1.186 246 A CA 1.681 53.600 52.037 -0.195 0.000 0.620 246 A CB -0.457 18.435 19.000 -0.179 0.000 0.822 246 A HN 0.335 nan 8.150 nan 0.000 0.443 247 K N -0.252 119.940 120.400 -0.346 0.000 2.103 247 K HA -0.088 4.234 4.320 0.004 0.000 0.207 247 K C 1.933 178.392 176.600 -0.235 0.000 1.048 247 K CA 1.185 57.279 56.287 -0.321 0.000 0.930 247 K CB -0.628 31.627 32.500 -0.410 0.000 0.716 247 K HN 0.530 nan 8.250 nan 0.000 0.444 248 L N 0.616 121.710 121.223 -0.215 0.000 2.017 248 L HA -0.181 4.161 4.340 0.004 0.000 0.208 248 L C 2.667 179.486 176.870 -0.085 0.000 1.073 248 L CA 1.170 55.923 54.840 -0.145 0.000 0.745 248 L CB -0.435 41.558 42.059 -0.110 0.000 0.894 248 L HN 0.176 nan 8.230 nan 0.000 0.432 249 M N -0.435 119.116 119.600 -0.081 0.000 2.103 249 M HA -0.298 4.185 4.480 0.004 0.000 0.255 249 M C 2.036 178.302 176.300 -0.057 0.000 1.074 249 M CA 1.804 57.077 55.300 -0.044 0.000 1.090 249 M CB -0.745 31.808 32.600 -0.079 0.000 1.325 249 M HN 0.353 nan 8.290 nan 0.000 0.403 250 N N 0.446 119.080 118.700 -0.110 0.000 2.104 250 N HA -0.116 4.627 4.740 0.004 0.000 0.190 250 N C 1.652 177.071 175.510 -0.152 0.000 1.024 250 N CA 1.842 54.822 53.050 -0.117 0.000 0.853 250 N CB -0.341 38.068 38.487 -0.130 0.000 1.008 250 N HN 0.406 nan 8.380 nan 0.000 0.424 251 A N -0.338 122.325 122.820 -0.261 0.000 2.016 251 A HA -0.010 4.312 4.320 0.004 0.000 0.217 251 A C 0.048 177.313 177.584 -0.532 0.000 1.162 251 A CA 0.706 52.468 52.037 -0.459 0.000 0.662 251 A CB -0.122 18.462 19.000 -0.692 0.000 0.812 251 A HN 0.266 nan 8.150 nan 0.000 0.450 252 Y N -0.359 119.954 120.300 0.022 0.000 2.562 252 Y HA 0.353 4.905 4.550 0.004 0.000 0.363 252 Y C -2.789 173.224 175.900 0.189 0.000 0.991 252 Y CA -3.740 54.434 58.100 0.124 0.000 1.121 252 Y CB -0.139 38.373 38.460 0.088 0.000 1.159 252 Y HN 0.085 nan 8.280 nan 0.000 0.651 253 P HA -0.013 nan 4.420 nan 0.000 0.264 253 P C 0.806 178.089 177.300 -0.027 0.000 1.193 253 P CA 1.358 64.493 63.100 0.057 0.000 0.763 253 P CB 0.906 32.613 31.700 0.011 0.000 0.810 254 S N 0.954 116.607 115.700 -0.077 0.000 2.857 254 S HA -0.294 4.178 4.470 0.004 0.000 0.268 254 S C 0.780 175.219 174.600 -0.270 0.000 1.297 254 S CA 1.056 59.144 58.200 -0.188 0.000 1.280 254 S CB -3.039 60.000 63.200 -0.268 0.000 1.562 254 S HN 0.422 nan 8.310 nan 0.000 0.661 255 Y N 1.088 121.366 120.300 -0.037 0.000 2.500 255 Y HA 0.590 5.143 4.550 0.004 0.000 0.270 255 Y C 1.186 177.174 175.900 0.148 0.000 1.134 255 Y CA 0.100 58.183 58.100 -0.029 0.000 1.293 255 Y CB 0.496 38.832 38.460 -0.208 0.000 1.063 255 Y HN 0.467 nan 8.280 nan 0.000 0.534 256 I N -0.684 119.981 120.570 0.158 0.000 2.498 256 I HA 0.202 4.374 4.170 0.004 0.000 0.290 256 I C -0.273 175.650 176.117 -0.323 0.000 1.032 256 I CA -0.915 60.349 61.300 -0.060 0.000 1.073 256 I CB 1.946 39.918 38.000 -0.046 0.000 1.251 256 I HN -0.258 nan 8.210 nan 0.000 0.426 257 S N 6.490 121.661 115.700 -0.882 0.000 2.489 257 S HA 0.380 4.853 4.470 0.004 0.000 0.277 257 S C -1.837 172.462 174.600 -0.501 0.000 1.230 257 S CA -1.303 56.375 58.200 -0.870 0.000 1.053 257 S CB 0.965 63.119 63.200 -1.743 0.000 0.955 257 S HN 0.365 nan 8.310 nan 0.000 0.488 258 P HA 0.100 nan 4.420 nan 0.000 0.239 258 P C 0.623 177.904 177.300 -0.032 0.000 1.184 258 P CA 0.496 63.514 63.100 -0.136 0.000 0.760 258 P CB -0.252 31.385 31.700 -0.105 0.000 0.884 259 I N -6.402 114.092 120.570 -0.126 0.000 4.442 259 I HA 0.478 4.651 4.170 0.004 0.000 0.331 259 I C 0.628 176.811 176.117 0.110 0.000 1.364 259 I CA -0.343 60.976 61.300 0.031 0.000 1.207 259 I CB 0.598 38.386 38.000 -0.353 0.000 1.298 259 I HN -0.269 nan 8.210 nan 0.000 0.463 260 G N 0.481 109.208 108.800 -0.121 0.000 2.642 260 G HA2 0.458 4.420 3.960 0.004 0.000 0.291 260 G HA3 0.458 4.420 3.960 0.004 0.000 0.291 260 G C -0.527 174.453 174.900 0.134 0.000 1.345 260 G CA -0.461 44.645 45.100 0.010 0.000 1.043 260 G HN 0.289 nan 8.290 nan 0.000 0.528 261 C N -1.042 118.384 119.300 0.209 0.000 2.563 261 C HA 0.405 4.867 4.460 0.004 0.000 0.358 261 C C 0.687 175.729 174.990 0.088 0.000 1.336 261 C CA -0.503 58.572 59.018 0.095 0.000 2.454 261 C CB -0.228 27.558 27.740 0.077 0.000 2.448 261 C HN 0.415 nan 8.230 nan 0.000 0.670 262 L N 2.682 123.915 121.223 0.017 0.000 2.290 262 L HA 0.268 4.611 4.340 0.004 0.000 0.284 262 L C -2.182 174.687 176.870 -0.002 0.000 1.078 262 L CA -1.372 53.431 54.840 -0.063 0.000 0.815 262 L CB 0.355 42.279 42.059 -0.225 0.000 1.162 262 L HN 0.361 nan 8.230 nan 0.000 0.435 263 P HA -0.062 nan 4.420 nan 0.000 0.260 263 P C 0.419 177.611 177.300 -0.181 0.000 1.185 263 P CA 0.191 63.260 63.100 -0.052 0.000 0.763 263 P CB 0.928 32.606 31.700 -0.037 0.000 0.776 264 A N 4.660 127.372 122.820 -0.180 0.000 1.997 264 A HA -0.241 4.082 4.320 0.004 0.000 0.221 264 A C 1.682 179.110 177.584 -0.259 0.000 1.172 264 A CA 1.835 53.802 52.037 -0.117 0.000 0.645 264 A CB -1.309 17.705 19.000 0.022 0.000 0.813 264 A HN 0.740 nan 8.150 nan 0.000 0.454 265 H N -1.153 117.475 119.070 -0.737 0.000 2.539 265 H HA 0.263 4.821 4.556 0.004 0.000 0.267 265 H C 1.024 176.125 175.328 -0.378 0.000 0.982 265 H CA 0.552 56.240 56.048 -0.600 0.000 1.146 265 H CB -0.522 28.786 29.762 -0.757 0.000 1.382 265 H HN 0.470 nan 8.280 nan 0.000 0.577 266 L N 0.857 121.675 121.223 -0.676 0.000 2.700 266 L HA 0.216 4.558 4.340 0.004 0.000 0.234 266 L C 1.153 177.863 176.870 -0.267 0.000 1.156 266 L CA -0.001 54.499 54.840 -0.567 0.000 0.946 266 L CB 0.248 41.906 42.059 -0.670 0.000 1.216 266 L HN 0.125 nan 8.230 nan 0.000 0.493 267 L N 0.216 121.318 121.223 -0.202 0.000 2.685 267 L HA 0.259 4.602 4.340 0.004 0.000 0.233 267 L C 1.610 178.457 176.870 -0.038 0.000 1.173 267 L CA 0.287 55.013 54.840 -0.190 0.000 0.961 267 L CB -0.114 41.875 42.059 -0.117 0.000 1.217 267 L HN 0.448 nan 8.230 nan 0.000 0.478 268 G N 0.428 109.222 108.800 -0.011 0.000 2.302 268 G HA2 -0.361 3.601 3.960 0.004 0.000 0.263 268 G HA3 -0.361 3.601 3.960 0.004 0.000 0.263 268 G C 0.107 175.059 174.900 0.088 0.000 0.995 268 G CA 0.821 45.955 45.100 0.055 0.000 0.622 268 G HN 0.555 nan 8.290 nan 0.000 0.538 269 D N -1.727 118.735 120.400 0.104 0.000 2.687 269 D HA 0.647 5.289 4.640 0.004 0.000 0.264 269 D C 1.307 177.583 176.300 -0.040 0.000 1.091 269 D CA -0.378 53.664 54.000 0.070 0.000 1.123 269 D CB 0.014 40.927 40.800 0.188 0.000 1.407 269 D HN 0.101 nan 8.370 nan 0.000 0.591 270 M N -0.506 118.913 119.600 -0.301 0.000 2.175 270 M HA 0.108 4.591 4.480 0.004 0.000 0.264 270 M C 0.600 176.605 176.300 -0.492 0.000 1.063 270 M CA 1.508 56.385 55.300 -0.705 0.000 1.119 270 M CB -0.244 31.366 32.600 -1.650 0.000 1.377 270 M HN 0.562 nan 8.290 nan 0.000 0.415 271 W N -1.336 120.046 121.300 0.137 0.000 2.915 271 W HA 0.488 5.150 4.660 0.004 0.000 0.276 271 W C 1.194 177.869 176.519 0.261 0.000 1.215 271 W CA 0.489 57.991 57.345 0.262 0.000 1.514 271 W CB -0.364 29.249 29.460 0.254 0.000 1.017 271 W HN 0.408 nan 8.180 nan 0.000 0.598 272 G N 1.456 110.426 108.800 0.283 0.000 2.134 272 G HA2 -0.352 3.610 3.960 0.004 0.000 0.209 272 G HA3 -0.352 3.610 3.960 0.004 0.000 0.209 272 G C 1.006 175.794 174.900 -0.186 0.000 0.993 272 G CA 0.423 45.664 45.100 0.236 0.000 0.669 272 G HN 0.255 nan 8.290 nan 0.000 0.519 273 R N -0.598 119.393 120.500 -0.849 0.000 2.091 273 R HA 0.181 4.523 4.340 0.004 0.000 0.238 273 R C 0.456 176.153 176.300 -1.005 0.000 1.136 273 R CA 1.276 56.346 56.100 -1.717 0.000 0.959 273 R CB -0.093 29.291 30.300 -1.527 0.000 0.856 273 R HN 0.394 nan 8.270 nan 0.000 0.437 274 F N -1.715 118.168 119.950 -0.112 0.000 2.520 274 F HA 0.253 4.782 4.527 0.004 0.000 0.322 274 F C -0.371 175.600 175.800 0.285 0.000 1.103 274 F CA -1.378 56.633 58.000 0.018 0.000 0.926 274 F CB 1.499 40.512 39.000 0.022 0.000 1.154 274 F HN -0.035 nan 8.300 nan 0.000 0.453 275 W N 1.454 122.891 121.300 0.229 0.000 3.239 275 W HA 0.141 4.803 4.660 0.004 0.000 0.368 275 W C 1.560 178.175 176.519 0.159 0.000 1.154 275 W CA -0.682 56.761 57.345 0.164 0.000 1.860 275 W CB -1.453 28.100 29.460 0.155 0.000 1.094 275 W HN 0.455 nan 8.180 nan 0.000 0.643 276 T N 1.134 115.896 114.554 0.346 0.000 2.592 276 T HA -0.335 4.018 4.350 0.004 0.000 0.267 276 T C 1.439 176.267 174.700 0.213 0.000 1.060 276 T CA 2.449 64.675 62.100 0.209 0.000 1.167 276 T CB -0.459 68.477 68.868 0.112 0.000 0.863 276 T HN 0.255 nan 8.240 nan 0.000 0.431 277 N N 0.926 119.743 118.700 0.195 0.000 2.443 277 N HA 0.022 4.764 4.740 0.004 0.000 0.184 277 N C 1.052 176.657 175.510 0.158 0.000 1.037 277 N CA 0.298 53.444 53.050 0.160 0.000 0.896 277 N CB -0.394 38.167 38.487 0.123 0.000 0.959 277 N HN 0.271 nan 8.380 nan 0.000 0.442 278 L N -0.044 121.278 121.223 0.166 0.000 2.711 278 L HA -0.045 4.297 4.340 0.004 0.000 0.242 278 L C 1.390 178.351 176.870 0.152 0.000 1.153 278 L CA 0.461 55.368 54.840 0.111 0.000 0.898 278 L CB -0.662 41.426 42.059 0.049 0.000 1.044 278 L HN 0.242 nan 8.230 nan 0.000 0.437 279 Y N 0.379 120.725 120.300 0.078 0.000 2.242 279 Y HA -0.257 4.296 4.550 0.004 0.000 0.291 279 Y C 2.632 178.563 175.900 0.051 0.000 1.137 279 Y CA 1.376 59.522 58.100 0.077 0.000 1.181 279 Y CB -0.047 38.459 38.460 0.076 0.000 0.989 279 Y HN 0.294 nan 8.280 nan 0.000 0.527 280 S N 0.373 116.117 115.700 0.074 0.000 2.368 280 S HA -0.261 4.211 4.470 0.004 0.000 0.226 280 S C 1.802 176.343 174.600 -0.098 0.000 1.044 280 S CA 1.846 60.037 58.200 -0.015 0.000 1.062 280 S CB -0.927 62.287 63.200 0.024 0.000 0.931 280 S HN 0.344 nan 8.310 nan 0.000 0.440 281 L N 1.643 122.816 121.223 -0.084 0.000 2.395 281 L HA 0.073 4.415 4.340 0.004 0.000 0.218 281 L C 2.172 178.953 176.870 -0.148 0.000 1.130 281 L CA 1.519 56.283 54.840 -0.126 0.000 0.826 281 L CB -0.728 41.250 42.059 -0.136 0.000 0.941 281 L HN 0.667 nan 8.230 nan 0.000 0.451 282 T N -5.772 108.700 114.554 -0.138 0.000 3.111 282 T HA 0.199 4.551 4.350 0.004 0.000 0.284 282 T C 0.347 174.996 174.700 -0.085 0.000 0.983 282 T CA -0.189 61.856 62.100 -0.092 0.000 0.900 282 T CB -0.288 68.613 68.868 0.056 0.000 1.132 282 T HN -0.119 nan 8.240 nan 0.000 0.531 283 V N 4.042 123.771 119.914 -0.308 0.000 2.458 283 V HA 0.203 4.326 4.120 0.004 0.000 0.287 283 V C -1.105 174.877 176.094 -0.187 0.000 1.009 283 V CA -1.322 60.715 62.300 -0.439 0.000 1.091 283 V CB 1.139 32.591 31.823 -0.619 0.000 0.960 283 V HN 0.115 nan 8.190 nan 0.000 0.476 284 P HA -0.102 nan 4.420 nan 0.000 0.214 284 P C -0.055 176.857 177.300 -0.646 0.000 1.163 284 P CA 1.655 64.509 63.100 -0.410 0.000 0.889 284 P CB 0.074 31.265 31.700 -0.849 0.000 0.790 285 F N -2.069 117.892 119.950 0.018 0.000 2.564 285 F HA 0.438 4.968 4.527 0.004 0.000 0.361 285 F C 1.434 177.244 175.800 0.016 0.000 1.161 285 F CA -0.824 57.194 58.000 0.029 0.000 1.198 285 F CB 0.530 39.540 39.000 0.016 0.000 1.424 285 F HN -0.175 nan 8.300 nan 0.000 0.517 286 G N 0.447 109.316 108.800 0.115 0.000 2.848 286 G HA2 -0.079 3.884 3.960 0.004 0.000 0.208 286 G HA3 -0.079 3.884 3.960 0.004 0.000 0.208 286 G C 1.076 176.025 174.900 0.081 0.000 1.152 286 G CA 0.393 45.528 45.100 0.058 0.000 0.789 286 G HN 0.436 nan 8.290 nan 0.000 0.531 287 Q N 0.299 120.165 119.800 0.110 0.000 2.250 287 Q HA 0.141 4.483 4.340 0.004 0.000 0.200 287 Q C 0.866 176.919 176.000 0.088 0.000 0.941 287 Q CA 0.505 56.359 55.803 0.086 0.000 0.872 287 Q CB 0.120 28.906 28.738 0.081 0.000 0.965 287 Q HN 0.083 nan 8.270 nan 0.000 0.480 288 K N 2.485 122.954 120.400 0.115 0.000 2.401 288 K HA 0.144 4.466 4.320 0.004 0.000 0.278 288 K C -2.032 174.640 176.600 0.119 0.000 1.018 288 K CA -1.058 55.296 56.287 0.111 0.000 0.981 288 K CB -0.034 32.543 32.500 0.127 0.000 0.933 288 K HN 0.094 nan 8.250 nan 0.000 0.477 289 P HA 0.185 nan 4.420 nan 0.000 0.338 289 P C -0.672 176.688 177.300 0.100 0.000 1.308 289 P CA -0.542 62.612 63.100 0.091 0.000 0.753 289 P CB 0.534 32.272 31.700 0.063 0.000 1.579 290 N N -0.392 118.345 118.700 0.061 0.000 2.372 290 N HA 0.263 5.006 4.740 0.004 0.000 0.291 290 N C -0.611 174.883 175.510 -0.026 0.000 1.024 290 N CA -0.606 52.472 53.050 0.047 0.000 0.873 290 N CB 0.150 38.664 38.487 0.045 0.000 1.206 290 N HN 0.141 nan 8.380 nan 0.000 0.486 291 I N 2.492 123.039 120.570 -0.038 0.000 2.471 291 I HA 0.086 4.259 4.170 0.004 0.000 0.294 291 I C -0.011 176.032 176.117 -0.124 0.000 1.123 291 I CA 0.389 61.606 61.300 -0.138 0.000 1.336 291 I CB -0.918 37.001 38.000 -0.135 0.000 1.430 291 I HN 0.449 nan 8.210 nan 0.000 0.533 292 D N 5.153 125.457 120.400 -0.159 0.000 2.591 292 D HA 0.242 4.885 4.640 0.004 0.000 0.222 292 D C 0.376 176.567 176.300 -0.181 0.000 1.360 292 D CA -0.375 53.543 54.000 -0.137 0.000 0.967 292 D CB 1.562 42.312 40.800 -0.083 0.000 1.456 292 D HN 0.196 nan 8.370 nan 0.000 0.588 293 V N 1.536 121.315 119.914 -0.224 0.000 3.542 293 V HA 0.174 4.296 4.120 0.004 0.000 0.296 293 V C 1.953 177.878 176.094 -0.282 0.000 1.364 293 V CA 0.704 62.833 62.300 -0.285 0.000 1.118 293 V CB -0.073 31.520 31.823 -0.384 0.000 0.972 293 V HN 0.593 nan 8.190 nan 0.000 0.430 294 T N 2.437 116.870 114.554 -0.201 0.000 2.665 294 T HA -0.276 4.076 4.350 0.004 0.000 0.268 294 T C 1.507 176.117 174.700 -0.151 0.000 1.035 294 T CA 2.590 64.595 62.100 -0.158 0.000 1.151 294 T CB -0.607 68.211 68.868 -0.084 0.000 0.862 294 T HN 0.811 nan 8.240 nan 0.000 0.438 295 D N 0.456 120.778 120.400 -0.129 0.000 2.363 295 D HA 0.200 4.842 4.640 0.004 0.000 0.226 295 D C 1.433 177.653 176.300 -0.134 0.000 1.020 295 D CA 0.739 54.676 54.000 -0.106 0.000 0.892 295 D CB -0.308 40.446 40.800 -0.077 0.000 0.900 295 D HN 0.585 nan 8.370 nan 0.000 0.531 296 A N -0.418 122.282 122.820 -0.200 0.000 2.382 296 A HA 0.311 4.633 4.320 0.004 0.000 0.228 296 A C 1.969 179.334 177.584 -0.365 0.000 1.217 296 A CA -0.238 51.658 52.037 -0.235 0.000 0.923 296 A CB -0.055 18.801 19.000 -0.239 0.000 0.979 296 A HN 0.073 nan 8.150 nan 0.000 0.515 297 M N -0.635 118.704 119.600 -0.434 0.000 2.248 297 M HA -0.039 4.443 4.480 0.004 0.000 0.265 297 M C 1.795 177.935 176.300 -0.267 0.000 1.079 297 M CA 1.206 56.122 55.300 -0.640 0.000 1.150 297 M CB -0.212 32.050 32.600 -0.564 0.000 1.366 297 M HN 0.169 nan 8.290 nan 0.000 0.433 298 V N 0.425 120.261 119.914 -0.131 0.000 2.594 298 V HA -0.245 3.877 4.120 0.004 0.000 0.253 298 V C 1.886 177.970 176.094 -0.018 0.000 1.069 298 V CA 1.801 64.086 62.300 -0.026 0.000 1.082 298 V CB -0.826 30.984 31.823 -0.022 0.000 0.680 298 V HN 0.431 nan 8.190 nan 0.000 0.469 299 D N 0.501 120.860 120.400 -0.068 0.000 2.144 299 D HA -0.169 4.473 4.640 0.004 0.000 0.199 299 D C 1.916 178.216 176.300 -0.000 0.000 0.984 299 D CA 1.244 55.216 54.000 -0.046 0.000 0.834 299 D CB -0.043 40.706 40.800 -0.084 0.000 0.955 299 D HN 0.549 nan 8.370 nan 0.000 0.465 300 Q N -0.556 119.255 119.800 0.018 0.000 2.211 300 Q HA 0.498 4.841 4.340 0.004 0.000 0.231 300 Q C 0.139 176.311 176.000 0.287 0.000 0.865 300 Q CA 0.177 56.077 55.803 0.161 0.000 0.997 300 Q CB 0.658 29.550 28.738 0.257 0.000 1.101 300 Q HN 0.232 nan 8.270 nan 0.000 0.468 301 A N 0.272 123.201 122.820 0.183 0.000 2.311 301 A HA -0.198 4.124 4.320 0.004 0.000 0.284 301 A C -0.648 177.107 177.584 0.284 0.000 1.409 301 A CA 0.353 52.499 52.037 0.181 0.000 0.764 301 A CB -1.554 17.512 19.000 0.110 0.000 1.095 301 A HN 0.472 nan 8.150 nan 0.000 0.369 302 W N 0.197 121.507 121.300 0.018 0.000 2.184 302 W HA 0.510 5.172 4.660 0.004 0.000 0.338 302 W C 0.616 177.168 176.519 0.056 0.000 1.257 302 W CA 0.359 57.726 57.345 0.036 0.000 1.243 302 W CB 0.537 30.015 29.460 0.030 0.000 1.122 302 W HN 0.750 nan 8.180 nan 0.000 0.585 303 D N -0.566 119.980 120.400 0.244 0.000 2.614 303 D HA 0.586 5.228 4.640 0.004 0.000 0.264 303 D C 0.858 177.302 176.300 0.241 0.000 1.092 303 D CA -0.307 53.817 54.000 0.207 0.000 1.071 303 D CB 0.326 41.207 40.800 0.135 0.000 1.443 303 D HN 0.327 nan 8.370 nan 0.000 0.528 304 A N -0.093 122.880 122.820 0.255 0.000 1.882 304 A HA -0.357 3.966 4.320 0.004 0.000 0.220 304 A C 1.967 179.834 177.584 0.471 0.000 1.253 304 A CA 2.484 54.744 52.037 0.372 0.000 0.664 304 A CB -1.345 17.840 19.000 0.307 0.000 0.838 304 A HN 0.661 nan 8.150 nan 0.000 0.460 305 Q N -1.620 118.378 119.800 0.331 0.000 2.152 305 Q HA -0.257 4.086 4.340 0.004 0.000 0.206 305 Q C 2.337 178.486 176.000 0.248 0.000 0.985 305 Q CA 1.910 57.911 55.803 0.330 0.000 0.863 305 Q CB -0.238 28.589 28.738 0.148 0.000 0.904 305 Q HN 0.638 nan 8.270 nan 0.000 0.422 306 R N 0.867 121.420 120.500 0.088 0.000 2.091 306 R HA -0.137 4.206 4.340 0.004 0.000 0.238 306 R C 2.114 178.414 176.300 0.000 0.000 1.136 306 R CA 1.181 57.203 56.100 -0.131 0.000 0.959 306 R CB -0.346 29.679 30.300 -0.459 0.000 0.856 306 R HN 0.184 nan 8.270 nan 0.000 0.437 307 I N -0.119 120.579 120.570 0.214 0.000 2.163 307 I HA -0.255 3.918 4.170 0.004 0.000 0.243 307 I C 1.942 178.077 176.117 0.030 0.000 1.085 307 I CA 1.628 63.063 61.300 0.224 0.000 1.347 307 I CB -1.143 36.902 38.000 0.076 0.000 1.044 307 I HN 0.094 nan 8.210 nan 0.000 0.408 308 F N 0.961 121.075 119.950 0.273 0.000 2.270 308 F HA -0.057 4.473 4.527 0.004 0.000 0.295 308 F C 2.484 178.541 175.800 0.429 0.000 1.087 308 F CA 0.803 58.991 58.000 0.313 0.000 1.365 308 F CB -0.495 38.726 39.000 0.369 0.000 1.056 308 F HN -0.092 nan 8.300 nan 0.000 0.506 309 K N 0.679 121.444 120.400 0.608 0.000 2.152 309 K HA -0.204 4.118 4.320 0.004 0.000 0.206 309 K C 1.883 178.631 176.600 0.245 0.000 1.048 309 K CA 1.296 57.814 56.287 0.385 0.000 0.933 309 K CB -0.200 32.355 32.500 0.092 0.000 0.721 309 K HN 0.091 nan 8.250 nan 0.000 0.447 310 E N -0.735 119.580 120.200 0.192 0.000 2.076 310 E HA 0.039 4.391 4.350 0.004 0.000 0.190 310 E C 1.666 178.393 176.600 0.211 0.000 0.979 310 E CA 1.173 57.698 56.400 0.209 0.000 0.807 310 E CB -0.179 29.705 29.700 0.308 0.000 0.761 310 E HN 0.306 nan 8.360 nan 0.000 0.454 311 A N 0.662 123.467 122.820 -0.026 0.000 1.930 311 A HA -0.212 4.111 4.320 0.004 0.000 0.217 311 A C 2.134 179.815 177.584 0.162 0.000 1.175 311 A CA 1.656 53.478 52.037 -0.359 0.000 0.627 311 A CB -0.566 17.960 19.000 -0.789 0.000 0.815 311 A HN 0.354 nan 8.150 nan 0.000 0.443 312 E N -0.033 120.323 120.200 0.259 0.000 2.058 312 E HA -0.257 4.095 4.350 0.004 0.000 0.194 312 E C 2.074 178.831 176.600 0.262 0.000 0.997 312 E CA 1.561 58.152 56.400 0.318 0.000 0.801 312 E CB -0.152 29.790 29.700 0.403 0.000 0.746 312 E HN 0.613 nan 8.360 nan 0.000 0.450 313 K N -0.079 120.454 120.400 0.222 0.000 2.020 313 K HA -0.223 4.099 4.320 0.004 0.000 0.212 313 K C 2.105 178.801 176.600 0.160 0.000 1.050 313 K CA 1.714 58.103 56.287 0.170 0.000 0.929 313 K CB -0.466 32.130 32.500 0.160 0.000 0.714 313 K HN 0.134 nan 8.250 nan 0.000 0.443 314 F N 0.681 120.675 119.950 0.073 0.000 2.141 314 F HA -0.270 4.259 4.527 0.004 0.000 0.300 314 F C 1.468 177.162 175.800 -0.176 0.000 1.079 314 F CA 1.668 59.645 58.000 -0.038 0.000 1.264 314 F CB -0.279 38.673 39.000 -0.079 0.000 1.011 314 F HN 0.023 nan 8.300 nan 0.000 0.487 315 F N -1.306 118.536 119.950 -0.180 0.000 2.220 315 F HA 0.042 4.571 4.527 0.004 0.000 0.290 315 F C 2.421 178.078 175.800 -0.238 0.000 1.080 315 F CA 1.141 58.951 58.000 -0.317 0.000 1.318 315 F CB -1.278 37.634 39.000 -0.147 0.000 1.063 315 F HN -0.248 nan 8.300 nan 0.000 0.498 316 V N 0.179 120.132 119.914 0.065 0.000 2.794 316 V HA -0.275 3.847 4.120 0.004 0.000 0.260 316 V C 2.363 178.424 176.094 -0.055 0.000 1.103 316 V CA 2.229 64.527 62.300 -0.002 0.000 1.125 316 V CB -0.740 31.099 31.823 0.028 0.000 0.702 316 V HN 0.512 nan 8.190 nan 0.000 0.494 317 S N -0.294 115.348 115.700 -0.096 0.000 2.461 317 S HA -0.056 4.416 4.470 0.004 0.000 0.228 317 S C 1.486 175.998 174.600 -0.146 0.000 1.005 317 S CA 1.133 59.268 58.200 -0.110 0.000 0.942 317 S CB 0.213 63.347 63.200 -0.110 0.000 0.776 317 S HN 0.846 nan 8.310 nan 0.000 0.514 318 V N -2.932 116.862 119.914 -0.200 0.000 3.319 318 V HA 0.721 4.844 4.120 0.004 0.000 0.317 318 V C 1.261 177.271 176.094 -0.140 0.000 1.411 318 V CA 0.004 62.198 62.300 -0.176 0.000 1.112 318 V CB -0.729 30.951 31.823 -0.237 0.000 1.031 318 V HN 0.726 nan 8.190 nan 0.000 0.448 319 G N 0.814 109.533 108.800 -0.134 0.000 2.132 319 G HA2 -0.210 3.752 3.960 0.004 0.000 0.234 319 G HA3 -0.210 3.752 3.960 0.004 0.000 0.234 319 G C -0.097 174.666 174.900 -0.229 0.000 0.989 319 G CA 0.361 45.367 45.100 -0.156 0.000 0.676 319 G HN 0.570 nan 8.290 nan 0.000 0.522 320 L N 1.175 122.281 121.223 -0.194 0.000 2.456 320 L HA 0.487 4.830 4.340 0.004 0.000 0.257 320 L C -1.173 175.585 176.870 -0.187 0.000 1.162 320 L CA -2.029 52.665 54.840 -0.243 0.000 0.808 320 L CB 0.549 42.504 42.059 -0.173 0.000 1.136 320 L HN 0.007 nan 8.230 nan 0.000 0.466 321 P HA 0.156 nan 4.420 nan 0.000 0.278 321 P C -0.871 176.359 177.300 -0.116 0.000 1.258 321 P CA -0.653 62.355 63.100 -0.152 0.000 0.811 321 P CB 0.610 32.211 31.700 -0.165 0.000 1.063 322 N N 0.316 118.985 118.700 -0.051 0.000 2.231 322 N HA 0.054 4.796 4.740 0.004 0.000 0.223 322 N C 0.733 176.195 175.510 -0.080 0.000 1.329 322 N CA 0.235 53.289 53.050 0.007 0.000 0.889 322 N CB -0.100 38.435 38.487 0.081 0.000 1.125 322 N HN 0.386 nan 8.380 nan 0.000 0.447 323 M N 0.083 119.641 119.600 -0.070 0.000 2.163 323 M HA 0.097 4.579 4.480 0.004 0.000 0.305 323 M C 0.840 177.115 176.300 -0.042 0.000 1.166 323 M CA -0.215 54.887 55.300 -0.329 0.000 1.132 323 M CB -0.186 31.885 32.600 -0.881 0.000 1.413 323 M HN 0.589 nan 8.290 nan 0.000 0.478 324 T N -1.476 113.062 114.554 -0.026 0.000 2.868 324 T HA 0.118 4.471 4.350 0.004 0.000 0.292 324 T C 0.886 175.750 174.700 0.274 0.000 1.028 324 T CA -0.597 61.588 62.100 0.143 0.000 1.059 324 T CB 1.239 70.217 68.868 0.182 0.000 0.991 324 T HN 0.689 nan 8.240 nan 0.000 0.531 325 Q N 1.501 121.449 119.800 0.247 0.000 2.084 325 Q HA -0.094 4.248 4.340 0.004 0.000 0.202 325 Q C 2.295 178.436 176.000 0.234 0.000 0.978 325 Q CA 1.956 57.923 55.803 0.274 0.000 0.844 325 Q CB -1.029 27.807 28.738 0.163 0.000 0.898 325 Q HN 1.008 nan 8.270 nan 0.000 0.426 326 G N -0.061 108.834 108.800 0.158 0.000 2.535 326 G HA2 -0.252 3.710 3.960 0.004 0.000 0.218 326 G HA3 -0.252 3.710 3.960 0.004 0.000 0.218 326 G C 1.075 176.020 174.900 0.075 0.000 1.122 326 G CA 0.456 45.612 45.100 0.093 0.000 0.769 326 G HN 0.485 nan 8.290 nan 0.000 0.549 327 F N -0.390 119.535 119.950 -0.043 0.000 2.149 327 F HA 0.112 4.641 4.527 0.004 0.000 0.294 327 F C 2.244 177.910 175.800 -0.223 0.000 1.095 327 F CA 0.993 58.879 58.000 -0.192 0.000 1.276 327 F CB -0.040 38.764 39.000 -0.327 0.000 1.023 327 F HN 0.185 nan 8.300 nan 0.000 0.480 328 W N 0.952 122.294 121.300 0.070 0.000 2.436 328 W HA -0.012 4.650 4.660 0.004 0.000 0.284 328 W C 2.410 178.870 176.519 -0.100 0.000 1.225 328 W CA 1.014 58.335 57.345 -0.040 0.000 1.271 328 W CB -0.333 29.181 29.460 0.089 0.000 1.114 328 W HN 0.027 nan 8.180 nan 0.000 0.559 329 E N 0.125 120.420 120.200 0.158 0.000 2.046 329 E HA -0.158 4.194 4.350 0.004 0.000 0.190 329 E C 1.618 178.202 176.600 -0.027 0.000 0.982 329 E CA 1.060 57.497 56.400 0.062 0.000 0.800 329 E CB -0.125 29.610 29.700 0.059 0.000 0.756 329 E HN 0.181 nan 8.360 nan 0.000 0.449 330 N N -0.233 118.404 118.700 -0.105 0.000 2.325 330 N HA 0.068 4.811 4.740 0.004 0.000 0.182 330 N C 0.224 175.582 175.510 -0.254 0.000 1.088 330 N CA 0.099 53.044 53.050 -0.175 0.000 0.879 330 N CB 0.636 38.980 38.487 -0.239 0.000 0.983 330 N HN -0.106 nan 8.380 nan 0.000 0.471 331 S N 0.544 116.030 115.700 -0.358 0.000 2.633 331 S HA 0.308 4.780 4.470 0.004 0.000 0.257 331 S C 0.354 174.868 174.600 -0.143 0.000 1.265 331 S CA -0.217 57.738 58.200 -0.407 0.000 0.980 331 S CB 0.794 63.460 63.200 -0.889 0.000 1.017 331 S HN 0.207 nan 8.310 nan 0.000 0.577 332 M N 2.061 121.591 119.600 -0.116 0.000 2.150 332 M HA 0.274 4.757 4.480 0.004 0.000 0.255 332 M C -1.437 174.771 176.300 -0.152 0.000 0.963 332 M CA -0.479 54.763 55.300 -0.097 0.000 1.033 332 M CB 0.582 33.141 32.600 -0.069 0.000 2.007 332 M HN 0.378 nan 8.290 nan 0.000 0.462 333 L N 2.754 123.871 121.223 -0.176 0.000 2.607 333 L HA 0.300 4.642 4.340 0.004 0.000 0.228 333 L C 0.695 177.577 176.870 0.020 0.000 1.123 333 L CA 0.634 55.366 54.840 -0.181 0.000 0.890 333 L CB -0.754 41.089 42.059 -0.361 0.000 1.103 333 L HN 0.767 nan 8.230 nan 0.000 0.468 334 T N -3.955 110.601 114.554 0.003 0.000 2.912 334 T HA 0.348 4.700 4.350 0.004 0.000 0.299 334 T C -0.580 174.116 174.700 -0.006 0.000 1.052 334 T CA -0.889 61.230 62.100 0.032 0.000 0.996 334 T CB 2.537 71.431 68.868 0.044 0.000 1.070 334 T HN -0.085 nan 8.240 nan 0.000 0.465 335 D N 2.859 123.257 120.400 -0.002 0.000 2.450 335 D HA 0.207 4.849 4.640 0.004 0.000 0.247 335 D C -1.668 174.617 176.300 -0.025 0.000 1.162 335 D CA -1.463 52.521 54.000 -0.027 0.000 0.879 335 D CB 0.860 41.649 40.800 -0.020 0.000 1.163 335 D HN 0.326 nan 8.370 nan 0.000 0.472 336 P HA 0.279 nan 4.420 nan 0.000 0.226 336 P C 0.491 177.773 177.300 -0.031 0.000 1.758 336 P CA -0.214 62.864 63.100 -0.037 0.000 0.896 336 P CB 0.171 31.839 31.700 -0.053 0.000 1.784 337 G N 1.521 110.308 108.800 -0.023 0.000 2.601 337 G HA2 -0.262 3.701 3.960 0.004 0.000 0.252 337 G HA3 -0.262 3.701 3.960 0.004 0.000 0.252 337 G C 0.054 174.939 174.900 -0.025 0.000 1.294 337 G CA -0.162 44.928 45.100 -0.018 0.000 0.912 337 G HN 0.544 nan 8.290 nan 0.000 0.574 338 N N -0.791 117.898 118.700 -0.019 0.000 2.452 338 N HA 0.418 5.160 4.740 0.004 0.000 0.296 338 N C 1.528 177.024 175.510 -0.023 0.000 1.304 338 N CA 0.540 53.578 53.050 -0.021 0.000 0.956 338 N CB 0.775 39.254 38.487 -0.014 0.000 1.106 338 N HN 1.561 nan 8.380 nan 0.000 0.555 339 V N -1.737 118.165 119.914 -0.020 0.000 0.465 339 V HA -0.342 3.780 4.120 0.004 0.000 0.092 339 V C 0.695 