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 2i56_1_D DATA FIRST_RESID 3 DATA SEQUENCE EFRIAQDVVA RENDRRASAL KEDYEALGAN LARRGVDIEA VTAKVEKFFV DATA SEQUENCE AVPSWGVGTG GTRFARFPGT GEPRGIFDKL DDCAVIQQLT RATPNVSLHI DATA SEQUENCE PWDKADPKEL KARGDALGLG FDAMNSNTFS DAPGQAHSYK YGSLSHTNAA DATA SEQUENCE TRAQAVEHNL ECIEIGKAIG SKALTVWIGD GSNFPGQSNF TRAFERYLSA DATA SEQUENCE MAEIYKGLPD DWKLFSEHKM YEPAFYSTVV QDWGTNYLIA QTLGPKAQCL DATA SEQUENCE VDLGHHAPNT NIEMIVARLI QFGKLGGFHF NDSKYGDDDL DAGAIEPYRL DATA SEQUENCE FLVFNELVDA EARGVKGFHP AHMIDQSHNV TDPIESLINS ANEIRRAYAQ DATA SEQUENCE ALLVDRAALS GYQEDNDALM ATETLKRAYR TDVEPILAEA RRRTGGAVDP DATA SEQUENCE VATYRASGYR ARVAAERPA 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.473 176.600 -0.211 0.000 1.382 3 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 3 E CB 0.000 29.721 29.700 0.036 0.000 0.812 4 F N 1.195 121.153 119.950 0.013 0.000 2.460 4 F HA 0.445 4.972 4.527 -0.001 0.000 0.341 4 F C 1.341 177.159 175.800 0.030 0.000 1.130 4 F CA -1.067 56.939 58.000 0.010 0.000 0.962 4 F CB 1.548 40.550 39.000 0.004 0.000 1.171 4 F HN 0.370 nan 8.300 nan 0.000 0.436 5 R N 1.634 122.221 120.500 0.146 0.000 2.096 5 R HA 0.034 4.374 4.340 -0.001 0.000 0.235 5 R C 0.392 176.799 176.300 0.177 0.000 1.127 5 R CA 0.983 57.176 56.100 0.154 0.000 0.968 5 R CB -0.024 30.306 30.300 0.050 0.000 0.861 5 R HN 0.352 nan 8.270 nan 0.000 0.440 6 I N 1.264 121.919 120.570 0.141 0.000 2.336 6 I HA 0.225 4.394 4.170 -0.001 0.000 0.292 6 I C 0.271 176.461 176.117 0.122 0.000 0.991 6 I CA -1.562 59.810 61.300 0.120 0.000 1.227 6 I CB 1.058 39.102 38.000 0.074 0.000 1.366 6 I HN -0.067 nan 8.210 nan 0.000 0.466 7 A N 6.179 129.045 122.820 0.076 0.000 2.567 7 A HA 0.012 4.331 4.320 -0.001 0.000 0.240 7 A C 1.273 178.833 177.584 -0.039 0.000 1.053 7 A CA 0.128 52.176 52.037 0.017 0.000 0.755 7 A CB 0.045 19.050 19.000 0.009 0.000 0.978 7 A HN 0.822 nan 8.150 nan 0.000 0.507 8 Q N 1.203 120.915 119.800 -0.147 0.000 2.234 8 Q HA -0.209 4.130 4.340 -0.001 0.000 0.206 8 Q C 1.088 177.015 176.000 -0.122 0.000 0.980 8 Q CA 1.559 57.232 55.803 -0.217 0.000 0.869 8 Q CB -0.112 28.376 28.738 -0.417 0.000 0.912 8 Q HN 0.991 nan 8.270 nan 0.000 0.436 9 D N -0.073 120.274 120.400 -0.089 0.000 2.234 9 D HA -0.096 4.543 4.640 -0.001 0.000 0.205 9 D C 1.746 178.024 176.300 -0.038 0.000 0.962 9 D CA 0.615 54.580 54.000 -0.060 0.000 0.855 9 D CB -0.321 40.450 40.800 -0.048 0.000 0.951 9 D HN 0.091 nan 8.370 nan 0.000 0.500 10 V N 0.621 120.518 119.914 -0.028 0.000 2.379 10 V HA -0.173 3.947 4.120 -0.001 0.000 0.245 10 V C 2.826 178.914 176.094 -0.010 0.000 1.044 10 V CA 1.057 63.350 62.300 -0.013 0.000 1.036 10 V CB -0.236 31.587 31.823 -0.000 0.000 0.664 10 V HN 0.108 nan 8.190 nan 0.000 0.453 11 V N 0.523 120.430 119.914 -0.011 0.000 2.295 11 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 11 V C 2.744 178.829 176.094 -0.015 0.000 1.049 11 V CA 2.141 64.439 62.300 -0.005 0.000 1.024 11 V CB -1.193 30.630 31.823 -0.000 0.000 0.648 11 V HN 0.550 nan 8.190 nan 0.000 0.447 12 A N -0.120 122.682 122.820 -0.030 0.000 1.877 12 A HA -0.270 4.050 4.320 -0.001 0.000 0.216 12 A C 2.428 179.998 177.584 -0.023 0.000 1.186 12 A CA 2.153 54.172 52.037 -0.031 0.000 0.620 12 A CB -0.616 18.358 19.000 -0.043 0.000 0.822 12 A HN 0.470 nan 8.150 nan 0.000 0.443 13 R N -0.530 119.957 120.500 -0.021 0.000 2.080 13 R HA -0.165 4.175 4.340 -0.001 0.000 0.236 13 R C 1.834 178.127 176.300 -0.011 0.000 1.137 13 R CA 1.765 57.855 56.100 -0.016 0.000 0.943 13 R CB -0.246 30.044 30.300 -0.015 0.000 0.846 13 R HN 0.444 nan 8.270 nan 0.000 0.431 14 E N 0.251 120.447 120.200 -0.008 0.000 2.268 14 E HA -0.123 4.227 4.350 -0.001 0.000 0.195 14 E C 1.527 178.124 176.600 -0.004 0.000 0.995 14 E CA 0.934 57.332 56.400 -0.003 0.000 0.836 14 E CB -0.306 29.397 29.700 0.005 0.000 0.763 14 E HN 0.528 nan 8.360 nan 0.000 0.491 15 N N 0.626 119.321 118.700 -0.008 0.000 2.173 15 N HA -0.103 4.636 4.740 -0.001 0.000 0.184 15 N C 1.267 176.769 175.510 -0.014 0.000 1.025 15 N CA 0.733 53.776 53.050 -0.011 0.000 0.852 15 N CB 0.120 38.598 38.487 -0.014 0.000 0.998 15 N HN 0.060 nan 8.380 nan 0.000 0.427 16 D N 0.956 121.347 120.400 -0.015 0.000 2.149 16 D HA -0.169 4.470 4.640 -0.001 0.000 0.198 16 D C 1.800 178.093 176.300 -0.012 0.000 0.990 16 D CA 0.823 54.814 54.000 -0.015 0.000 0.839 16 D CB -0.180 40.610 40.800 -0.016 0.000 0.948 16 D HN 0.229 nan 8.370 nan 0.000 0.460 17 R N 0.716 121.210 120.500 -0.010 0.000 2.193 17 R HA -0.050 4.289 4.340 -0.001 0.000 0.229 17 R C 1.475 177.771 176.300 -0.007 0.000 1.110 17 R CA 0.993 57.088 56.100 -0.008 0.000 0.988 17 R CB 0.203 30.499 30.300 -0.006 0.000 0.871 17 R HN 0.101 nan 8.270 nan 0.000 0.458 18 R N -1.373 119.123 120.500 -0.007 0.000 2.437 18 R HA 0.250 4.589 4.340 -0.001 0.000 0.257 18 R C 1.740 178.035 176.300 -0.008 0.000 0.927 18 R CA 0.381 56.477 56.100 -0.006 0.000 1.078 18 R CB 0.616 30.913 30.300 -0.005 0.000 1.161 18 R HN 0.092 nan 8.270 nan 0.000 0.529 19 A N 1.152 123.964 122.820 -0.012 0.000 1.883 19 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 19 A C 2.160 179.737 177.584 -0.012 0.000 1.186 19 A CA 2.203 54.230 52.037 -0.017 0.000 0.624 19 A CB -0.648 18.340 19.000 -0.020 0.000 0.822 19 A HN 0.278 nan 8.150 nan 0.000 0.444 20 S N -0.472 115.224 115.700 -0.008 0.000 2.359 20 S HA -0.094 4.375 4.470 -0.001 0.000 0.224 20 S C 2.189 176.791 174.600 0.002 0.000 1.035 20 S CA 1.838 60.036 58.200 -0.003 0.000 1.018 20 S CB -0.548 62.649 63.200 -0.004 0.000 0.876 20 S HN 0.900 nan 8.310 nan 0.000 0.448 21 A N 1.255 124.076 122.820 0.001 0.000 1.902 21 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 21 A C 2.173 179.765 177.584 0.014 0.000 1.181 21 A CA 1.645 53.684 52.037 0.005 0.000 0.623 21 A CB -0.909 18.092 19.000 0.001 0.000 0.818 21 A HN 0.580 nan 8.150 nan 0.000 0.443 22 L N 0.128 121.358 121.223 0.012 0.000 2.046 22 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 22 L C 2.269 179.171 176.870 0.052 0.000 1.077 22 L CA 2.670 57.525 54.840 0.025 0.000 0.747 22 L CB -0.642 41.416 42.059 -0.002 0.000 0.896 22 L HN 0.469 nan 8.230 nan 0.000 0.432 23 K N -0.890 119.527 120.400 0.028 0.000 2.063 23 K HA -0.202 4.118 4.320 -0.001 0.000 0.208 23 K C 1.937 178.582 176.600 0.074 0.000 1.048 23 K CA 1.573 57.888 56.287 0.046 0.000 0.928 23 K CB -0.033 32.477 32.500 0.017 0.000 0.713 23 K HN 0.360 nan 8.250 nan 0.000 0.442 24 E N 1.108 121.334 120.200 0.044 0.000 2.047 24 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 24 E C 1.790 178.412 176.600 0.037 0.000 0.987 24 E CA 1.164 57.583 56.400 0.033 0.000 0.799 24 E CB -0.257 29.452 29.700 0.015 0.000 0.752 24 E HN 0.419 nan 8.360 nan 0.000 0.449 25 D N -0.195 120.231 120.400 0.044 0.000 2.144 25 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 25 D C 1.915 178.246 176.300 0.051 0.000 0.978 25 D CA 0.729 54.748 54.000 0.033 0.000 0.833 25 D CB -0.337 40.480 40.800 0.029 0.000 0.961 25 D HN 0.198 nan 8.370 nan 0.000 0.470 26 Y N 1.985 122.269 120.300 -0.026 0.000 2.163 26 Y HA -0.132 4.417 4.550 -0.001 0.000 0.288 26 Y C 2.172 178.057 175.900 -0.024 0.000 1.136 26 Y CA 1.524 59.608 58.100 -0.026 0.000 1.147 26 Y CB 0.076 38.524 38.460 -0.021 0.000 0.987 26 Y HN -0.060 nan 8.280 nan 0.000 0.509 27 E N -0.240 120.029 120.200 0.115 0.000 2.110 27 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 27 E C 2.314 178.886 176.600 -0.046 0.000 0.988 27 E CA 0.887 57.307 56.400 0.033 0.000 0.804 27 E CB -0.290 29.446 29.700 0.060 0.000 0.745 27 E HN 0.563 nan 8.360 nan 0.000 0.458 28 A N 1.465 124.261 122.820 -0.041 0.000 1.873 28 A HA -0.151 4.169 4.320 -0.001 0.000 0.215 28 A C 2.182 179.709 177.584 -0.096 0.000 1.186 28 A CA 0.964 52.968 52.037 -0.056 0.000 0.616 28 A CB -0.512 18.464 19.000 -0.040 0.000 0.823 28 A HN 0.213 nan 8.150 nan 0.000 0.442 29 L N 0.303 121.444 121.223 -0.136 0.000 2.083 29 L HA -0.008 4.331 4.340 -0.001 0.000 0.209 29 L C 2.350 179.091 176.870 -0.216 0.000 1.083 29 L CA 2.240 56.974 54.840 -0.177 0.000 0.752 29 L CB -1.146 40.785 42.059 -0.213 0.000 0.899 29 L HN 0.304 nan 8.230 nan 0.000 0.433 30 G N -1.001 107.627 108.800 -0.287 0.000 2.440 30 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.218 30 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.218 30 G C 1.598 176.416 174.900 -0.137 0.000 1.154 30 G CA 0.858 45.806 45.100 -0.254 0.000 0.767 30 G HN 0.633 nan 8.290 nan 0.000 0.552 31 A N 1.044 123.803 122.820 -0.103 0.000 1.898 31 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 31 A C 2.220 179.764 177.584 -0.066 0.000 1.181 31 A CA 1.880 53.877 52.037 -0.067 0.000 0.620 31 A CB -0.584 18.385 19.000 -0.051 0.000 0.819 31 A HN 0.454 nan 8.150 nan 0.000 0.442 32 N N 0.394 119.047 118.700 -0.078 0.000 2.084 32 N HA -0.116 4.624 4.740 -0.001 0.000 0.190 32 N C 1.749 177.216 175.510 -0.071 0.000 1.030 32 N CA 1.616 54.623 53.050 -0.071 0.000 0.849 32 N CB -0.255 38.184 38.487 -0.079 0.000 1.012 32 N HN 0.501 nan 8.380 nan 0.000 0.423 33 L N 0.697 121.866 121.223 -0.090 0.000 2.141 33 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 33 L C 2.698 179.530 176.870 -0.062 0.000 1.094 33 L CA 1.020 55.812 54.840 -0.081 0.000 0.763 33 L CB -0.485 41.510 42.059 -0.106 0.000 0.908 33 L HN 0.180 nan 8.230 nan 0.000 0.437 34 A N 0.111 122.894 122.820 -0.062 0.000 1.933 34 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 34 A C 2.353 179.916 177.584 -0.035 0.000 1.175 34 A CA 1.235 53.245 52.037 -0.045 0.000 0.628 34 A CB -0.421 18.554 19.000 -0.042 0.000 0.814 34 A HN 0.309 nan 8.150 nan 0.000 0.444 35 R N -0.861 119.617 120.500 -0.037 0.000 2.189 35 R HA -0.011 4.328 4.340 -0.001 0.000 0.223 35 R C 1.504 177.789 176.300 -0.025 0.000 1.092 35 R CA 1.099 57.182 56.100 -0.029 0.000 0.989 35 R CB -0.121 30.160 30.300 -0.030 0.000 0.876 35 R HN 0.433 nan 8.270 nan 0.000 0.457 36 R N -0.615 119.867 120.500 -0.030 0.000 2.359 36 R HA 0.118 4.458 4.340 -0.001 0.000 0.231 36 R C 0.662 176.950 176.300 -0.020 0.000 0.913 36 R CA 0.451 56.537 56.100 -0.023 0.000 1.075 36 R CB 0.882 31.165 30.300 -0.028 0.000 1.087 36 R HN 0.274 nan 8.270 nan 0.000 0.515 37 G N 0.736 109.523 108.800 -0.022 0.000 2.176 37 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.252 37 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.252 37 G C -0.123 174.763 174.900 -0.022 0.000 1.024 37 G CA 0.099 45.187 45.100 -0.019 0.000 0.755 37 G HN 0.158 nan 8.290 nan 0.000 0.507 38 V N 0.361 120.256 119.914 -0.031 0.000 2.540 38 V HA 0.532 4.652 4.120 -0.001 0.000 0.302 38 V C -0.353 175.716 176.094 -0.042 0.000 1.035 38 V CA -0.888 61.390 62.300 -0.036 0.000 0.873 38 V CB 2.004 33.800 31.823 -0.045 0.000 0.992 38 V HN 0.311 nan 8.190 nan 0.000 0.428 39 D N 3.484 123.864 120.400 -0.034 0.000 2.380 39 D HA 0.192 4.831 4.640 -0.001 0.000 0.230 39 D C 0.953 177.230 176.300 -0.038 0.000 1.154 39 D CA -0.119 53.863 54.000 -0.029 0.000 0.859 39 D CB 1.252 42.045 40.800 -0.011 0.000 1.045 39 D HN 0.547 nan 8.370 nan 0.000 0.495 40 I N 3.423 123.952 120.570 -0.068 0.000 2.335 40 I HA -0.229 3.941 4.170 -0.001 0.000 0.251 40 I C 1.542 177.657 176.117 -0.003 0.000 1.129 40 I CA 1.123 62.364 61.300 -0.098 0.000 1.402 40 I CB 0.369 38.214 38.000 -0.259 0.000 1.069 40 I HN 0.354 nan 8.210 nan 0.000 0.424 41 E N 0.963 121.186 120.200 0.039 0.000 2.110 41 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 41 E C 2.221 178.853 176.600 0.054 0.000 0.988 41 E CA 1.315 57.767 56.400 0.086 0.000 0.804 41 E CB -0.332 29.412 29.700 0.075 0.000 0.745 41 E HN 0.645 nan 8.360 nan 0.000 0.458 42 A N 0.776 123.611 122.820 0.026 0.000 1.969 42 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 42 A C 2.554 180.145 177.584 0.010 0.000 1.169 42 A CA 1.169 53.217 52.037 0.018 0.000 0.635 42 A CB -0.386 18.618 19.000 0.006 0.000 0.810 42 A HN 0.131 nan 8.150 nan 0.000 0.445 43 V N -0.525 119.385 119.914 -0.006 0.000 2.323 43 V HA -0.185 3.934 4.120 -0.001 0.000 0.244 43 V C 2.705 178.802 176.094 0.005 0.000 1.041 43 V CA 2.361 64.642 62.300 -0.032 0.000 1.025 43 V CB -1.367 30.418 31.823 -0.064 0.000 0.656 43 V HN 0.563 nan 8.190 nan 0.000 0.451 44 T N 0.861 115.445 114.554 0.050 0.000 2.684 44 T HA -0.226 4.123 4.350 -0.001 0.000 0.267 44 T C 2.091 176.830 174.700 0.065 0.000 1.036 44 T CA 1.794 63.945 62.100 0.084 0.000 1.148 44 T CB -0.537 68.423 68.868 0.154 0.000 0.863 44 T HN 0.563 nan 8.240 nan 0.000 0.436 45 A N 1.614 124.469 122.820 0.059 0.000 1.940 45 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 45 A C 2.288 179.908 177.584 0.059 0.000 1.176 45 A CA 1.734 53.803 52.037 0.053 0.000 0.631 45 A CB -0.442 18.586 19.000 0.048 0.000 0.814 45 A HN 0.472 nan 8.150 nan 0.000 0.446 46 K N -0.698 119.745 120.400 0.072 0.000 2.062 46 K HA 0.005 4.325 4.320 -0.001 0.000 0.205 46 K C 1.907 178.627 176.600 0.201 0.000 1.051 46 K CA 1.147 57.512 56.287 0.131 0.000 0.941 46 K CB -0.283 32.295 32.500 0.130 0.000 0.719 46 K HN 0.302 nan 8.250 nan 0.000 0.440 47 V N 2.860 122.869 119.914 0.159 0.000 2.287 47 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 47 V C 2.129 178.276 176.094 0.088 0.000 1.053 47 V CA 2.151 64.555 62.300 0.174 0.000 1.027 47 V CB -0.667 31.204 31.823 0.079 0.000 0.646 47 V HN 0.473 nan 8.190 nan 0.000 0.447 48 E N 0.349 120.581 120.200 0.052 0.000 2.463 48 E HA -0.213 4.137 4.350 -0.001 0.000 0.201 48 E C 1.702 178.257 176.600 -0.075 0.000 1.045 48 E CA 0.950 57.373 56.400 0.038 0.000 0.872 48 E CB -0.235 29.501 29.700 0.061 0.000 0.797 48 E HN 0.562 nan 8.360 nan 0.000 0.538 49 K N 0.074 120.362 120.400 -0.187 0.000 2.353 49 K HA 0.114 4.434 4.320 -0.001 0.000 0.195 49 K C -0.217 175.788 176.600 -0.993 0.000 1.031 49 K CA -0.319 55.662 56.287 -0.510 0.000 1.079 49 K CB 0.254 32.641 32.500 -0.188 0.000 0.857 49 K HN 0.044 nan 8.250 nan 0.000 0.535 50 F N 1.723 121.235 119.950 -0.729 0.000 2.444 50 F HA 0.233 4.759 4.527 -0.001 0.000 0.360 50 F C -0.592 174.856 175.800 -0.588 0.000 1.106 50 F CA -0.655 56.939 58.000 -0.677 0.000 1.170 50 F CB 0.250 38.878 39.000 -0.620 0.000 1.113 50 F HN -0.235 nan 8.300 nan 0.000 0.521 51 F N 5.111 124.645 119.950 -0.694 0.000 2.561 51 F HA 0.691 5.217 4.527 -0.001 0.000 0.321 51 F C -0.520 174.984 175.800 -0.493 0.000 1.065 51 F CA -1.474 56.279 58.000 -0.412 0.000 0.934 51 F CB 1.578 40.441 39.000 -0.228 0.000 1.215 51 F HN 0.205 nan 8.300 nan 0.000 0.471 52 V N 1.698 121.623 119.914 0.019 0.000 2.686 52 V HA 0.854 4.973 4.120 -0.001 0.000 0.306 52 V C -0.812 175.330 176.094 0.081 0.000 1.065 52 V CA -0.778 61.575 62.300 0.087 0.000 0.894 52 V CB 1.530 33.460 31.823 0.178 0.000 1.004 52 V HN 1.061 nan 8.190 nan 0.000 0.424 53 A N 5.664 128.539 122.820 0.091 0.000 2.388 53 A HA 0.688 5.008 4.320 -0.001 0.000 0.257 53 A C -0.293 177.293 177.584 0.003 0.000 1.095 