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 3lww_1_C DATA FIRST_RESID 1 DATA SEQUENCE MELITILEKT VSPDRLELEA AQKFLERAAV ENLPTFLVEL SRVLANPGNS DATA SEQUENCE QVARVAAGLQ IKNSLTSKDP DIKAQYQQRW LAIDANARRE VKNYVLQTLG DATA SEQUENCE TETYRPSSAS QCVAGIACAE IPVNQWPELI PQLVANVTNP NSTEHMKEST DATA SEQUENCE LEAIGYICQD IDPEQLQDKS NEILTAIIQG MRKEEPSNNV KLAATNALLN DATA SEQUENCE SLEFTKANFD KESERHFIMQ VVCEATQCPD TRVRVAALQN LVKIMSLYYQ DATA SEQUENCE YMETYMGPAL FAITIEAMKS DIDEVALQGI EFWSNVCDEE MDLAIEASEA DATA SEQUENCE AEQGRPPEHT SKFYAKGALQ YLVPILTQTL TKQDENDDDD DWNPCKAAGV DATA SEQUENCE CLMLLATCCE DDIVPHVLPF IKEHIKNPDW RYRDAAVMAF GCILEGPEPS DATA SEQUENCE QLKPLVIQAM PTLIELMKDP SVVVRDTAAW TVGRICELLP EAAINDVYLA DATA SEQUENCE PLLQCLIEGL SAXXRVASNV CWAFSSLAEA AYEAADVADD QEEPATYCLS DATA SEQUENCE SSFELIVQKL LETTDRPDGH QNNLRSSAYE SLMEIVKNSA KDCYPAVQKT DATA SEQUENCE TLVIMERLQQ VLQMESHIQS TSDRIQFNDL QSLLCATLQN VLRKVQHQDA DATA SEQUENCE LQISDVVMAS LLRMFQSTAG SGGVQEDALM AVSTLVEVLG GEFLKYMEAF DATA SEQUENCE KPFLGIGLKN YAEYQVCLAA VGLVGDLCRA LQSNIIPFCD EVMQLLLENL DATA SEQUENCE GNENVHRSVK PQILSVFGDI ALAIGGEFKK YLEVVLNTLQ QASQAQVDKS DATA SEQUENCE DYDMVDYLNE LRESCLEAYT GIVQGLKGDQ ENVHPDVMLV QPRVEFILSF DATA SEQUENCE IDHIAGDEDH TDGVVACAAG LIGDLCTAFG KDVLKLVEAR PMIHELLTEG DATA SEQUENCE RRSKTNKAKT LATWATKELR KLK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.042 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.541 32.600 -0.099 0.000 1.302 2 E N 1.293 121.457 120.200 -0.059 0.000 2.442 2 E HA 0.228 4.580 4.350 0.003 0.000 0.262 2 E C 0.689 177.249 176.600 -0.067 0.000 1.004 2 E CA 0.233 56.617 56.400 -0.027 0.000 0.928 2 E CB 0.496 30.178 29.700 -0.030 0.000 0.937 2 E HN 0.655 nan 8.360 nan 0.000 0.446 3 L N 3.856 125.104 121.223 0.042 0.000 2.131 3 L HA -0.171 4.170 4.340 0.003 0.000 0.210 3 L C 1.600 178.479 176.870 0.014 0.000 1.092 3 L CA 0.718 55.614 54.840 0.093 0.000 0.759 3 L CB -0.102 42.063 42.059 0.177 0.000 0.903 3 L HN 0.705 nan 8.230 nan 0.000 0.435 4 I N -0.416 120.148 120.570 -0.008 0.000 2.179 4 I HA -0.298 3.874 4.170 0.003 0.000 0.242 4 I C 2.456 178.542 176.117 -0.051 0.000 1.088 4 I CA 1.702 62.988 61.300 -0.024 0.000 1.357 4 I CB -0.740 37.246 38.000 -0.022 0.000 1.051 4 I HN 0.174 nan 8.210 nan 0.000 0.409 5 T N 0.834 115.339 114.554 -0.082 0.000 2.684 5 T HA -0.131 4.221 4.350 0.003 0.000 0.267 5 T C 1.996 176.613 174.700 -0.138 0.000 1.036 5 T CA 1.315 63.352 62.100 -0.105 0.000 1.148 5 T CB -0.188 68.606 68.868 -0.124 0.000 0.863 5 T HN 0.103 nan 8.240 nan 0.000 0.436 6 I N 1.037 121.474 120.570 -0.222 0.000 2.226 6 I HA -0.065 4.107 4.170 0.003 0.000 0.245 6 I C 2.355 178.426 176.117 -0.077 0.000 1.100 6 I CA 1.185 62.338 61.300 -0.245 0.000 1.374 6 I CB -1.275 36.423 38.000 -0.503 0.000 1.057 6 I HN 0.277 nan 8.210 nan 0.000 0.413 7 L N 0.329 121.534 121.223 -0.029 0.000 2.131 7 L HA -0.203 4.138 4.340 0.003 0.000 0.210 7 L C 2.302 179.168 176.870 -0.006 0.000 1.092 7 L CA 1.338 56.185 54.840 0.013 0.000 0.759 7 L CB -0.456 41.614 42.059 0.020 0.000 0.903 7 L HN 0.273 nan 8.230 nan 0.000 