176.772 176.094 -0.029 0.000 2.474 339 V CA 2.441 64.729 62.300 -0.020 0.000 3.680 339 V CB -1.550 30.263 31.823 -0.016 0.000 0.959 339 V HN 0.944 nan 8.190 nan 0.000 1.006 340 Q N 0.991 120.768 119.800 -0.038 0.000 2.425 340 Q HA 0.454 4.796 4.340 0.004 0.000 0.254 340 Q C -0.519 175.439 176.000 -0.071 0.000 1.032 340 Q CA -0.400 55.369 55.803 -0.056 0.000 0.798 340 Q CB 1.076 29.777 28.738 -0.061 0.000 1.210 340 Q HN 0.617 nan 8.270 nan 0.000 0.491 341 K N 1.844 122.199 120.400 -0.076 0.000 2.185 341 K HA 0.690 5.012 4.320 0.004 0.000 0.269 341 K C -1.183 175.339 176.600 -0.131 0.000 0.987 341 K CA -0.317 55.919 56.287 -0.085 0.000 0.865 341 K CB 1.838 34.302 32.500 -0.059 0.000 1.090 341 K HN 0.563 nan 8.250 nan 0.000 0.450 342 A N 1.954 124.688 122.820 -0.145 0.000 2.386 342 A HA 0.400 4.722 4.320 0.004 0.000 0.311 342 A C -0.887 176.593 177.584 -0.172 0.000 1.068 342 A CA -0.814 51.101 52.037 -0.204 0.000 0.743 342 A CB 1.515 20.378 19.000 -0.229 0.000 1.258 342 A HN 0.567 nan 8.150 nan 0.000 0.429 343 V N 2.329 122.130 119.914 -0.190 0.000 2.485 343 V HA 0.149 4.272 4.120 0.004 0.000 0.287 343 V C 0.604 176.645 176.094 -0.088 0.000 1.022 343 V CA 0.272 62.510 62.300 -0.103 0.000 1.067 343 V CB -0.062 31.750 31.823 -0.018 0.000 0.967 343 V HN 0.913 nan 8.190 nan 0.000 0.479 344 c N 5.758 124.263 118.600 -0.159 0.000 2.626 344 c HA 0.267 4.839 4.570 0.004 0.000 0.266 344 c C 1.023 175.053 174.090 -0.100 0.000 1.317 344 c CA -0.224 56.024 56.329 -0.136 0.000 1.716 344 c CB -2.112 40.312 42.510 -0.143 0.000 1.819 344 c HN 1.006 nan 8.230 nan 0.000 0.578 345 H N 1.801 120.898 119.070 0.044 0.000 3.187 345 H HA 0.099 4.657 4.556 0.004 0.000 0.286 345 H C -2.296 173.092 175.328 0.101 0.000 0.944 345 H CA -0.426 55.659 56.048 0.062 0.000 1.429 345 H CB -0.124 29.668 29.762 0.050 0.000 1.483 345 H HN 0.192 nan 8.280 nan 0.000 0.555 346 P HA -0.033 nan 4.420 nan 0.000 0.258 346 P C -0.540 176.893 177.300 0.222 0.000 1.214 346 P CA 0.224 63.445 63.100 0.202 0.000 0.872 346 P CB 0.258 32.054 31.700 0.160 0.000 0.890 347 T N 0.453 115.176 114.554 0.282 0.000 2.893 347 T HA 0.799 5.151 4.350 0.004 0.000 0.291 347 T C -0.737 174.201 174.700 0.397 0.000 1.028 347 T CA -1.113 61.142 62.100 0.258 0.000 0.995 347 T CB 2.135 71.123 68.868 0.201 0.000 1.051 347 T HN 0.173 nan 8.240 nan 0.000 0.470 348 A N 1.718 124.713 122.820 0.291 0.000 2.318 348 A HA 0.679 5.001 4.320 0.004 0.000 0.324 348 A C -1.462 176.312 177.584 0.317 0.000 1.170 348 A CA -0.949 51.320 52.037 0.387 0.000 0.810 348 A CB 0.492 19.694 19.000 0.338 0.000 1.198 348 A HN 0.780 nan 8.150 nan 0.000 0.484 349 W N 1.453 122.848 121.300 0.158 0.000 2.429 349 W HA 0.484 5.146 4.660 0.004 0.000 0.314 349 W C -0.389 176.200 176.519 0.116 0.000 1.062 349 W CA -0.207 57.207 57.345 0.115 0.000 1.211 349 W CB 1.574 31.082 29.460 0.080 0.000 1.305 349 W HN 0.650 nan 8.180 nan 0.000 0.476 350 D N 3.349 123.918 120.400 0.283 0.000 2.441 350 D HA 0.228 4.870 4.640 0.004 0.000 0.231 350 D C 0.038 176.472 176.300 0.223 0.000 1.073 350 D CA -0.272 53.868 54.000 0.234 0.000 0.850 350 D CB 1.304 42.266 40.800 0.269 0.000 1.062 350 D HN 0.206 nan 8.370 nan 0.000 0.524 351 L N 2.931 124.234 121.223 0.132 0.000 2.354 351 L HA 0.458 4.800 4.340 0.004 0.000 0.212 351 L C 1.451 178.582 176.870 0.435 0.000 1.091 351 L CA 0.836 55.831 54.840 0.258 0.000 0.828 351 L CB -0.487 41.686 42.059 0.190 0.000 0.973 351 L HN 0.728 nan 8.230 nan 0.000 0.461 352 G N -0.654 108.252 108.800 0.178 0.000 2.539 352 G HA2 -0.052 3.911 3.960 0.004 0.000 0.686 352 G HA3 -0.052 3.911 3.960 0.004 0.000 0.686 352 G C -0.373 174.386 174.900 -0.235 0.000 1.258 352 G CA -0.590 44.581 45.100 0.118 0.000 0.846 352 G HN 0.036 nan 8.290 nan 0.000 0.647 353 K N -0.854 119.383 120.400 -0.270 0.000 3.096 353 K HA -0.189 4.134 4.320 0.004 0.000 0.266 353 K C 1.553 177.961 176.600 -0.320 0.000 1.043 353 K CA 1.727 57.794 56.287 -0.367 0.000 0.758 353 K CB -1.624 30.449 32.500 -0.712 0.000 1.260 353 K HN 2.775 nan 8.250 nan 0.000 0.481 354 G N 0.914 109.535 108.800 -0.299 0.000 2.200 354 G HA2 -0.341 3.622 3.960 0.004 0.000 0.267 354 G HA3 -0.341 3.622 3.960 0.004 0.000 0.267 354 G C -0.114 174.541 174.900 -0.408 0.000 0.993 354 G CA 0.701 45.638 45.100 -0.271 0.000 0.701 354 G HN 0.587 nan 8.290 nan 0.000 0.524 355 D N 0.266 120.367 120.400 -0.499 0.000 2.339 355 D HA 0.513 5.156 4.640 0.004 0.000 0.241 355 D C -0.107 175.879 176.300 -0.523 0.000 1.183 355 D CA -0.267 53.547 54.000 -0.311 0.000 0.859 355 D CB -0.167 40.581 40.800 -0.086 0.000 1.067 355 D HN 0.116 nan 8.370 nan 0.000 0.484 356 F N 3.423 123.398 119.950 0.041 0.000 2.532 356 F HA 0.568 5.098 4.527 0.004 0.000 0.321 356 F C 0.689 176.575 175.800 0.143 0.000 1.089 356 F CA -1.003 57.050 58.000 0.088 0.000 0.926 356 F CB 1.660 40.703 39.000 0.070 0.000 1.168 356 F HN 0.226 nan 8.300 nan 0.000 0.459 357 R N 1.879 122.546 120.500 0.278 0.000 2.716 357 R HA 0.794 5.136 4.340 0.004 0.000 0.271 357 R C -2.207 174.159 176.300 0.111 0.000 1.028 357 R CA -0.953 55.132 56.100 -0.025 0.000 0.883 357 R CB 1.892 31.888 30.300 -0.506 0.000 1.250 357 R HN 0.625 nan 8.270 nan 0.000 0.465 358 I N 1.720 122.241 120.570 -0.082 0.000 2.569 358 I HA 0.372 4.544 4.170 0.004 0.000 0.296 358 I C -1.176 175.007 176.117 0.110 0.000 1.028 358 I CA -1.416 59.968 61.300 0.142 0.000 1.082 358 I CB 2.182 40.266 38.000 0.140 0.000 1.264 358 I HN 0.495 nan 8.210 nan 0.000 0.429 359 L N 7.545 128.931 121.223 0.272 0.000 2.318 359 L HA 0.655 4.997 4.340 0.004 0.000 0.277 359 L C -1.154 175.807 176.870 0.151 0.000 1.008 359 L CA -0.060 54.863 54.840 0.139 0.000 0.846 359 L CB 1.103 43.163 42.059 0.002 0.000 1.220 359 L HN 0.645 nan 8.230 nan 0.000 0.423 360 M N 4.834 124.487 119.600 0.088 0.000 2.322 360 M HA 0.315 4.797 4.480 0.004 0.000 0.286 360 M C -1.257 175.103 176.300 0.100 0.000 1.111 360 M CA -0.410 54.978 55.300 0.146 0.000 0.941 360 M CB 2.181 34.954 32.600 0.288 0.000 1.671 360 M HN 0.626 nan 8.290 nan 0.000 0.470 361 c N 2.521 121.171 118.600 0.082 0.000 2.700 361 c HA 0.257 4.830 4.570 0.004 0.000 0.529 361 c C 0.578 174.731 174.090 0.105 0.000 1.093 361 c CA -0.532 55.832 56.329 0.058 0.000 1.320 361 c CB -1.736 40.780 42.510 0.010 0.000 1.478 361 c HN 0.706 nan 8.230 nan 0.000 0.598 362 T N 2.711 117.370 114.554 0.174 0.000 2.831 362 T HA 0.055 4.408 4.350 0.004 0.000 0.291 362 T C 0.110 174.909 174.700 0.165 0.000 0.981 362 T CA 0.750 62.988 62.100 0.229 0.000 1.174 362 T CB 0.276 69.387 68.868 0.406 0.000 0.929 362 T HN 0.555 nan 8.240 nan 0.000 0.532 363 K N 1.910 122.392 120.400 0.137 0.000 2.207 363 K HA 0.467 4.790 4.320 0.004 0.000 0.255 363 K C -0.510 176.162 176.600 0.121 0.000 0.941 363 K CA -0.812 55.541 56.287 0.110 0.000 0.825 363 K CB 1.764 34.309 32.500 0.075 0.000 1.119 363 K HN 0.286 nan 8.250 nan 0.000 0.430 364 V N 3.716 123.698 119.914 0.114 0.000 2.356 364 V HA 0.090 4.212 4.120 0.004 0.000 0.244 364 V C -0.557 175.572 176.094 0.058 0.000 1.120 364 V CA 0.339 62.709 62.300 0.116 0.000 1.181 364 V CB -1.016 30.878 31.823 0.119 0.000 1.244 364 V HN 0.786 nan 8.190 nan 0.000 0.487 365 T N 3.323 117.917 114.554 0.066 0.000 2.942 365 T HA 0.280 4.633 4.350 0.004 0.000 0.327 365 T C 0.611 175.342 174.700 0.053 0.000 1.360 365 T CA -0.676 61.440 62.100 0.027 0.000 1.055 365 T CB 1.968 70.861 68.868 0.042 0.000 1.261 365 T HN 0.365 nan 8.240 nan 0.000 0.485 366 M N 1.281 120.873 119.600 -0.013 0.000 2.088 366 M HA -0.205 4.278 4.480 0.004 0.000 0.256 366 M C 1.468 177.863 176.300 0.158 0.000 1.071 366 M CA 2.062 57.379 55.300 0.028 0.000 1.097 366 M CB -0.177 32.393 32.600 -0.051 0.000 1.315 366 M HN 0.652 nan 8.290 nan 0.000 0.406 367 D N 0.180 120.632 120.400 0.088 0.000 2.123 367 D HA -0.176 4.467 4.640 0.004 0.000 0.196 367 D C 1.596 177.955 176.300 0.099 0.000 0.992 367 D CA 1.447 55.496 54.000 0.081 0.000 0.833 367 D CB -0.413 40.414 40.800 0.045 0.000 0.954 367 D HN 0.432 nan 8.370 nan 0.000 0.455 368 D N -0.431 120.035 120.400 0.111 0.000 2.178 368 D HA -0.103 4.539 4.640 0.004 0.000 0.202 368 D C 1.805 178.174 176.300 0.116 0.000 0.974 368 D CA 0.153 54.220 54.000 0.112 0.000 0.841 368 D CB -0.303 40.569 40.800 0.120 0.000 0.953 368 D HN 0.208 nan 8.370 nan 0.000 0.478 369 F N 1.027 120.985 119.950 0.013 0.000 2.102 369 F HA -0.167 4.362 4.527 0.004 0.000 0.298 369 F C 1.993 177.839 175.800 0.077 0.000 1.105 369 F CA 1.266 59.282 58.000 0.027 0.000 1.239 369 F CB -0.296 38.731 39.000 0.045 0.000 0.991 369 F HN -0.114 nan 8.300 nan 0.000 0.474 370 L N -0.070 121.172 121.223 0.031 0.000 2.046 370 L HA -0.221 4.121 4.340 0.004 0.000 0.208 370 L C 2.446 179.294 176.870 -0.036 0.000 1.077 370 L CA 1.885 56.669 54.840 -0.093 0.000 0.747 370 L CB -1.202 40.881 42.059 0.040 0.000 0.896 370 L HN 0.175 nan 8.230 nan 0.000 0.432 371 T N -0.125 114.438 114.554 0.015 0.000 2.652 371 T HA -0.251 4.102 4.350 0.004 0.000 0.267 371 T C 2.043 176.789 174.700 0.077 0.000 1.039 371 T CA 1.437 63.566 62.100 0.049 0.000 1.153 371 T CB -0.417 68.481 68.868 0.051 0.000 0.863 371 T HN 0.458 nan 8.240 nan 0.000 0.428 372 A N 1.307 124.104 122.820 -0.038 0.000 1.903 372 A HA -0.279 4.043 4.320 0.004 0.000 0.219 372 A C 1.955 179.483 177.584 -0.093 0.000 1.191 372 A CA 2.434 54.374 52.037 -0.163 0.000 0.638 372 A CB -1.142 17.405 19.000 -0.756 0.000 0.823 372 A HN 0.647 nan 8.150 nan 0.000 0.451 373 H N -2.291 116.651 119.070 -0.214 0.000 2.352 373 H HA -0.151 4.408 4.556 0.004 0.000 0.299 373 H C 2.000 177.376 175.328 0.080 0.000 1.097 373 H CA 2.011 57.981 56.048 -0.131 0.000 1.311 373 H CB -0.332 29.158 29.762 -0.453 0.000 1.377 373 H HN 0.856 nan 8.280 nan 0.000 0.504 374 H N 0.371 119.487 119.070 0.077 0.000 2.270 374 H HA -0.114 4.444 4.556 0.004 0.000 0.299 374 H C 1.976 177.348 175.328 0.074 0.000 1.077 374 H CA 1.563 57.641 56.048 0.051 0.000 1.294 374 H CB 0.364 30.145 29.762 0.032 0.000 1.371 374 H HN 0.229 nan 8.280 nan 0.000 0.491 375 E N 0.494 120.948 120.200 0.423 0.000 2.051 375 E HA -0.207 4.145 4.350 0.004 0.000 0.192 375 E C 2.320 179.113 176.600 0.321 0.000 0.991 375 E CA 0.977 57.638 56.400 0.435 0.000 0.799 375 E CB -0.392 29.552 29.700 0.408 0.000 0.748 375 E HN 0.590 nan 8.360 nan 0.000 0.449 376 M N 0.422 120.189 119.600 0.277 0.000 2.446 376 M HA -0.073 4.409 4.480 0.004 0.000 0.263 376 M C 1.885 178.163 176.300 -0.037 0.000 1.066 376 M CA 1.226 56.619 55.300 0.156 0.000 1.087 376 M CB -0.223 32.504 32.600 0.212 0.000 1.406 376 M HN 0.091 nan 8.290 nan 0.000 0.459 377 G N -1.064 107.791 108.800 0.092 0.000 2.403 377 G HA2 -0.197 3.766 3.960 0.004 0.000 0.216 377 G HA3 -0.197 3.766 3.960 0.004 0.000 0.216 377 G C 1.198 176.078 174.900 -0.034 0.000 1.154 377 G CA 0.359 45.448 45.100 -0.018 0.000 0.784 377 G HN 0.464 nan 8.290 nan 0.000 0.538 378 H N 0.285 119.439 119.070 0.141 0.000 2.321 378 H HA -0.018 4.540 4.556 0.004 0.000 0.300 378 H C 2.703 178.102 175.328 0.117 0.000 1.087 378 H CA 1.129 57.312 56.048 0.224 0.000 1.319 378 H CB -0.256 29.601 29.762 0.159 0.000 1.379 378 H HN 0.254 nan 8.280 nan 0.000 0.501 379 I N 1.142 121.796 120.570 0.139 0.000 2.151 379 I HA -0.291 3.881 4.170 0.004 0.000 0.243 379 I C 2.764 178.721 176.117 -0.267 0.000 1.080 379 I CA 1.314 62.591 61.300 -0.039 0.000 1.339 379 I CB -0.379 37.557 38.000 -0.108 0.000 1.039 379 I HN 0.137 nan 8.210 nan 0.000 0.409 380 Q N -0.525 119.066 119.800 -0.347 0.000 2.045 380 Q HA -0.291 4.051 4.340 0.004 0.000 0.206 380 Q C 2.296 178.146 176.000 -0.251 0.000 0.991 380 Q CA 2.123 57.673 55.803 -0.422 0.000 0.851 380 Q CB -0.608 27.766 28.738 -0.607 0.000 0.911 380 Q HN 0.647 nan 8.270 nan 0.000 0.418 381 Y N 0.304 120.440 120.300 -0.273 0.000 2.081 381 Y HA -0.348 4.204 4.550 0.004 0.000 0.280 381 Y C 1.761 177.268 175.900 -0.655 0.000 1.163 381 Y CA 1.136 59.050 58.100 -0.310 0.000 1.135 381 Y CB 0.022 38.369 38.460 -0.188 0.000 0.970 381 Y HN 0.256 nan 8.280 nan 0.000 0.498 382 D N 0.363 120.532 120.400 -0.386 0.000 2.127 382 D HA -0.294 4.348 4.640 0.004 0.000 0.190 382 D C 2.149 178.143 176.300 -0.510 0.000 1.000 382 D CA 2.126 55.758 54.000 -0.613 0.000 0.839 382 D CB -0.527 40.275 40.800 0.005 0.000 0.955 382 D HN 0.451 nan 8.370 nan 0.000 0.446 383 M N 0.361 119.567 119.600 -0.657 0.000 2.195 383 M HA -0.177 4.306 4.480 0.004 0.000 0.260 383 M C 2.248 178.409 176.300 -0.233 0.000 1.066 383 M CA 1.291 56.194 55.300 -0.663 0.000 1.089 383 M CB -0.227 31.910 32.600 -0.770 0.000 1.377 383 M HN 0.002 nan 8.290 nan 0.000 0.411 384 A N 0.520 123.220 122.820 -0.200 0.000 1.832 384 A HA -0.181 4.142 4.320 0.004 0.000 0.214 384 A C 1.833 179.412 177.584 -0.008 0.000 1.200 384 A CA 1.403 53.413 52.037 -0.044 0.000 0.610 384 A CB -1.292 17.656 19.000 -0.087 0.000 0.842 384 A HN 0.706 nan 8.150 nan 0.000 0.444 385 Y N -1.780 118.558 120.300 