53 A CA -0.188 51.869 52.037 0.035 0.000 0.791 53 A CB 0.844 19.879 19.000 0.058 0.000 1.029 53 A HN 1.110 nan 8.150 nan 0.000 0.489 54 V N 4.613 124.494 119.914 -0.055 0.000 2.481 54 V HA 0.404 4.523 4.120 -0.001 0.000 0.286 54 V C -2.005 173.958 176.094 -0.218 0.000 1.042 54 V CA -1.419 60.811 62.300 -0.117 0.000 0.928 54 V CB 1.689 33.446 31.823 -0.109 0.000 0.986 54 V HN 0.869 nan 8.190 nan 0.000 0.462 55 P HA 0.162 nan 4.420 nan 0.000 0.286 55 P C 0.678 177.599 177.300 -0.631 0.000 1.269 55 P CA -0.193 62.319 63.100 -0.980 0.000 0.787 55 P CB 1.516 32.138 31.700 -1.797 0.000 0.920 56 S N 3.098 118.647 115.700 -0.250 0.000 2.382 56 S HA -0.183 4.286 4.470 -0.001 0.000 0.228 56 S C 1.537 176.214 174.600 0.127 0.000 1.027 56 S CA 0.775 59.017 58.200 0.070 0.000 0.991 56 S CB -1.487 61.893 63.200 0.300 0.000 0.823 56 S HN 0.695 nan 8.310 nan 0.000 0.469 57 W N 1.626 123.042 121.300 0.194 0.000 2.961 57 W HA 0.525 5.185 4.660 -0.001 0.000 0.240 57 W C 1.570 178.126 176.519 0.062 0.000 1.305 57 W CA -0.138 57.274 57.345 0.111 0.000 1.465 57 W CB -0.595 28.999 29.460 0.224 0.000 1.135 57 W HN 0.251 nan 8.180 nan 0.000 0.688 58 G N 0.424 109.086 108.800 -0.230 0.000 3.126 58 G HA2 0.064 4.024 3.960 -0.001 0.000 0.224 58 G HA3 0.064 4.024 3.960 -0.001 0.000 0.224 58 G C 0.977 175.942 174.900 0.108 0.000 1.142 58 G CA 0.349 45.419 45.100 -0.050 0.000 0.759 58 G HN 0.216 nan 8.290 nan 0.000 0.550 59 V N 0.754 120.680 119.914 0.020 0.000 2.871 59 V HA 0.185 4.305 4.120 -0.001 0.000 0.256 59 V C 1.821 177.948 176.094 0.055 0.000 1.082 59 V CA 1.175 63.486 62.300 0.018 0.000 1.105 59 V CB -0.237 31.595 31.823 0.015 0.000 0.713 59 V HN 0.314 nan 8.190 nan 0.000 0.473 60 G N -0.536 108.306 108.800 0.070 0.000 2.491 60 G HA2 0.439 4.398 3.960 -0.001 0.000 0.327 60 G HA3 0.439 4.398 3.960 -0.001 0.000 0.327 60 G C -0.338 174.615 174.900 0.090 0.000 1.189 60 G CA -0.267 44.873 45.100 0.066 0.000 0.956 60 G HN 0.137 nan 8.290 nan 0.000 0.491 61 T N 0.302 114.905 114.554 0.083 0.000 2.916 61 T HA 0.448 4.798 4.350 -0.001 0.000 0.303 61 T C 0.937 175.682 174.700 0.075 0.000 1.025 61 T CA 0.536 62.697 62.100 0.102 0.000 1.142 61 T CB 1.073 70.004 68.868 0.104 0.000 0.947 61 T HN 0.716 nan 8.240 nan 0.000 0.544 62 G N 0.812 109.663 108.800 0.085 0.000 2.511 62 G HA2 0.720 4.679 3.960 -0.001 0.000 0.316 62 G HA3 0.720 4.679 3.960 -0.001 0.000 0.316 62 G C -0.086 174.847 174.900 0.055 0.000 1.210 62 G CA -0.400 44.729 45.100 0.049 0.000 0.969 62 G HN 0.976 nan 8.290 nan 0.000 0.492 63 G N -1.825 106.996 108.800 0.036 0.000 2.721 63 G HA2 0.734 4.694 3.960 -0.001 0.000 0.296 63 G HA3 0.734 4.694 3.960 -0.001 0.000 0.296 63 G C -0.476 174.451 174.900 0.046 0.000 1.383 63 G CA 0.355 45.475 45.100 0.034 0.000 0.788 63 G HN 1.159 nan 8.290 nan 0.000 0.500 64 T N -3.098 111.489 114.554 0.054 0.000 2.883 64 T HA 0.452 4.801 4.350 -0.001 0.000 0.284 64 T C 1.386 176.089 174.700 0.005 0.000 1.041 64 T CA -0.193 61.951 62.100 0.072 0.000 1.007 64 T CB 1.741 70.717 68.868 0.180 0.000 1.220 64 T HN 0.798 nan 8.240 nan 0.000 0.552 65 R N -0.556 119.895 120.500 -0.081 0.000 2.285 65 R HA 0.080 4.419 4.340 -0.001 0.000 0.213 65 R C 1.118 177.241 176.300 -0.296 0.000 1.068 65 R CA 1.159 57.131 56.100 -0.214 0.000 1.004 65 R CB -0.724 29.381 30.300 -0.325 0.000 0.873 65 R HN 0.494 nan 8.270 nan 0.000 0.467 66 F N 0.876 120.828 119.950 0.004 0.000 2.387 66 F HA 0.375 4.901 4.527 -0.001 0.000 0.294 66 F C 1.124 176.883 175.800 -0.069 0.000 1.093 66 F CA 0.622 58.617 58.000 -0.009 0.000 1.420 66 F CB 0.361 39.374 39.000 0.022 0.000 1.086 66 F HN 0.239 nan 8.300 nan 0.000 0.531 67 A N -0.526 122.310 122.820 0.027 0.000 2.489 67 A HA 0.614 4.933 4.320 -0.001 0.000 0.293 67 A C -1.228 176.144 177.584 -0.355 0.000 1.004 67 A CA -0.883 51.009 52.037 -0.242 0.000 0.626 67 A CB 0.856 19.576 19.000 -0.466 0.000 1.345 67 A HN 0.035 nan 8.150 nan 0.000 0.447 68 R N 0.032 120.229 120.500 -0.505 0.000 2.575 68 R HA 0.705 5.045 4.340 -0.001 0.000 0.293 68 R C -2.095 173.922 176.300 -0.472 0.000 0.983 68 R CA -0.487 55.410 56.100 -0.339 0.000 0.887 68 R CB 0.908 31.119 30.300 -0.147 0.000 1.184 68 R HN 0.588 nan 8.270 nan 0.000 0.445 69 F N 5.459 125.439 119.950 0.049 0.000 2.449 69 F HA 0.332 4.859 4.527 -0.001 0.000 0.344 69 F C -1.645 174.181 175.800 0.043 0.000 1.180 69 F CA -2.081 55.946 58.000 0.044 0.000 1.209 69 F CB 0.991 40.019 39.000 0.046 0.000 1.440 69 F HN 0.300 nan 8.300 nan 0.000 0.526 70 P HA 0.170 nan 4.420 nan 0.000 0.267 70 P C 0.383 177.753 177.300 0.117 0.000 1.200 70 P CA 0.139 63.307 63.100 0.113 0.000 0.772 70 P CB 1.407 33.149 31.700 0.069 0.000 0.855 71 G N 1.241 110.100 108.800 0.098 0.000 2.606 71 G HA2 0.532 4.491 3.960 -0.001 0.000 0.262 71 G HA3 0.532 4.491 3.960 -0.001 0.000 0.262 71 G C -0.243 174.697 174.900 0.067 0.000 1.394 71 G CA -0.333 44.818 45.100 0.085 0.000 1.044 71 G HN 0.680 nan 8.290 nan 0.000 0.553 72 T N -3.703 110.885 114.554 0.057 0.000 2.902 72 T HA 0.460 4.809 4.350 -0.001 0.000 0.280 72 T C 1.215 175.938 174.700 0.039 0.000 0.992 72 T CA 0.697 62.822 62.100 0.040 0.000 1.015 72 T CB 1.060 69.944 68.868 0.027 0.000 1.044 72 T HN 2.145 nan 8.240 nan 0.000 0.520 73 G N 1.190 110.003 108.800 0.022 0.000 2.341 73 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.292 73 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.292 73 G C -0.035 174.888 174.900 0.038 0.000 1.021 73 G CA -0.067 45.041 45.100 0.014 0.000 0.905 73 G HN 0.877 nan 8.290 nan 0.000 0.508 74 E N 0.856 121.082 120.200 0.044 0.000 2.384 74 E HA 0.172 4.521 4.350 -0.001 0.000 0.266 74 E C -1.645 174.986 176.600 0.051 0.000 1.012 74 E CA -1.407 55.024 56.400 0.051 0.000 0.901 74 E CB 0.677 30.404 29.700 0.044 0.000 0.967 74 E HN 0.347 nan 8.360 nan 0.000 0.435 75 P HA 0.078 nan 4.420 nan 0.000 0.268 75 P C 0.123 177.460 177.300 0.061 0.000 1.204 75 P CA 0.092 63.235 63.100 0.071 0.000 0.768 75 P CB 0.714 32.463 31.700 0.082 0.000 0.842 76 R N 1.633 122.176 120.500 0.070 0.000 2.161 76 R HA 0.219 4.559 4.340 -0.001 0.000 0.213 76 R C 1.362 177.708 176.300 0.076 0.000 1.055 76 R CA 1.008 57.148 56.100 0.066 0.000 0.996 76 R CB 0.042 30.385 30.300 0.071 0.000 0.901 76 R HN 0.668 nan 8.270 nan 0.000 0.456 77 G N -0.757 108.100 108.800 0.096 0.000 2.634 77 G HA2 0.149 4.108 3.960 -0.001 0.000 0.309 77 G HA3 0.149 4.108 3.960 -0.001 0.000 0.309 77 G C -0.248 174.698 174.900 0.077 0.000 1.299 77 G CA -0.707 44.450 45.100 0.095 0.000 0.798 77 G HN -0.024 nan 8.290 nan 0.000 0.490 78 I N -0.402 120.172 120.570 0.006 0.000 2.264 78 I HA 0.033 4.203 4.170 -0.001 0.000 0.248 78 I C 2.252 178.303 176.117 -0.109 0.000 1.111 78 I CA 1.533 62.784 61.300 -0.082 0.000 1.382 78 I CB -0.437 37.431 38.000 -0.220 0.000 1.060 78 I HN 0.382 nan 8.210 nan 0.000 0.418 79 F N 0.833 120.848 119.950 0.108 0.000 2.171 79 F HA -0.175 4.351 4.527 -0.001 0.000 0.300 79 F C 2.356 178.212 175.800 0.093 0.000 1.090 79 F CA 1.567 59.627 58.000 0.099 0.000 1.293 79 F CB -0.956 38.093 39.000 0.081 0.000 1.013 79 F HN 0.124 nan 8.300 nan 0.000 0.486 80 D N 0.189 120.735 120.400 0.243 0.000 2.144 80 D HA -0.118 4.521 4.640 -0.001 0.000 0.200 80 D C 2.122 178.513 176.300 0.151 0.000 0.978 80 D CA 1.030 55.136 54.000 0.177 0.000 0.833 80 D CB -0.273 40.608 40.800 0.136 0.000 0.961 80 D HN 0.254 nan 8.370 nan 0.000 0.470 81 K N 0.276 120.749 120.400 0.122 0.000 2.097 81 K HA -0.051 4.269 4.320 -0.001 0.000 0.206 81 K C 2.278 178.932 176.600 0.090 0.000 1.049 81 K CA 0.563 56.908 56.287 0.097 0.000 0.933 81 K CB -0.072 32.480 32.500 0.086 0.000 0.717 81 K HN 0.161 nan 8.250 nan 0.000 0.442 82 L N 0.973 122.260 121.223 0.106 0.000 2.093 82 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 82 L C 1.848 178.772 176.870 0.089 0.000 1.085 82 L CA 0.993 55.891 54.840 0.098 0.000 0.755 82 L CB -0.445 41.701 42.059 0.146 0.000 0.904 82 L HN 0.169 nan 8.230 nan 0.000 0.435 83 D N 0.210 120.692 120.400 0.136 0.000 2.117 83 D HA -0.182 4.457 4.640 -0.001 0.000 0.197 83 D C 1.755 178.138 176.300 0.138 0.000 0.987 83 D CA 1.280 55.368 54.000 0.147 0.000 0.829 83 D CB -0.157 40.760 40.800 0.196 0.000 0.961 83 D HN 0.285 nan 8.370 nan 0.000 0.460 84 D N -0.421 120.071 120.400 0.152 0.000 2.178 84 D HA -0.071 4.569 4.640 -0.001 0.000 0.202 84 D C 2.095 178.382 176.300 -0.021 0.000 0.974 84 D CA 0.379 54.449 54.000 0.116 0.000 0.841 84 D CB -0.458 40.435 40.800 0.155 0.000 0.953 84 D HN 0.218 nan 8.370 nan 0.000 0.478 85 C N 0.922 120.212 119.300 -0.017 0.000 2.432 85 C HA 0.061 4.520 4.460 -0.001 0.000 0.280 85 C C 2.793 177.726 174.990 -0.095 0.000 1.353 85 C CA 0.528 59.506 59.018 -0.066 0.000 1.766 85 C CB -0.930 26.778 27.740 -0.053 0.000 1.924 85 C HN 0.345 nan 8.230 nan 0.000 0.509 86 A N 0.187 122.960 122.820 -0.078 0.000 1.969 86 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 86 A C 2.224 179.731 177.584 -0.129 0.000 1.169 86 A CA 1.741 53.715 52.037 -0.104 0.000 0.635 86 A CB -0.474 18.482 19.000 -0.072 0.000 0.810 86 A HN 0.379 nan 8.150 nan 0.000 0.445 87 V N 0.224 120.038 119.914 -0.167 0.000 2.379 87 V HA -0.235 3.884 4.120 -0.001 0.000 0.245 87 V C 2.390 178.383 176.094 -0.169 0.000 1.044 87 V CA 1.861 64.029 62.300 -0.219 0.000 1.036 87 V CB -0.661 30.906 31.823 -0.427 0.000 0.664 87 V HN 0.579 nan 8.190 nan 0.000 0.453 88 I N 0.158 120.623 120.570 -0.175 0.000 2.163 88 I HA -0.316 3.854 4.170 -0.001 0.000 0.243 88 I C 2.668 178.717 176.117 -0.114 0.000 1.085 88 I CA 1.996 63.201 61.300 -0.158 0.000 1.347 88 I CB -0.437 37.471 38.000 -0.154 0.000 1.044 88 I HN 0.364 nan 8.210 nan 0.000 0.408 89 Q N 1.208 120.938 119.800 -0.117 0.000 2.046 89 Q HA -0.266 4.073 4.340 -0.001 0.000 0.200 89 Q C 2.156 178.103 176.000 -0.088 0.000 0.975 89 Q CA 1.829 57.566 55.803 -0.111 0.000 0.836 89 Q CB -0.451 28.198 28.738 -0.149 0.000 0.896 89 Q HN 0.465 nan 8.270 nan 0.000 0.428 90 Q N -0.612 119.135 119.800 -0.088 0.000 2.096 90 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 90 Q C 1.955 177.953 176.000 -0.004 0.000 0.982 90 Q CA 1.761 57.538 55.803 -0.043 0.000 0.850 90 Q CB -0.057 28.667 28.738 -0.023 0.000 0.901 90 Q HN 0.532 nan 8.270 nan 0.000 0.422 91 L N -0.662 120.547 121.223 -0.022 0.000 2.162 91 L HA -0.050 4.290 4.340 -0.001 0.000 0.205 91 L C 2.591 179.456 176.870 -0.008 0.000 1.086 91 L CA 1.456 56.292 54.840 -0.007 0.000 0.778 91 L CB -0.355 41.696 42.059 -0.015 0.000 0.928 91 L HN 0.347 nan 8.230 nan 0.000 0.446 92 T N -4.740 109.801 114.554 -0.021 0.000 3.044 92 T HA 0.037 4.387 4.350 -0.001 0.000 0.255 92 T C 1.176 175.892 174.700 0.028 0.000 1.073 92 T CA -0.277 61.821 62.100 -0.003 0.000 1.125 92 T CB 0.184 69.043 68.868 -0.015 0.000 0.908 92 T HN 0.117 nan 8.240 nan 0.000 0.480 93 R N 0.309 120.817 120.500 0.014 0.000 3.953 93 R HA -0.157 4.182 4.340 -0.001 0.000 0.340 93 R C 0.905 177.282 176.300 0.128 0.000 1.195 93 R CA 0.899 57.022 56.100 0.037 0.000 0.929 93 R CB -2.398 27.942 30.300 0.067 0.000 1.402 93 R HN 0.710 nan 8.270 nan 0.000 0.540 94 A N -0.166 122.723 122.820 0.115 0.000 2.431 94 A HA 0.169 4.489 4.320 -0.001 0.000 0.239 94 A C 0.914 178.588 177.584 0.150 0.000 1.230 94 A CA 0.856 53.035 52.037 0.237 0.000 0.928 94 A CB 0.434 19.534 19.000 0.166 0.000 1.006 94 A HN 0.298 nan 8.150 nan 0.000 0.520 95 T N -2.595 111.956 114.554 -0.005 0.000 3.630 95 T HA 0.334 4.683 4.350 -0.001 0.000 0.238 95 T C -1.869 172.728 174.700 -0.172 0.000 1.195 95 T CA -0.999 61.061 62.100 -0.067 0.000 1.433 95 T CB 0.858 69.690 68.868 -0.061 0.000 0.940 95 T HN 0.104 nan 8.240 nan 0.000 0.641 96 P HA 0.018 nan 4.420 nan 0.000 0.226 96 P C -0.211 176.910 177.300 -0.298 0.000 1.153 96 P CA 0.493 63.375 63.100 -0.363 0.000 0.777 96 P CB 0.229 31.567 31.700 -0.605 0.000 0.794 97 N N -0.358 118.204 118.700 -0.230 0.000 2.319 97 N HA 0.330 5.070 4.740 -0.001 0.000 0.305 97 N C -0.917 174.515 175.510 -0.130 0.000 1.103 97 N CA -0.605 52.326 53.050 -0.198 0.000 0.815 97 N CB 2.825 41.233 38.487 -0.132 0.000 1.288 97 N HN -0.255 nan 8.380 nan 0.000 0.493 98 V N 0.497 120.337 119.914 -0.122 0.000 2.513 98 V HA 0.348 4.467 4.120 -0.001 0.000 0.299 98 V C 0.262 176.448 176.094 0.154 0.000 1.035 98 V CA -0.711 61.588 62.300 -0.002 0.000 0.889 98 V CB 1.816 33.649 31.823 0.017 0.000 0.988 98 V HN 0.635 nan 8.190 nan 0.000 0.440 99 S N 4.171 119.952 115.700 0.135 0.000 2.438 99 S HA 0.631 5.100 4.470 -0.001 0.000 0.293 99 S C -0.614 174.222 174.600 0.393 0.000 1.141 99 S CA -0.462 57.890 58.200 0.254 0.000 1.080 99 S CB 0.215 63.562 63.200 0.246 0.000 0.978 99 S HN 0.440 nan 8.310 nan 0.000 0.479 100 L N 4.892 126.343 121.223 0.379 0.000 2.379 100 L HA 0.519 4.858 4.340 -0.001 0.000 0.269 100 L C 0.323 177.440 176.870 0.412 0.000 1.084 100 L CA -0.092 54.972 54.840 0.374 0.000 0.802 100 L CB 1.105 43.265 42.059 0.169 0.000 1.175 100 L HN 0.660 nan 8.230 nan 0.000 0.448 101 H N 2.660 121.945 119.070 0.358 0.000 2.609 101 H HA 0.495 5.051 4.556 -0.001 0.000 0.344 101 H C -1.243 174.144 175.328 0.099 0.000 1.040 101 H CA -0.564 55.593 56.048 0.182 0.000 1.216 101 H CB 1.611 31.497 29.762 0.206 0.000 1.529 101 H HN 0.292 nan 8.280 nan 0.000 0.519 102 I N 7.155 127.783 120.570 0.096 0.000 2.493 102 I HA 0.231 4.401 4.170 -0.001 0.000 0.298 102 I C -1.511 174.657 176.117 0.084 0.000 0.998 102 I CA -2.583 58.776 61.300 0.098 0.000 1.137 102 I CB 2.030 40.045 38.000 0.024 0.000 1.310 102 I HN 0.442 nan 8.210 nan 0.000 0.445 103 P HA -0.054 nan 4.420 nan 0.000 0.249 103 P C 0.983 178.406 177.300 0.205 0.000 1.229 103 P CA 0.487 63.649 63.100 0.103 0.000 0.788 103 P CB 0.127 31.876 31.700 0.082 0.000 1.072 104 W N 1.912 123.284 121.300 0.120 0.000 2.321 104 W HA -0.109 4.550 4.660 -0.001 0.000 0.306 104 W C 1.018 177.593 176.519 0.092 0.000 1.217 104 W CA 1.163 58.565 57.345 0.095 0.000 1.257 104 W CB -1.574 27.946 29.460 0.099 0.000 1.145 104 W HN 0.116 nan 8.180 nan 0.000 0.509 105 D N -0.241 120.364 120.400 0.342 0.000 2.395 105 D HA 0.021 4.661 4.640 -0.001 0.000 0.226 105 D C 0.298 176.641 176.300 0.072 0.000 1.146 105 D CA 0.060 54.167 54.000 0.177 0.000 0.830 105 D CB -0.280 40.629 40.800 0.181 0.000 0.958 105 D HN 0.050 nan 8.370 nan 0.000 0.501 106 K N 1.264 121.723 120.400 0.099 0.000 2.472 106 K HA 0.271 4.591 4.320 -0.001 0.000 0.280 106 K C -0.410 176.213 176.600 0.037 0.000 1.028 106 K CA 0.121 56.442 56.287 0.058 0.000 1.045 106 K CB 0.320 32.866 32.500 0.077 0.000 0.902 106 K HN 0.101 nan 8.250 nan 0.000 0.478 107 A N 3.614 126.445 122.820 0.018 0.000 2.522 107 A HA 0.156 4.475 4.320 -0.001 0.000 0.291 107 A C -1.668 175.955 177.584 0.064 0.000 1.039 107 A CA -0.918 51.154 52.037 0.058 0.000 0.643 107 A CB 0.571 19.570 19.000 -0.002 0.000 1.310 107 A HN 0.780 nan 8.150 nan 0.000 0.436 108 D N 1.115 121.594 120.400 0.131 0.000 2.426 108 D HA 0.292 4.931 4.640 -0.001 