0.063 0.000 2.553 385 Y HA 0.483 5.035 4.550 0.004 0.000 0.303 385 Y C 1.932 177.859 175.900 0.045 0.000 1.194 385 Y CA 0.139 58.258 58.100 0.031 0.000 1.305 385 Y CB -0.523 37.957 38.460 0.033 0.000 1.045 385 Y HN 0.227 nan 8.280 nan 0.000 0.514 386 A N 1.533 124.500 122.820 0.245 0.000 1.930 386 A HA -0.064 4.258 4.320 0.004 0.000 0.217 386 A C 2.462 180.156 177.584 0.184 0.000 1.175 386 A CA 1.477 53.675 52.037 0.269 0.000 0.627 386 A CB -1.074 18.116 19.000 0.316 0.000 0.815 386 A HN 0.660 nan 8.150 nan 0.000 0.443 387 A N -0.599 122.304 122.820 0.138 0.000 1.917 387 A HA -0.133 4.189 4.320 0.004 0.000 0.219 387 A C 1.270 178.904 177.584 0.084 0.000 1.182 387 A CA 1.081 53.176 52.037 0.097 0.000 0.633 387 A CB -0.579 18.466 19.000 0.075 0.000 0.819 387 A HN 0.553 nan 8.150 nan 0.000 0.448 388 Q N 0.206 120.058 119.800 0.086 0.000 2.375 388 Q HA 0.036 4.378 4.340 0.004 0.000 0.344 388 Q C -2.235 173.794 176.000 0.049 0.000 1.169 388 Q CA -0.737 55.096 55.803 0.050 0.000 1.035 388 Q CB -0.518 28.237 28.738 0.029 0.000 1.222 388 Q HN 0.382 nan 8.270 nan 0.000 0.412 389 P HA -0.082 nan 4.420 nan 0.000 0.268 389 P C 0.564 177.913 177.300 0.082 0.000 1.205 389 P CA -0.062 63.072 63.100 0.055 0.000 0.771 389 P CB 0.307 32.027 31.700 0.034 0.000 0.858 390 F N 3.086 123.025 119.950 -0.018 0.000 2.063 390 F HA -0.284 4.245 4.527 0.004 0.000 0.296 390 F C 1.916 177.697 175.800 -0.032 0.000 1.093 390 F CA 1.902 59.893 58.000 -0.014 0.000 1.229 390 F CB -0.617 38.410 39.000 0.045 0.000 0.971 390 F HN 0.182 nan 8.300 nan 0.000 0.491 391 L N -0.664 120.634 121.223 0.125 0.000 2.478 391 L HA -0.121 4.222 4.340 0.004 0.000 0.223 391 L C 1.269 178.051 176.870 -0.147 0.000 1.140 391 L CA 0.103 54.940 54.840 -0.005 0.000 0.842 391 L CB -0.220 41.881 42.059 0.070 0.000 0.953 391 L HN 0.184 nan 8.230 nan 0.000 0.452 392 L N -0.758 120.371 121.223 -0.156 0.000 2.628 392 L HA 0.126 4.468 4.340 0.004 0.000 0.229 392 L C 0.873 177.530 176.870 -0.355 0.000 1.137 392 L CA 0.595 55.315 54.840 -0.200 0.000 0.909 392 L CB -0.177 41.810 42.059 -0.120 0.000 1.137 392 L HN -0.023 nan 8.230 nan 0.000 0.470 393 R N 0.826 121.048 120.500 -0.464 0.000 2.870 393 R HA 0.340 4.683 4.340 0.004 0.000 0.254 393 R C -0.516 175.089 176.300 -1.158 0.000 1.392 393 R CA 0.055 55.676 56.100 -0.799 0.000 1.322 393 R CB -0.162 29.906 30.300 -0.387 0.000 1.205 393 R HN 0.273 nan 8.270 nan 0.000 0.597 394 N N -1.004 116.843 118.700 -1.421 0.000 3.185 394 N HA 0.184 4.926 4.740 0.004 0.000 0.238 394 N C -0.935 174.200 175.510 -0.625 0.000 1.451 394 N CA -0.755 51.788 53.050 -0.845 0.000 0.888 394 N CB 1.352 39.592 38.487 -0.412 0.000 1.413 394 N HN 0.377 nan 8.380 nan 0.000 0.511 395 G N 0.022 108.620 108.800 -0.336 0.000 2.414 395 G HA2 0.323 4.285 3.960 0.004 0.000 0.236 395 G HA3 0.323 4.285 3.960 0.004 0.000 0.236 395 G C 1.100 175.861 174.900 -0.232 0.000 1.293 395 G CA 0.389 45.352 45.100 -0.229 0.000 0.869 395 G HN 0.727 nan 8.290 nan 0.000 0.556 396 A N 2.999 125.598 122.820 -0.368 0.000 1.873 396 A HA -0.187 4.135 4.320 0.004 0.000 0.219 396 A C 1.571 178.839 177.584 -0.526 0.000 1.269 396 A CA 2.302 53.935 52.037 -0.673 0.000 0.671 396 A CB -0.770 17.335 19.000 -1.492 0.000 0.842 396 A HN 1.010 nan 8.150 nan 0.000 0.460 397 N N -1.561 116.783 118.700 -0.593 0.000 2.619 397 N HA 0.272 5.014 4.740 0.004 0.000 0.294 397 N C 0.350 175.755 175.510 -0.174 0.000 1.279 397 N CA -0.048 52.768 53.050 -0.390 0.000 0.867 397 N CB 0.377 38.445 38.487 -0.698 0.000 1.329 397 N HN 0.496 nan 8.380 nan 0.000 0.557 398 E N -1.782 118.252 120.200 -0.275 0.000 2.273 398 E HA -0.143 4.209 4.350 0.004 0.000 0.198 398 E C 1.036 177.627 176.600 -0.016 0.000 1.002 398 E CA 1.466 57.773 56.400 -0.156 0.000 0.828 398 E CB -0.607 28.953 29.700 -0.233 0.000 0.747 398 E HN 0.726 nan 8.360 nan 0.000 0.491 399 G N -0.644 108.224 108.800 0.112 0.000 2.887 399 G HA2 0.011 3.973 3.960 0.004 0.000 0.211 399 G HA3 0.011 3.973 3.960 0.004 0.000 0.211 399 G C 0.851 176.011 174.900 0.433 0.000 1.152 399 G CA -0.271 44.977 45.100 0.246 0.000 0.769 399 G HN 0.113 nan 8.290 nan 0.000 0.541 400 F N 0.695 120.775 119.950 0.216 0.000 2.113 400 F HA 0.064 4.593 4.527 0.004 0.000 0.297 400 F C 2.584 178.638 175.800 0.422 0.000 1.103 400 F CA 0.755 58.955 58.000 0.334 0.000 1.248 400 F CB -0.501 38.681 39.000 0.303 0.000 0.999 400 F HN 0.147 nan 8.300 nan 0.000 0.475 401 H N 0.487 119.857 119.070 0.499 0.000 2.267 401 H HA -0.138 4.421 4.556 0.004 0.000 0.297 401 H C 2.219 177.834 175.328 0.478 0.000 1.080 401 H CA 1.872 58.209 56.048 0.482 0.000 1.278 401 H CB -0.234 29.681 29.762 0.256 0.000 1.365 401 H HN 0.150 nan 8.280 nan 0.000 0.489 402 E N 0.442 120.972 120.200 0.549 0.000 2.160 402 E HA -0.128 4.224 4.350 0.004 0.000 0.195 402 E C 2.322 179.018 176.600 0.159 0.000 0.991 402 E CA 0.790 57.423 56.400 0.388 0.000 0.810 402 E CB -0.303 29.566 29.700 0.282 0.000 0.742 402 E HN 0.443 nan 8.360 nan 0.000 0.466 403 A N 0.985 123.904 122.820 0.164 0.000 1.873 403 A HA -0.191 4.132 4.320 0.004 0.000 0.218 403 A C 2.639 180.270 177.584 0.079 0.000 1.193 403 A CA 1.788 53.862 52.037 0.061 0.000 0.629 403 A CB -0.881 18.138 19.000 0.031 0.000 0.826 403 A HN 0.159 nan 8.150 nan 0.000 0.447 404 V N -0.052 119.964 119.914 0.170 0.000 2.332 404 V HA -0.217 3.905 4.120 0.004 0.000 0.248 404 V C 2.801 178.793 176.094 -0.170 0.000 1.055 404 V CA 2.029 64.353 62.300 0.040 0.000 1.038 404 V CB -1.457 30.400 31.823 0.057 0.000 0.651 404 V HN 0.668 nan 8.190 nan 0.000 0.450 405 G N -0.516 108.050 108.800 -0.390 0.000 2.491 405 G HA2 -0.264 3.698 3.960 0.004 0.000 0.218 405 G HA3 -0.264 3.698 3.960 0.004 0.000 0.218 405 G C 1.486 175.760 174.900 -1.044 0.000 1.180 405 G CA 0.888 45.341 45.100 -1.079 0.000 0.774 405 G HN 0.493 nan 8.290 nan 0.000 0.562 406 E N 0.150 120.040 120.200 -0.517 0.000 2.106 406 E HA -0.064 4.288 4.350 0.004 0.000 0.192 406 E C 2.637 179.121 176.600 -0.193 0.000 0.984 406 E CA 0.344 56.625 56.400 -0.199 0.000 0.806 406 E CB -0.203 29.433 29.700 -0.107 0.000 0.750 406 E HN 0.323 nan 8.360 nan 0.000 0.458 407 I N 1.339 121.799 120.570 -0.184 0.000 2.264 407 I HA -0.277 3.895 4.170 0.004 0.000 0.248 407 I C 2.179 178.232 176.117 -0.107 0.000 1.111 407 I CA 1.200 62.423 61.300 -0.129 0.000 1.382 407 I CB -0.735 37.242 38.000 -0.038 0.000 1.060 407 I HN 0.101 nan 8.210 nan 0.000 0.418 408 M N -0.385 119.159 119.600 -0.093 0.000 2.117 408 M HA -0.110 4.372 4.480 0.004 0.000 0.262 408 M C 2.412 178.525 176.300 -0.311 0.000 1.065 408 M CA 1.416 56.629 55.300 -0.145 0.000 1.114 408 M CB -1.953 30.676 32.600 0.048 0.000 1.361 408 M HN 0.157 nan 8.290 nan 0.000 0.408 409 S N 1.092 116.685 115.700 -0.178 0.000 2.368 409 S HA -0.102 4.370 4.470 0.004 0.000 0.225 409 S C 1.991 176.486 174.600 -0.175 0.000 1.030 409 S CA 0.929 59.039 58.200 -0.151 0.000 0.999 409 S CB -0.509 62.699 63.200 0.014 0.000 0.844 409 S HN 0.241 nan 8.310 nan 0.000 0.459 410 L N 1.847 122.987 121.223 -0.137 0.000 1.971 410 L HA -0.114 4.229 4.340 0.004 0.000 0.215 410 L C 2.593 179.386 176.870 -0.128 0.000 1.072 410 L CA 1.701 56.494 54.840 -0.079 0.000 0.758 410 L CB -1.327 40.670 42.059 -0.103 0.000 0.889 410 L HN 0.207 nan 8.230 nan 0.000 0.433 411 S N -0.910 114.657 115.700 -0.222 0.000 2.348 411 S HA -0.156 4.316 4.470 0.004 0.000 0.221 411 S C 1.954 176.247 174.600 -0.511 0.000 1.033 411 S CA 1.121 59.144 58.200 -0.295 0.000 1.010 411 S CB -0.480 62.577 63.200 -0.238 0.000 0.891 411 S HN 0.555 nan 8.310 nan 0.000 0.442 412 A N 0.540 122.881 122.820 -0.799 0.000 2.178 412 A HA 0.249 4.571 4.320 0.004 0.000 0.218 412 A C 1.902 179.269 177.584 -0.362 0.000 1.157 412 A CA 1.388 52.821 52.037 -1.006 0.000 0.689 412 A CB -0.491 17.634 19.000 -1.457 0.000 0.787 412 A HN 0.493 nan 8.150 nan 0.000 0.465 413 A N -0.456 122.225 122.820 -0.231 0.000 2.303 413 A HA 0.322 4.644 4.320 0.004 0.000 0.217 413 A C 1.329 178.832 177.584 -0.134 0.000 1.205 413 A CA 0.788 52.766 52.037 -0.099 0.000 0.875 413 A CB -0.720 18.253 19.000 -0.045 0.000 0.910 413 A HN 0.573 nan 8.150 nan 0.000 0.501 414 T N -2.193 112.281 114.554 -0.133 0.000 2.930 414 T HA 0.293 4.645 4.350 0.004 0.000 0.306 414 T C -1.660 172.993 174.700 -0.079 0.000 1.045 414 T CA -1.070 60.949 62.100 -0.135 0.000 1.134 414 T CB 0.866 69.670 68.868 -0.107 0.000 0.961 414 T HN -0.014 nan 8.240 nan 0.000 0.545 415 P HA -0.075 nan 4.420 nan 0.000 0.220 415 P C 1.406 178.716 177.300 0.016 0.000 1.144 415 P CA 0.925 64.013 63.100 -0.020 0.000 0.800 415 P CB 0.123 31.859 31.700 0.060 0.000 0.772 416 K N -0.934 119.476 120.400 0.016 0.000 1.984 416 K HA -0.210 4.113 4.320 0.004 0.000 0.209 416 K C 2.165 178.797 176.600 0.052 0.000 1.046 416 K CA 1.337 57.645 56.287 0.036 0.000 0.934 416 K CB -0.584 31.941 32.500 0.041 0.000 0.717 416 K HN 0.063 nan 8.250 nan 0.000 0.438 417 H N 0.325 119.376 119.070 -0.031 0.000 2.319 417 H HA -0.131 4.427 4.556 0.004 0.000 0.297 417 H C 1.746 177.062 175.328 -0.021 0.000 1.097 417 H CA 1.988 58.026 56.048 -0.017 0.000 1.285 417 H CB -0.025 29.705 29.762 -0.054 0.000 1.368 417 H HN 0.113 nan 8.280 nan 0.000 0.495 418 L N 0.842 122.076 121.223 0.018 0.000 2.131 418 L HA -0.147 4.195 4.340 0.004 0.000 0.210 418 L C 2.149 178.954 176.870 -0.109 0.000 1.092 418 L CA 1.605 56.391 54.840 -0.090 0.000 0.759 418 L CB -0.998 40.978 42.059 -0.138 0.000 0.903 418 L HN 0.352 nan 8.230 nan 0.000 0.435 419 K N -0.225 120.138 120.400 -0.062 0.000 2.026 419 K HA -0.135 4.187 4.320 0.004 0.000 0.208 419 K C 2.268 178.838 176.600 -0.050 0.000 1.048 419 K CA 1.698 57.960 56.287 -0.041 0.000 0.929 419 K CB -0.228 32.272 32.500 -0.000 0.000 0.713 419 K HN 0.414 nan 8.250 nan 0.000 0.439 420 S N 1.398 117.056 115.700 -0.070 0.000 2.383 420 S HA -0.110 4.362 4.470 0.004 0.000 0.227 420 S C 1.940 176.496 174.600 -0.073 0.000 1.026 420 S CA 0.736 58.893 58.200 -0.071 0.000 0.981 420 S CB -0.401 62.743 63.200 -0.093 0.000 0.818 420 S HN 0.290 nan 8.310 nan 0.000 0.472 421 I N 1.858 122.356 120.570 -0.120 0.000 3.334 421 I HA 0.106 4.279 4.170 0.004 0.000 0.282 421 I C 1.433 177.580 176.117 0.050 0.000 1.313 421 I CA 0.613 61.898 61.300 -0.025 0.000 1.396 421 I CB -0.958 37.022 38.000 -0.034 0.000 1.054 421 I HN 0.605 nan 8.210 nan 0.000 0.495 422 G N 0.725 109.520 108.800 -0.008 0.000 2.225 422 G HA2 -0.297 3.666 3.960 0.004 0.000 0.267 422 G HA3 -0.297 3.666 3.960 0.004 0.000 0.267 422 G C 0.757 175.615 174.900 -0.069 0.000 1.024 422 G CA 0.651 45.750 45.100 -0.003 0.000 0.784 422 G HN 0.458 nan 8.290 nan 0.000 0.507 423 L N -1.722 119.400 121.223 -0.168 0.000 2.262 423 L HA 0.361 4.703 4.340 0.004 0.000 0.197 423 L C 1.475 178.191 176.870 -0.257 0.000 1.073 423 L CA 0.061 54.714 54.840 -0.313 0.000 0.800 423 L CB -0.169 41.590 42.059 -0.499 0.000 0.987 423 L HN 0.295 nan 8.230 nan 0.000 0.470 424 L N 0.483 121.574 121.223 -0.220 0.000 2.331 424 L HA 0.160 4.503 4.340 0.004 0.000 0.278 424 L C 0.573 177.372 176.870 -0.119 0.000 1.106 424 L CA 0.290 55.003 54.840 -0.211 0.000 0.824 424 L CB 1.156 43.081 42.059 -0.225 0.000 1.142 424 L HN -0.076 nan 8.230 nan 0.000 0.443 425 S N 6.746 122.386 115.700 -0.100 0.000 2.537 425 S HA 0.168 4.641 4.470 0.004 0.000 0.286 425 S C -1.286 173.337 174.600 0.038 0.000 1.299 425 S CA -0.810 57.376 58.200 -0.024 0.000 1.067 425 S CB 0.467 63.663 63.200 -0.006 0.000 0.864 425 S HN 0.641 nan 8.310 nan 0.000 0.494 426 P HA -0.156 nan 4.420 nan 0.000 0.216 426 P C 0.463 177.797 177.300 0.056 0.000 1.157 426 P CA 1.403 64.523 63.100 0.033 0.000 0.880 426 P CB -0.072 31.636 31.700 0.015 0.000 0.791 427 D N -1.302 119.132 120.400 0.056 0.000 2.363 427 D HA -0.029 4.613 4.640 0.004 0.000 0.226 427 D C 0.545 176.888 176.300 0.072 0.000 1.020 427 D CA 0.056 54.083 54.000 0.044 0.000 0.892 427 D CB -0.834 39.983 40.800 0.028 0.000 0.900 427 D HN 0.245 nan 8.370 nan 0.000 0.531 428 F N 3.185 123.112 119.950 -0.038 0.000 2.504 428 F HA 0.045 4.575 4.527 0.004 0.000 0.369 428 F C 0.759 176.536 175.800 -0.039 0.000 1.082 428 F CA -0.759 57.217 58.000 -0.040 0.000 1.216 428 F CB 0.650 39.621 39.000 -0.048 0.000 1.108 428 F HN -0.185 nan 8.300 nan 0.000 0.554 429 Q N 5.872 125.202 119.800 -0.784 0.000 2.193 429 Q HA 0.281 4.624 4.340 0.004 0.000 0.246 429 Q C -1.612 173.753 176.000 -1.058 0.000 0.959 429 Q CA -0.669 54.733 55.803 -0.669 0.000 0.904 429 Q CB 1.515 30.029 28.738 -0.374 0.000 1.238 429 Q HN 0.847 nan 8.270 nan 0.000 0.469 430 E N 0.773 120.658 120.200 -0.525 0.000 2.437 430 E HA 0.320 4.672 4.350 0.004 0.000 0.238 430 E C -1.269 175.217 176.600 -0.190 0.000 0.969 430 E CA -0.689 55.507 56.400 -0.340 0.000 0.759 430 E CB 0.316 29.937 29.700 -0.131 0.000 1.283 430 E HN 0.647 nan 8.360 nan 0.000 0.416 431 D N 1.712 122.003 120.400 -0.183 0.000 2.357 431 D HA -0.062 4.580 4.640 0.004 0.000 0.242 