0.000 0.261 108 D C -1.420 174.932 176.300 0.085 0.000 1.245 108 D CA -0.664 53.399 54.000 0.104 0.000 0.917 108 D CB 0.765 41.639 40.800 0.122 0.000 1.123 108 D HN 0.122 nan 8.370 nan 0.000 0.508 109 P HA -0.221 nan 4.420 nan 0.000 0.216 109 P C 0.889 178.202 177.300 0.022 0.000 1.154 109 P CA 1.653 64.739 63.100 -0.023 0.000 0.865 109 P CB 0.149 31.829 31.700 -0.034 0.000 0.789 110 K N -0.243 120.187 120.400 0.049 0.000 2.074 110 K HA -0.195 4.125 4.320 -0.001 0.000 0.209 110 K C 2.070 178.733 176.600 0.106 0.000 1.048 110 K CA 1.509 57.835 56.287 0.066 0.000 0.926 110 K CB -0.414 32.117 32.500 0.052 0.000 0.713 110 K HN 0.317 nan 8.250 nan 0.000 0.444 111 E N 0.784 121.073 120.200 0.149 0.000 2.107 111 E HA -0.089 4.260 4.350 -0.001 0.000 0.191 111 E C 2.126 178.938 176.600 0.354 0.000 0.982 111 E CA 0.554 57.085 56.400 0.218 0.000 0.809 111 E CB -0.023 29.826 29.700 0.249 0.000 0.756 111 E HN 0.220 nan 8.360 nan 0.000 0.459 112 L N 1.048 122.450 121.223 0.298 0.000 1.989 112 L HA -0.239 4.101 4.340 -0.001 0.000 0.211 112 L C 2.587 179.653 176.870 0.326 0.000 1.071 112 L CA 1.226 56.203 54.840 0.229 0.000 0.749 112 L CB -0.453 41.542 42.059 -0.106 0.000 0.890 112 L HN 0.042 nan 8.230 nan 0.000 0.431 113 K N 0.645 121.180 120.400 0.225 0.000 2.032 113 K HA -0.176 4.144 4.320 -0.001 0.000 0.209 113 K C 2.006 178.749 176.600 0.240 0.000 1.048 113 K CA 1.811 58.282 56.287 0.307 0.000 0.927 113 K CB -0.525 32.079 32.500 0.174 0.000 0.712 113 K HN 0.248 nan 8.250 nan 0.000 0.441 114 A N 0.566 123.495 122.820 0.181 0.000 1.908 114 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 114 A C 2.242 179.908 177.584 0.137 0.000 1.181 114 A CA 2.058 54.172 52.037 0.130 0.000 0.627 114 A CB -0.624 18.436 19.000 0.099 0.000 0.818 114 A HN 0.334 nan 8.150 nan 0.000 0.445 115 R N -0.144 120.482 120.500 0.211 0.000 2.075 115 R HA -0.019 4.320 4.340 -0.001 0.000 0.232 115 R C 2.216 178.604 176.300 0.147 0.000 1.126 115 R CA 1.783 58.008 56.100 0.207 0.000 0.963 115 R CB -1.379 29.149 30.300 0.379 0.000 0.858 115 R HN 0.404 nan 8.270 nan 0.000 0.435 116 G N 0.478 109.387 108.800 0.182 0.000 2.446 116 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.217 116 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.217 116 G C 1.006 175.871 174.900 -0.058 0.000 1.168 116 G CA 1.100 46.196 45.100 -0.007 0.000 0.771 116 G HN 0.353 nan 8.290 nan 0.000 0.551 117 D N 1.162 121.565 120.400 0.005 0.000 2.123 117 D HA -0.085 4.554 4.640 -0.001 0.000 0.196 117 D C 2.814 179.092 176.300 -0.037 0.000 0.992 117 D CA 1.304 55.291 54.000 -0.022 0.000 0.833 117 D CB -0.459 40.350 40.800 0.015 0.000 0.954 117 D HN 0.334 nan 8.370 nan 0.000 0.455 118 A N 0.609 123.423 122.820 -0.009 0.000 1.972 118 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 118 A C 2.270 179.818 177.584 -0.060 0.000 1.169 118 A CA 0.801 52.826 52.037 -0.021 0.000 0.635 118 A CB -0.550 18.456 19.000 0.010 0.000 0.810 118 A HN 0.211 nan 8.150 nan 0.000 0.446 119 L N -1.374 119.811 121.223 -0.063 0.000 2.592 119 L HA 0.220 4.559 4.340 -0.001 0.000 0.227 119 L C 1.499 178.270 176.870 -0.165 0.000 1.127 119 L CA 0.464 55.242 54.840 -0.103 0.000 0.884 119 L CB -0.080 41.943 42.059 -0.060 0.000 1.065 119 L HN 0.561 nan 8.230 nan 0.000 0.457 120 G N 0.983 109.686 108.800 -0.162 0.000 2.160 120 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.244 120 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.244 120 G C -0.130 174.639 174.900 -0.218 0.000 1.022 120 G CA -0.058 44.928 45.100 -0.189 0.000 0.741 120 G HN 0.226 nan 8.290 nan 0.000 0.508 121 L N -0.428 120.651 121.223 -0.240 0.000 2.342 121 L HA 0.839 5.179 4.340 -0.001 0.000 0.271 121 L C 0.965 177.558 176.870 -0.461 0.000 1.008 121 L CA -0.547 54.094 54.840 -0.332 0.000 0.818 121 L CB 2.031 43.888 42.059 -0.336 0.000 1.296 121 L HN 0.233 nan 8.230 nan 0.000 0.427 122 G N 0.300 108.802 108.800 -0.498 0.000 2.735 122 G HA2 0.730 4.689 3.960 -0.001 0.000 0.301 122 G HA3 0.730 4.689 3.960 -0.001 0.000 0.301 122 G C -1.634 172.842 174.900 -0.707 0.000 1.279 122 G CA -0.380 44.414 45.100 -0.509 0.000 1.019 122 G HN 0.238 nan 8.290 nan 0.000 0.497 123 F N 0.136 120.060 119.950 -0.044 0.000 2.493 123 F HA 0.383 4.910 4.527 -0.001 0.000 0.329 123 F C 0.408 176.179 175.800 -0.048 0.000 1.126 123 F CA -0.927 57.056 58.000 -0.030 0.000 0.937 123 F CB 2.168 41.161 39.000 -0.011 0.000 1.146 123 F HN 0.370 nan 8.300 nan 0.000 0.442 124 D N 1.165 121.651 120.400 0.144 0.000 2.475 124 D HA 0.531 5.171 4.640 -0.001 0.000 0.286 124 D C -0.089 176.246 176.300 0.058 0.000 1.205 124 D CA -0.314 53.729 54.000 0.070 0.000 1.092 124 D CB 1.418 42.268 40.800 0.084 0.000 1.147 124 D HN 0.616 nan 8.370 nan 0.000 0.575 125 A N 0.635 123.493 122.820 0.063 0.000 2.561 125 A HA 0.117 4.436 4.320 -0.001 0.000 0.234 125 A C 0.582 178.223 177.584 0.095 0.000 1.055 125 A CA 0.215 52.274 52.037 0.037 0.000 0.756 125 A CB 0.038 19.152 19.000 0.190 0.000 0.986 125 A HN 0.415 nan 8.150 nan 0.000 0.505 126 M N 2.086 121.711 119.600 0.041 0.000 2.255 126 M HA 0.214 4.693 4.480 -0.001 0.000 0.336 126 M C 0.041 176.379 176.300 0.063 0.000 1.135 126 M CA 0.124 55.472 55.300 0.081 0.000 1.145 126 M CB 0.302 32.972 32.600 0.116 0.000 1.473 126 M HN 0.670 nan 8.290 nan 0.000 0.462 127 N N 0.990 119.663 118.700 -0.045 0.000 2.399 127 N HA 0.294 5.033 4.740 -0.001 0.000 0.284 127 N C -0.838 174.414 175.510 -0.429 0.000 1.025 127 N CA -0.205 52.691 53.050 -0.255 0.000 0.885 127 N CB 1.811 39.996 38.487 -0.503 0.000 1.339 127 N HN 0.637 nan 8.380 nan 0.000 0.487 128 S N 1.618 117.197 115.700 -0.203 0.000 2.632 128 S HA 0.337 4.807 4.470 -0.001 0.000 0.267 128 S C 0.014 174.595 174.600 -0.032 0.000 1.276 128 S CA -0.670 57.515 58.200 -0.026 0.000 0.998 128 S CB 1.528 64.767 63.200 0.064 0.000 0.953 128 S HN 0.560 nan 8.310 nan 0.000 0.547 129 N N 0.645 119.355 118.700 0.016 0.000 2.609 129 N HA 0.245 4.984 4.740 -0.001 0.000 0.268 129 N C -0.636 174.420 175.510 -0.757 0.000 1.106 129 N CA -0.364 52.394 53.050 -0.486 0.000 0.823 129 N CB 1.323 39.376 38.487 -0.725 0.000 1.263 129 N HN 0.851 nan 8.380 nan 0.000 0.533 130 T N -0.021 114.149 114.554 -0.641 0.000 3.380 130 T HA 0.213 4.562 4.350 -0.001 0.000 0.289 130 T C 0.510 174.835 174.700 -0.625 0.000 1.012 130 T CA -0.475 61.092 62.100 -0.888 0.000 0.944 130 T CB -1.201 67.023 68.868 -1.074 0.000 1.172 130 T HN 0.268 nan 8.240 nan 0.000 0.502 131 F N 0.594 120.370 119.950 -0.291 0.000 2.661 131 F HA 0.651 5.177 4.527 -0.001 0.000 0.306 131 F C 0.171 175.962 175.800 -0.016 0.000 1.094 131 F CA -1.017 56.866 58.000 -0.195 0.000 1.254 131 F CB -0.164 38.681 39.000 -0.259 0.000 1.040 131 F HN 0.298 nan 8.300 nan 0.000 0.562 132 S N -1.216 114.362 115.700 -0.202 0.000 2.570 132 S HA 0.472 4.941 4.470 -0.001 0.000 0.270 132 S C -1.679 172.917 174.600 -0.007 0.000 1.149 132 S CA -0.970 57.206 58.200 -0.041 0.000 0.837 132 S CB 2.004 65.170 63.200 -0.056 0.000 1.124 132 S HN 0.012 nan 8.310 nan 0.000 0.465 133 D N 1.273 121.672 120.400 -0.001 0.000 2.210 133 D HA 0.691 5.330 4.640 -0.001 0.000 0.249 133 D C 0.133 176.399 176.300 -0.056 0.000 1.078 133 D CA 0.018 53.977 54.000 -0.068 0.000 0.875 133 D CB 1.678 42.417 40.800 -0.102 0.000 1.175 133 D HN 0.856 nan 8.370 nan 0.000 0.440 134 A N 2.616 125.387 122.820 -0.081 0.000 2.281 134 A HA 0.652 4.971 4.320 -0.001 0.000 0.329 134 A C -2.383 175.176 177.584 -0.042 0.000 1.122 134 A CA -1.446 50.566 52.037 -0.042 0.000 0.850 134 A CB 0.285 19.259 19.000 -0.043 0.000 1.207 134 A HN 0.329 nan 8.150 nan 0.000 0.495 135 P HA 0.286 nan 4.420 nan 0.000 0.264 135 P C 0.911 178.192 177.300 -0.032 0.000 1.193 135 P CA 1.899 64.989 63.100 -0.016 0.000 0.763 135 P CB 0.592 32.295 31.700 0.005 0.000 0.810 136 G N 1.831 110.604 108.800 -0.046 0.000 2.184 136 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.264 136 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.264 136 G C 0.312 175.160 174.900 -0.087 0.000 0.975 136 G CA -0.010 45.056 45.100 -0.057 0.000 0.642 136 G HN 0.669 nan 8.290 nan 0.000 0.536 137 Q N 0.189 119.925 119.800 -0.107 0.000 2.300 137 Q HA 0.541 4.880 4.340 -0.001 0.000 0.280 137 Q C 1.749 177.625 176.000 -0.206 0.000 1.033 137 Q CA 0.665 56.374 55.803 -0.157 0.000 0.903 137 Q CB 0.705 29.320 28.738 -0.204 0.000 1.195 137 Q HN 0.705 nan 8.270 nan 0.000 0.386 138 A N 5.305 127.976 122.820 -0.248 0.000 1.873 138 A HA -0.078 4.241 4.320 -0.001 0.000 0.215 138 A C 0.273 177.513 177.584 -0.573 0.000 1.186 138 A CA 1.030 52.824 52.037 -0.405 0.000 0.616 138 A CB -0.072 18.646 19.000 -0.471 0.000 0.823 138 A HN 0.821 nan 8.150 nan 0.000 0.442 139 H N -0.567 118.363 119.070 -0.233 0.000 2.489 139 H HA 0.427 4.982 4.556 -0.001 0.000 0.343 139 H C -0.598 174.470 175.328 -0.433 0.000 1.086 139 H CA -0.461 55.423 56.048 -0.274 0.000 1.198 139 H CB 1.495 31.098 29.762 -0.265 0.000 1.490 139 H HN 0.262 nan 8.280 nan 0.000 0.504 140 S N 1.813 117.398 115.700 -0.193 0.000 2.580 140 S HA 0.066 4.536 4.470 -0.001 0.000 0.274 140 S C 0.154 174.648 174.600 -0.177 0.000 1.329 140 S CA -0.401 57.657 58.200 -0.236 0.000 1.036 140 S CB 0.232 63.372 63.200 -0.100 0.000 0.919 140 S HN 0.441 nan 8.310 nan 0.000 0.515 141 Y N 2.881 123.173 120.300 -0.013 0.000 2.470 141 Y HA 0.280 4.829 4.550 -0.001 0.000 0.284 141 Y C 1.830 177.735 175.900 0.009 0.000 1.188 141 Y CA -0.427 57.687 58.100 0.022 0.000 1.269 141 Y CB -0.491 37.944 38.460 -0.042 0.000 1.094 141 Y HN 0.735 nan 8.280 nan 0.000 0.518 142 K N 0.025 120.443 120.400 0.029 0.000 2.089 142 K HA -0.228 4.091 4.320 -0.001 0.000 0.210 142 K C 0.253 176.696 176.600 -0.263 0.000 1.048 142 K CA 1.920 58.082 56.287 -0.208 0.000 0.926 142 K CB -0.188 32.024 32.500 -0.481 0.000 0.714 142 K HN 0.304 nan 8.250 nan 0.000 0.448 143 Y N -0.163 120.235 120.300 0.164 0.000 2.625 143 Y HA 0.349 4.898 4.550 -0.001 0.000 0.285 143 Y C 0.595 176.477 175.900 -0.030 0.000 1.168 143 Y CA 0.124 58.234 58.100 0.016 0.000 1.250 143 Y CB 0.962 39.349 38.460 -0.122 0.000 1.130 143 Y HN 0.313 nan 8.280 nan 0.000 0.526 144 G N -0.615 108.332 108.800 0.245 0.000 2.371 144 G HA2 0.187 4.146 3.960 -0.001 0.000 0.663 144 G HA3 0.187 4.146 3.960 -0.001 0.000 0.663 144 G C 0.043 175.148 174.900 0.342 0.000 1.311 144 G CA -0.236 44.988 45.100 0.206 0.000 0.985 144 G HN 0.307 nan 8.290 nan 0.000 0.566 145 S N -1.201 114.585 115.700 0.142 0.000 3.799 145 S HA 0.345 4.815 4.470 -0.001 0.000 0.170 145 S C 2.056 176.687 174.600 0.050 0.000 0.840 145 S CA 0.621 58.824 58.200 0.004 0.000 1.025 145 S CB -0.251 62.617 63.200 -0.554 0.000 1.455 145 S HN 0.910 nan 8.310 nan 0.000 0.804 146 L N 2.808 124.019 121.223 -0.020 0.000 2.275 146 L HA 0.079 4.419 4.340 -0.001 0.000 0.215 146 L C 2.145 179.065 176.870 0.083 0.000 1.119 146 L CA 1.439 56.278 54.840 -0.001 0.000 0.790 146 L CB -0.473 41.543 42.059 -0.072 0.000 0.919 146 L HN 0.701 nan 8.230 nan 0.000 0.443 147 S N -3.177 112.617 115.700 0.156 0.000 2.593 147 S HA 0.053 4.522 4.470 -0.001 0.000 0.236 147 S C 0.672 175.365 174.600 0.156 0.000 0.991 147 S CA -0.613 57.691 58.200 0.173 0.000 0.963 147 S CB -0.307 63.020 63.200 0.212 0.000 0.865 147 S HN 0.297 nan 8.310 nan 0.000 0.488 148 H N 2.866 121.984 119.070 0.081 0.000 2.948 148 H HA 0.057 4.612 4.556 -0.001 0.000 0.351 148 H C 1.601 176.963 175.328 0.056 0.000 1.079 148 H CA 1.688 57.790 56.048 0.090 0.000 1.407 148 H CB 1.449 31.278 29.762 0.111 0.000 1.373 148 H HN 0.451 nan 8.280 nan 0.000 0.605 149 T N 1.001 115.605 114.554 0.084 0.000 2.962 149 T HA -0.160 4.189 4.350 -0.001 0.000 0.270 149 T C 0.911 175.732 174.700 0.200 0.000 1.088 149 T CA 0.661 62.825 62.100 0.106 0.000 1.127 149 T CB -0.068 68.795 68.868 -0.008 0.000 0.883 149 T HN 0.428 nan 8.240 nan 0.000 0.493 150 N N 0.951 119.913 118.700 0.438 0.000 2.414 150 N HA 0.558 5.298 4.740 -0.001 0.000 0.256 150 N C 1.107 176.606 175.510 -0.019 0.000 1.029 150 N CA 0.271 53.392 53.050 0.118 0.000 0.948 150 N CB 1.128 39.603 38.487 -0.020 0.000 1.102 150 N HN 0.181 nan 8.380 nan 0.000 0.496 151 A N 4.065 126.863 122.820 -0.036 0.000 1.892 151 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 151 A C 2.105 179.618 177.584 -0.118 0.000 1.188 151 A CA 2.096 54.100 52.037 -0.055 0.000 0.631 151 A CB -1.260 17.716 19.000 -0.041 0.000 0.822 151 A HN 0.783 nan 8.150 nan 0.000 0.447 152 A N -1.250 121.446 122.820 -0.206 0.000 1.940 152 A HA -0.097 4.222 4.320 -0.001 0.000 0.219 152 A C 2.290 179.630 177.584 -0.407 0.000 1.176 152 A CA 2.347 54.200 52.037 -0.306 0.000 0.631 152 A CB -1.190 17.546 19.000 -0.440 0.000 0.814 152 A HN 0.467 nan 8.150 nan 0.000 0.446 153 T N -0.440 113.815 114.554 -0.499 0.000 2.812 153 T HA -0.096 4.253 4.350 -0.001 0.000 0.264 153 T C 2.051 176.716 174.700 -0.059 0.000 1.042 153 T CA 1.329 63.220 62.100 -0.348 0.000 1.140 153 T CB -0.208 68.292 68.868 -0.614 0.000 0.870 153 T HN 0.519 nan 8.240 nan 0.000 0.445 154 R N 1.160 121.632 120.500 -0.047 0.000 2.081 154 R HA 0.037 4.377 4.340 -0.001 0.000 0.235 154 R C 2.845 179.145 176.300 -0.002 0.000 1.131 154 R CA 1.299 57.406 56.100 0.011 0.000 0.960 154 R CB -0.539 29.767 30.300 0.011 0.000 0.856 154 R HN 0.358 nan 8.270 nan 0.000 0.436 155 A N 1.231 124.036 122.820 -0.025 0.000 1.902 155 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 155 A C 2.136 179.732 177.584 0.020 0.000 1.181 155 A CA 1.469 53.497 52.037 -0.015 0.000 0.623 155 A CB -0.530 18.454 19.000 -0.027 0.000 0.818 155 A HN 0.404 nan 8.150 nan 0.000 0.443 156 Q N -0.566 119.263 119.800 0.048 0.000 2.119 156 Q HA -0.106 4.234 4.340 -0.001 0.000 0.201 156 Q C 2.142 178.238 176.000 0.160 0.000 0.972 156 Q CA 1.477 57.345 55.803 0.108 0.000 0.847 156 Q CB -0.320 28.503 28.738 0.142 0.000 0.903 156 Q HN 0.598 nan 8.270 nan 0.000 0.433 157 A N 0.022 122.940 122.820 0.164 0.000 1.898 157 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 157 A C 2.209 179.825 177.584 0.053 0.000 1.181 157 A CA 1.355 53.448 52.037 0.093 0.000 0.620 157 A CB -0.706 18.265 19.000 -0.047 0.000 0.819 157 A HN 0.292 nan 8.150 nan 0.000 0.442 158 V N 0.174 120.096 119.914 0.014 0.000 2.287 158 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 158 V C 2.662 178.747 176.094 -0.014 0.000 1.053 158 V CA 2.497 64.784 62.300 -0.021 0.000 1.027 158 V CB -0.705 31.095 31.823 -0.038 0.000 0.646 158 V HN 0.696 nan 8.190 nan 0.000 0.447 159 E N -0.132 120.074 120.200 0.010 0.000 2.118 159 E HA -0.265 4.084 4.350 -0.001 0.000 0.195 159 E C 2.211 178.812 176.600 0.000 0.000 0.992 159 E CA 1.769 58.167 56.400 -0.002 0.000 0.804 159 E CB -0.537 29.172 29.700 0.016 0.000 0.741 159 E HN 0.766 nan 8.360 nan 0.000 0.458 160 H N 0.145 119.200 119.070 -0.026 0.000 2.353 160 H HA -0.075 4.481 4.556 -0.001 0.000 0.300 160 H C 1.656 176.946 175.328 -0.063 0.000 1.090 160 H CA 1.671 57.699 