431 D C 0.954 177.207 176.300 -0.078 0.000 1.153 431 D CA -0.706 53.219 54.000 -0.125 0.000 0.918 431 D CB 0.767 41.486 40.800 -0.134 0.000 1.181 431 D HN 0.358 nan 8.370 nan 0.000 0.435 432 N N 0.849 119.504 118.700 -0.074 0.000 2.573 432 N HA -0.188 4.555 4.740 0.004 0.000 0.187 432 N C 0.635 176.101 175.510 -0.074 0.000 1.107 432 N CA 0.840 53.862 53.050 -0.046 0.000 0.918 432 N CB -0.268 38.201 38.487 -0.030 0.000 0.966 432 N HN 0.687 nan 8.380 nan 0.000 0.448 433 E N -0.099 120.018 120.200 -0.139 0.000 2.140 433 E HA -0.067 4.285 4.350 0.004 0.000 0.191 433 E C 1.679 178.286 176.600 0.012 0.000 0.973 433 E CA 1.415 57.687 56.400 -0.214 0.000 0.829 433 E CB -0.044 29.318 29.700 -0.563 0.000 0.781 433 E HN 0.647 nan 8.360 nan 0.000 0.466 434 T N -0.195 114.375 114.554 0.027 0.000 2.788 434 T HA -0.143 4.210 4.350 0.004 0.000 0.268 434 T C 1.730 176.515 174.700 0.141 0.000 1.044 434 T CA 1.006 63.174 62.100 0.113 0.000 1.139 434 T CB -0.248 68.693 68.868 0.122 0.000 0.867 434 T HN 0.079 nan 8.240 nan 0.000 0.454 435 E N 0.648 120.910 120.200 0.102 0.000 2.118 435 E HA -0.074 4.279 4.350 0.004 0.000 0.195 435 E C 2.108 178.738 176.600 0.050 0.000 0.992 435 E CA 1.208 57.690 56.400 0.136 0.000 0.804 435 E CB -0.323 29.470 29.700 0.154 0.000 0.741 435 E HN 0.482 nan 8.360 nan 0.000 0.458 436 I N 1.605 122.155 120.570 -0.034 0.000 2.163 436 I HA -0.256 3.916 4.170 0.004 0.000 0.240 436 I C 2.006 178.040 176.117 -0.138 0.000 1.081 436 I CA 0.893 62.071 61.300 -0.204 0.000 1.353 436 I CB -0.242 37.473 38.000 -0.476 0.000 1.054 436 I HN 0.023 nan 8.210 nan 0.000 0.407 437 N N 0.261 118.974 118.700 0.022 0.000 2.060 437 N HA -0.288 4.454 4.740 0.004 0.000 0.195 437 N C 1.869 177.510 175.510 0.217 0.000 1.028 437 N CA 1.769 54.905 53.050 0.143 0.000 0.861 437 N CB -0.653 37.987 38.487 0.256 0.000 1.029 437 N HN 0.378 nan 8.380 nan 0.000 0.428 438 F N 1.139 121.124 119.950 0.058 0.000 2.113 438 F HA -0.090 4.440 4.527 0.004 0.000 0.297 438 F C 1.980 177.792 175.800 0.020 0.000 1.103 438 F CA 0.775 58.795 58.000 0.033 0.000 1.248 438 F CB -0.382 38.633 39.000 0.026 0.000 0.999 438 F HN -0.091 nan 8.300 nan 0.000 0.475 439 L N 0.515 121.614 121.223 -0.207 0.000 2.042 439 L HA -0.237 4.106 4.340 0.004 0.000 0.210 439 L C 2.519 179.368 176.870 -0.035 0.000 1.076 439 L CA 1.422 56.104 54.840 -0.263 0.000 0.749 439 L CB -1.612 40.318 42.059 -0.215 0.000 0.893 439 L HN 0.328 nan 8.230 nan 0.000 0.432 440 L N -0.418 120.803 121.223 -0.004 0.000 2.083 440 L HA -0.250 4.092 4.340 0.004 0.000 0.209 440 L C 2.484 179.458 176.870 0.173 0.000 1.083 440 L CA 1.694 56.591 54.840 0.095 0.000 0.752 440 L CB -0.548 41.539 42.059 0.047 0.000 0.899 440 L HN 0.389 nan 8.230 nan 0.000 0.433 441 K N -0.744 119.718 120.400 0.104 0.000 2.026 441 K HA -0.208 4.114 4.320 0.004 0.000 0.208 441 K C 2.077 178.636 176.600 -0.068 0.000 1.048 441 K CA 1.414 57.664 56.287 -0.062 0.000 0.929 441 K CB 0.112 32.384 32.500 -0.380 0.000 0.713 441 K HN 0.389 nan 8.250 nan 0.000 0.439 442 Q N -0.198 119.511 119.800 -0.151 0.000 2.050 442 Q HA -0.135 4.207 4.340 0.004 0.000 0.202 442 Q C 2.139 178.260 176.000 0.203 0.000 0.980 442 Q CA 1.574 57.373 55.803 -0.006 0.000 0.840 442 Q CB -0.354 28.344 28.738 -0.067 0.000 0.898 442 Q HN 0.378 nan 8.270 nan 0.000 0.424 443 A N 0.959 123.943 122.820 0.273 0.000 1.933 443 A HA -0.163 4.159 4.320 0.004 0.000 0.218 443 A C 2.132 179.734 177.584 0.031 0.000 1.175 443 A CA 1.084 53.143 52.037 0.037 0.000 0.628 443 A CB -0.552 18.457 19.000 0.015 0.000 0.814 443 A HN 0.246 nan 8.150 nan 0.000 0.444 444 L N 0.081 121.399 121.223 0.160 0.000 2.051 444 L HA -0.196 4.146 4.340 0.004 0.000 0.214 444 L C 2.661 179.624 176.870 0.156 0.000 1.076 444 L CA 2.577 57.569 54.840 0.254 0.000 0.758 444 L CB -1.370 40.881 42.059 0.319 0.000 0.890 444 L HN 0.512 nan 8.230 nan 0.000 0.433 445 T N -1.558 113.045 114.554 0.082 0.000 2.815 445 T HA 0.051 4.403 4.350 0.004 0.000 0.244 445 T C 1.945 176.658 174.700 0.022 0.000 1.040 445 T CA 0.784 62.897 62.100 0.021 0.000 1.176 445 T CB -0.352 68.445 68.868 -0.119 0.000 0.880 445 T HN 0.053 nan 8.240 nan 0.000 0.414 446 I N 1.462 122.049 120.570 0.028 0.000 2.099 446 I HA -0.163 4.010 4.170 0.004 0.000 0.239 446 I C 2.532 178.582 176.117 -0.112 0.000 1.066 446 I CA 1.228 62.550 61.300 0.036 0.000 1.324 446 I CB -0.483 37.646 38.000 0.214 0.000 1.037 446 I HN 0.053 nan 8.210 nan 0.000 0.401 447 V N 0.542 120.301 119.914 -0.257 0.000 2.591 447 V HA -0.075 4.048 4.120 0.004 0.000 0.249 447 V C 2.486 178.401 176.094 -0.298 0.000 1.053 447 V CA 1.654 63.744 62.300 -0.351 0.000 1.068 447 V CB -1.429 30.094 31.823 -0.500 0.000 0.689 447 V HN 0.577 nan 8.190 nan 0.000 0.462 448 G N -0.515 108.079 108.800 -0.344 0.000 2.446 448 G HA2 -0.299 3.663 3.960 0.004 0.000 0.217 448 G HA3 -0.299 3.663 3.960 0.004 0.000 0.217 448 G C 1.721 176.289 174.900 -0.553 0.000 1.168 448 G CA 1.595 46.246 45.100 -0.748 0.000 0.771 448 G HN 0.430 nan 8.290 nan 0.000 0.551 449 T N 0.235 114.643 114.554 -0.244 0.000 3.085 449 T HA 0.167 4.519 4.350 0.004 0.000 0.263 449 T C 2.384 177.069 174.700 -0.025 0.000 1.127 449 T CA 0.245 62.272 62.100 -0.122 0.000 1.103 449 T CB -0.203 68.676 68.868 0.019 0.000 0.921 449 T HN 0.191 nan 8.240 nan 0.000 0.510 450 L N 1.044 122.212 121.223 -0.092 0.000 2.005 450 L HA 0.010 4.352 4.340 0.004 0.000 0.207 450 L C -0.464 176.502 176.870 0.159 0.000 1.072 450 L CA 1.423 56.275 54.840 0.019 0.000 0.744 450 L CB -1.518 40.495 42.059 -0.077 0.000 0.895 450 L HN 0.201 nan 8.230 nan 0.000 0.433 451 P HA -0.209 nan 4.420 nan 0.000 0.216 451 P C 1.571 178.873 177.300 0.003 0.000 1.153 451 P CA 1.254 64.414 63.100 0.100 0.000 0.848 451 P CB -0.081 31.543 31.700 -0.126 0.000 0.787 452 F N 0.743 120.614 119.950 -0.131 0.000 2.043 452 F HA -0.285 4.244 4.527 0.004 0.000 0.297 452 F C 1.969 177.750 175.800 -0.032 0.000 1.118 452 F CA 2.343 60.291 58.000 -0.087 0.000 1.202 452 F CB -1.241 37.710 39.000 -0.081 0.000 0.965 452 F HN -0.115 nan 8.300 nan 0.000 0.482 453 T N -0.133 114.565 114.554 0.239 0.000 2.652 453 T HA -0.303 4.050 4.350 0.004 0.000 0.267 453 T C 1.624 176.325 174.700 0.003 0.000 1.039 453 T CA 1.834 64.047 62.100 0.189 0.000 1.153 453 T CB -1.159 67.757 68.868 0.081 0.000 0.863 453 T HN 0.599 nan 8.240 nan 0.000 0.428 454 Y N 1.422 121.623 120.300 -0.165 0.000 2.053 454 Y HA -0.260 4.293 4.550 0.004 0.000 0.277 454 Y C 2.653 178.318 175.900 -0.393 0.000 1.159 454 Y CA 1.751 59.613 58.100 -0.397 0.000 1.125 454 Y CB -0.299 37.761 38.460 -0.667 0.000 0.969 454 Y HN 0.026 nan 8.280 nan 0.000 0.492 455 M N 0.661 119.830 119.600 -0.717 0.000 2.082 455 M HA -0.241 4.241 4.480 0.004 0.000 0.258 455 M C 2.319 178.343 176.300 -0.460 0.000 1.071 455 M CA 1.777 56.655 55.300 -0.703 0.000 1.103 455 M CB -1.251 31.043 32.600 -0.511 0.000 1.307 455 M HN 0.608 nan 8.290 nan 0.000 0.409 456 L N 0.921 121.892 121.223 -0.420 0.000 2.011 456 L HA -0.288 4.054 4.340 0.004 0.000 0.225 456 L C 2.217 179.038 176.870 -0.081 0.000 1.084 456 L CA 2.265 56.987 54.840 -0.196 0.000 0.791 456 L CB -1.475 40.365 42.059 -0.365 0.000 0.898 456 L HN 0.371 nan 8.230 nan 0.000 0.440 457 E N -0.130 119.934 120.200 -0.227 0.000 2.106 457 E HA -0.218 4.135 4.350 0.004 0.000 0.192 457 E C 2.073 178.314 176.600 -0.599 0.000 0.984 457 E CA 1.017 57.154 56.400 -0.439 0.000 0.806 457 E CB -0.112 29.152 29.700 -0.726 0.000 0.750 457 E HN 0.383 nan 8.360 nan 0.000 0.458 458 K N 0.288 120.370 120.400 -0.530 0.000 2.032 458 K HA -0.187 4.136 4.320 0.004 0.000 0.209 458 K C 1.851 178.468 176.600 0.028 0.000 1.048 458 K CA 1.574 57.715 56.287 -0.243 0.000 0.927 458 K CB -0.916 31.302 32.500 -0.471 0.000 0.712 458 K HN 0.168 nan 8.250 nan 0.000 0.441 459 W N 1.388 122.608 121.300 -0.133 0.000 2.315 459 W HA -0.255 4.408 4.660 0.004 0.000 0.323 459 W C 2.112 178.605 176.519 -0.043 0.000 1.233 459 W CA 2.749 60.069 57.345 -0.042 0.000 1.267 459 W CB -0.443 29.058 29.460 0.068 0.000 1.160 459 W HN 0.048 nan 8.180 nan 0.000 0.474 460 R N -0.854 119.737 120.500 0.152 0.000 2.122 460 R HA -0.272 4.070 4.340 0.004 0.000 0.236 460 R C 2.103 178.589 176.300 0.311 0.000 1.129 460 R CA 2.524 58.673 56.100 0.082 0.000 0.925 460 R CB -1.369 29.244 30.300 0.521 0.000 0.850 460 R HN 0.232 nan 8.270 nan 0.000 0.431 461 W N 0.724 122.197 121.300 0.288 0.000 2.290 461 W HA -0.272 4.390 4.660 0.004 0.000 0.328 461 W C 2.231 178.822 176.519 0.121 0.000 1.272 461 W CA 1.258 58.748 57.345 0.242 0.000 1.262 461 W CB -1.035 28.511 29.460 0.143 0.000 1.151 461 W HN 0.219 nan 8.180 nan 0.000 0.473 462 M N -0.733 119.013 119.600 0.242 0.000 2.086 462 M HA -0.204 4.278 4.480 0.004 0.000 0.261 462 M C 1.952 178.198 176.300 -0.090 0.000 1.067 462 M CA 1.556 56.891 55.300 0.058 0.000 1.116 462 M CB -1.324 31.282 32.600 0.010 0.000 1.348 462 M HN -0.252 nan 8.290 nan 0.000 0.407 463 V N 0.212 119.895 119.914 -0.386 0.000 2.380 463 V HA -0.272 3.851 4.120 0.004 0.000 0.251 463 V C 2.104 178.005 176.094 -0.322 0.000 1.063 463 V CA 2.014 63.972 62.300 -0.569 0.000 1.055 463 V CB -0.749 30.257 31.823 -1.361 0.000 0.657 463 V HN 0.282 nan 8.190 nan 0.000 0.455 464 F N 0.169 120.073 119.950 -0.077 0.000 2.259 464 F HA -0.034 4.495 4.527 0.004 0.000 0.298 464 F C 2.226 178.028 175.800 0.002 0.000 1.088 464 F CA 1.185 59.180 58.000 -0.007 0.000 1.358 464 F CB -0.399 38.618 39.000 0.028 0.000 1.040 464 F HN 0.030 nan 8.300 nan 0.000 0.505 465 K N -0.127 120.379 120.400 0.176 0.000 2.555 465 K HA 0.118 4.440 4.320 0.004 0.000 0.193 465 K C 1.328 177.967 176.600 0.066 0.000 1.032 465 K CA 0.651 57.000 56.287 0.103 0.000 1.004 465 K CB -0.372 32.178 32.500 0.084 0.000 0.804 465 K HN 0.356 nan 8.250 nan 0.000 0.496 466 G N 1.691 110.522 108.800 0.052 0.000 2.147 466 G HA2 -0.280 3.682 3.960 0.004 0.000 0.244 466 G HA3 -0.280 3.682 3.960 0.004 0.000 0.244 466 G C 0.344 175.270 174.900 0.043 0.000 1.005 466 G CA 0.378 45.504 45.100 0.043 0.000 0.713 466 G HN 0.460 nan 8.290 nan 0.000 0.515 467 E N -0.945 119.276 120.200 0.035 0.000 2.400 467 E HA 0.153 4.505 4.350 0.004 0.000 0.195 467 E C 0.603 177.236 176.600 0.055 0.000 1.012 467 E CA 0.202 56.628 56.400 0.043 0.000 0.875 467 E CB 0.448 30.174 29.700 0.044 0.000 0.859 467 E HN 0.464 nan 8.360 nan 0.000 0.498 468 I N 2.574 123.176 120.570 0.053 0.000 2.382 468 I HA 0.288 4.460 4.170 0.004 0.000 0.285 468 I C -2.486 173.772 176.117 0.236 0.000 1.007 468 I CA -3.280 58.099 61.300 0.131 0.000 1.142 468 I CB 0.675 38.701 38.000 0.042 0.000 1.289 468 I HN -0.266 nan 8.210 nan 0.000 0.453 469 P HA 0.260 nan 4.420 nan 0.000 0.271 469 P C 0.652 177.956 177.300 0.006 0.000 1.216 469 P CA -0.411 62.738 63.100 0.082 0.000 0.776 469 P CB 0.920 32.654 31.700 0.057 0.000 0.881 470 K N 1.617 121.852 120.400 -0.275 0.000 2.077 470 K HA -0.248 4.074 4.320 0.004 0.000 0.213 470 K C 1.199 177.597 176.600 -0.337 0.000 1.051 470 K CA 2.276 58.150 56.287 -0.688 0.000 0.929 470 K CB -0.574 31.599 32.500 -0.546 0.000 0.715 470 K HN 0.621 nan 8.250 nan 0.000 0.451 471 D N 0.013 120.346 120.400 -0.112 0.000 2.363 471 D HA -0.115 4.527 4.640 0.004 0.000 0.226 471 D C 0.839 177.207 176.300 0.113 0.000 1.020 471 D CA 0.738 54.739 54.000 0.000 0.000 0.892 471 D CB 0.064 40.865 40.800 0.001 0.000 0.900 471 D HN 0.263 nan 8.370 nan 0.000 0.531 472 Q N -1.387 118.524 119.800 0.185 0.000 2.110 472 Q HA 0.162 4.504 4.340 0.004 0.000 0.232 472 Q C 0.262 176.537 176.000 0.458 0.000 0.810 472 Q CA -0.600 55.371 55.803 0.279 0.000 1.083 472 Q CB 0.194 29.067 28.738 0.226 0.000 1.193 472 Q HN 0.140 nan 8.270 nan 0.000 0.471 473 W N 0.539 121.977 121.300 0.230 0.000 2.358 473 W HA -0.100 4.562 4.660 0.004 0.000 0.303 473 W C 1.467 178.240 176.519 0.425 0.000 1.208 473 W CA 1.078 58.633 57.345 0.349 0.000 1.274 473 W CB 0.104 29.734 29.460 0.283 0.000 1.138 473 W HN 0.262 nan 8.180 nan 0.000 0.515 474 M N -1.011 118.919 119.600 0.550 0.000 2.465 474 M HA 0.060 4.542 4.480 0.004 0.000 0.249 474 M C 1.688 178.324 176.300 0.559 0.000 1.130 474 M CA 0.695 56.298 55.300 0.505 0.000 1.067 474 M CB -0.900 32.000 32.600 0.500 0.000 1.394 474 M HN -0.035 nan 8.290 nan 0.000 0.483 475 K N 0.442 121.113 120.400 0.453 0.000 2.076 475 K HA -0.069 4.253 4.320 0.004 0.000 0.204 475 K C 2.173 178.989 176.600 0.361 0.000 1.051 475 K CA 0.837 57.349 56.287 0.375 0.000 0.949 475 K CB 0.378 33.051 32.500 0.287 0.000 0.726 475 K HN -0.084 nan 8.250 nan 0.000 0.443 476 K N 0.233 120.865 120.400 0.387 0.000 2.137 476 K HA -0.096 4.226 4.320 0.004 0.000 0.202 476 K C 1.702 178.511 176.600 0.348 0.000 1.052 476 K CA 0.523 57.018 56.287 0.346 0.000 0.961 476 K CB -0.284 32.424 32.500 0.346 0.000 0.741 476 K HN 0.361 nan 8.250 nan 0.000 0.452 477 W N 0.463 121.837 121.300 0.124 0.000 2.298 477 W HA -0.303 4.360 4.660 0.004 0.000 0.328 477 W C 1.339 177.683 176.519 -0.292 0.000 1.259 477 W CA 1.562 58.701 57.345 -0.343 0.000 1.251 477 W CB -0.679 28.331 29.460 -0.751 0.000 1.161 477 W HN 0.116 nan 8.180 nan 0.000 0.466 478 W N 0.593 121.891 121.300 -0.002 0.000 2.519 478 W HA -0.061 4.601 4.660 0.004 0.000 0.266 478 W C 2.446 178.942 176.519 -0.039 0.000 1.253 478 W CA 1.052 58.330 57.345 -0.113 0.000 1.274 478 W CB -0.715 28.758 29.460 0.022 0.000 1.114 478 W HN 0.041 nan 8.180 nan 0.000 0.596 479 E N 0.216 120.553 120.200 0.229 0.000 2.038 479 E HA -0.273 4.080 4.350 0.004 0.000 0.195 479 E C 2.067 178.734 176.600 0.111 0.000 1.000 479 E CA 1.776 58.283 56.400 0.179 0.000 0.803 479 E CB -0.407 29.402 29.700 0.182 0.000 0.750 479 E HN 0.334 nan 8.360 nan 0.000 0.448 480 M N 0.221 119.835 119.600 0.023 0.000 2.200 480 M HA -0.127 4.355 4.480 0.004 0.000 0.265 480 M C 2.215 178.433 176.300 -0.137 0.000 1.066 480 M CA 1.023 56.295 55.300 -0.048 0.000 1.127 480 M CB 0.024 32.574 32.600 -0.085 0.000 1.379 480 M HN -0.091 nan 8.290 nan 0.000 0.420 481 K N 0.325 120.536 120.400 -0.314 0.000 2.032 481 K HA -0.153 4.169 4.320 0.004 0.000 0.209 481 K C 2.024 178.623 176.600 -0.002 0.000 1.048 481 K CA 1.573 57.690 56.287 -0.284 0.000 0.927 481 K CB -0.272 31.952 32.500 -0.460 0.000 0.712 481 K HN 0.375 nan 8.250 nan 0.000 0.441 482 R N 0.423 120.986 120.500 0.105 0.000 2.081 482 R HA -0.111 4.231 4.340 0.004 0.000 0.235 482 R C 2.293 178.784 176.300 0.319 0.000 1.131 482 R CA 1.131 57.340 56.100 0.182 0.000 0.960 482 R CB -0.021 30.410 30.300 0.219 0.000 0.856 482 R HN 0.234 nan 8.270 nan 0.000 0.436 483 E N -0.035 120.349 120.200 0.306 0.000 2.140 483 E HA -0.025 4.328 4.350 0.004 0.000 0.191 483 E C 1.836 178.728 176.600 0.485 0.000 0.973 483 E CA 0.629 57.269 56.400 0.400 0.000 0.829 483 E CB 0.443 30.289 29.700 0.243 0.000 0.781 483 E HN 0.181 nan 8.360 nan 0.000 0.466 484 I N 0.247 121.028 120.570 0.353 0.000 2.685 484 I HA -0.097 4.076 4.170 0.004 0.000 0.251 484 I C 2.356 178.754 176.117 0.467 0.000 1.102 484 I CA 0.597 62.139 61.300 0.403 0.000 1.442 484 I CB -0.764 37.335 38.000 0.165 0.000 1.194 484 I HN -0.085 nan 8.210 nan 0.000 0.448 485 V N 0.865 120.913 119.914 0.223 0.000 2.788 485 V HA 0.187 4.309 4.120 0.004 0.000 0.251 485 V C 1.460 177.605 176.094 0.085 0.000 1.068 485 V CA 0.976 63.389 62.300 0.189 0.000 1.090 485 V CB -0.936 30.941 31.823 0.089 0.000 0.710 485 V HN 0.688 nan 8.190 nan 0.000 0.467 486 G N 0.746 109.407 108.800 -0.232 0.000 2.291 486 G HA2 -0.167 3.796 3.960 0.004 0.000 0.271 486 G HA3 -0.167 3.796 3.960 0.004 0.000 0.271 486 G C -0.281 174.405 174.900 -0.356 0.000 1.099 486 G CA 0.188 44.619 45.100 -1.115 0.000 0.919 486 G HN 0.541 nan 8.290 nan 0.000 0.496 487 V N -0.276 119.603 119.914 -0.057 0.000 2.668 487 V HA 0.610 4.732 4.120 0.004 0.000 0.304 487 V C 0.223 176.420 176.094 0.171 0.000 1.071 487 V CA -0.849 61.510 62.300 0.097 0.000 0.894 487 V CB 2.219 34.161 31.823 0.198 0.000 1.008 487 V HN 0.604 nan 8.190 nan 0.000 0.425 488 V N 3.621 123.610 119.914 0.124 0.000 2.435 488 V HA 0.441 4.563 4.120 0.004 0.000 0.290 488 V C 0.385 176.374 176.094 -0.175 0.000 1.030 488 V CA -0.856 61.472 62.300 0.047 0.000 0.881 488 V CB 1.666 33.502 31.823 0.022 0.000 0.983 488 V HN 0.994 nan 8.190 nan 0.000 0.445 489 E N 7.352 127.222 120.200 -0.551 0.000 2.585 489 E HA -0.041 4.312 4.350 0.004 0.000 0.252 489 E C -1.927 174.335 176.600 -0.563 0.000 0.981 489 E CA -0.864 54.904 56.400 -1.054 0.000 0.943 489 E CB 0.892 29.483 29.700 -1.848 0.000 0.923 489 E HN 0.461 nan 8.360 nan 0.000 0.486 490 P HA -0.039 nan 4.420 nan 0.000 0.226 490 P C 0.281 177.443 177.300 -0.229 0.000 1.153 490 P CA 0.324 63.184 63.100 -0.401 0.000 0.777 490 P CB 0.440 31.671 31.700 -0.781 0.000 0.794 491 V N 2.031 121.655 119.914 -0.483 0.000 2.709 491 V HA 0.348 4.470 4.120 0.004 0.000 0.308 491 V C -2.473 173.067 176.094 -0.924 0.000 1.062 491 V CA -2.354 59.578 62.300 -0.613 0.000 0.901 491 V CB 2.922 34.598 31.823 -0.245 0.000 1.003 491 V HN -0.116 nan 8.190 nan 0.000 0.425 492 P HA 0.291 nan 4.420 nan 0.000 0.275 492 P C -1.314 175.800 177.300 -0.310 0.000 1.227 492 P CA -0.104 62.566 63.100 -0.717 0.000 0.781 492 P CB 0.551 31.895 31.700 -0.593 0.000 0.906 493 H N 1.524 120.423 119.070 -0.285 0.000 2.505 493 H HA 0.247 4.805 4.556 0.004 0.000 0.338 493 H C 0.403 175.809 175.328 0.131 0.000 1.057 493 H CA -0.494 55.451 56.048 -0.171 0.000 1.202 493 H CB 0.955 30.526 29.762 -0.319 0.000 1.466 493 H HN 0.468 nan 8.280 nan 0.000 0.499 494 D N 1.645 122.263 120.400 0.363 0.000 2.478 494 D HA 0.017 4.659 4.640 0.004 0.000 0.274 494 D C 0.458 176.945 176.300 0.312 0.000 1.234 494 D CA -0.496 53.672 54.000 0.279 0.000 1.069 494 D CB 1.166 42.078 40.800 0.187 0.000 1.113 494 D HN 0.280 nan 8.370 nan 0.000 0.571 495 E N -0.740 119.588 120.200 0.214 0.000 2.505 495 E HA -0.061 4.291 4.350 0.004 0.000 0.197 495 E C 1.362 178.029 176.600 0.111 0.000 1.111 495 E CA 0.190 56.702 56.400 0.187 0.000 0.887 495 E CB -0.654 29.120 29.700 0.123 0.000 0.913 495 E HN 0.521 nan 8.360 nan 0.000 0.517 496 T N -0.545 114.057 114.554 0.079 0.000 2.904 496 T HA -0.069 4.283 4.350 0.004 0.000 0.267 496 T C 0.453 175.049 174.700 -0.172 0.000 1.059 496 T CA 0.753 62.802 62.100 -0.085 0.000 1.137 496 T CB 0.001 68.758 68.868 -0.184 0.000 0.879 496 T HN 0.069 nan 8.240 nan 0.000 0.467 497 Y N -0.533 119.730 120.300 -0.062 0.000 2.344 497 Y HA 0.479 5.031 4.550 0.004 0.000 0.330 497 Y C 0.860 176.729 175.900 -0.053 0.000 1.330 497 Y CA -1.074 56.952 58.100 -0.124 0.000 1.479 497 Y CB 0.707 39.026 38.460 -0.236 0.000 1.428 497 Y HN 0.005 nan 8.280 nan 0.000 0.544 498 C N 1.515 120.857 119.300 0.070 0.000 2.945 498 C HA 0.209 4.671 4.460 0.004 0.000 0.216 498 C C 0.298 175.117 174.990 -0.286 0.000 1.319 498 C CA -0.840 58.118 59.018 -0.100 0.000 1.036 498 C CB -1.683 26.007 27.740 -0.084 0.000 1.871 498 C HN 0.875 nan 8.230 nan 0.000 0.660 499 D N 2.494 122.746 120.400 -0.247 0.000 2.149 499 D HA -0.097 4.545 4.640 0.004 0.000 0.198 499 D C -0.429 175.550 176.300 -0.535 0.000 0.990 499 D CA 1.462 55.342 54.000 -0.199 0.000 0.839 499 D CB -0.963 39.948 40.800 0.185 0.000 0.948 499 D HN 0.479 nan 8.370 nan 0.000 0.460 500 P HA -0.140 nan 4.420 nan 0.000 0.216 500 P C 0.925 177.672 177.300 -0.923 0.000 1.150 500 P CA 1.631 63.692 63.100 -1.732 0.000 0.843 500 P CB -0.026 29.936 31.700 -2.896 0.000 0.787 501 A N -0.074 122.275 122.820 -0.785 0.000 2.278 501 A HA 0.097 4.419 4.320 0.004 0.000 0.212 501 A C 1.856 179.330 177.584 -0.184 0.000 1.213 501 A CA 0.581 52.300 52.037 -0.530 0.000 0.840 501 A CB -0.984 17.632 19.000 -0.640 0.000 0.866 501 A HN 0.308 nan 8.150 nan 0.000 0.489 502 S N -0.476 115.208 115.700 -0.027 0.000 2.701 502 S HA 0.279 4.752 4.470 0.004 0.000 0.220 502 S C 0.314 175.416 174.600 0.835 0.000 0.954 502 S CA -0.219 58.229 58.200 0.414 0.000 0.936 502 S CB -0.213 63.236 63.200 0.415 0.000 0.777 502 S HN 0.369 nan 8.310 nan 0.000 0.518 503 L N 1.555 122.885 121.223 0.177 0.000 2.349 503 L HA 0.445 4.787 4.340 0.004 0.000 0.278 503 L C 0.747 177.442 176.870 -0.291 0.000 0.996 503 L CA -0.793 53.892 54.840 -0.259 0.000 0.825 503 L CB 1.032 42.681 42.059 -0.683 0.000 1.243 503 L HN 0.256 nan 8.230 nan 0.000 0.412 504 F N 5.191 124.875 119.950 -0.445 0.000 2.060 504 F HA -0.381 4.149 4.527 0.004 0.000 0.293 504 F C 2.148 177.709 175.800 -0.397 0.000 1.096 504 F CA 2.658 60.249 58.000 -0.682 0.000 1.241 504 F CB -0.066 38.743 39.000 -0.318 0.000 0.959 504 F HN 0.749 nan 8.300 nan 0.000 0.499 505 H N -1.099 117.863 119.070 -0.180 0.000 2.352 505 H HA -0.131 4.428 4.556 0.004 0.000 0.299 505 H C 2.392 177.618 175.328 -0.171 0.000 1.097 505 H CA 1.766 57.772 56.048 -0.070 0.000 1.311 505 H CB -0.721 29.047 29.762 0.010 0.000 1.377 505 H HN 0.321 nan 8.280 nan 0.000 0.504 506 V N 1.095 120.903 119.914 -0.177 0.000 2.379 506 V HA -0.181 3.941 4.120 0.004 0.000 0.245 506 V C 2.606 178.636 176.094 -0.107 0.000 1.044 506 V CA 1.877 64.102 62.300 -0.125 0.000 1.036 506 V CB -0.414 31.226 31.823 -0.304 0.000 0.664 506 V HN 0.506 nan 8.190 nan 0.000 0.453 507 S N -0.728 114.806 115.700 -0.278 0.000 2.527 507 S HA 0.031 4.504 4.470 0.004 0.000 0.222 507 S C 1.159 175.553 174.600 -0.344 0.000 0.985 507 S CA 0.468 58.510 58.200 -0.263 0.000 0.921 507 S CB -0.397 62.645 63.200 -0.263 0.000 0.772 507 S HN 0.674 nan 8.310 nan 0.000 0.529 508 N N 1.790 120.198 118.700 -0.487 0.000 2.328 508 N HA 0.097 4.839 4.740 0.004 0.000 0.247 508 N C -1.123 174.070 175.510 -0.529 0.000 1.165 508 N CA 0.130 52.837 53.050 -0.571 0.000 0.873 508 N CB 0.300 38.179 38.487 -1.012 0.000 1.125 508 N HN 0.284 nan 8.380 nan 0.000 0.513 509 D N 0.999 121.280 120.400 -0.198 0.000 2.956 509 D HA -0.244 4.398 4.640 0.004 0.000 0.240 509 D C -1.667 174.625 176.300 -0.013 0.000 1.141 509 D CA 1.029 55.091 54.000 0.103 0.000 0.820 509 D CB -1.213 39.674 40.800 0.145 0.000 0.988 509 D HN 0.232 nan 8.370 nan 0.000 0.417 510 Y N 0.356 120.764 120.300 0.181 0.000 2.361 510 Y HA 0.329 4.882 4.550 0.004 0.000 0.328 510 Y C 0.265 175.953 175.900 -0.353 0.000 1.044 510 Y CA -1.035 57.048 58.100 -0.027 0.000 1.085 510 Y CB 1.507 40.013 38.460 0.077 0.000 1.194 510 Y HN 0.115 nan 8.280 nan 0.000 0.438 511 S N 2.921 118.206 115.700 -0.692 0.000 2.546 511 S HA 0.035 4.507 4.470 0.004 0.000 0.290 511 S C 0.389 174.925 174.600 -0.107 0.000 1.290 511 S CA 0.013 57.659 58.200 -0.923 0.000 1.069 511 S CB 0.159 62.758 63.200 -1.003 0.000 0.846 511 S HN 0.723 nan 8.310 nan 0.000 0.495 512 F N 2.699 122.550 119.950 -0.166 0.000 2.694 512 F HA 0.347 4.876 4.527 0.004 0.000 0.292 512 F C 1.669 177.515 175.800 0.076 0.000 1.121 512 F CA -0.337 57.687 58.000 0.041 0.000 1.352 512 F CB 0.115 39.109 39.000 -0.009 0.000 1.107 512 F HN 0.685 nan 8.300 nan 0.000 0.597 513 I N 1.596 122.175 120.570 0.015 0.000 2.454 513 I HA -0.296 3.876 4.170 0.004 0.000 0.254 513 I C 2.727 178.843 176.117 -0.002 0.000 1.156 513 I CA 0.868 62.154 61.300 -0.024 0.000 1.433 513 I CB -0.348 37.651 38.000 -0.002 0.000 1.082 513 I HN 0.143 nan 8.210 nan 0.000 0.432 514 R N 0.658 121.137 120.500 -0.035 0.000 2.133 514 R HA -0.273 4.070 4.340 0.004 0.000 0.247 514 R C 1.777 177.941 176.300 -0.227 0.000 1.151 514 R CA 1.975 58.013 56.100 -0.103 0.000 0.971 514 R CB -1.609 28.559 30.300 -0.220 0.000 0.866 514 R HN 0.374 nan 8.270 nan 0.000 0.447 515 Y N 0.115 120.281 120.300 -0.225 0.000 2.333 515 Y HA -0.197 4.355 4.550 0.004 0.000 0.290 515 Y C 2.368 178.163 175.900 -0.175 0.000 1.144 515 Y CA 1.571 59.511 58.100 -0.267 0.000 1.228 515 Y CB -0.596 37.526 38.460 -0.564 0.000 0.985 515 Y HN 0.187 nan 8.280 nan 0.000 0.542 516 Y N 0.595 120.817 120.300 -0.130 0.000 2.153 516 Y HA -0.202 4.350 4.550 0.004 0.000 0.289 516 Y C 2.720 178.502 175.900 -0.197 0.000 1.119 516 Y CA 1.869 59.895 58.100 -0.123 0.000 1.116 516 Y CB -0.485 37.913 38.460 -0.104 0.000 1.004 516 Y HN 0.150 nan 8.280 nan 0.000 0.501 517 T N -0.742 113.840 114.554 0.048 0.000 2.867 517 T HA -0.178 4.175 4.350 0.004 0.000 0.268 517 T C 2.035 176.269 174.700 -0.776 0.000 1.057 517 T CA 1.285 63.175 62.100 -0.350 0.000 1.136 517 T CB -0.496 68.192 68.868 -0.301 0.000 0.874 517 T HN 0.356 nan 8.240 nan 0.000 0.466 518 R N 1.194 121.467 120.500 -0.378 0.000 2.081 518 R HA -0.115 4.227 4.340 0.004 0.000 0.235 518 R C 2.298 178.447 176.300 -0.252 0.000 1.131 518 R CA 1.902 57.852 56.100 -0.252 0.000 0.960 518 R CB -1.090 29.150 30.300 -0.099 0.000 0.856 518 R HN 0.429 nan 8.270 nan 0.000 0.436 519 T N 1.963 116.396 114.554 -0.202 0.000 2.635 519 T HA -0.178 4.174 4.350 0.004 0.000 0.267 519 T C 1.838 176.486 174.700 -0.087 0.000 1.040 519 T CA 1.663 63.698 62.100 -0.108 0.000 1.156 519 T CB -0.237 68.559 68.868 -0.121 0.000 0.863 519 T HN 0.113 nan 8.240 nan 0.000 0.430 520 L N -0.217 120.832 121.223 -0.291 0.000 2.083 520 L HA -0.065 4.277 4.340 0.004 0.000 0.209 520 L C 2.278 179.054 176.870 -0.157 0.000 1.083 520 L CA 1.558 56.269 54.840 -0.215 0.000 0.752 520 L CB -0.801 41.083 42.059 -0.291 0.000 0.899 520 L HN 0.301 nan 8.230 nan 0.000 0.433 521 Y N -0.004 120.106 120.300 -0.316 0.000 2.133 521 Y HA -0.276 4.276 4.550 0.004 0.000 0.287 521 Y C 2.701 178.113 175.900 -0.814 0.000 1.134 521 Y CA 1.128 58.800 58.100 -0.713 0.000 1.133 521 Y CB -1.409 36.401 38.460 -1.083 0.000 0.987 521 Y HN 0.387 nan 8.280 nan 0.000 0.502 522 Q N -0.328 119.199 119.800 -0.455 0.000 2.173 522 Q HA -0.252 4.090 4.340 0.004 0.000 0.208 522 Q C 1.632 177.342 176.000 -0.484 0.000 0.989 522 Q CA 2.316 57.841 55.803 -0.464 0.000 0.872 522 Q CB -0.939 27.513 28.738 -0.477 0.000 0.909 522 Q HN 0.439 nan 8.270 nan 0.000 0.420 523 F N 1.096 120.936 119.950 -0.184 0.000 2.187 523 F HA 0.014 4.543 4.527 0.004 0.000 0.295 523 F C 2.601 178.377 175.800 -0.039 0.000 1.091 523 F CA 1.104 