56.048 -0.034 0.000 1.327 160 H CB -0.011 29.742 29.762 -0.014 0.000 1.383 160 H HN 0.194 nan 8.280 nan 0.000 0.508 161 N N 0.679 119.278 118.700 -0.167 0.000 2.166 161 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 161 N C 2.335 177.712 175.510 -0.222 0.000 1.019 161 N CA 0.936 53.857 53.050 -0.215 0.000 0.856 161 N CB -0.007 38.429 38.487 -0.085 0.000 0.993 161 N HN 0.395 nan 8.380 nan 0.000 0.426 162 L N 1.121 122.238 121.223 -0.177 0.000 2.093 162 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 162 L C 2.442 179.189 176.870 -0.204 0.000 1.085 162 L CA 0.970 55.698 54.840 -0.187 0.000 0.755 162 L CB -0.367 41.606 42.059 -0.143 0.000 0.904 162 L HN 0.212 nan 8.230 nan 0.000 0.435 163 E N -0.202 119.878 120.200 -0.201 0.000 2.110 163 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 163 E C 2.335 178.812 176.600 -0.205 0.000 0.988 163 E CA 1.480 57.770 56.400 -0.183 0.000 0.804 163 E CB 0.023 29.627 29.700 -0.160 0.000 0.745 163 E HN 0.529 nan 8.360 nan 0.000 0.458 164 C N 0.348 119.479 119.300 -0.282 0.000 2.425 164 C HA -0.093 4.367 4.460 -0.001 0.000 0.277 164 C C 2.501 177.434 174.990 -0.096 0.000 1.280 164 C CA 0.373 59.269 59.018 -0.204 0.000 1.744 164 C CB -0.817 26.777 27.740 -0.244 0.000 1.989 164 C HN 0.495 nan 8.230 nan 0.000 0.491 165 I N 0.587 121.044 120.570 -0.189 0.000 2.252 165 I HA -0.155 4.014 4.170 -0.001 0.000 0.245 165 I C 2.590 178.518 176.117 -0.314 0.000 1.102 165 I CA 1.272 62.343 61.300 -0.382 0.000 1.385 165 I CB -0.536 37.104 38.000 -0.600 0.000 1.064 165 I HN 0.308 nan 8.210 nan 0.000 0.414 166 E N 0.911 120.977 120.200 -0.223 0.000 2.077 166 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 166 E C 2.275 178.831 176.600 -0.075 0.000 0.989 166 E CA 1.292 57.600 56.400 -0.154 0.000 0.800 166 E CB -0.230 29.394 29.700 -0.127 0.000 0.746 166 E HN 0.525 nan 8.360 nan 0.000 0.452 167 I N 0.512 121.047 120.570 -0.059 0.000 2.179 167 I HA -0.194 3.975 4.170 -0.001 0.000 0.242 167 I C 2.487 178.609 176.117 0.010 0.000 1.088 167 I CA 1.360 62.639 61.300 -0.036 0.000 1.357 167 I CB -0.613 37.355 38.000 -0.052 0.000 1.051 167 I HN 0.120 nan 8.210 nan 0.000 0.409 168 G N 0.851 109.722 108.800 0.118 0.000 2.422 168 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 168 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 168 G C 1.718 176.825 174.900 0.344 0.000 1.146 168 G CA 0.489 45.751 45.100 0.270 0.000 0.769 168 G HN 0.311 nan 8.290 nan 0.000 0.547 169 K N 0.576 121.172 120.400 0.327 0.000 2.147 169 K HA 0.002 4.322 4.320 -0.001 0.000 0.205 169 K C 2.839 179.517 176.600 0.130 0.000 1.049 169 K CA 0.985 57.424 56.287 0.253 0.000 0.936 169 K CB -0.171 32.349 32.500 0.033 0.000 0.722 169 K HN 0.302 nan 8.250 nan 0.000 0.446 170 A N 1.691 124.550 122.820 0.065 0.000 2.014 170 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 170 A C 1.966 179.570 177.584 0.034 0.000 1.163 170 A CA 0.936 52.992 52.037 0.033 0.000 0.652 170 A CB -0.467 18.534 19.000 0.001 0.000 0.808 170 A HN 0.448 nan 8.150 nan 0.000 0.449 171 I N -5.589 114.989 120.570 0.014 0.000 3.956 171 I HA 0.503 4.672 4.170 -0.001 0.000 0.333 171 I C 1.087 177.302 176.117 0.162 0.000 1.302 171 I CA 0.582 61.890 61.300 0.013 0.000 1.122 171 I CB 0.242 38.027 38.000 -0.358 0.000 1.013 171 I HN 0.310 nan 8.210 nan 0.000 0.405 172 G N 1.642 110.519 108.800 0.129 0.000 2.134 172 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.209 172 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.209 172 G C 0.223 175.153 174.900 0.050 0.000 0.993 172 G CA 0.233 45.402 45.100 0.115 0.000 0.669 172 G HN 0.539 nan 8.290 nan 0.000 0.519 173 S N -0.353 115.358 115.700 0.018 0.000 2.580 173 S HA 0.632 5.101 4.470 -0.001 0.000 0.274 173 S C 0.934 175.121 174.600 -0.688 0.000 1.329 173 S CA 0.004 58.073 58.200 -0.218 0.000 1.036 173 S CB 0.750 63.840 63.200 -0.183 0.000 0.919 173 S HN 0.191 nan 8.310 nan 0.000 0.515 174 K N 1.824 121.642 120.400 -0.971 0.000 2.592 174 K HA 0.489 4.809 4.320 -0.001 0.000 0.203 174 K C -0.496 175.232 176.600 -1.453 0.000 1.070 174 K CA -0.047 55.394 56.287 -1.410 0.000 1.062 174 K CB 0.651 32.807 32.500 -0.573 0.000 0.814 174 K HN 0.589 nan 8.250 nan 0.000 0.502 175 A N 0.659 122.584 122.820 -1.492 0.000 2.605 175 A HA 0.659 4.979 4.320 -0.001 0.000 0.294 175 A C -2.090 175.281 177.584 -0.355 0.000 1.062 175 A CA -0.742 50.855 52.037 -0.732 0.000 0.682 175 A CB 1.261 19.944 19.000 -0.528 0.000 1.278 175 A HN 0.107 nan 8.150 nan 0.000 0.410 176 L N 0.905 122.094 121.223 -0.057 0.000 2.376 176 L HA 0.771 5.110 4.340 -0.001 0.000 0.275 176 L C -0.511 176.396 176.870 0.062 0.000 0.987 176 L CA 0.278 55.182 54.840 0.106 0.000 0.828 176 L CB 2.082 44.262 42.059 0.203 0.000 1.249 176 L HN 0.656 nan 8.230 nan 0.000 0.409 177 T N 4.518 119.159 114.554 0.146 0.000 2.767 177 T HA 0.579 4.928 4.350 -0.001 0.000 0.284 177 T C -0.626 174.174 174.700 0.167 0.000 0.973 177 T CA -0.316 61.920 62.100 0.227 0.000 0.996 177 T CB 1.270 70.312 68.868 0.290 0.000 0.927 177 T HN 0.354 nan 8.240 nan 0.000 0.456 178 V N 4.457 124.483 119.914 0.188 0.000 2.350 178 V HA 0.449 4.568 4.120 -0.001 0.000 0.285 178 V C -0.930 175.307 176.094 0.239 0.000 1.014 178 V CA -0.970 61.431 62.300 0.167 0.000 0.831 178 V CB 0.851 32.745 31.823 0.118 0.000 1.000 178 V HN 0.913 nan 8.190 nan 0.000 0.433 179 W N 8.426 129.781 121.300 0.092 0.000 2.619 179 W HA 0.807 5.467 4.660 -0.001 0.000 0.327 179 W C -0.781 175.796 176.519 0.097 0.000 1.027 179 W CA -0.906 56.484 57.345 0.075 0.000 1.233 179 W CB 1.298 30.783 29.460 0.042 0.000 1.370 179 W HN 0.602 nan 8.180 nan 0.000 0.453 180 I N 2.752 122.728 120.570 -0.990 0.000 3.002 180 I HA 0.827 4.996 4.170 -0.001 0.000 0.310 180 I C 0.778 176.123 176.117 -1.287 0.000 1.087 180 I CA -1.173 59.578 61.300 -0.916 0.000 1.017 180 I CB 2.150 39.939 38.000 -0.351 0.000 1.226 180 I HN 0.634 nan 8.210 nan 0.000 0.443 181 G N 1.119 109.416 108.800 -0.840 0.000 3.042 181 G HA2 0.057 4.017 3.960 -0.001 0.000 0.212 181 G HA3 0.057 4.017 3.960 -0.001 0.000 0.212 181 G C -0.020 174.710 174.900 -0.283 0.000 1.166 181 G CA -0.128 44.641 45.100 -0.551 0.000 0.767 181 G HN 0.731 nan 8.290 nan 0.000 0.546 182 D N 0.950 121.212 120.400 -0.230 0.000 2.752 182 D HA 0.394 5.033 4.640 -0.001 0.000 0.225 182 D C 0.928 177.176 176.300 -0.087 0.000 1.104 182 D CA 1.844 55.782 54.000 -0.102 0.000 0.832 182 D CB 0.725 41.496 40.800 -0.048 0.000 1.161 182 D HN 0.387 nan 8.370 nan 0.000 0.505 183 G N 0.143 108.928 108.800 -0.025 0.000 2.356 183 G HA2 0.521 4.480 3.960 -0.001 0.000 0.281 183 G HA3 0.521 4.480 3.960 -0.001 0.000 0.281 183 G C -1.391 173.554 174.900 0.076 0.000 1.246 183 G CA -0.207 44.896 45.100 0.006 0.000 0.889 183 G HN 0.749 nan 8.290 nan 0.000 0.486 184 S N -1.200 114.575 115.700 0.125 0.000 2.569 184 S HA 0.635 5.105 4.470 -0.001 0.000 0.280 184 S C -0.349 174.372 174.600 0.201 0.000 1.111 184 S CA -0.757 57.565 58.200 0.204 0.000 0.887 184 S CB 2.228 65.609 63.200 0.301 0.000 1.095 184 S HN 0.408 nan 8.310 nan 0.000 0.476 185 N N -0.320 118.459 118.700 0.132 0.000 2.254 185 N HA 0.406 5.146 4.740 -0.001 0.000 0.190 185 N C -1.385 173.830 175.510 -0.492 0.000 1.107 185 N CA 0.224 53.196 53.050 -0.131 0.000 0.869 185 N CB -0.029 38.286 38.487 -0.285 0.000 0.983 185 N HN 0.591 nan 8.380 nan 0.000 0.487 186 F N -0.160 119.863 119.950 0.123 0.000 2.578 186 F HA 0.454 4.980 4.527 -0.001 0.000 0.311 186 F C -2.303 173.283 175.800 -0.356 0.000 1.094 186 F CA -2.485 55.447 58.000 -0.114 0.000 0.923 186 F CB 1.867 40.830 39.000 -0.061 0.000 1.230 186 F HN -0.306 nan 8.300 nan 0.000 0.450 187 P HA 0.249 nan 4.420 nan 0.000 0.268 187 P C 0.660 177.848 177.300 -0.188 0.000 1.204 187 P CA 1.114 63.840 63.100 -0.624 0.000 0.768 187 P CB 0.828 32.211 31.700 -0.530 0.000 0.842 188 G N 2.283 110.996 108.800 -0.145 0.000 2.320 188 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.242 188 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.242 188 G C 1.314 176.165 174.900 -0.083 0.000 1.033 188 G CA 0.529 45.554 45.100 -0.125 0.000 0.620 188 G HN 0.562 nan 8.290 nan 0.000 0.517 189 Q N 0.689 120.485 119.800 -0.006 0.000 2.077 189 Q HA 0.019 4.358 4.340 -0.001 0.000 0.206 189 Q C 1.005 177.001 176.000 -0.006 0.000 0.989 189 Q CA 1.899 57.720 55.803 0.031 0.000 0.853 189 Q CB -0.116 28.724 28.738 0.170 0.000 0.907 189 Q HN 0.576 nan 8.270 nan 0.000 0.418 190 S N 0.505 116.204 115.700 -0.002 0.000 2.568 190 S HA 0.301 4.771 4.470 -0.001 0.000 0.302 190 S C -0.834 173.673 174.600 -0.155 0.000 1.082 190 S CA -0.917 57.268 58.200 -0.025 0.000 1.009 190 S CB 1.555 64.803 63.200 0.080 0.000 1.069 190 S HN 0.346 nan 8.310 nan 0.000 0.500 191 N N 1.711 120.350 118.700 -0.102 0.000 2.462 191 N HA 0.154 4.894 4.740 -0.001 0.000 0.242 191 N C 0.344 175.850 175.510 -0.007 0.000 1.010 191 N CA -0.339 52.627 53.050 -0.140 0.000 0.939 191 N CB 0.077 38.528 38.487 -0.060 0.000 1.127 191 N HN 0.376 nan 8.380 nan 0.000 0.509 192 F N 2.177 122.154 119.950 0.046 0.000 2.063 192 F HA -0.238 4.288 4.527 -0.001 0.000 0.298 192 F C 2.450 178.286 175.800 0.060 0.000 1.105 192 F CA 1.420 59.436 58.000 0.027 0.000 1.215 192 F CB -1.288 37.709 39.000 -0.004 0.000 0.972 192 F HN 0.422 nan 8.300 nan 0.000 0.483 193 T N -0.011 114.702 114.554 0.265 0.000 2.737 193 T HA -0.131 4.218 4.350 -0.001 0.000 0.265 193 T C 2.108 176.917 174.700 0.181 0.000 1.038 193 T CA 1.305 63.536 62.100 0.218 0.000 1.144 193 T CB -0.216 68.743 68.868 0.150 0.000 0.866 193 T HN 0.189 nan 8.240 nan 0.000 0.434 194 R N 0.994 121.564 120.500 0.117 0.000 2.096 194 R HA 0.059 4.399 4.340 -0.001 0.000 0.235 194 R C 2.804 179.168 176.300 0.107 0.000 1.127 194 R CA 1.207 57.356 56.100 0.082 0.000 0.968 194 R CB -0.474 29.852 30.300 0.042 0.000 0.861 194 R HN 0.358 nan 8.270 nan 0.000 0.440 195 A N 0.946 123.849 122.820 0.138 0.000 1.902 195 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 195 A C 1.904 179.629 177.584 0.236 0.000 1.181 195 A CA 1.027 53.157 52.037 0.156 0.000 0.623 195 A CB -0.555 18.535 19.000 0.150 0.000 0.818 195 A HN 0.307 nan 8.150 nan 0.000 0.443 196 F N 1.156 121.144 119.950 0.062 0.000 2.186 196 F HA -0.072 4.454 4.527 -0.001 0.000 0.299 196 F C 2.096 177.957 175.800 0.101 0.000 1.090 196 F CA 1.652 59.683 58.000 0.051 0.000 1.307 196 F CB -0.502 38.500 39.000 0.003 0.000 1.019 196 F HN 0.401 nan 8.300 nan 0.000 0.489 197 E N -0.163 120.054 120.200 0.028 0.000 2.077 197 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 197 E C 2.334 178.903 176.600 -0.051 0.000 0.989 197 E CA 1.231 57.576 56.400 -0.092 0.000 0.800 197 E CB -0.203 29.481 29.700 -0.027 0.000 0.746 197 E HN 0.414 nan 8.360 nan 0.000 0.452 198 R N -0.022 120.497 120.500 0.032 0.000 2.081 198 R HA -0.175 4.164 4.340 -0.001 0.000 0.235 198 R C 2.377 178.706 176.300 0.048 0.000 1.131 198 R CA 1.488 57.611 56.100 0.038 0.000 0.960 198 R CB -0.495 29.848 30.300 0.072 0.000 0.856 198 R HN 0.284 nan 8.270 nan 0.000 0.436 199 Y N 1.722 122.008 120.300 -0.024 0.000 2.145 199 Y HA -0.195 4.354 4.550 -0.001 0.000 0.286 199 Y C 1.987 177.832 175.900 -0.092 0.000 1.145 199 Y CA 1.476 59.565 58.100 -0.017 0.000 1.148 199 Y CB -0.303 38.207 38.460 0.084 0.000 0.981 199 Y HN -0.059 nan 8.280 nan 0.000 0.507 200 L N -0.844 120.346 121.223 -0.055 0.000 2.083 200 L HA -0.235 4.105 4.340 -0.001 0.000 0.209 200 L C 2.840 179.585 176.870 -0.209 0.000 1.083 200 L CA 1.643 56.357 54.840 -0.211 0.000 0.752 200 L CB -0.815 41.030 42.059 -0.356 0.000 0.899 200 L HN 0.258 nan 8.230 nan 0.000 0.433 201 S N -0.472 115.134 115.700 -0.157 0.000 2.368 201 S HA -0.154 4.315 4.470 -0.001 0.000 0.224 201 S C 2.109 176.631 174.600 -0.130 0.000 1.029 201 S CA 1.221 59.346 58.200 -0.124 0.000 0.988 201 S CB -0.049 63.100 63.200 -0.085 0.000 0.838 201 S HN 0.440 nan 8.310 nan 0.000 0.462 202 A N 1.760 124.489 122.820 -0.152 0.000 1.898 202 A HA 0.030 4.349 4.320 -0.001 0.000 0.216 202 A C 2.243 179.709 177.584 -0.198 0.000 1.181 202 A CA 1.485 53.429 52.037 -0.155 0.000 0.620 202 A CB -0.580 18.330 19.000 -0.151 0.000 0.819 202 A HN 0.531 nan 8.150 nan 0.000 0.442 203 M N -0.294 119.114 119.600 -0.320 0.000 2.213 203 M HA -0.115 4.365 4.480 -0.001 0.000 0.263 203 M C 2.421 178.646 176.300 -0.125 0.000 1.062 203 M CA 1.417 56.547 55.300 -0.283 0.000 1.105 203 M CB -1.356 30.982 32.600 -0.436 0.000 1.385 203 M HN 0.511 nan 8.290 nan 0.000 0.417 204 A N 0.020 122.762 122.820 -0.130 0.000 1.972 204 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 204 A C 2.064 179.640 177.584 -0.014 0.000 1.169 204 A CA 1.491 53.483 52.037 -0.076 0.000 0.635 204 A CB -0.546 18.389 19.000 -0.109 0.000 0.810 204 A HN 0.563 nan 8.150 nan 0.000 0.446 205 E N -0.316 119.854 120.200 -0.049 0.000 2.072 205 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 205 E C 1.861 178.439 176.600 -0.038 0.000 0.985 205 E CA 1.097 57.472 56.400 -0.041 0.000 0.801 205 E CB -0.254 29.411 29.700 -0.058 0.000 0.750 205 E HN 0.698 nan 8.360 nan 0.000 0.452 206 I N 0.324 120.866 120.570 -0.048 0.000 2.226 206 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 206 I C 2.387 178.481 176.117 -0.039 0.000 1.100 206 I CA 1.059 62.322 61.300 -0.061 0.000 1.374 206 I CB -0.265 37.692 38.000 -0.071 0.000 1.057 206 I HN 0.126 nan 8.210 nan 0.000 0.413 207 Y N 1.865 122.103 120.300 -0.104 0.000 2.207 207 Y HA -0.308 4.241 4.550 -0.001 0.000 0.287 207 Y C 2.603 178.451 175.900 -0.086 0.000 1.156 207 Y CA 1.831 59.880 58.100 -0.085 0.000 1.182 207 Y CB -0.157 38.259 38.460 -0.074 0.000 0.979 207 Y HN -0.008 nan 8.280 nan 0.000 0.521 208 K N -0.601 119.855 120.400 0.093 0.000 2.103 208 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 208 K C 1.897 178.444 176.600 -0.087 0.000 1.048 208 K CA 1.399 57.698 56.287 0.020 0.000 0.930 208 K CB -0.594 31.911 32.500 0.010 0.000 0.716 208 K HN 0.418 nan 8.250 nan 0.000 0.444 209 G N 0.551 109.278 108.800 -0.121 0.000 3.141 209 G HA2 0.053 4.013 3.960 -0.001 0.000 0.218 209 G HA3 0.053 4.013 3.960 -0.001 0.000 0.218 209 G C -0.114 174.628 174.900 -0.263 0.000 1.170 209 G CA -0.388 44.608 45.100 -0.174 0.000 0.769 209 G HN 0.152 nan 8.290 nan 0.000 0.546 210 L N 1.595 122.639 121.223 -0.299 0.000 2.319 210 L HA 0.460 4.799 4.340 -0.001 0.000 0.280 210 L C -2.129 174.522 176.870 -0.365 0.000 1.099 210 L CA -1.900 52.713 54.840 -0.378 0.000 0.828 210 L CB 1.103 42.912 42.059 -0.416 0.000 1.150 210 L HN -0.165 nan 8.230 nan 0.000 0.442 211 P HA 0.053 nan 4.420 nan 0.000 0.268 211 P C -0.470 176.746 177.300 -0.140 0.000 1.208 211 P CA -0.033 62.880 63.100 -0.312 0.000 0.777 211 P CB 0.526 31.933 31.700 -0.488 0.000 0.875 212 D N 0.425 120.776 120.400 -0.082 0.000 2.363 212 D HA -0.071 4.568 4.640 -0.001 0.000 0.226 212 D C 0.516 176.834 176.300 0.028 0.000 1.020 212 D CA 0.811 54.788 54.000 -0.037 0.000 0.892 212 D CB -0.168 40.613 40.800 -0.031 0.000 0.900 212 D HN 0.434 nan 8.370 nan 0.000 0.531 213 D N -1.736 118.727 120.400 0.104 0.000 2.501 213 D HA -0.016 4.624 4.640 -0.001 0.000 0.224 213 D C 0.033 176.461 176.300 0.212 0.000 1.202 213 D CA -0.441 53.641 54.000 0.136 0.000 0.829 213 D CB -0.460 40.419 40.800 0.132 0.000 1.023 213 D HN -0.013 nan 8.370 nan 0.000 0.499 214 W N 1.177 122.404 121.300 -0.122 0.000 2.736 214 W HA 0.530 5.189 4.660 -0.001 0.000 0.355 214 W C 0.310 176.702 176.519 -0.213 0.000 1.102 214 W CA -0.703 56.545 57.345 -0.162 0.000 1.164 214 W CB 1.465 30.816 29.460 -0.182 0.000 1.422 214 W HN -0.423 nan 8.180 nan 0.000 0.572 215 K N 1.305 121.636 120.400 -0.115 0.000 2.340 215 K HA 0.668 4.987 4.320 -0.001 0.000 0.244 215 K C -1.727 174.612 176.600 -0.435 0.000 0.973 215 K CA -1.320 54.782 56.287 -0.308 0.000 0.828 215 K CB 2.355 34.553 32.500 -0.503 0.000 1.226 215 K HN 0.245 nan 8.250 nan 0.000 0.437 216 L N 2.659 123.678 121.223 -0.340 0.000 2.343 216 L HA 0.474 4.813 4.340 -0.001 0.000 0.278 216 L C -1.732 175.083 176.870 -0.090 0.000 0.996 216 L CA -0.291 54.435 54.840 -0.190 0.000 0.831 216 L CB 0.538 42.608 42.059 0.019 0.000 1.232 216 L HN 0.358 nan 8.230 nan 0.000 0.413 217 F N 2.798 122.799 119.950 0.086 0.000 2.427 217 F HA 0.611 5.138 4.527 -0.001 0.000 0.346 217 F C 0.581 176.433 175.800 0.088 0.000 1.120 217 F CA -0.898 57.141 58.000 0.065 0.000 1.033 217 F CB 1.668 40.677 39.000 0.014 0.000 1.126 217 F HN 0.531 nan 8.300 nan 0.000 0.462 218 S N 1.500 117.387 115.700 0.312 0.000 2.475 218 S HA 0.557 5.026 4.470 -0.001 0.000 0.298 218 S C -0.686 174.043 174.600 0.214 0.000 1.119 218 S CA -0.898 57.462 58.200 0.268 0.000 1.085 218 S CB 1.971 65.350 63.200 0.300 0.000 1.028 218 S HN 0.692 nan 8.310 nan 0.000 0.489 219 E N 2.793 123.118 120.200 0.209 0.000 2.155 219 E HA 0.219 4.568 4.350 -0.001 0.000 0.264 219 E C -0.278 176.451 176.600 0.214 0.000 0.886 219 E CA -0.780 55.696 56.400 0.127 0.000 0.752 219 E CB 0.611 30.367 29.700 0.094 0.000 1.133 219 E HN 0.915 nan 8.360 nan 0.000 0.414 220 H N 3.243 122.410 119.070 0.161 0.000 2.547 220 H HA 0.512 5.067 4.556 -0.001 0.000 0.362 220 H C -0.866 174.555 175.328 0.154 0.000 1.181 220 H CA -0.724 55.394 56.048 0.115 0.000 1.376 220 H CB 1.380 31.176 29.762 0.057 0.000 1.488 220 H HN 0.421 nan 8.280 nan 0.000 0.583 221 K N 2.682 123.170 120.400 0.147 0.000 2.571 221 K HA 0.105 4.424 4.320 -0.001 0.000 0.252 221 K C 0.597 177.171 176.600 -0.044 0.000 0.956 221 K CA -0.599 55.651 56.287 -0.062 0.000 0.822 221 K CB 2.569 34.950 32.500 -0.198 0.000 1.286 221 K HN 0.706 nan 8.250 nan 0.000 0.439 222 M N 3.249 122.823 119.600 -0.044 0.000 2.117 222 M HA -0.102 4.377 4.480 -0.001 0.000 0.262 222 M C -0.427 175.954 176.300 0.135 0.000 1.065 222 M CA 1.694 57.035 55.300 0.068 0.000 1.114 222 M CB 0.122 32.844 32.600 0.203 0.000 1.361 222 M HN 0.618 nan 8.290 nan 0.000 0.408 223 Y N -2.547 117.713 120.300 -0.067 0.000 2.713 223 Y HA 0.515 5.064 4.550 -0.001 0.000 0.335 223 Y C -1.111 174.729 175.900 -0.100 0.000 1.222 223 Y CA -1.746 56.309 58.100 -0.075 0.000 1.061 223 Y CB 0.311 38.786 38.460 0.025 0.000 1.314 223 Y HN 0.304 nan 8.280 nan 0.000 0.453 224 E N 1.694 121.801 120.200 -0.156 0.000 7.504 224 E HA -0.113 4.237 4.350 -0.001 0.000 0.337 224 E C -2.387 174.119 176.600 -0.158 0.000 0.701 224 E CA 0.473 56.699 56.400 -0.291 0.000 1.302 224 E CB 0.200 29.833 29.700 -0.112 0.000 0.927 224 E HN 0.665 nan 8.360 nan 0.000 0.263 225 P HA -0.012 nan 4.420 nan 0.000 0.233 225 P C 0.197 177.013 177.300 -0.806 0.000 1.167 225 P CA 1.051 63.904 63.100 -0.412 0.000 0.770 225 P CB 0.208 31.827 31.700 -0.135 0.000 0.837 226 A N -0.158 122.341 122.820 -0.535 0.000 2.320 226 A HA 0.405 4.724 4.320 -0.001 0.000 0.287 226 A C -0.044 177.271 177.584 -0.449 0.000 1.181 226 A CA -0.365 51.428 52.037 -0.407 0.000 0.831 226 A CB -0.326 18.575 19.000 -0.165 0.000 1.102 226 A HN -0.035 nan 8.150 nan 0.000 0.513 227 F N 1.176 121.164 119.950 0.063 0.000 2.653 227 F HA 0.202 4.729 4.527 -0.001 0.000 0.304 227 F C 0.916 176.745 175.800 0.047 0.000 1.092 227 F CA 0.102 58.129 58.000 0.046 0.000 1.279 227 F CB -0.094 38.905 39.000 -0.002 0.000 1.044 227 F HN 0.805 nan 8.300 nan 0.000 0.564 228 Y N -0.140 120.202 120.300 0.070 0.000 2.846 228 Y HA 0.355 4.905 4.550 -0.001 0.000 0.258 228 Y C 0.544 176.484 175.900 0.067 0.000 1.077 228 Y CA 0.306 58.439 58.100 0.056 0.000 1.270 228 Y CB 0.228 38.716 38.460 0.047 0.000 1.476 228 Y HN -0.148 nan 8.280 nan 0.000 0.460 229 S N -0.128 115.450 115.700 -0.204 0.000 2.569 229 S HA 0.763 5.232 4.470 -0.001 0.000 0.280 229 S C -1.056 173.478 174.600 -0.111 0.000 1.111 229 S CA -0.389 57.646 58.200 -0.275 0.000 0.887 229 S CB 2.203 65.334 63.200 -0.116 0.000 1.095 229 S HN 0.114 nan 8.310 nan 0.000 0.476 230 T N 2.196 116.651 114.554 -0.165 0.000 2.881 230 T HA 0.406 4.756 4.350 -0.001 0.000 0.290 230 T C 1.192 175.777 174.700 -0.191 0.000 1.000 230 T CA -0.620 61.396 62.100 -0.140 0.000 0.978 230 T CB 1.615 70.410 68.868 -0.121 0.000 0.997 230 T HN 0.520 nan 8.240 nan 0.000 0.443 231 V N 2.859 122.668 119.914 -0.176 0.000 2.233 231 V HA -0.085 4.034 4.120 -0.001 0.000 0.247 231 V C 1.295 177.155 176.094 -0.390 0.000 1.050 231 V CA 1.488 63.641 62.300 -0.245 0.000 1.010 231 V CB -0.244 31.459 31.823 -0.201 0.000 0.637 231 V HN 0.723 nan 8.190 nan 0.000 0.444 232 V N 3.103 122.810 119.914 -0.346 0.000 2.184 232 V HA 0.132 4.252 4.120 -0.001 0.000 0.262 232 V C 1.293 177.307 176.094 -0.133 0.000 1.209 232 V CA -0.011 62.120 62.300 -0.282 0.000 1.070 232 V CB 0.535 32.233 31.823 -0.207 0.000 1.244 232 V HN 0.632 nan 8.190 nan 0.000 0.477 233 Q N 2.044 121.730 119.800 -0.190 0.000 2.269 233 Q HA -0.010 4.329 4.340 -0.001 0.000 0.201 233 Q C 0.146 176.123 176.000 -0.039 0.000 0.946 233 Q CA 1.442 57.175 55.803 -0.117 0.000 0.877 233 Q CB 0.455 29.076 28.738 -0.194 0.000 0.963 233 Q HN 0.779 nan 8.270 nan 0.000 0.472 234 D N -1.991 118.339 120.400 -0.116 0.000 2.664 234 D HA 0.040 4.679 4.640 -0.001 0.000 0.292 234 D C 0.826 176.848 176.300 -0.463 0.000 1.214 234 D CA -0.535 53.356 54.000 -0.181 0.000 0.932 234 D CB -0.870 39.854 40.800 -0.126 0.000 1.420 234 D HN 0.128 nan 8.370 nan 0.000 0.471 235 W N 0.601 121.425 121.300 -0.793 0.000 2.421 235 W HA 0.101 4.760 4.660 -0.001 0.000 0.270 235 W C 0.994 177.381 176.519 -0.220 0.000 1.233 235 W CA 1.070 58.044 57.345 -0.619 0.000 1.226 235 W CB -1.286 27.941 29.460 -0.388 0.000 1.121 235 W HN 0.450 nan 8.180 nan 0.000 0.579 236 G N 1.506 109.679 108.800 -1.046 0.000 2.404 236 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.215 236 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.215 236 G C 1.507 176.142 174.900 -0.442 0.000 1.174 236 G CA 1.972 46.494 45.100 -0.964 0.000 0.780 236 G HN 0.289 nan 8.290 nan 0.000 0.537 237 T N 0.919 115.242 114.554 -0.385 0.000 2.821 237 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 237 T C 2.343 176.973 174.700 -0.116 0.000 1.046 237 T CA 1.191 63.094 62.100 -0.328 0.000 1.139 237 T CB -0.257 68.307 68.868 -0.506 0.000 0.871 237 T HN 0.224 nan 8.240 nan 0.000 0.454 238 N N 0.548 119.206 118.700 -0.069 0.000 2.120 238 N HA -0.116 4.623 4.740 -0.001 0.000 0.188 238 N C 1.555 177.145 175.510 0.132 0.000 1.024 238 N CA 1.147 54.256 53.050 0.099 0.000 0.852 238 N CB -0.440 38.170 38.487 0.204 0.000 1.003 238 N HN 0.482 nan 8.380 nan 0.000 0.424 239 Y N 1.104 121.399 120.300 -0.009 0.000 2.181 239 Y HA -0.044 4.505 4.550 -0.001 0.000 0.288 239 Y C 2.122 178.031 175.900 0.015 0.000 1.146 239 Y CA 1.348 59.456 58.100 0.014 0.000 1.164 239 Y CB -0.446 37.961 38.460 -0.088 0.000 0.982 239 Y HN 0.044 nan 8.280 nan 0.000 0.515 240 L N -0.429 120.749 121.223 -0.076 0.000 2.042 240 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 240 L C 2.417 179.265 176.870 -0.036 0.000 1.076 240 L CA 1.547 56.344 54.840 -0.071 0.000 0.749 240 L CB -0.622 41.513 42.059 0.126 0.000 0.893 240 L HN 0.284 nan 8.230 nan 0.000 0.432 241 I N -0.103 120.529 120.570 0.103 0.000 2.113 241 I HA -0.300 3.869 4.170 -0.001 0.000 0.238 241 I C 2.855 178.975 176.117 0.004 0.000 1.070 241 I CA 1.338 62.721 61.300 0.138 0.000 1.332 241 I CB -0.542 37.636 38.000 0.297 0.000 1.044 241 I HN 0.195 nan 8.210 nan 0.000 0.402 242 A N 0.042 122.856 122.820 -0.009 0.000 1.908 242 A HA -0.311 4.009 4.320 -0.001 0.000 0.218 242 A C 2.234 179.735 177.584 -0.137 0.000 1.181 242 A CA 2.131 54.154 52.037 -0.023 0.000 0.627 242 A CB -0.718 18.310 19.000 0.047 0.000 0.818 242 A HN 0.440 nan 8.150 nan 0.000 0.445 243 Q N -0.502 119.106 119.800 -0.319 0.000 2.084 243 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 243 Q C 2.048 177.921 176.000 -0.211 0.000 0.978 243 Q CA 2.504 58.106 55.803 -0.334 0.000 0.844 243 Q CB -0.783 27.582 28.738 -0.622 0.000 0.898 243 Q HN 0.596 nan 8.270 nan 0.000 0.426 244 T N 0.535 114.970 114.554 -0.198 0.000 2.777 244 T HA -0.036 4.313 4.350 -0.001 0.000 0.266 244 T C 1.698 176.258 174.700 -0.233 0.000 1.040 244 T CA 1.167 63.161 62.100 -0.177 0.000 1.141 244 T CB -0.185 68.588 68.868 -0.158 0.000 0.868 244 T HN 0.202 nan 8.240 nan 0.000 0.444 245 L N 0.161 121.226 121.223 -0.264 0.000 2.027 245 L HA 0.197 4.536 4.340 -0.001 0.000 0.206 245 L C 1.505 177.887 176.870 -0.813 0.000 1.074 245 L CA 0.948 55.501 54.840 -0.479 0.000 0.745 245 L CB -0.596 41.265 42.059 -0.330 0.000 0.898 245 L HN 0.517 nan 8.230 nan 0.000 0.433 246 G N -2.742 105.788 108.800 -0.450 0.000 2.369 246 G HA2 0.003 3.963 3.960 -0.001 0.000 0.307 246 G HA3 0.003 3.963 3.960 -0.001 0.000 0.307 246 G C -2.624 172.305 174.900 0.048 0.000 1.327 246 G CA -0.564 44.372 45.100 -0.274 0.000 0.963 246 G HN -0.258 nan 8.290 nan 0.000 0.590 247 P HA -0.024 nan 4.420 nan 0.000 0.217 247 P C 1.483 178.905 177.300 0.203 0.000 1.148 247 P CA 1.394 64.590 63.100 0.161 0.000 0.828 247 P CB 0.100 31.883 31.700 0.138 0.000 0.783 248 K N -1.171 119.407 120.400 0.297 0.000 2.459 248 K HA 0.222 4.542 4.320 -0.001 0.000 0.193 248 K C 0.677 177.405 176.600 0.215 0.000 1.030 248 K CA -0.070 56.328 56.287 0.184 0.000 1.026 248 K CB 0.126 32.615 32.500 -0.017 0.000 0.809 248 K HN 0.072 nan 8.250 nan 0.000 0.504 249 A N 1.698 124.718 122.820 0.333 0.000 2.276 249 A HA 0.354 4.673 4.320 -0.001 0.000 0.316 249 A C -0.521 177.200 177.584 0.229 0.000 1.229 249 A CA -0.452 51.743 52.037 0.262 0.000 0.851 249 A CB 0.621 19.763 19.000 0.237 0.000 1.165 249 A HN 0.100 nan 8.150 nan 0.000 0.513 250 Q N 0.360 120.344 119.800 0.307 0.000 2.605 250 Q HA 0.479 4.818 4.340 -0.001 0.000 0.296 250 Q C -1.362 174.823 176.000 0.309 0.000 1.056 250 Q CA -0.841 55.153 55.803 0.318 0.000 0.778 250 Q CB 2.152 31.112 28.738 0.371 0.000 1.497 250 Q HN 0.766 nan 8.270 nan 0.000 0.443 251 C N 1.342 120.759 119.300 0.195 0.000 2.350 251 C HA 0.635 5.095 4.460 -0.001 0.000 0.348 251 C C -0.209 174.739 174.990 -0.069 0.000 1.260 251 C CA -0.649 58.454 59.018 0.143 0.000 1.966 251 C CB -0.238 27.633 27.740 0.219 0.000 2.380 251 C HN 0.633 nan 8.230 nan 0.000 0.535 252 L N 3.297 124.456 121.223 -0.107 0.000 2.322 252 L HA 0.699 5.038 4.340 -0.001 0.000 0.281 252 L C -0.810 175.874 176.870 -0.311 0.000 1.014 252 L CA -0.137 54.490 54.840 -0.355 0.000 0.815 252 L CB 1.105 42.923 42.059 -0.402 0.000 1.247 252 L HN 0.544 nan 8.230 nan 0.000 0.421 253 V N 4.215 123.900 119.914 -0.382 0.000 2.347 253 V HA 0.306 4.425 4.120 -0.001 0.000 0.280 253 V C -0.437 175.536 176.094 -0.202 0.000 1.021 253 V CA -0.567 61.605 62.300 -0.214 0.000 0.847 253 V CB 1.277 33.048 31.823 -0.087 0.000 0.990 253 V HN 0.656 nan 8.190 nan 0.000 0.444 254 D N 4.380 124.584 120.400 -0.327 0.000 2.329 254 D HA 0.310 4.950 4.640 -0.001 0.000 0.232 254 D C 1.136 177.338 176.300 -0.163 0.000 1.088 254 D CA -0.378 53.389 54.000 -0.388 0.000 0.835 254 D CB 1.754 41.923 40.800 -1.051 0.000 1.078 254 D HN 0.376 nan 8.370 nan 0.000 0.495 255 L N 2.912 124.139 121.223 0.007 0.000 2.051 255 L HA -0.156 4.183 4.340 -0.001 0.000 0.214 255 L C 2.107 179.106 176.870 0.214 0.000 1.076 255 L CA 1.673 56.599 54.840 0.144 0.000 0.758 255 L CB -0.409 41.717 42.059 0.112 0.000 0.890 255 L HN 0.476 nan 8.230 nan 0.000 0.433 256 G N -2.374 106.487 108.800 0.101 0.000 3.124 256 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.212 256 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.212 256 G C 0.829 175.865 174.900 0.226 0.000 1.181 256 G CA -0.224 44.975 45.100 0.165 0.000 0.803 256 G HN 0.546 nan 8.290 nan 0.000 0.529 257 H N -0.186 118.820 119.070 -0.107 0.000 2.537 257 H HA 0.184 4.739 4.556 -0.001 0.000 0.295 257 H C -0.021 175.074 175.328 -0.388 0.000 1.054 257 H CA -0.460 55.405 56.048 -0.306 0.000 1.156 257 H CB 0.371 29.876 29.762 -0.429 0.000 1.468 257 H HN 0.357 nan 8.280 nan 0.000 0.551 258 H N -0.087 119.101 119.070 0.198 0.000 2.670 258 H HA 0.436 4.992 4.556 -0.001 0.000 0.361 258 H C 0.092 175.525 175.328 0.175 0.000 1.169 258 H CA -0.841 55.323 56.048 0.194 0.000 1.198 258 H CB 1.612 31.475 29.762 0.168 0.000 1.700 258 H HN 0.228 nan 8.280 nan 0.000 0.542 259 A N 2.302 125.289 122.820 0.279 0.000 2.448 259 A HA 0.195 4.514 4.320 -0.001 0.000 0.239 259 A C -2.120 175.573 177.584 0.183 0.000 1.080 259 A CA -0.918 51.246 52.037 0.212 0.000 0.779 259 A CB -0.702 18.389 19.000 0.152 0.000 1.026 259 A HN 0.412 nan 8.150 nan 0.000 0.499 260 P HA 0.070 nan 4.420 nan 0.000 0.266 260 P C 0.025 177.377 177.300 0.087 0.000 1.195 260 P CA 0.567 63.736 63.100 0.116 0.000 0.768 260 P CB 0.228 31.989 31.700 0.101 0.000 0.838 261 N N -1.385 117.355 118.700 0.067 0.000 2.900 261 N HA -0.141 4.598 4.740 -0.001 0.000 0.240 261 N C -0.364 175.166 175.510 0.034 0.000 0.953 261 N CA 1.193 54.269 53.050 0.043 0.000 0.950 261 N CB -2.334 36.175 38.487 0.037 0.000 1.102 261 N HN 0.389 nan 8.380 nan 0.000 0.593 262 T N 1.664 116.250 114.554 0.053 0.000 2.946 262 T HA -0.044 4.306 4.350 -0.001 0.000 0.311 262 T C 0.813 175.491 174.700 -0.036 0.000 1.063 262 T CA -0.003 62.116 62.100 0.032 0.000 1.139 262 T CB 0.525 69.440 68.868 0.078 0.000 0.994 262 T HN 0.160 nan 8.240 nan 0.000 0.547 263 N N 3.086 121.749 118.700 -0.062 0.000 2.602 263 N HA 0.129 4.869 4.740 -0.001 0.000 0.238 263 N C 1.016 176.418 175.510 -0.181 0.000 1.084 263 N CA -0.206 52.782 53.050 -0.103 0.000 0.952 263 N CB 0.016 38.451 38.487 -0.088 0.000 1.244 263 N HN 0.556 nan 8.380 nan 0.000 0.512 264 I N 1.779 122.216 120.570 -0.221 0.000 2.315 264 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 264 I C 2.201 178.168 176.117 -0.250 0.000 1.117 264 I CA 0.747 61.849 61.300 -0.331 0.000 1.404 264 I CB 0.004 37.791 38.000 -0.354 0.000 1.071 264 I HN 0.533 nan 8.210 nan 0.000 0.419 265 E N 1.484 121.568 120.200 -0.192 0.000 2.204 265 E HA -0.298 4.051 4.350 -0.001 0.000 0.195 265 E C 2.082 178.571 176.600 -0.186 0.000 0.990 265 E CA 1.356 57.654 56.400 -0.169 0.000 0.821 265 E CB -0.633 28.962 29.700 -0.176 0.000 0.750 265 E HN 0.579 nan 8.360 nan 0.000 0.477 266 M N 0.791 120.264 119.600 -0.212 0.000 2.200 266 M HA -0.041 4.438 4.480 -0.001 0.000 0.265 266 M C 2.252 178.331 176.300 -0.369 0.000 1.066 266 M CA 1.179 56.341 55.300 -0.231 0.000 1.127 266 M CB -0.038 32.447 32.600 -0.192 0.000 1.379 266 M HN 0.008 nan 8.290 nan 0.000 0.420 267 I N -0.262 120.009 120.570 -0.499 0.000 2.208 267 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 267 I C 2.221 178.017 176.117 -0.536 0.000 1.097 267 I CA 1.079 61.871 61.300 -0.846 0.000 1.363 267 I CB -0.494 37.021 38.000 -0.808 0.000 1.051 267 I HN 0.157 nan 8.210 nan 0.000 0.413 268 V N 1.081 120.831 119.914 -0.273 0.000 2.287 268 V HA -0.326 3.793 4.120 -0.001 0.000 0.248 268 V C 2.726 178.746 176.094 -0.122 0.000 1.053 268 V CA 2.114 64.353 62.300 -0.102 0.000 1.027 268 V CB -1.051 30.821 31.823 0.082 0.000 0.646 268 V HN 0.517 nan 8.190 nan 0.000 0.447 269 A N -0.324 122.401 122.820 -0.157 0.000 1.902 269 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 269 A C 2.365 179.868 177.584 -0.134 0.000 1.181 269 A CA 1.420 53.370 52.037 -0.144 0.000 0.623 269 A CB -0.432 18.487 19.000 -0.134 0.000 0.818 269 A HN 0.404 nan 8.150 nan 0.000 0.443 270 R N -0.374 120.009 120.500 -0.196 0.000 2.073 270 R HA -0.030 4.310 4.340 -0.001 0.000 0.234 270 R C 2.097 178.420 176.300 0.039 0.000 1.134 270 R CA 1.264 57.299 56.100 -0.108 0.000 0.952 270 R CB -0.982 29.085 30.300 -0.390 0.000 0.850 270 R HN 0.585 nan 8.270 nan 0.000 0.433 271 L N 0.346 121.532 121.223 -0.061 0.000 2.083 271 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 271 L C 2.464 179.390 176.870 0.092 0.000 1.083 271 L CA 1.077 55.976 54.840 0.097 0.000 0.752 271 L CB -0.401 41.692 42.059 0.056 0.000 0.899 271 L HN 0.110 nan 8.230 nan 0.000 0.433 272 I N -0.461 120.085 120.570 -0.040 0.000 2.226 272 I HA -0.331 3.839 4.170 -0.001 0.000 0.245 272 I C 2.714 178.741 176.117 -0.150 0.000 1.100 272 I CA 1.338 62.526 61.300 -0.186 0.000 1.374 272 I CB -0.319 37.425 38.000 -0.427 0.000 1.057 272 I HN 0.385 nan 8.210 nan 0.000 0.413 273 Q N 1.007 120.745 119.800 -0.103 0.000 2.135 273 Q HA -0.203 4.137 4.340 -0.001 0.000 0.204 273 Q C 1.468 177.277 176.000 -0.319 0.000 0.981 273 Q CA 1.872 57.557 55.803 -0.197 0.000 0.856 273 Q CB -0.023 28.619 28.738 -0.160 0.000 0.902 273 Q HN 0.481 nan 8.270 nan 0.000 0.425 274 F N -0.562 119.383 119.950 -0.009 0.000 2.645 274 F HA 0.333 4.860 4.527 -0.001 0.000 0.300 274 F C 1.190 177.071 175.800 0.135 0.000 1.115 274 F CA 0.289 58.331 58.000 0.069 0.000 1.355 274 F CB 0.778 39.812 39.000 0.056 0.000 1.026 274 F HN 0.207 nan 8.300 nan 0.000 0.536 275 G N 0.866 109.762 108.800 0.160 0.000 2.283 275 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.280 275 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.280 275 G C 1.001 176.037 174.900 0.228 0.000 1.029 275 G CA 0.220 45.417 45.100 0.162 0.000 0.840 275 G HN 0.243 nan 8.290 nan 0.000 0.505 276 K N -0.933 119.628 120.400 0.268 0.000 2.478 276 K HA 0.273 4.592 4.320 -0.001 0.000 0.205 276 K C 0.531 177.249 176.600 0.197 0.000 1.033 276 K CA -0.548 55.901 56.287 0.269 0.000 1.091 276 K CB 0.625 33.353 32.500 0.380 0.000 0.844 276 K HN 0.388 nan 8.250 nan 0.000 0.507 277 L N 1.235 122.552 121.223 0.157 0.000 2.334 277 L HA 0.286 4.625 4.340 -0.001 0.000 0.286 277 L C 1.148 177.993 176.870 -0.041 0.000 1.108 277 L CA 0.206 55.069 54.840 0.038 0.000 0.875 277 L CB 0.658 42.781 42.059 0.107 0.000 1.246 277 L HN 0.211 nan 8.230 nan 0.000 0.439 278 G N 2.942 111.637 108.800 -0.176 0.000 2.394 278 G HA2 0.398 4.358 3.960 -0.001 0.000 0.215 278 G HA3 0.398 4.358 3.960 -0.001 0.000 0.215 278 G C 0.563 174.990 174.900 -0.788 0.000 1.165 278 G CA 0.685 45.557 45.100 -0.380 0.000 0.784 278 G HN 0.963 nan 8.290 nan 0.000 0.535 279 G N -1.929 106.368 108.800 -0.840 0.000 2.340 279 G HA2 0.463 4.423 3.960 -0.001 0.000 0.299 279 G HA3 0.463 4.423 3.960 -0.001 0.000 0.299 279 G C -1.883 172.500 174.900 -0.861 0.000 1.291 279 G CA -1.013 43.617 45.100 -0.784 0.000 0.841 279 G HN 0.052 nan 8.290 nan 0.000 0.500 280 F N -0.442 119.295 119.950 -0.356 0.000 2.593 280 F HA 0.635 5.162 4.527 -0.001 0.000 0.320 280 F C 0.147 175.777 175.800 -0.283 0.000 1.060 280 F CA -0.565 57.159 58.000 -0.459 0.000 0.940 280 F CB 2.561 41.024 39.000 -0.895 0.000 1.268 280 F HN 0.370 nan 8.300 nan 0.000 0.475 281 H N 1.857 120.775 119.070 -0.254 0.000 2.887 281 H HA 0.328 4.884 4.556 -0.001 0.000 0.300 281 H C -1.217 173.999 175.328 -0.187 0.000 1.038 281 H CA -0.720 55.236 56.048 -0.153 0.000 1.352 281 H CB 0.953 30.621 29.762 -0.156 0.000 1.473 281 H HN 0.331 nan 8.280 nan 0.000 0.503 282 F N 3.182 123.237 119.950 0.176 0.000 2.399 282 F HA 0.171 4.698 4.527 -0.001 0.000 0.342 282 F C 0.560 176.396 175.800 0.060 0.000 1.106 282 F CA -0.158 57.905 58.000 0.105 0.000 1.196 282 F CB 0.945 40.011 39.000 0.110 0.000 1.163 282 F HN 0.702 nan 8.300 nan 0.000 0.547 283 N N -0.603 118.257 118.700 0.267 0.000 3.836 283 N HA 0.277 5.017 4.740 -0.001 0.000 0.229 283 N C -2.216 173.379 175.510 0.142 0.000 1.375 283 N CA -0.990 52.154 53.050 0.156 0.000 0.838 283 N CB 0.856 39.396 38.487 0.088 0.000 1.447 283 N HN 0.319 nan 8.380 nan 0.000 0.458 284 D N -1.455 119.009 120.400 0.107 0.000 2.493 284 D HA 0.827 5.466 4.640 -0.001 0.000 0.239 284 D C -1.175 175.174 176.300 0.081 0.000 1.049 284 D CA -0.057 54.001 54.000 0.095 0.000 1.008 284 D CB 2.030 42.882 40.800 0.086 0.000 1.398 284 D HN 0.821 nan 8.370 nan 0.000 0.513 285 S N -0.247 115.493 115.700 0.066 0.000 2.595 285 S HA 0.385 4.854 4.470 -0.001 0.000 0.270 285 S C -0.068 174.528 174.600 -0.006 0.000 1.145 285 S CA -0.776 57.459 58.200 0.057 0.000 0.825 285 S CB 2.383 65.635 63.200 0.088 0.000 1.107 285 S HN 0.484 nan 8.310 nan 0.000 0.461 286 K N -0.774 119.578 120.400 -0.081 0.000 2.493 286 K HA 0.326 4.646 4.320 -0.001 0.000 0.201 286 K C 0.391 176.740 176.600 -0.419 0.000 1.355 286 K CA 0.024 56.113 56.287 -0.330 0.000 0.953 286 K CB 0.051 32.190 32.500 -0.602 0.000 1.316 286 K HN 0.657 nan 8.250 nan 0.000 0.522 287 Y N -0.357 120.004 120.300 0.103 0.000 2.351 287 Y HA 0.383 4.933 4.550 -0.001 0.000 0.291 287 Y C 1.531 177.528 175.900 0.162 0.000 1.153 287 Y CA 0.507 58.679 58.100 0.119 0.000 1.193 287 Y CB 0.239 38.765 38.460 0.111 0.000 1.187 287 Y HN 0.154 nan 8.280 nan 0.000 0.524 288 G N -1.026 107.970 108.800 0.327 0.000 3.187 288 G HA2 0.153 4.113 3.960 -0.001 0.000 0.175 288 G HA3 0.153 4.113 3.960 -0.001 0.000 0.175 288 G C -1.279 173.706 174.900 0.142 0.000 1.112 288 G CA -0.278 44.988 45.100 0.276 0.000 0.821 288 G HN -0.040 nan 8.290 nan 0.000 0.636 289 D N 0.725 121.142 120.400 0.029 0.000 2.713 289 D HA 0.238 4.878 4.640 -0.001 0.000 0.229 289 D C 0.514 176.849 176.300 0.058 0.000 1.136 289 D CA -0.329 53.683 54.000 0.020 0.000 1.010 289 D CB -0.005 40.717 40.800 -0.130 0.000 1.084 289 D HN 0.137 nan 8.370 nan 0.000 0.495 290 D N 1.014 121.477 120.400 0.105 0.000 2.263 290 D HA -0.136 4.503 4.640 -0.001 0.000 0.208 290 D C 0.294 176.639 176.300 0.075 0.000 0.971 290 D CA 0.541 54.609 54.000 0.115 0.000 0.867 290 D CB -0.015 40.876 40.800 0.152 0.000 0.929 290 D HN 0.418 nan 8.370 nan 0.000 0.492 291 D N -0.229 120.205 120.400 0.058 0.000 2.772 291 D HA -0.177 4.462 4.640 -0.001 0.000 0.233 291 D C -0.006 176.297 176.300 0.005 0.000 1.143 291 D CA 0.363 54.378 54.000 0.024 0.000 0.700 291 D CB -1.317 39.483 40.800 -0.001 0.000 1.076 291 D HN 0.320 nan 8.370 nan 0.000 0.430 292 L N 0.028 121.279 121.223 0.047 0.000 2.454 292 L HA 0.240 4.579 4.340 -0.001 0.000 0.256 292 L C 0.940 177.856 176.870 0.076 0.000 1.136 292 L CA -0.703 54.173 54.840 0.060 0.000 0.804 292 L CB 0.426 42.533 42.059 0.079 0.000 1.181 292 L HN -0.198 nan 8.230 nan 0.000 0.469 293 D N 1.318 121.780 120.400 0.103 0.000 2.487 293 D HA 0.200 4.840 4.640 -0.001 0.000 0.243 293 D C 0.163 176.520 176.300 0.095 0.000 1.154 293 D CA 0.243 54.313 54.000 0.117 0.000 0.876 293 D CB 0.645 41.509 40.800 0.107 0.000 1.161 293 D HN 0.582 nan 8.370 nan 0.000 0.478 294 A N 2.189 125.069 122.820 0.100 0.000 2.565 294 A HA 0.422 4.741 4.320 -0.001 0.000 0.237 294 A C 1.691 179.317 177.584 0.070 0.000 1.053 294 A CA 0.452 52.548 52.037 0.099 0.000 0.755 294 A CB -0.289 18.767 19.000 0.093 0.000 0.980 294 A HN 0.999 nan 8.150 nan 0.000 0.506 295 G N 0.865 109.715 108.800 0.083 0.000 2.189 295 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.267 295 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.267 295 G C 1.140 176.083 174.900 0.072 0.000 0.975 295 G CA 1.228 46.376 45.100 0.081 0.000 0.644 295 G HN 2.065 nan 8.290 nan 0.000 0.537 296 A N -0.617 122.242 122.820 0.065 0.000 2.066 296 A HA 0.443 4.762 4.320 -0.001 0.000 0.218 296 A C 2.182 179.799 177.584 0.054 0.000 1.157 296 A CA 1.868 53.939 52.037 0.057 0.000 0.670 296 A CB -0.137 18.899 19.000 0.060 0.000 0.804 296 A HN 0.509 nan 8.150 nan 0.000 0.453 297 I N -1.544 119.060 120.570 0.056 0.000 3.366 297 I HA 0.147 4.317 4.170 -0.001 0.000 0.267 297 I C 0.342 176.487 176.117 0.047 0.000 1.149 297 I CA 0.716 62.040 61.300 0.040 0.000 1.436 297 I CB -0.785 37.228 38.000 0.022 0.000 1.379 297 I HN 0.217 nan 8.210 nan 0.000 0.460 298 E N 2.464 122.701 120.200 0.062 0.000 3.037 298 E HA 0.190 4.539 4.350 -0.001 0.000 0.220 298 E C -1.771 174.896 176.600 0.112 0.000 1.142 298 E CA -1.431 55.015 56.400 0.077 0.000 0.888 298 E CB 1.650 31.383 29.700 0.054 0.000 1.329 298 E HN 0.143 nan 8.360 nan 0.000 0.409 299 P HA -0.213 nan 4.420 nan 0.000 0.218 299 P C 1.180 178.637 177.300 0.263 0.000 1.149 299 P CA 0.972 64.201 63.100 0.215 0.000 0.817 299 P CB 0.239 32.088 31.700 0.249 0.000 0.785 300 Y N 1.872 122.142 120.300 -0.051 0.000 2.242 300 Y HA -0.093 4.456 4.550 -0.001 0.000 0.291 300 Y C 2.854 178.706 175.900 -0.079 0.000 1.137 300 Y CA 1.033 58.913 58.100 -0.366 0.000 1.181 300 Y CB -0.877 37.288 38.460 -0.492 0.000 0.989 300 Y HN -0.206 nan 8.280 nan 0.000 0.527 301 R N -0.340 120.150 120.500 -0.017 0.000 2.081 301 R HA -0.186 4.154 4.340 -0.001 0.000 0.235 301 R C 2.185 178.465 176.300 -0.034 0.000 1.131 301 R CA 1.687 57.737 56.100 -0.083 0.000 0.960 301 R CB -0.668 29.619 30.300 -0.021 0.000 0.856 301 R HN 0.400 nan 8.270 nan 0.000 0.436 302 L N 0.536 121.803 121.223 0.074 0.000 2.012 302 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 302 L C 2.042 179.027 176.870 0.190 0.000 1.073 302 L CA 1.765 56.688 54.840 0.138 0.000 0.748 302 L CB -0.831 41.330 42.059 0.170 0.000 0.891 302 L HN 0.281 nan 8.230 nan 0.000 0.431 303 F N -0.431 119.550 119.950 0.051 0.000 2.134 303 F HA -0.216 4.310 4.527 -0.001 0.000 0.299 303 F C 2.030 177.808 175.800 -0.037 0.000 1.097 303 F CA 1.740 59.780 58.000 0.066 0.000 1.264 303 F CB -0.376 38.685 39.000 0.102 0.000 1.001 303 F HN 0.057 nan 8.300 nan 0.000 0.479 304 L N -0.564 120.459 121.223 -0.333 0.000 2.131 304 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 304 L C 2.385 179.054 176.870 -0.334 0.000 1.092 304 L CA 0.814 55.375 54.840 -0.465 0.000 0.759 304 L CB -0.817 40.989 42.059 -0.423 0.000 0.903 304 L HN 0.078 nan 8.230 nan 0.000 0.435 305 V N -0.750 119.021 119.914 -0.237 0.000 2.358 305 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 305 V C 2.189 178.095 176.094 -0.313 0.000 1.047 305 V CA 1.759 63.908 62.300 -0.253 0.000 1.035 305 V CB -0.489 31.165 31.823 -0.282 0.000 0.658 305 V HN 0.225 nan 8.190 nan 0.000 0.452 306 F N 0.815 120.624 119.950 -0.236 0.000 2.293 306 F HA -0.104 4.422 4.527 -0.001 0.000 0.300 306 F C 2.251 177.915 175.800 -0.227 0.000 1.086 306 F CA 1.610 59.498 58.000 -0.187 0.000 1.375 306 F CB -0.558 38.329 39.000 -0.189 0.000 1.045 306 F HN 0.245 nan 8.300 nan 0.000 0.516 307 N N 0.331 118.857 118.700 -0.290 0.000 2.166 307 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 307 N C 1.714 177.135 175.510 -0.148 0.000 1.019 307 N CA 1.420 54.271 53.050 -0.331 0.000 0.856 307 N CB -0.099 38.056 38.487 -0.552 0.000 0.993 307 N HN 0.053 nan 8.380 nan 0.000 0.426 308 E N 0.203 120.323 120.200 -0.134 0.000 2.152 308 E HA -0.061 4.288 4.350 -0.001 0.000 0.192 308 E C 2.061 178.668 176.600 0.011 0.000 0.983 308 E CA 0.428 56.784 56.400 -0.074 0.000 0.818 308 E CB -0.201 29.451 29.700 -0.080 0.000 0.758 308 E HN 0.486 nan 8.360 nan 0.000 0.467 309 L N 0.133 121.406 121.223 0.084 0.000 2.027 309 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 309 L C 2.479 179.513 176.870 0.273 0.000 1.074 309 L CA 0.800 55.809 54.840 0.280 0.000 0.745 309 L CB -0.527 41.713 42.059 0.302 0.000 0.898 309 L HN -0.020 nan 8.230 nan 0.000 0.433 310 V N -0.040 119.993 119.914 0.198 0.000 2.515 310 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 310 V C 2.114 178.257 176.094 0.083 0.000 1.058 310 V CA 2.009 64.403 62.300 0.158 0.000 1.064 310 V CB -0.484 31.389 31.823 0.082 0.000 0.675 310 V HN 0.469 nan 8.190 nan 0.000 0.461 311 D N 0.391 120.810 120.400 0.031 0.000 2.144 311 D HA -0.132 4.507 4.640 -0.001 0.000 0.199 311 D C 2.143 178.434 176.300 -0.014 0.000 0.984 311 D CA 1.338 55.335 54.000 -0.005 0.000 0.834 311 D CB -0.111 40.666 40.800 -0.037 0.000 0.955 311 D HN 0.358 nan 8.370 nan 0.000 0.465 312 A N 0.476 123.280 122.820 -0.026 0.000 1.917 312 A HA -0.267 4.052 4.320 -0.001 0.000 0.219 312 A C 2.173 179.745 177.584 -0.020 0.000 1.182 312 A CA 1.990 53.964 52.037 -0.104 0.000 0.633 312 A CB -0.841 17.989 19.000 -0.283 0.000 0.819 312 A HN 0.456 nan 8.150 nan 0.000 0.448 313 E N -0.303 119.944 120.200 0.078 0.000 2.072 313 E HA -0.088 4.261 4.350 -0.001 0.000 0.191 313 E C 2.149 178.778 176.600 0.048 0.000 0.985 313 E CA 0.956 57.413 56.400 0.095 0.000 0.801 313 E CB -0.274 29.513 29.700 0.145 0.000 0.750 313 E HN 0.528 nan 8.360 nan 0.000 0.452 314 A N 1.407 124.248 122.820 0.035 0.000 1.940 314 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 314 A C 2.118 179.701 177.584 -0.002 0.000 1.176 314 A CA 1.342 53.389 52.037 0.016 0.000 0.631 314 A CB -0.444 18.561 19.000 0.009 0.000 0.814 314 A HN 0.192 nan 8.150 nan 0.000 0.446 315 R N -1.574 118.916 120.500 -0.017 0.000 2.276 315 R HA 0.116 4.456 4.340 -0.001 0.000 0.203 315 R C 1.241 177.524 176.300 -0.028 0.000 1.017 315 R CA 0.617 56.697 56.100 -0.032 0.000 1.010 315 R CB -0.171 30.094 30.300 -0.058 0.000 0.900 315 R HN 0.761 nan 8.270 nan 0.000 0.469 316 G N 0.958 109.750 108.800 -0.014 0.000 2.130 316 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.216 316 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.216 316 G C 0.150 175.041 174.900 -0.014 0.000 0.999 316 G CA -0.112 44.985 45.100 -0.004 0.000 0.686 316 G HN 0.112 nan 8.290 nan 0.000 0.515 317 V N 1.283 121.174 119.914 -0.038 0.000 2.673 317 V HA 0.318 4.438 4.120 -0.001 