59.036 58.000 -0.113 0.000 1.308 523 F CB -0.263 38.665 39.000 -0.120 0.000 1.030 523 F HN 0.045 nan 8.300 nan 0.000 0.487 524 Q N -0.545 119.307 119.800 0.087 0.000 2.135 524 Q HA -0.190 4.152 4.340 0.004 0.000 0.204 524 Q C 2.068 178.164 176.000 0.160 0.000 0.981 524 Q CA 1.475 57.331 55.803 0.089 0.000 0.856 524 Q CB -0.304 28.460 28.738 0.044 0.000 0.902 524 Q HN 0.309 nan 8.270 nan 0.000 0.425 525 F N 0.604 120.542 119.950 -0.020 0.000 2.146 525 F HA -0.158 4.371 4.527 0.004 0.000 0.298 525 F C 2.499 178.270 175.800 -0.048 0.000 1.096 525 F CA 1.195 59.153 58.000 -0.070 0.000 1.275 525 F CB -0.913 38.006 39.000 -0.135 0.000 1.008 525 F HN 0.095 nan 8.300 nan 0.000 0.480 526 Q N 0.669 120.552 119.800 0.138 0.000 1.990 526 Q HA -0.189 4.153 4.340 0.004 0.000 0.200 526 Q C 2.228 178.290 176.000 0.102 0.000 0.980 526 Q CA 1.968 57.815 55.803 0.073 0.000 0.832 526 Q CB -0.563 28.176 28.738 0.001 0.000 0.897 526 Q HN 0.446 nan 8.270 nan 0.000 0.427 527 E N -0.825 119.459 120.200 0.141 0.000 2.147 527 E HA -0.287 4.065 4.350 0.004 0.000 0.199 527 E C 1.652 178.322 176.600 0.116 0.000 1.005 527 E CA 1.233 57.719 56.400 0.143 0.000 0.810 527 E CB -0.217 29.578 29.700 0.158 0.000 0.736 527 E HN 0.468 nan 8.360 nan 0.000 0.460 528 A N 0.643 123.533 122.820 0.117 0.000 1.841 528 A HA -0.154 4.168 4.320 0.004 0.000 0.214 528 A C 2.059 179.682 177.584 0.066 0.000 1.195 528 A CA 1.019 53.112 52.037 0.093 0.000 0.611 528 A CB -0.632 18.430 19.000 0.102 0.000 0.835 528 A HN 0.259 nan 8.150 nan 0.000 0.443 529 L N -0.122 121.135 121.223 0.057 0.000 2.043 529 L HA -0.230 4.112 4.340 0.004 0.000 0.212 529 L C 2.722 179.613 176.870 0.036 0.000 1.075 529 L CA 1.524 56.381 54.840 0.028 0.000 0.752 529 L CB -1.368 40.701 42.059 0.016 0.000 0.891 529 L HN 0.543 nan 8.230 nan 0.000 0.432 530 c N -1.644 116.985 118.600 0.048 0.000 2.446 530 c HA -0.157 4.416 4.570 0.004 0.000 0.277 530 c C 2.846 176.998 174.090 0.104 0.000 1.275 530 c CA 0.678 57.040 56.329 0.054 0.000 1.727 530 c CB -0.625 41.901 42.510 0.025 0.000 2.010 530 c HN 0.611 nan 8.230 nan 0.000 0.486 531 Q N 1.084 120.942 119.800 0.097 0.000 2.030 531 Q HA -0.209 4.133 4.340 0.004 0.000 0.204 531 Q C 2.217 178.256 176.000 0.065 0.000 0.986 531 Q CA 2.151 58.006 55.803 0.087 0.000 0.843 531 Q CB -0.290 28.495 28.738 0.078 0.000 0.904 531 Q HN 0.640 nan 8.270 nan 0.000 0.420 532 A N 0.076 122.926 122.820 0.051 0.000 2.121 532 A HA 0.038 4.361 4.320 0.004 0.000 0.218 532 A C 1.963 179.567 177.584 0.032 0.000 1.154 532 A CA 1.296 53.354 52.037 0.034 0.000 0.679 532 A CB -0.467 18.546 19.000 0.022 0.000 0.795 532 A HN 0.514 nan 8.150 nan 0.000 0.458 533 A N -1.474 121.373 122.820 0.045 0.000 2.251 533 A HA 0.313 4.635 4.320 0.004 0.000 0.209 533 A C 0.910 178.535 177.584 0.068 0.000 1.187 533 A CA 0.448 52.513 52.037 0.047 0.000 0.823 533 A CB -0.119 18.910 19.000 0.048 0.000 0.846 533 A HN 0.274 nan 8.150 nan 0.000 0.486 534 K N -0.127 120.315 120.400 0.070 0.000 3.192 534 K HA -0.209 4.113 4.320 0.004 0.000 0.278 534 K C -0.239 176.402 176.600 0.068 0.000 1.164 534 K CA 1.059 57.379 56.287 0.056 0.000 0.816 534 K CB -2.438 30.081 32.500 0.032 0.000 1.256 534 K HN 0.939 nan 8.250 nan 0.000 0.497 535 H N 0.552 119.629 119.070 0.011 0.000 2.646 535 H HA 0.167 4.725 4.556 0.004 0.000 0.325 535 H C 1.256 176.584 175.328 0.001 0.000 1.075 535 H CA 0.272 56.324 56.048 0.005 0.000 1.421 535 H CB 0.831 30.598 29.762 0.008 0.000 1.461 535 H HN 0.116 nan 8.280 nan 0.000 0.525 536 E N 3.312 123.109 120.200 -0.671 0.000 2.014 536 E HA 0.017 4.369 4.350 0.004 0.000 0.190 536 E C 1.303 177.602 176.600 -0.502 0.000 0.980 536 E CA 0.801 56.925 56.400 -0.460 0.000 0.807 536 E CB -0.178 29.364 29.700 -0.262 0.000 0.770 536 E HN 0.807 nan 8.360 nan 0.000 0.451 537 G N 1.795 110.223 108.800 -0.619 0.000 2.485 537 G HA2 0.151 4.113 3.960 0.004 0.000 0.260 537 G HA3 0.151 4.113 3.960 0.004 0.000 0.260 537 G C -2.296 172.572 174.900 -0.053 0.000 1.459 537 G CA -0.737 44.218 45.100 -0.241 0.000 1.060 537 G HN 0.017 nan 8.290 nan 0.000 0.546 538 P HA 0.057 nan 4.420 nan 0.000 0.265 538 P C 0.851 178.191 177.300 0.067 0.000 1.193 538 P CA -0.406 62.716 63.100 0.037 0.000 0.765 538 P CB 0.759 32.457 31.700 -0.004 0.000 0.823 539 L N 3.750 125.041 121.223 0.114 0.000 2.349 539 L HA -0.178 4.164 4.340 0.004 0.000 0.220 539 L C 1.873 178.746 176.870 0.006 0.000 1.130 539 L CA 1.694 56.603 54.840 0.115 0.000 0.791 539 L CB -1.043 41.127 42.059 0.185 0.000 0.918 539 L HN 0.521 nan 8.230 nan 0.000 0.444 540 H N -2.135 116.821 119.070 -0.191 0.000 2.539 540 H HA 0.116 4.675 4.556 0.004 0.000 0.269 540 H C 1.067 176.333 175.328 -0.104 0.000 0.980 540 H CA 0.185 56.051 56.048 -0.303 0.000 1.152 540 H CB -0.030 29.276 29.762 -0.759 0.000 1.407 540 H HN 0.399 nan 8.280 nan 0.000 0.564 541 K N 0.752 120.838 120.400 -0.524 0.000 2.374 541 K HA 0.091 4.414 4.320 0.004 0.000 0.196 541 K C 0.206 176.668 176.600 -0.231 0.000 1.023 541 K CA -0.142 55.941 56.287 -0.339 0.000 1.103 541 K CB 0.291 32.617 32.500 -0.289 0.000 0.848 541 K HN 0.152 nan 8.250 nan 0.000 0.528 542 c N 2.822 121.170 118.600 -0.420 0.000 2.585 542 c HA 0.172 4.745 4.570 0.004 0.000 0.406 542 c C -0.218 173.714 174.090 -0.263 0.000 1.312 542 c CA -0.339 55.594 56.329 -0.659 0.000 1.924 542 c CB -0.356 41.660 42.510 -0.823 0.000 2.578 542 c HN 0.383 nan 8.230 nan 0.000 0.580 543 D N 4.037 124.338 120.400 -0.166 0.000 2.757 543 D HA 0.285 4.927 4.640 0.004 0.000 0.249 543 D C 0.571 176.881 176.300 0.017 0.000 1.168 543 D CA -0.764 53.202 54.000 -0.057 0.000 0.870 543 D CB 0.901 41.706 40.800 0.008 0.000 1.411 543 D HN 0.606 nan 8.370 nan 0.000 0.525 544 I N 0.300 120.904 120.570 0.058 0.000 3.564 544 I HA 0.195 4.368 4.170 0.004 0.000 0.294 544 I C 0.164 176.319 176.117 0.064 0.000 1.289 544 I CA -0.440 60.896 61.300 0.060 0.000 1.325 544 I CB -0.167 37.857 38.000 0.040 0.000 1.039 544 I HN 0.029 nan 8.210 nan 0.000 0.474 545 S N 2.642 118.457 115.700 0.191 0.000 2.561 545 S HA -0.052 4.420 4.470 0.004 0.000 0.294 545 S C 1.061 175.689 174.600 0.047 0.000 1.294 545 S CA 0.463 58.766 58.200 0.172 0.000 1.055 545 S CB 0.046 63.488 63.200 0.402 0.000 0.819 545 S HN 0.733 nan 8.310 nan 0.000 0.503 546 N N -0.404 118.279 118.700 -0.027 0.000 2.961 546 N HA -0.185 4.557 4.740 0.004 0.000 0.223 546 N C -0.045 175.446 175.510 -0.031 0.000 0.866 546 N CA 1.143 54.182 53.050 -0.019 0.000 1.030 546 N CB -0.927 37.572 38.487 0.021 0.000 1.037 546 N HN 0.602 nan 8.380 nan 0.000 0.608 547 S N 1.027 116.705 115.700 -0.037 0.000 2.411 547 S HA 0.247 4.720 4.470 0.004 0.000 0.304 547 S C 1.552 176.117 174.600 -0.059 0.000 1.098 547 S CA 0.429 58.609 58.200 -0.033 0.000 1.068 547 S CB 0.726 63.918 63.200 -0.013 0.000 1.032 547 S HN 0.319 nan 8.310 nan 0.000 0.511 548 T N 1.819 116.339 114.554 -0.057 0.000 2.977 548 T HA -0.081 4.272 4.350 0.004 0.000 0.271 548 T C 1.416 176.085 174.700 -0.052 0.000 1.105 548 T CA 1.042 63.102 62.100 -0.067 0.000 1.116 548 T CB -0.217 68.613 68.868 -0.063 0.000 0.878 548 T HN 0.541 nan 8.240 nan 0.000 0.509 549 E N 2.100 122.280 120.200 -0.034 0.000 2.028 549 E HA 0.132 4.484 4.350 0.004 0.000 0.191 549 E C 2.453 179.041 176.600 -0.021 0.000 0.988 549 E CA 1.467 57.855 56.400 -0.021 0.000 0.799 549 E CB -1.029 28.666 29.700 -0.009 0.000 0.755 549 E HN 0.594 nan 8.360 nan 0.000 0.447 550 A N 0.450 123.255 122.820 -0.024 0.000 1.908 550 A HA -0.117 4.205 4.320 0.004 0.000 0.218 550 A C 2.409 179.969 177.584 -0.040 0.000 1.181 550 A CA 2.123 54.144 52.037 -0.027 0.000 0.627 550 A CB -1.384 17.601 19.000 -0.025 0.000 0.818 550 A HN 0.387 nan 8.150 nan 0.000 0.445 551 G N -0.808 107.958 108.800 -0.057 0.000 2.628 551 G HA2 -0.383 3.580 3.960 0.004 0.000 0.217 551 G HA3 -0.383 3.580 3.960 0.004 0.000 0.217 551 G C 1.533 176.425 174.900 -0.012 0.000 1.240 551 G CA 1.537 46.602 45.100 -0.058 0.000 0.792 551 G HN 0.526 nan 8.290 nan 0.000 0.593 552 Q N 0.460 120.253 119.800 -0.012 0.000 2.156 552 Q HA -0.180 4.163 4.340 0.004 0.000 0.211 552 Q C 2.382 178.414 176.000 0.054 0.000 0.995 552 Q CA 2.413 58.240 55.803 0.040 0.000 0.877 552 Q CB -0.377 28.369 28.738 0.013 0.000 0.920 552 Q HN 0.627 nan 8.270 nan 0.000 0.416 553 K N -1.053 119.347 120.400 0.000 0.000 2.044 553 K HA -0.099 4.223 4.320 0.004 0.000 0.204 553 K C 2.047 178.596 176.600 -0.084 0.000 1.049 553 K CA 0.933 57.201 56.287 -0.032 0.000 0.945 553 K CB -0.259 32.221 32.500 -0.033 0.000 0.724 553 K HN 0.267 nan 8.250 nan 0.000 0.440 554 L N 0.963 122.127 121.223 -0.099 0.000 1.956 554 L HA -0.193 4.149 4.340 0.004 0.000 0.216 554 L C 2.077 178.844 176.870 -0.171 0.000 1.073 554 L CA 1.817 56.544 54.840 -0.188 0.000 0.762 554 L CB -0.769 41.203 42.059 -0.145 0.000 0.889 554 L HN 0.236 nan 8.230 nan 0.000 0.433 555 F N 0.012 119.838 119.950 -0.206 0.000 2.287 555 F HA -0.303 4.226 4.527 0.004 0.000 0.301 555 F C 2.124 177.828 175.800 -0.160 0.000 1.069 555 F CA 1.670 59.556 58.000 -0.189 0.000 1.372 555 F CB -0.235 38.679 39.000 -0.143 0.000 1.056 555 F HN 0.317 nan 8.300 nan 0.000 0.523 556 N N 0.500 119.093 118.700 -0.179 0.000 2.171 556 N HA -0.183 4.559 4.740 0.004 0.000 0.184 556 N C 1.767 177.111 175.510 -0.277 0.000 1.021 556 N CA 1.861 54.781 53.050 -0.216 0.000 0.854 556 N CB -0.280 38.150 38.487 -0.095 0.000 0.994 556 N HN 0.513 nan 8.380 nan 0.000 0.426 557 M N -1.170 118.268 119.600 -0.270 0.000 2.288 557 M HA 0.137 4.619 4.480 0.004 0.000 0.266 557 M C 1.500 177.614 176.300 -0.310 0.000 1.072 557 M CA 1.297 56.450 55.300 -0.246 0.000 1.132 557 M CB -0.594 31.873 32.600 -0.222 0.000 1.386 557 M HN -0.063 nan 8.290 nan 0.000 0.432 558 L N 1.448 122.396 121.223 -0.457 0.000 2.046 558 L HA -0.090 4.252 4.340 0.004 0.000 0.208 558 L C 2.715 179.395 176.870 -0.316 0.000 1.077 558 L CA 2.103 56.613 54.840 -0.550 0.000 0.747 558 L CB -0.847 40.895 42.059 -0.528 0.000 0.896 558 L HN 0.603 nan 8.230 nan 0.000 0.432 559 R N -2.060 118.126 120.500 -0.523 0.000 2.235 559 R HA -0.083 4.259 4.340 0.004 0.000 0.213 559 R C 1.783 178.008 176.300 -0.126 0.000 1.059 559 R CA 0.671 56.541 56.100 -0.383 0.000 0.997 559 R CB -0.546 29.366 30.300 -0.646 0.000 0.884 559 R HN 0.174 nan 8.270 nan 0.000 0.462 560 L N 0.920 122.075 121.223 -0.112 0.000 2.056 560 L HA 0.107 4.450 4.340 0.004 0.000 0.207 560 L C 1.615 178.480 176.870 -0.010 0.000 1.078 560 L CA 1.960 56.761 54.840 -0.064 0.000 0.749 560 L CB -1.249 40.751 42.059 -0.098 0.000 0.901 560 L HN 0.587 nan 8.230 nan 0.000 0.433 561 G N -0.250 108.607 108.800 0.095 0.000 2.582 561 G HA2 -0.405 3.558 3.960 0.004 0.000 0.288 561 G HA3 -0.405 3.558 3.960 0.004 0.000 0.288 561 G C 1.005 175.811 174.900 -0.157 0.000 1.247 561 G CA 0.470 45.540 45.100 -0.051 0.000 0.972 561 G HN 0.277 nan 8.290 nan 0.000 0.557 562 K N 0.855 121.111 120.400 -0.240 0.000 2.525 562 K HA 0.117 4.440 4.320 0.004 0.000 0.192 562 K C 2.805 179.322 176.600 -0.138 0.000 1.029 562 K CA 1.050 57.219 56.287 -0.197 0.000 1.029 562 K CB -0.037 32.340 32.500 -0.206 0.000 0.814 562 K HN 0.556 nan 8.250 nan 0.000 0.503 563 S N 0.937 116.567 115.700 -0.118 0.000 2.392 563 S HA -0.157 4.315 4.470 0.004 0.000 0.232 563 S C 0.750 175.303 174.600 -0.078 0.000 1.041 563 S CA 1.181 59.331 58.200 -0.083 0.000 1.026 563 S CB 0.072 63.233 63.200 -0.067 0.000 0.845 563 S HN 0.176 nan 8.310 nan 0.000 0.465 564 E N 1.156 121.298 120.200 -0.098 0.000 2.264 564 E HA 0.532 4.884 4.350 0.004 0.000 0.260 564 E C -2.849 173.677 176.600 -0.124 0.000 0.961 564 E CA -2.640 53.698 56.400 -0.104 0.000 0.834 564 E CB 0.342 29.968 29.700 -0.124 0.000 1.230 564 E HN 0.187 nan 8.360 nan 0.000 0.412 565 P HA 0.005 nan 4.420 nan 0.000 0.275 565 P C 1.051 178.210 177.300 -0.234 0.000 1.227 565 P CA -0.292 62.710 63.100 -0.163 0.000 0.781 565 P CB 0.207 31.802 31.700 -0.174 0.000 0.906 566 W N 2.946 124.103 121.300 -0.238 0.000 2.387 566 W HA -0.195 4.468 4.660 0.004 0.000 0.272 566 W C 0.798 177.232 176.519 -0.142 0.000 1.224 566 W CA 1.700 58.846 57.345 -0.331 0.000 1.210 566 W CB -2.365 26.867 29.460 -0.380 0.000 1.125 566 W HN 0.340 nan 8.180 nan 0.000 0.572 567 T N 0.091 114.179 114.554 -0.776 0.000 2.821 567 T HA -0.226 4.126 4.350 0.004 0.000 0.267 567 T C 2.070 176.517 174.700 -0.421 0.000 1.046 567 T CA 1.511 63.214 62.100 -0.663 0.000 1.139 567 T CB -0.867 67.612 68.868 -0.649 0.000 0.871 567 T HN 0.296 nan 8.240 nan 0.000 0.454 568 L N 0.821 121.722 121.223 -0.537 0.000 2.044 568 L HA 0.222 4.564 4.340 0.004 0.000 0.205 568 L C 3.027 179.742 176.870 -0.259 0.000 1.075 568 L CA 1.314 55.798 54.840 -0.593 0.000 0.747 568 L CB -0.778 40.898 42.059 -0.638 0.000 0.903 568 L HN 0.359 nan 8.230 nan 0.000 0.435 569 A N -0.007 122.724 122.820 -0.150 0.000 1.917 569 A HA -0.248 4.074 4.320 0.004 0.000 0.219 569 A C 2.280 179.965 177.584 0.169 0.000 1.182 569 A CA 1.990 54.026 52.037 -0.001 0.000 0.633 569 A CB -0.980 18.000 19.000 -0.033 0.000 0.819 569 A HN 0.521 nan 8.150 nan 0.000 0.448 570 L N -0.676 120.718 121.223 0.283 0.000 1.989 570 L HA -0.203 4.139 4.340 0.004 0.000 0.211 570 L C 2.614 179.547 176.870 0.104 0.000 1.071 570 L CA 2.342 57.345 54.840 0.272 0.000 0.749 570 L CB -0.534 41.682 42.059 0.260 0.000 0.890 570 L HN 0.622 nan 8.230 nan 0.000 0.431 571 E N -0.271 119.928 120.200 -0.002 0.000 2.333 571 E HA -0.241 4.111 4.350 0.004 0.000 0.198 571 E C 1.508 178.090 176.600 -0.031 0.000 1.007 571 E CA 0.720 57.103 56.400 -0.028 0.000 0.845 571 E CB 0.141 29.774 29.700 -0.112 0.000 0.766 571 E HN 0.451 nan 8.360 nan 0.000 0.507 572 N N -0.416 118.253 118.700 -0.051 0.000 2.396 572 N HA -0.106 4.636 4.740 0.004 0.000 0.180 572 N C 1.591 177.068 175.510 -0.055 0.000 1.028 572 N CA 1.307 54.319 53.050 -0.063 0.000 0.893 572 N CB 0.543 38.973 38.487 -0.095 0.000 0.967 572 N HN 0.229 nan 8.380 nan 0.000 0.440 573 V N -2.784 117.105 119.914 -0.042 0.000 3.151 573 V HA 0.170 4.293 4.120 0.004 0.000 0.241 573 V C 1.840 177.954 176.094 0.033 0.000 1.173 573 V CA 0.586 62.858 62.300 -0.047 0.000 1.154 573 V CB -0.295 31.426 31.823 -0.170 0.000 0.898 573 V HN 0.056 nan 8.190 nan 0.000 0.473 574 V N -1.630 118.333 119.914 0.082 0.000 3.125 574 V HA 0.690 4.813 4.120 0.004 0.000 0.249 574 V C 1.743 177.887 176.094 0.084 0.000 1.113 574 V CA 1.225 63.592 62.300 0.112 0.000 1.106 574 V CB -0.202 31.717 31.823 0.159 0.000 0.768 574 V HN 1.415 nan 8.190 nan 0.000 0.468 575 G N -0.187 108.652 108.800 0.065 0.000 2.130 575 G HA2 0.266 4.228 3.960 0.004 0.000 0.216 575 G HA3 0.266 4.228 3.960 0.004 0.000 0.216 575 G C 0.059 175.001 174.900 0.069 0.000 0.999 575 G CA 0.019 45.155 45.100 0.059 0.000 0.686 575 G HN 1.868 nan 8.290 nan 0.000 0.515 576 A N -1.044 121.821 122.820 0.075 0.000 2.606 576 A HA 0.817 5.139 4.320 0.004 0.000 0.293 576 A C 0.400 178.026 177.584 0.071 0.000 1.082 576 A CA -0.003 52.084 52.037 0.084 0.000 0.685 576 A CB 0.813 19.871 19.000 0.097 0.000 1.284 576 A HN 0.313 nan 8.150 nan 0.000 0.408 577 K N 0.658 121.103 120.400 0.074 0.000 2.444 577 K HA 0.176 4.498 4.320 0.004 0.000 0.193 577 K C -0.063 176.527 176.600 -0.016 0.000 1.024 577 K CA 0.374 56.675 56.287 0.023 0.000 1.077 577 K CB 0.059 32.634 32.500 0.125 0.000 0.833 577 K HN 0.577 nan 8.250 nan 0.000 0.517 578 N N 0.407 119.164 118.700 0.095 0.000 2.774 578 N HA 0.210 4.952 4.740 0.004 0.000 0.264 578 N C -1.330 174.349 175.510 0.283 0.000 1.415 578 N CA -0.789 52.374 53.050 0.190 0.000 0.815 578 N CB 1.076 39.682 38.487 0.199 0.000 1.514 578 N HN -0.079 nan 8.380 nan 0.000 0.523 579 M N 0.766 120.589 119.600 0.371 0.000 2.250 579 M HA 0.258 4.740 4.480 0.004 0.000 0.344 579 M C -0.663 175.790 176.300 0.255 0.000 1.150 579 M CA 0.030 55.554 55.300 0.373 0.000 1.147 579 M CB 0.481 33.321 32.600 0.400 0.000 1.498 579 M HN 0.528 nan 8.290 nan 0.000 0.461 580 N N 2.973 121.799 118.700 0.210 0.000 2.503 580 N HA 0.192 4.934 4.740 0.004 0.000 0.287 580 N C -0.605 174.972 175.510 0.113 0.000 1.096 580 N CA -0.481 52.665 53.050 0.161 0.000 0.936 580 N CB 2.043 40.618 38.487 0.146 0.000 1.570 580 N HN 0.607 nan 8.380 nan 0.000 0.504 581 V N 4.281 124.251 119.914 0.093 0.000 3.306 581 V HA 0.067 4.190 4.120 0.004 0.000 0.264 581 V C 2.137 178.234 176.094 0.006 0.000 1.149 581 V CA 1.162 63.477 62.300 0.026 0.000 1.143 581 V CB -0.356 31.473 31.823 0.010 0.000 0.767 581 V HN 0.635 nan 8.190 nan 0.000 0.476 582 R N 0.723 121.247 120.500 0.041 0.000 2.073 582 R HA -0.088 4.254 4.340 0.004 0.000 0.234 582 R C -0.199 176.131 176.300 0.050 0.000 1.134 582 R CA 2.286 58.408 56.100 0.036 0.000 0.952 582 R CB -1.460 28.874 30.300 0.055 0.000 0.850 582 R HN 0.474 nan 8.270 nan 0.000 0.433 583 P HA -0.191 nan 4.420 nan 0.000 0.215 583 P C 1.191 178.543 177.300 0.088 0.000 1.157 583 P CA 0.990 64.162 63.100 0.119 0.000 0.874 583 P CB -0.025 31.769 31.700 0.158 0.000 0.790 584 L N -1.290 119.926 121.223 -0.012 0.000 2.081 584 L HA -0.195 4.148 4.340 0.004 0.000 0.212 584 L C 1.960 178.768 176.870 -0.102 0.000 1.080 584 L CA 1.981 56.639 54.840 -0.304 0.000 0.754 584 L CB -1.180 40.684 42.059 -0.326 0.000 0.893 584 L HN -0.124 nan 8.230 nan 0.000 0.433 585 L N -0.394 120.807 121.223 -0.036 0.000 2.072 585 L HA -0.133 4.210 4.340 0.004 0.000 0.205 585 L C 2.250 179.169 176.870 0.082 0.000 1.079 585 L CA 1.754 56.590 54.840 -0.006 0.000 0.752 585 L CB -1.744 40.258 42.059 -0.095 0.000 0.906 585 L HN 0.441 nan 8.230 nan 0.000 0.436 586 N N -1.612 117.141 118.700 0.088 0.000 2.289 586 N HA -0.263 4.480 4.740 0.004 0.000 0.184 586 N C 1.815 177.410 175.510 0.142 0.000 1.016 586 N CA 0.906 54.025 53.050 0.114 0.000 0.872 586 N CB -0.205 38.353 38.487 0.118 0.000 0.973 586 N HN 0.291 nan 8.380 nan 0.000 0.433 587 Y N 0.167 120.460 120.300 -0.011 0.000 2.263 587 Y HA -0.060 4.492 4.550 0.004 0.000 0.292 587 Y C 0.893 176.646 175.900 -0.245 0.000 1.130 587 Y CA 1.348 59.378 58.100 -0.117 0.000 1.179 587 Y CB -0.017 38.276 38.460 -0.277 0.000 0.998 587 Y HN -0.032 nan 8.280 nan 0.000 0.532 588 F N 0.044 120.055 119.950 0.101 0.000 2.660 588 F HA 0.093 4.622 4.527 0.004 0.000 0.302 588 F C 1.872 177.705 175.800 0.054 0.000 1.103 588 F CA -0.187 57.832 58.000 0.031 0.000 1.340 588 F CB -0.037 38.974 39.000 0.019 0.000 1.048 588 F HN -0.012 nan 8.300 nan 0.000 0.551 589 E N 1.360 121.672 120.200 0.186 0.000 2.048 589 E HA -0.203 4.150 4.350 0.004 0.000 0.202 589 E C -0.560 176.170 176.600 0.216 0.000 1.021 589 E CA 1.674 58.197 56.400 0.205 0.000 0.825 589 E CB -1.551 28.238 29.700 0.148 0.000 0.756 589 E HN 0.259 nan 8.360 nan 0.000 0.454 590 P HA -0.028 nan 4.420 nan 0.000 0.241 590 P C 1.392 178.773 177.300 0.135 0.000 1.191 590 P CA 0.414 63.584 63.100 0.116 0.000 0.771 590 P CB 0.027 31.767 31.700 0.066 0.000 0.929 591 L N -1.491 119.827 121.223 0.159 0.000 2.102 591 L HA 0.083 4.425 4.340 0.004 0.000 0.202 591 L C 2.134 179.183 176.870 0.299 0.000 1.076 591 L CA 1.374 56.341 54.840 0.212 0.000 0.761 591 L CB -1.274 40.932 42.059 0.245 0.000 0.921 591 L HN -0.175 nan 8.230 nan 0.000 0.444 592 F N 0.825 120.846 119.950 0.118 0.000 2.043 592 F HA -0.312 4.217 4.527 0.004 0.000 0.297 592 F C 2.659 178.451 175.800 -0.014 0.000 1.121 592 F CA 2.538 60.562 58.000 0.039 0.000 1.199 592 F CB -1.161 37.861 39.000 0.036 0.000 0.968 592 F HN 0.354 nan 8.300 nan 0.000 0.478 593 T N -2.238 112.292 114.554 -0.040 0.000 2.665 593 T HA -0.365 3.987 4.350 0.004 0.000 0.268 593 T C 1.847 176.480 174.700 -0.112 0.000 1.035 593 T CA 1.622 63.620 62.100 -0.169 0.000 1.151 593 T CB -1.699 67.167 68.868 -0.003 0.000 0.862 593 T HN 0.626 nan 8.240 nan 0.000 0.438 594 W N 1.183 122.410 121.300 -0.122 0.000 2.402 594 W HA 0.112 4.774 4.660 0.004 0.000 0.286 594 W C 1.663 178.096 176.519 -0.143 0.000 1.221 594 W CA 0.189 57.479 57.345 -0.092 0.000 1.257 594 W CB -0.367 29.075 29.460 -0.031 0.000 1.120 594 W HN 0.117 nan 8.180 nan 0.000 0.551 595 L N 1.183 122.372 121.223 -0.057 0.000 2.083 595 L HA -0.169 4.173 4.340 0.004 0.000 0.209 595 L C 2.305 178.956 176.870 -0.365 0.000 1.083 595 L CA 1.876 56.575 54.840 -0.235 0.000 0.752 595 L CB -1.347 40.693 42.059 -0.032 0.000 0.899 595 L HN -0.084 nan 8.230 nan 0.000 0.433 596 K N -0.566 119.513 120.400 -0.536 0.000 2.097 596 K HA -0.184 4.138 4.320 0.004 0.000 0.206 596 K C 1.724 178.137 176.600 -0.311 0.000 1.049 596 K CA 1.585 57.533 56.287 -0.564 0.000 0.933 596 K CB -0.143 31.928 32.500 -0.714 0.000 0.717 596 K HN 0.284 nan 8.250 nan 0.000 0.442 597 D N 0.003 120.190 120.400 -0.355 0.000 2.097 597 D HA -0.124 4.519 4.640 0.004 0.000 0.197 597 D C 2.022 178.131 176.300 -0.319 0.000 0.984 597 D CA 0.877 54.691 54.000 -0.309 0.000 0.826 597 D CB 0.084 40.685 40.800 -0.331 0.000 0.973 597 D HN 0.054 nan 8.370 nan 0.000 0.460 598 Q N 0.315 119.818 119.800 -0.494 0.000 2.135 598 Q HA -0.124 4.219 4.340 0.004 0.000 0.204 598 Q C 1.498 177.412 176.000 -0.143 0.000 0.981 598 Q CA 1.112 56.694 55.803 -0.368 0.000 0.856 598 Q CB -0.670 27.762 28.738 -0.510 0.000 0.902 598 Q HN 0.508 nan 8.270 nan 0.000 0.425 599 N N 0.400 119.045 118.700 -0.092 0.000 2.515 599 N HA -0.088 4.654 4.740 0.004 0.000 0.185 599 N C 1.318 176.822 175.510 -0.009 0.000 1.109 599 N CA 0.011 53.066 53.050 0.009 0.000 0.903 599 N CB 0.088 38.660 38.487 0.142 0.000 0.969 599 N HN -0.015 nan 8.380 nan 0.000 0.450 600 K N 1.626 121.993 120.400 -0.054 0.000 2.081 600 K HA -0.190 4.133 4.320 0.004 0.000 0.222 600 K C 0.464 177.053 176.600 -0.017 0.000 1.055 600 K CA 1.632 57.892 56.287 -0.045 0.000 0.954 600 K CB -0.139 32.321 32.500 -0.067 0.000 0.732 600 K HN 0.207 nan 8.250 nan 0.000 0.458 601 N N -0.414 118.275 118.700 -0.018 0.000 2.275 601 N HA 0.116 4.858 4.740 0.004 0.000 0.236 601 N C -0.741 174.776 175.510 0.012 0.000 1.154 601 N CA 0.016 53.064 53.050 -0.003 0.000 0.866 601 N CB 1.039 39.517 38.487 -0.015 0.000 1.093 601 N HN -0.024 nan 8.380 nan 0.000 0.515 602 S N -0.272 115.442 115.700 0.023 0.000 2.747 602 S HA 0.507 4.980 4.470 0.004 0.000 0.300 602 S C -0.886 173.783 174.600 0.114 0.000 1.121 602 S CA -0.612 57.619 58.200 0.052 0.000 0.995 602 S CB 1.424 64.642 63.200 0.030 0.000 1.113 602 S HN 0.224 nan 8.310 nan 0.000 0.547 603 F N 1.902 121.837 119.950 -0.025 0.000 2.415 603 F HA 0.610 5.140 4.527 0.004 0.000 0.348 603 F C -0.718 175.074 175.800 -0.013 0.000 1.119 603 F CA -0.542 57.443 58.000 -0.025 0.000 1.069 603 F CB 0.750 39.733 39.000 -0.028 0.000 1.124 603 F HN 0.177 nan 8.300 nan 0.000 0.472 604 V N 6.474 125.927 119.914 -0.769 0.000 2.394 604 V HA 0.815 4.938 4.120 0.004 0.000 0.282 604 V C 0.342 175.835 176.094 -1.003 0.000 1.031 604 V CA 0.266 62.154 62.300 -0.686 0.000 0.881 604 V CB 0.554 32.016 31.823 -0.601 0.000 0.982 604 V HN 1.200 nan 8.190 nan 0.000 0.451 605 G N 4.459 112.881 108.800 -0.629 0.000 2.592 605 G HA2 0.004 3.967 3.960 0.004 0.000 0.684 605 G HA3 0.004 3.967 3.960 0.004 0.000 0.684 605 G C -1.228 173.528 174.900 -0.239 0.000 1.291 605 G CA -0.169 44.497 45.100 -0.722 0.000 0.891 605 G HN 1.651 nan 8.290 nan 0.000 0.544 606 W N -1.480 119.809 121.300 -0.018 0.000 3.025 606 W HA 0.805 5.467 4.660 0.004 0.000 0.343 606 W C -0.063 176.578 176.519 0.202 0.000 1.246 606 W CA -0.798 56.652 57.345 0.175 0.000 1.178 606 W CB 1.100 30.608 29.460 0.080 0.000 1.463 606 W HN 1.378 nan 8.180 nan 0.000 0.578 607 S N -0.072 115.898 115.700 0.450 0.000 2.489 607 S HA 0.420 4.892 4.470 0.004 0.000 0.291 607 S C 0.721 175.559 174.600 0.397 0.000 1.151 607 S CA 0.143 58.534 58.200 0.318 0.000 1.082 607 S CB 1.136 64.467 63.200 0.217 0.000 1.019 607 S HN 0.758 nan 8.310 nan 0.000 0.492 608 T N 0.862 115.610 114.554 0.323 0.000 3.129 608 T HA 0.162 4.515 4.350 0.004 0.000 0.251 608 T C 0.550 175.379 174.700 0.215 0.000 1.117 608 T CA 0.209 62.489 62.100 0.300 0.000 1.034 608 T CB -0.109 68.915 68.868 0.261 0.000 0.968 608 T HN 0.560 nan 8.240 nan 0.000 0.526 609 D N 0.065 120.584 120.400 0.199 0.000 2.277 609 D HA 0.099 4.741 4.640 0.004 0.000 0.209 609 D C 0.403 176.774 176.300 0.118 0.000 0.970 609 D CA -0.043 54.037 54.000 0.133 0.000 0.874 609 D CB -0.104 40.763 40.800 0.111 0.000 0.982 609 D HN 0.526 nan 8.370 nan 0.000 0.504 610 W N 2.132 123.430 121.300 -0.003 0.000 2.209 610 W HA 0.139 4.801 4.660 0.004 0.000 0.344 610 W C -0.240 176.205 176.519 -0.123 0.000 1.285 610 W CA 0.733 58.047 57.345 -0.051 0.000 1.267 610 W CB 0.542 29.993 29.460 -0.016 0.000 1.167 610 W HN -0.342 nan 8.180 nan 0.000 0.574 611 S N 5.562 120.540 115.700 -1.202 0.000 2.541 611 S HA 0.290 4.762 4.470 0.004 0.000 0.271 611 S C -2.151 171.412 174.600 -1.729 0.000 1.133 611 S CA -0.906 56.499 58.200 -1.325 0.000 0.876 611 S CB 2.359 64.824 63.200 -1.225 0.000 1.105 611 S HN 0.451 nan 8.310 nan 0.000 0.470 612 P HA 0.134 nan 4.420 nan 0.000 0.249 612 P C 0.122 177.211 177.300 -0.352 0.000 1.229 612 P CA 0.318 62.974 63.100 -0.741 0.000 0.788 612 P CB -0.254 31.311 31.700 -0.224 0.000 1.072 613 Y N -2.874 117.224 120.300 -0.337 0.000 2.652 613 Y HA 0.618 5.170 4.550 0.004 0.000 0.275 613 Y C 2.233 178.024 175.900 -0.182 0.000 1.133 613 Y CA 0.160 58.137 58.100 -0.206 0.000 1.246 613 Y CB -1.298 37.050 38.460 -0.186 0.000 1.334 613 Y HN -0.168 nan 8.280 nan 0.000 0.493 614 A N 1.629 124.257 122.820 -0.320 0.000 2.093 614 A HA -0.185 4.138 4.320 0.004 0.000 0.222 614 A C 0.874 178.408 177.584 -0.082 0.000 1.162 614 A CA 1.506 53.469 52.037 -0.123 0.000 0.655 614 A CB -1.500 17.333 19.000 -0.277 0.000 0.805 614 A HN 0.715 nan 8.150 nan 0.000 0.461 615 D N 0.000 120.325 120.400 -0.125 0.000 6.856 615 D HA 0.000 4.642 4.640 0.004 0.000 0.175 615 D CA 0.000 53.955 54.000 -0.075 0.000 0.868 615 D CB 0.000 40.747 40.800 -0.088 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683