0.000 0.303 317 V C 0.666 176.757 176.094 -0.004 0.000 1.046 317 V CA 0.164 62.426 62.300 -0.062 0.000 1.126 317 V CB 1.143 32.865 31.823 -0.168 0.000 0.934 317 V HN 0.286 nan 8.190 nan 0.000 0.487 318 K N 2.625 123.028 120.400 0.006 0.000 2.156 318 K HA 0.572 4.891 4.320 -0.001 0.000 0.250 318 K C 1.006 177.641 176.600 0.059 0.000 0.955 318 K CA -0.006 56.304 56.287 0.038 0.000 0.855 318 K CB 1.404 33.928 32.500 0.040 0.000 1.101 318 K HN 0.985 nan 8.250 nan 0.000 0.434 319 G N 1.252 110.090 108.800 0.064 0.000 2.168 319 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.257 319 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.257 319 G C -0.347 174.576 174.900 0.039 0.000 0.997 319 G CA 0.181 45.339 45.100 0.097 0.000 0.708 319 G HN 0.435 nan 8.290 nan 0.000 0.520 320 F N 2.909 122.665 119.950 -0.325 0.000 2.368 320 F HA 0.573 5.099 4.527 -0.001 0.000 0.362 320 F C 0.273 175.736 175.800 -0.561 0.000 1.137 320 F CA -1.510 56.313 58.000 -0.296 0.000 1.161 320 F CB 0.362 39.266 39.000 -0.159 0.000 1.265 320 F HN 0.214 nan 8.300 nan 0.000 0.530 321 H N 5.856 124.747 119.070 -0.297 0.000 2.429 321 H HA 0.252 4.808 4.556 -0.001 0.000 0.231 321 H C -2.373 172.705 175.328 -0.417 0.000 1.416 321 H CA -1.677 54.178 56.048 -0.322 0.000 1.443 321 H CB 0.313 30.007 29.762 -0.114 0.000 1.591 321 H HN 0.417 nan 8.280 nan 0.000 0.507 322 P HA 0.104 nan 4.420 nan 0.000 0.266 322 P C -0.119 176.838 177.300 -0.572 0.000 1.195 322 P CA -0.187 62.550 63.100 -0.606 0.000 0.768 322 P CB 0.866 32.176 31.700 -0.651 0.000 0.838 323 A N 2.876 125.436 122.820 -0.433 0.000 2.302 323 A HA 0.273 4.592 4.320 -0.001 0.000 0.295 323 A C -0.506 176.942 177.584 -0.227 0.000 1.235 323 A CA -0.327 51.551 52.037 -0.265 0.000 0.876 323 A CB -0.557 18.380 19.000 -0.105 0.000 1.133 323 A HN 0.638 nan 8.150 nan 0.000 0.533 324 H N 1.802 120.930 119.070 0.097 0.000 2.517 324 H HA 0.598 5.153 4.556 -0.001 0.000 0.317 324 H C -0.196 175.274 175.328 0.237 0.000 1.080 324 H CA 0.022 56.229 56.048 0.265 0.000 1.301 324 H CB 1.177 31.133 29.762 0.324 0.000 1.425 324 H HN 0.691 nan 8.280 nan 0.000 0.471 325 M N 3.024 122.872 119.600 0.413 0.000 2.484 325 M HA 0.392 4.871 4.480 -0.001 0.000 0.289 325 M C -1.038 175.426 176.300 0.274 0.000 1.206 325 M CA -0.510 54.959 55.300 0.281 0.000 0.892 325 M CB 2.771 35.514 32.600 0.238 0.000 1.712 325 M HN 0.379 nan 8.290 nan 0.000 0.462 326 I N 1.375 122.028 120.570 0.139 0.000 2.385 326 I HA 0.307 4.477 4.170 -0.001 0.000 0.294 326 I C -0.726 175.327 176.117 -0.108 0.000 0.988 326 I CA -0.117 61.243 61.300 0.101 0.000 1.265 326 I CB 1.198 39.244 38.000 0.075 0.000 1.388 326 I HN 0.601 nan 8.210 nan 0.000 0.480 327 D N 6.640 126.988 120.400 -0.085 0.000 2.346 327 D HA 0.351 4.991 4.640 -0.001 0.000 0.255 327 D C -0.982 175.308 176.300 -0.017 0.000 1.276 327 D CA -0.225 53.712 54.000 -0.104 0.000 0.941 327 D CB 0.788 41.458 40.800 -0.217 0.000 1.199 327 D HN 0.466 nan 8.370 nan 0.000 0.537 328 Q N 0.607 120.359 119.800 -0.079 0.000 2.495 328 Q HA 0.610 4.950 4.340 -0.001 0.000 0.287 328 Q C -1.222 174.565 176.000 -0.354 0.000 1.078 328 Q CA -1.156 54.545 55.803 -0.171 0.000 0.793 328 Q CB 2.393 31.035 28.738 -0.159 0.000 1.459 328 Q HN 0.228 nan 8.270 nan 0.000 0.422 329 S N 0.039 115.498 115.700 -0.402 0.000 2.552 329 S HA 0.432 4.902 4.470 -0.001 0.000 0.314 329 S C -1.703 172.622 174.600 -0.458 0.000 1.099 329 S CA -0.555 57.446 58.200 -0.332 0.000 1.070 329 S CB 0.289 63.442 63.200 -0.077 0.000 0.998 329 S HN 0.576 nan 8.310 nan 0.000 0.474 330 H N 4.091 123.190 119.070 0.049 0.000 2.700 330 H HA 0.403 4.958 4.556 -0.001 0.000 0.269 330 H C 0.510 175.879 175.328 0.069 0.000 1.222 330 H CA -0.783 55.294 56.048 0.048 0.000 1.254 330 H CB 0.538 30.315 29.762 0.024 0.000 1.413 330 H HN 0.482 nan 8.280 nan 0.000 0.507 331 N N 1.701 120.483 118.700 0.137 0.000 2.415 331 N HA -0.058 4.681 4.740 -0.001 0.000 0.176 331 N C 1.062 176.674 175.510 0.169 0.000 1.042 331 N CA 0.742 53.884 53.050 0.153 0.000 0.902 331 N CB 0.795 39.371 38.487 0.149 0.000 0.986 331 N HN 0.499 nan 8.380 nan 0.000 0.447 332 V N -2.642 117.356 119.914 0.140 0.000 3.111 332 V HA 0.435 4.554 4.120 -0.001 0.000 0.343 332 V C 0.064 176.212 176.094 0.089 0.000 1.417 332 V CA -0.225 62.138 62.300 0.105 0.000 1.142 332 V CB -0.176 31.693 31.823 0.076 0.000 1.114 332 V HN 0.151 nan 8.190 nan 0.000 0.520 333 T N -3.734 110.884 114.554 0.106 0.000 2.812 333 T HA 0.473 4.822 4.350 -0.001 0.000 0.294 333 T C -1.156 173.588 174.700 0.073 0.000 1.159 333 T CA -0.326 61.822 62.100 0.080 0.000 1.008 333 T CB 2.096 71.005 68.868 0.069 0.000 1.289 333 T HN 0.163 nan 8.240 nan 0.000 0.514 334 D N 1.251 121.681 120.400 0.049 0.000 2.358 334 D HA 0.241 4.880 4.640 -0.001 0.000 0.258 334 D C -1.536 174.727 176.300 -0.061 0.000 1.223 334 D CA -1.911 52.116 54.000 0.044 0.000 0.886 334 D CB 1.421 42.282 40.800 0.101 0.000 1.120 334 D HN 0.114 nan 8.370 nan 0.000 0.482 335 P HA -0.144 nan 4.420 nan 0.000 0.217 335 P C 1.615 178.681 177.300 -0.390 0.000 1.151 335 P CA 1.050 63.993 63.100 -0.262 0.000 0.849 335 P CB 0.254 31.920 31.700 -0.056 0.000 0.787 336 I N -0.573 119.838 120.570 -0.265 0.000 2.226 336 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 336 I C 2.230 178.065 176.117 -0.470 0.000 1.100 336 I CA 1.523 62.598 61.300 -0.375 0.000 1.374 336 I CB -0.670 37.060 38.000 -0.449 0.000 1.057 336 I HN 0.034 nan 8.210 nan 0.000 0.413 337 E N 0.438 120.376 120.200 -0.436 0.000 2.072 337 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 337 E C 2.353 178.818 176.600 -0.225 0.000 0.985 337 E CA 1.346 57.553 56.400 -0.321 0.000 0.801 337 E CB -0.104 29.504 29.700 -0.153 0.000 0.750 337 E HN 0.333 nan 8.360 nan 0.000 0.452 338 S N 1.081 116.633 115.700 -0.246 0.000 2.356 338 S HA -0.095 4.375 4.470 -0.001 0.000 0.223 338 S C 2.048 176.520 174.600 -0.213 0.000 1.032 338 S CA 0.782 58.861 58.200 -0.202 0.000 1.005 338 S CB -0.163 62.900 63.200 -0.229 0.000 0.867 338 S HN 0.170 nan 8.310 nan 0.000 0.449 339 L N 0.862 121.875 121.223 -0.350 0.000 2.083 339 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 339 L C 2.180 178.964 176.870 -0.144 0.000 1.083 339 L CA 1.004 55.718 54.840 -0.210 0.000 0.752 339 L CB -0.522 41.393 42.059 -0.239 0.000 0.899 339 L HN 0.315 nan 8.230 nan 0.000 0.433 340 I N 0.022 120.483 120.570 -0.183 0.000 2.142 340 I HA -0.314 3.855 4.170 -0.001 0.000 0.240 340 I C 2.114 178.178 176.117 -0.090 0.000 1.078 340 I CA 1.359 62.574 61.300 -0.142 0.000 1.343 340 I CB -0.327 37.564 38.000 -0.182 0.000 1.046 340 I HN 0.341 nan 8.210 nan 0.000 0.405 341 N N 0.321 118.971 118.700 -0.084 0.000 2.309 341 N HA -0.098 4.641 4.740 -0.001 0.000 0.182 341 N C 1.936 177.426 175.510 -0.034 0.000 1.018 341 N CA 0.993 54.013 53.050 -0.050 0.000 0.876 341 N CB -0.157 38.308 38.487 -0.037 0.000 0.972 341 N HN 0.204 nan 8.380 nan 0.000 0.434 342 S N 0.467 116.151 115.700 -0.027 0.000 2.371 342 S HA 0.025 4.495 4.470 -0.001 0.000 0.224 342 S C 2.070 176.657 174.600 -0.023 0.000 1.029 342 S CA 0.899 59.099 58.200 -0.001 0.000 0.978 342 S CB -0.226 63.000 63.200 0.042 0.000 0.833 342 S HN 0.471 nan 8.310 nan 0.000 0.466 343 A N 2.303 125.108 122.820 -0.024 0.000 1.933 343 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 343 A C 1.843 179.407 177.584 -0.033 0.000 1.175 343 A CA 1.695 53.724 52.037 -0.013 0.000 0.628 343 A CB -0.876 18.122 19.000 -0.004 0.000 0.814 343 A HN 0.622 nan 8.150 nan 0.000 0.444 344 N N -0.582 118.093 118.700 -0.041 0.000 2.084 344 N HA -0.150 4.589 4.740 -0.001 0.000 0.190 344 N C 1.634 177.094 175.510 -0.083 0.000 1.030 344 N CA 1.140 54.160 53.050 -0.050 0.000 0.849 344 N CB -0.138 38.324 38.487 -0.042 0.000 1.012 344 N HN 0.363 nan 8.380 nan 0.000 0.423 345 E N 1.046 121.200 120.200 -0.077 0.000 2.153 345 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 345 E C 2.007 178.506 176.600 -0.170 0.000 0.988 345 E CA 0.682 57.030 56.400 -0.087 0.000 0.811 345 E CB -0.116 29.560 29.700 -0.040 0.000 0.746 345 E HN 0.492 nan 8.360 nan 0.000 0.466 346 I N 0.267 120.703 120.570 -0.223 0.000 2.252 346 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 346 I C 2.545 178.271 176.117 -0.651 0.000 1.102 346 I CA 0.856 61.901 61.300 -0.425 0.000 1.385 346 I CB -0.182 37.590 38.000 -0.380 0.000 1.064 346 I HN -0.026 nan 8.210 nan 0.000 0.414 347 R N 0.255 120.518 120.500 -0.396 0.000 2.115 347 R HA -0.121 4.219 4.340 -0.001 0.000 0.230 347 R C 2.427 178.526 176.300 -0.336 0.000 1.111 347 R CA 0.860 56.727 56.100 -0.388 0.000 0.976 347 R CB -0.226 30.001 30.300 -0.122 0.000 0.870 347 R HN 0.307 nan 8.270 nan 0.000 0.445 348 R N 0.561 120.907 120.500 -0.257 0.000 2.070 348 R HA -0.121 4.218 4.340 -0.001 0.000 0.233 348 R C 2.115 178.294 176.300 -0.202 0.000 1.137 348 R CA 1.655 57.644 56.100 -0.185 0.000 0.945 348 R CB -0.241 29.985 30.300 -0.123 0.000 0.845 348 R HN 0.186 nan 8.270 nan 0.000 0.430 349 A N 0.056 122.724 122.820 -0.254 0.000 1.902 349 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 349 A C 2.017 179.380 177.584 -0.368 0.000 1.181 349 A CA 1.385 53.337 52.037 -0.142 0.000 0.623 349 A CB -0.882 18.069 19.000 -0.082 0.000 0.818 349 A HN 0.630 nan 8.150 nan 0.000 0.443 350 Y N 0.778 120.405 120.300 -1.122 0.000 2.114 350 Y HA -0.111 4.438 4.550 -0.001 0.000 0.284 350 Y C 2.653 178.279 175.900 -0.456 0.000 1.143 350 Y CA 1.256 58.695 58.100 -1.101 0.000 1.135 350 Y CB -0.819 36.692 38.460 -1.583 0.000 0.980 350 Y HN 0.301 nan 8.280 nan 0.000 0.499 351 A N 0.335 122.880 122.820 -0.459 0.000 1.883 351 A HA -0.293 4.026 4.320 -0.001 0.000 0.217 351 A C 2.125 179.574 177.584 -0.225 0.000 1.186 351 A CA 2.183 54.002 52.037 -0.364 0.000 0.624 351 A CB -0.871 18.006 19.000 -0.205 0.000 0.822 351 A HN 0.702 nan 8.150 nan 0.000 0.444 352 Q N -0.786 118.961 119.800 -0.088 0.000 2.124 352 Q HA -0.060 4.280 4.340 -0.001 0.000 0.202 352 Q C 2.376 178.534 176.000 0.263 0.000 0.977 352 Q CA 1.286 57.137 55.803 0.079 0.000 0.850 352 Q CB -0.396 28.420 28.738 0.129 0.000 0.901 352 Q HN 0.693 nan 8.270 nan 0.000 0.429 353 A N 0.879 123.818 122.820 0.198 0.000 1.972 353 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 353 A C 1.994 179.553 177.584 -0.043 0.000 1.169 353 A CA 0.980 53.051 52.037 0.058 0.000 0.635 353 A CB -0.546 18.400 19.000 -0.091 0.000 0.810 353 A HN 0.296 nan 8.150 nan 0.000 0.446 354 L N -0.658 120.450 121.223 -0.190 0.000 2.291 354 L HA -0.070 4.270 4.340 -0.001 0.000 0.214 354 L C 2.054 178.870 176.870 -0.090 0.000 1.120 354 L CA 0.510 55.228 54.840 -0.203 0.000 0.799 354 L CB -0.377 41.465 42.059 -0.362 0.000 0.925 354 L HN 0.378 nan 8.230 nan 0.000 0.446 355 L N -0.751 120.447 121.223 -0.042 0.000 2.418 355 L HA 0.020 4.359 4.340 -0.001 0.000 0.218 355 L C 0.842 177.731 176.870 0.031 0.000 1.125 355 L CA -0.191 54.641 54.840 -0.014 0.000 0.835 355 L CB -0.124 41.924 42.059 -0.019 0.000 0.953 355 L HN -0.032 nan 8.230 nan 0.000 0.454 356 V N 1.496 121.456 119.914 0.076 0.000 2.557 356 V HA -0.133 3.987 4.120 -0.001 0.000 0.301 356 V C 0.497 176.624 176.094 0.055 0.000 1.026 356 V CA 0.200 62.560 62.300 0.100 0.000 1.137 356 V CB 0.442 32.341 31.823 0.126 0.000 0.917 356 V HN 0.161 nan 8.190 nan 0.000 0.484 357 D N 5.747 126.182 120.400 0.058 0.000 2.383 357 D HA 0.071 4.711 4.640 -0.001 0.000 0.245 357 D C 1.367 177.686 176.300 0.032 0.000 1.263 357 D CA -0.261 53.760 54.000 0.035 0.000 0.936 357 D CB 0.512 41.336 40.800 0.039 0.000 1.053 357 D HN 0.355 nan 8.370 nan 0.000 0.507 358 R N 2.942 123.452 120.500 0.017 0.000 2.096 358 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 358 R C 1.792 178.085 176.300 -0.011 0.000 1.127 358 R CA 1.204 57.309 56.100 0.008 0.000 0.968 358 R CB -0.814 29.488 30.300 0.003 0.000 0.861 358 R HN 0.488 nan 8.270 nan 0.000 0.440 359 A N 1.306 124.111 122.820 -0.025 0.000 1.877 359 A HA -0.057 4.262 4.320 -0.001 0.000 0.216 359 A C 2.433 179.959 177.584 -0.097 0.000 1.186 359 A CA 1.845 53.851 52.037 -0.052 0.000 0.620 359 A CB -0.604 18.367 19.000 -0.048 0.000 0.822 359 A HN 0.343 nan 8.150 nan 0.000 0.443 360 A N -0.530 122.233 122.820 -0.096 0.000 1.877 360 A HA -0.026 4.293 4.320 -0.001 0.000 0.216 360 A C 2.144 179.612 177.584 -0.194 0.000 1.186 360 A CA 1.737 53.653 52.037 -0.202 0.000 0.620 360 A CB -0.703 18.265 19.000 -0.054 0.000 0.822 360 A HN 0.687 nan 8.150 nan 0.000 0.443 361 L N 0.051 121.283 121.223 0.014 0.000 2.012 361 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 361 L C 2.631 179.525 176.870 0.040 0.000 1.073 361 L CA 2.687 57.591 54.840 0.106 0.000 0.748 361 L CB -0.836 41.279 42.059 0.093 0.000 0.891 361 L HN 0.376 nan 8.230 nan 0.000 0.431 362 S N -0.687 115.003 115.700 -0.018 0.000 2.370 362 S HA -0.149 4.320 4.470 -0.001 0.000 0.226 362 S C 2.067 176.635 174.600 -0.054 0.000 1.033 362 S CA 1.352 59.536 58.200 -0.027 0.000 1.011 362 S CB -0.920 62.258 63.200 -0.036 0.000 0.852 362 S HN 0.670 nan 8.310 nan 0.000 0.457 363 G N -0.467 108.248 108.800 -0.142 0.000 2.421 363 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.216 363 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.216 363 G C 1.148 175.970 174.900 -0.130 0.000 1.171 363 G CA 0.955 45.939 45.100 -0.194 0.000 0.775 363 G HN 0.600 nan 8.290 nan 0.000 0.543 364 Y N 1.014 121.317 120.300 0.005 0.000 2.352 364 Y HA -0.030 4.519 4.550 -0.001 0.000 0.292 364 Y C 3.079 178.982 175.900 0.004 0.000 1.136 364 Y CA 1.025 59.128 58.100 0.006 0.000 1.227 364 Y CB -0.450 38.017 38.460 0.010 0.000 0.991 364 Y HN 0.306 nan 8.280 nan 0.000 0.545 365 Q N -0.279 119.602 119.800 0.136 0.000 2.083 365 Q HA -0.148 4.191 4.340 -0.001 0.000 0.198 365 Q C 1.975 178.005 176.000 0.049 0.000 0.969 365 Q CA 1.178 57.028 55.803 0.078 0.000 0.838 365 Q CB -0.072 28.695 28.738 0.048 0.000 0.900 365 Q HN 0.363 nan 8.270 nan 0.000 0.436 366 E N 0.989 121.206 120.200 0.030 0.000 2.150 366 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 366 E C 1.094 177.710 176.600 0.026 0.000 0.985 366 E CA 0.930 57.339 56.400 0.016 0.000 0.814 366 E CB -0.047 29.651 29.700 -0.003 0.000 0.752 366 E HN 0.359 nan 8.360 nan 0.000 0.466 367 D N 0.194 120.621 120.400 0.045 0.000 2.340 367 D HA -0.005 4.635 4.640 -0.001 0.000 0.220 367 D C -0.259 176.078 176.300 0.061 0.000 1.039 367 D CA 0.017 54.050 54.000 0.055 0.000 0.866 367 D CB -0.218 40.628 40.800 0.077 0.000 0.913 367 D HN 0.160 nan 8.370 nan 0.000 0.523 368 N N 1.324 120.060 118.700 0.060 0.000 2.735 368 N HA -0.179 4.561 4.740 -0.001 0.000 0.248 368 N C -0.653 174.886 175.510 0.049 0.000 1.083 368 N CA 0.416 53.494 53.050 0.047 0.000 0.703 368 N CB -0.688 37.817 38.487 0.030 0.000 1.005 368 N HN 0.085 nan 8.380 nan 0.000 0.550 369 D N 0.014 120.462 120.400 0.079 0.000 2.564 369 D HA 0.459 5.099 4.640 -0.001 0.000 0.226 369 D C 1.130 177.427 176.300 -0.005 0.000 1.149 369 D CA 0.300 54.326 54.000 0.043 0.000 0.994 369 D CB 0.100 40.960 40.800 0.101 0.000 1.029 369 D HN 0.376 nan 8.370 nan 0.000 0.517 370 A N 3.344 126.162 122.820 -0.005 0.000 1.917 370 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 370 A C 2.096 179.653 177.584 -0.044 0.000 1.182 370 A CA 1.135 53.165 52.037 -0.010 0.000 0.633 370 A CB -0.527 18.471 19.000 -0.003 0.000 0.819 370 A HN 0.604 nan 8.150 nan 0.000 0.448 371 L N -1.417 119.763 121.223 -0.071 0.000 1.994 371 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 371 L C 2.483 179.252 176.870 -0.169 0.000 1.071 371 L CA 1.853 56.636 54.840 -0.094 0.000 0.745 371 L CB -0.228 41.778 42.059 -0.087 0.000 0.892 371 L HN 0.284 nan 8.230 nan 0.000 0.431 372 M N -0.516 118.892 119.600 -0.319 0.000 2.296 372 M HA -0.088 4.392 4.480 -0.001 0.000 0.265 372 M C 2.383 178.387 176.300 -0.493 0.000 1.064 372 M CA 1.503 56.432 55.300 -0.619 0.000 1.109 372 M CB -1.505 30.279 32.600 -1.360 0.000 1.396 372 M HN 0.484 nan 8.290 nan 0.000 0.430 373 A N -0.742 121.942 122.820 -0.227 0.000 1.873 373 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 373 A C 2.392 180.001 177.584 0.041 0.000 1.186 373 A CA 2.303 54.359 52.037 0.031 0.000 0.616 373 A CB -1.128 17.922 19.000 0.084 0.000 0.823 373 A HN 0.419 nan 8.150 nan 0.000 0.442 374 T N -0.967 113.594 114.554 0.013 0.000 2.821 374 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 374 T C 1.915 176.647 174.700 0.053 0.000 1.046 374 T CA 1.804 63.939 62.100 0.058 0.000 1.139 374 T CB -0.218 68.677 68.868 0.046 0.000 0.871 374 T HN 0.597 nan 8.240 nan 0.000 0.454 375 E N 0.432 120.623 120.200 -0.015 0.000 2.150 375 E HA -0.071 4.279 4.350 -0.001 0.000 0.193 375 E C 2.108 178.721 176.600 0.021 0.000 0.985 375 E CA 1.515 57.901 56.400 -0.022 0.000 0.814 375 E CB -0.595 29.058 29.700 -0.079 0.000 0.752 375 E HN 0.397 nan 8.360 nan 0.000 0.466 376 T N 0.726 115.309 114.554 0.049 0.000 2.821 376 T HA -0.046 4.304 4.350 -0.001 0.000 0.267 376 T C 1.710 176.499 174.700 0.147 0.000 1.046 376 T CA 1.136 63.308 62.100 0.120 0.000 1.139 376 T CB -0.138 68.856 68.868 0.210 0.000 0.871 376 T HN 0.144 nan 8.240 nan 0.000 0.454 377 L N 0.329 121.663 121.223 0.185 0.000 2.072 377 L HA -0.031 4.309 4.340 -0.001 0.000 0.205 377 L C 2.730 179.741 176.870 0.236 0.000 1.079 377 L CA 0.940 55.967 54.840 0.312 0.000 0.752 377 L CB -0.397 41.901 42.059 0.399 0.000 0.906 377 L HN 0.065 nan 8.230 nan 0.000 0.436 378 K N 0.520 121.001 120.400 0.136 0.000 2.097 378 K HA -0.125 4.194 4.320 -0.001 0.000 0.206 378 K C 2.109 178.700 176.600 -0.014 0.000 1.049 378 K CA 1.163 57.469 56.287 0.031 0.000 0.933 378 K CB -0.297 32.191 32.500 -0.021 0.000 0.717 378 K HN 0.300 nan 8.250 nan 0.000 0.442 379 R N 0.225 120.729 120.500 0.008 0.000 2.159 379 R HA -0.092 4.248 4.340 -0.001 0.000 0.237 379 R C 2.212 178.492 176.300 -0.033 0.000 1.131 379 R CA 1.274 57.364 56.100 -0.017 0.000 0.982 379 R CB -0.214 30.092 30.300 0.010 0.000 0.868 379 R HN 0.172 nan 8.270 nan 0.000 0.453 380 A N -0.009 122.813 122.820 0.004 0.000 1.861 380 A HA -0.142 4.177 4.320 -0.001 0.000 0.212 380 A C 1.894 179.390 177.584 -0.146 0.000 1.199 380 A CA 0.641 52.677 52.037 -0.001 0.000 0.613 380 A CB -0.660 18.439 19.000 0.165 0.000 0.846 380 A HN 0.384 nan 8.150 nan 0.000 0.446 381 Y N 1.032 121.037 120.300 -0.491 0.000 2.224 381 Y HA -0.156 4.394 4.550 -0.001 0.000 0.289 381 Y C 2.310 177.976 175.900 -0.390 0.000 1.146 381 Y CA 1.841 59.495 58.100 -0.743 0.000 1.182 381 Y CB -0.202 37.645 38.460 -1.022 0.000 0.983 381 Y HN 0.230 nan 8.280 nan 0.000 0.524 382 R N -0.375 119.888 120.500 -0.395 0.000 2.235 382 R HA -0.009 4.331 4.340 -0.001 0.000 0.213 382 R C 0.405 176.513 176.300 -0.320 0.000 1.059 382 R CA 0.902 56.770 56.100 -0.387 0.000 0.997 382 R CB -0.534 29.640 30.300 -0.211 0.000 0.884 382 R HN 0.157 nan 8.270 nan 0.000 0.462 383 T N 1.753 116.148 114.554 -0.264 0.000 2.853 383 T HA -0.035 4.314 4.350 -0.001 0.000 0.298 383 T C -0.147 174.422 174.700 -0.218 0.000 0.978 383 T CA -0.045 61.935 62.100 -0.199 0.000 1.152 383 T CB 0.859 69.638 68.868 -0.149 0.000 0.914 383 T HN -0.000 nan 8.240 nan 0.000 0.539 384 D N 3.402 123.694 120.400 -0.180 0.000 2.374 384 D HA 0.091 4.730 4.640 -0.001 0.000 0.240 384 D C 1.133 177.357 176.300 -0.127 0.000 1.229 384 D CA -0.705 53.199 54.000 -0.160 0.000 0.895 384 D CB 0.407 41.129 40.800 -0.130 0.000 1.046 384 D HN 0.342 nan 8.370 nan 0.000 0.498 385 V N 1.652 121.490 119.914 -0.128 0.000 3.646 385 V HA 0.108 4.228 4.120 -0.001 0.000 0.277 385 V C 1.719 177.776 176.094 -0.062 0.000 1.274 385 V CA 0.103 62.344 62.300 -0.098 0.000 1.164 385 V CB -0.057 31.701 31.823 -0.108 0.000 0.926 385 V HN 0.287 nan 8.190 nan 0.000 0.442 386 E N 2.532 122.696 120.200 -0.060 0.000 2.097 386 E HA -0.129 4.221 4.350 -0.001 0.000 0.196 386 E C -0.145 176.459 176.600 0.007 0.000 1.000 386 E CA 2.353 58.733 56.400 -0.033 0.000 0.804 386 E CB -1.466 28.211 29.700 -0.038 0.000 0.740 386 E HN 0.508 nan 8.360 nan 0.000 0.454 387 P HA -0.110 nan 4.420 nan 0.000 0.216 387 P C 1.243 178.673 177.300 0.216 0.000 1.150 387 P CA 1.286 64.454 63.100 0.114 0.000 0.837 387 P CB -0.022 31.737 31.700 0.099 0.000 0.786 388 I N -1.844 118.817 120.570 0.151 0.000 2.252 388 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 388 I C 1.895 178.073 176.117 0.103 0.000 1.102 388 I CA 1.048 62.465 61.300 0.194 0.000 1.385 388 I CB -0.556 37.485 38.000 0.067 0.000 1.064 388 I HN -0.100 nan 8.210 nan 0.000 0.414 389 L N 0.788 122.036 121.223 0.041 0.000 2.046 389 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 389 L C 2.701 179.582 176.870 0.019 0.000 1.077 389 L CA 2.141 56.991 54.840 0.016 0.000 0.747 389 L CB -1.382 40.669 42.059 -0.013 0.000 0.896 389 L HN 0.192 nan 8.230 nan 0.000 0.432 390 A N -0.864 121.969 122.820 0.020 0.000 1.898 390 A HA -0.223 4.096 4.320 -0.001 0.000 0.216 390 A C 2.322 179.897 177.584 -0.016 0.000 1.181 390 A CA 1.681 53.721 52.037 0.006 0.000 0.620 390 A CB -0.500 18.505 19.000 0.009 0.000 0.819 390 A HN 0.397 nan 8.150 nan 0.000 0.442 391 E N 0.318 120.500 120.200 -0.030 0.000 2.106 391 E HA -0.016 4.334 4.350 -0.001 0.000 0.192 391 E C 1.954 178.506 176.600 -0.081 0.000 0.984 391 E CA 1.458 57.778 56.400 -0.134 0.000 0.806 391 E CB -0.455 29.023 29.700 -0.370 0.000 0.750 391 E HN 0.450 nan 8.360 nan 0.000 0.458 392 A N 0.913 123.724 122.820 -0.015 0.000 1.877 392 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 392 A C 2.243 179.836 177.584 0.016 0.000 1.186 392 A CA 1.711 53.756 52.037 0.012 0.000 0.620 392 A CB -0.493 18.532 19.000 0.041 0.000 0.822 392 A HN 0.215 nan 8.150 nan 0.000 0.443 393 R N -1.099 119.410 120.500 0.014 0.000 2.070 393 R HA -0.126 4.213 4.340 -0.001 0.000 0.233 393 R C 2.572 178.876 176.300 0.007 0.000 1.137 393 R CA 1.546 57.657 56.100 0.019 0.000 0.945 393 R CB -0.382 29.926 30.300 0.013 0.000 0.845 393 R HN 0.552 nan 8.270 nan 0.000 0.430 394 R N 1.128 121.619 120.500 -0.015 0.000 2.096 394 R HA -0.147 4.192 4.340 -0.001 0.000 0.240 394 R C 2.151 178.437 176.300 -0.022 0.000 1.139 394 R CA 1.668 57.753 56.100 -0.025 0.000 0.952 394 R CB -0.058 30.210 30.300 -0.052 0.000 0.854 394 R HN 0.175 nan 8.270 nan 0.000 0.436 395 R N -0.692 119.789 120.500 -0.031 0.000 2.189 395 R HA -0.047 4.293 4.340 -0.001 0.000 0.223 395 R C 1.494 177.799 176.300 0.008 0.000 1.092 395 R CA 1.597 57.684 56.100 -0.021 0.000 0.989 395 R CB 0.058 30.339 30.300 -0.032 0.000 0.876 395 R HN 0.379 nan 8.270 nan 0.000 0.457 396 T N -3.787 110.781 114.554 0.023 0.000 3.134 396 T HA 0.308 4.658 4.350 -0.001 0.000 0.260 396 T C 1.092 175.820 174.700 0.046 0.000 1.027 396 T CA 0.226 62.352 62.100 0.043 0.000 0.913 396 T CB 1.172 70.081 68.868 0.067 0.000 1.046 396 T HN 0.317 nan 8.240 nan 0.000 0.553 397 G N 0.076 108.901 108.800 0.041 0.000 2.157 397 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.239 397 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.239 397 G C 0.437 175.374 174.900 0.061 0.000 0.982 397 G CA -0.282 44.855 45.100 0.061 0.000 0.650 397 G HN 0.989 nan 8.290 nan 0.000 0.527 398 G N -0.459 108.365 108.800 0.039 0.000 2.583 398 G HA2 0.834 4.793 3.960 -0.001 0.000 0.280 398 G HA3 0.834 4.793 3.960 -0.001 0.000 0.280 398 G C 0.166 175.079 174.900 0.022 0.000 1.376 398 G CA 0.188 45.307 45.100 0.032 0.000 1.043 398 G HN 1.520 nan 8.290 nan 0.000 0.538 399 A N -1.272 121.558 122.820 0.017 0.000 2.317 399 A HA 0.569 4.888 4.320 -0.001 0.000 0.327 399 A C 1.149 178.736 177.584 0.005 0.000 1.178 399 A CA -0.505 51.540 52.037 0.012 0.000 0.817 399 A CB 1.644 20.656 19.000 0.020 0.000 1.189 399 A HN 0.667 nan 8.150 nan 0.000 0.489 400 V N 1.306 121.220 119.914 -0.000 0.000 2.282 400 V HA -0.129 3.991 4.120 -0.001 0.000 0.249 400 V C 0.860 176.954 176.094 -0.000 0.000 1.057 400 V CA 2.499 64.796 62.300 -0.004 0.000 1.032 400 V CB -0.302 31.516 31.823 -0.008 0.000 0.645 400 V HN 0.899 nan 8.190 nan 0.000 0.447 401 D N -1.524 118.878 120.400 0.005 0.000 2.408 401 D HA 0.244 4.883 4.640 -0.001 0.000 0.261 401 D C -1.944 174.366 176.300 0.016 0.000 1.190 401 D CA -2.125 51.879 54.000 0.007 0.000 0.910 401 D CB 1.948 42.754 40.800 0.009 0.000 1.097 401 D HN 0.051 nan 8.370 nan 0.000 0.522 402 P HA -0.181 nan 4.420 nan 0.000 0.214 402 P C 1.661 178.986 177.300 0.043 0.000 1.169 402 P CA 0.738 63.845 63.100 0.013 0.000 0.908 402 P CB 0.452 32.141 31.700 -0.018 0.000 0.791 403 V N -0.208 119.724 119.914 0.030 0.000 2.407 403 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 403 V C 2.456 178.625 176.094 0.126 0.000 1.055 403 V CA 2.195 64.540 62.300 0.075 0.000 1.049 403 V CB -1.769 30.075 31.823 0.035 0.000 0.662 403 V HN 0.112 nan 8.190 nan 0.000 0.455 404 A N -0.256 122.607 122.820 0.072 0.000 1.902 404 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 404 A C 2.404 180.025 177.584 0.063 0.000 1.181 404 A CA 2.457 54.529 52.037 0.058 0.000 0.623 404 A CB -0.918 18.102 19.000 0.032 0.000 0.818 404 A HN 0.497 nan 8.150 nan 0.000 0.443 405 T N -1.579 113.015 114.554 0.067 0.000 2.821 405 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 405 T C 1.779 176.531 174.700 0.088 0.000 1.046 405 T CA 1.533 63.669 62.100 0.060 0.000 1.139 405 T CB -0.416 68.483 68.868 0.051 0.000 0.871 405 T HN 0.576 nan 8.240 nan 0.000 0.454 406 Y N 2.136 122.433 120.300 -0.005 0.000 2.128 406 Y HA -0.150 4.399 4.550 -0.001 0.000 0.284 406 Y C 2.443 178.364 175.900 0.035 0.000 1.154 406 Y CA 1.370 59.469 58.100 -0.000 0.000 1.149 406 Y CB -0.186 38.262 38.460 -0.020 0.000 0.976 406 Y HN -0.017 nan 8.280 nan 0.000 0.505 407 R N -0.150 120.351 120.500 0.002 0.000 2.115 407 R HA -0.015 4.324 4.340 -0.001 0.000 0.226 407 R C 2.484 178.734 176.300 -0.083 0.000 1.100 407 R CA 0.999 57.045 56.100 -0.090 0.000 0.980 407 R CB -0.513 29.808 30.300 0.035 0.000 0.875 407 R HN 0.425 nan 8.270 nan 0.000 0.445 408 A N 0.496 123.296 122.820 -0.034 0.000 2.067 408 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 408 A C 2.043 179.604 177.584 -0.038 0.000 1.158 408 A CA 1.681 53.703 52.037 -0.026 0.000 0.661 408 A CB -0.419 18.578 19.000 -0.005 0.000 0.801 408 A HN 0.411 nan 8.150 nan 0.000 0.452 409 S N -1.615 114.051 115.700 -0.056 0.000 2.470 409 S HA 0.309 4.779 4.470 -0.001 0.000 0.225 409 S C 1.551 176.120 174.600 -0.052 0.000 1.006 409 S CA 1.163 59.341 58.200 -0.036 0.000 0.934 409 S CB -0.560 62.635 63.200 -0.007 0.000 0.778 409 S HN 1.893 nan 8.310 nan 0.000 0.517 410 G N 0.519 109.249 108.800 -0.116 0.000 2.179 410 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.257 410 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.257 410 G C 0.244 175.077 174.900 -0.112 0.000 1.010 410 G CA 0.523 45.556 45.100 -0.113 0.000 0.736 410 G HN 0.628 nan 8.290 nan 0.000 0.513 411 Y N 0.857 120.985 120.300 -0.285 0.000 2.114 411 Y HA -0.230 4.319 4.550 -0.001 0.000 0.282 411 Y C 2.789 178.610 175.900 -0.132 0.000 1.165 411 Y CA 2.869 60.851 58.100 -0.196 0.000 1.148 411 Y CB -0.195 38.143 38.460 -0.204 0.000 0.972 411 Y HN 0.345 nan 8.280 nan 0.000 0.504 412 R N 0.877 121.300 120.500 -0.128 0.000 2.083 412 R HA -0.149 4.191 4.340 -0.001 0.000 0.237 412 R C 2.319 178.554 176.300 -0.109 0.000 1.137 412 R CA 1.865 57.934 56.100 -0.051 0.000 0.951 412 R CB -1.289 29.040 30.300 0.048 0.000 0.851 412 R HN 0.416 nan 8.270 nan 0.000 0.434 413 A N 0.908 123.666 122.820 -0.103 0.000 1.933 413 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 413 A C 2.278 179.797 177.584 -0.109 0.000 1.175 413 A CA 1.688 53.676 52.037 -0.081 0.000 0.628 413 A CB -0.688 18.273 19.000 -0.065 0.000 0.814 413 A HN 0.462 nan 8.150 nan 0.000 0.444 414 R N 0.235 120.639 120.500 -0.160 0.000 2.082 414 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 414 R C 2.062 178.240 176.300 -0.203 0.000 1.136 414 R CA 2.593 58.586 56.100 -0.178 0.000 0.935 414 R CB -0.706 29.464 30.300 -0.217 0.000 0.842 414 R HN 0.528 nan 8.270 nan 0.000 0.430 415 V N -1.435 118.286 119.914 -0.321 0.000 2.759 415 V HA 0.044 4.163 4.120 -0.001 0.000 0.256 415 V C 2.306 178.331 176.094 -0.116 0.000 1.080 415 V CA 1.519 63.675 62.300 -0.240 0.000 1.101 415 V CB -0.912 30.723 31.823 -0.312 0.000 0.698 415 V HN 0.409 nan 8.190 nan 0.000 0.477 416 A N 0.552 123.313 122.820 -0.098 0.000 2.015 416 A HA 0.214 4.533 4.320 -0.001 0.000 0.219 416 A C 2.370 179.931 177.584 -0.037 0.000 1.163 416 A CA 1.890 53.900 52.037 -0.046 0.000 0.646 416 A CB -0.670 18.310 19.000 -0.033 0.000 0.806 416 A HN 0.927 nan 8.150 nan 0.000 0.448 417 A N -0.307 122.482 122.820 -0.051 0.000 2.030 417 A HA 0.061 4.381 4.320 -0.001 0.000 0.215 417 A C 1.758 179.323 177.584 -0.031 0.000 1.164 417 A CA 1.026 53.042 52.037 -0.036 0.000 0.697 417 A CB -0.185 18.791 19.000 -0.040 0.000 0.827 417 A HN 0.588 nan 8.150 nan 0.000 0.457 418 E N -0.275 119.899 120.200 -0.042 0.000 2.318 418 E HA 0.031 4.380 4.350 -0.001 0.000 0.193 418 E C 0.244 176.836 176.600 -0.013 0.000 0.998 418 E CA 0.185 56.568 56.400 -0.028 0.000 0.859 418 E CB 0.164 29.841 29.700 -0.039 0.000 0.812 418 E HN 0.458 nan 8.360 nan 0.000 0.492 419 R N 1.279 121.771 120.500 -0.013 0.000 2.664 419 R HA 0.345 4.685 4.340 -0.001 0.000 0.286 419 R C -2.419 173.885 176.300 0.007 0.000 0.967 419 R CA -2.058 54.044 56.100 0.004 0.000 0.933 419 R CB 0.796 31.102 30.300 0.009 0.000 1.146 419 R HN -0.120 nan 8.270 nan 0.000 0.468 420 P HA 0.019 nan 4.420 nan 0.000 0.278 420 P C -0.969 176.341 177.300 0.017 0.000 1.270 420 P CA -0.041 63.068 63.100 0.015 0.000 0.800 420 P CB 0.490 32.202 31.700 0.019 0.000 1.142 421 A N 0.000 122.831 122.820 0.018 0.000 2.254 421 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 421 A CA 0.000 52.050 52.037 0.021 0.000 0.836 421 A CB 0.000 19.012 19.000 0.020 0.000 0.831 421 A HN 0.000 nan 8.150 nan 0.000 0.486