0.435 8 E N -0.572 119.611 120.200 -0.028 0.000 2.358 8 E HA -0.106 4.246 4.350 0.003 0.000 0.195 8 E C 1.546 178.129 176.600 -0.028 0.000 1.010 8 E CA 0.315 56.698 56.400 -0.029 0.000 0.856 8 E CB 0.261 29.939 29.700 -0.036 0.000 0.795 8 E HN 0.175 nan 8.360 nan 0.000 0.504 9 K N 0.206 120.586 120.400 -0.033 0.000 2.404 9 K HA 0.028 4.350 4.320 0.003 0.000 0.194 9 K C 1.732 178.327 176.600 -0.008 0.000 1.023 9 K CA 0.629 56.900 56.287 -0.027 0.000 1.094 9 K CB 0.307 32.780 32.500 -0.045 0.000 0.841 9 K HN 0.216 nan 8.250 nan 0.000 0.523 10 T N -1.872 112.683 114.554 0.003 0.000 2.995 10 T HA -0.063 4.289 4.350 0.003 0.000 0.269 10 T C 1.743 176.451 174.700 0.014 0.000 1.091 10 T CA 0.945 63.057 62.100 0.019 0.000 1.128 10 T CB -0.344 68.544 68.868 0.034 0.000 0.891 10 T HN 0.007 nan 8.240 nan 0.000 0.492 11 V N -1.298 118.618 119.914 0.002 0.000 3.647 11 V HA 0.358 4.480 4.120 0.003 0.000 0.279 11 V C 0.994 177.086 176.094 -0.003 0.000 1.314 11 V CA -0.390 61.909 62.300 -0.002 0.000 1.125 11 V CB -0.696 31.119 31.823 -0.013 0.000 0.907 11 V HN 0.365 nan 8.190 nan 0.000 0.434 12 S N 2.452 118.150 115.700 -0.003 0.000 2.546 12 S HA 0.223 4.694 4.470 0.003 0.000 0.290 12 S C -1.109 173.492 174.600 0.001 0.000 1.262 12 S CA -0.472 57.725 58.200 -0.004 0.000 1.083 12 S CB 0.885 64.081 63.200 -0.006 0.000 0.859 12 S HN 0.468 nan 8.310 nan 0.000 0.495 13 P HA 0.089 nan 4.420 nan 0.000 0.239 13 P C -0.432 176.871 177.300 0.005 0.000 1.184 13 P CA 0.398 63.500 63.100 0.003 0.000 0.760 13 P CB 0.001 31.701 31.700 0.001 0.000 0.884 14 D N -0.863 119.540 120.400 0.005 0.000 2.193 14 D HA 0.135 4.777 4.640 0.003 0.000 0.244 14 D C 1.245 177.551 176.300 0.010 0.000 1.064 14 D CA -0.635 53.368 54.000 0.006 0.000 0.845 14 D CB 1.214 42.016 40.800 0.003 0.000 1.148 14 D HN -0.350 nan 8.370 nan 0.000 0.464 15 R N 3.002 123.509 120.500 0.012 0.000 2.082 15 R HA -0.120 4.222 4.340 0.003 0.000 0.234 15 R C 1.926 178.236 176.300 0.017 0.000 1.136 15 R CA 1.440 57.549 56.100 0.016 0.000 0.935 15 R CB -0.986 29.323 30.300 0.016 0.000 0.842 15 R HN 0.520 nan 8.270 nan 0.000 0.430 16 L N 0.976 122.208 121.223 0.014 0.000 2.042 16 L HA -0.143 4.199 4.340 0.003 0.000 0.210 16 L C 2.065 178.944 176.870 0.015 0.000 1.076 16 L CA 2.320 57.169 54.840 0.015 0.000 0.749 16 L CB -0.700 41.366 42.059 0.012 0.000 0.893 16 L HN 0.429 nan 8.230 nan 0.000 0.432 17 E N -1.082 119.124 120.200 0.010 0.000 2.268 17 E HA -0.205 4.147 4.350 0.003 0.000 0.195 17 E C 2.190 178.796 176.600 0.010 0.000 0.995 17 E CA 0.990 57.393 56.400 0.006 0.000 0.836 17 E CB -0.100 29.599 29.700 -0.001 0.000 0.763 17 E HN 0.611 nan 8.360 nan 0.000 0.491 18 L N 0.171 121.403 121.223 0.016 0.000 2.145 18 L HA -0.051 4.291 4.340 0.003 0.000 0.201 18 L C 2.061 178.952 176.870 0.034 0.000 1.075 18 L CA 0.682 55.536 54.840 0.023 0.000 0.773 18 L CB -0.079 41.994 42.059 0.023 0.000 0.936 18 L HN 0.072 nan 8.230 nan 0.000 0.451 19 E N 0.455 120.675 120.200 0.033 0.000 2.171 19 E HA -0.256 4.095 4.350 0.003 0.000 0.197 19 E C 2.007 178.635 176.600 0.047 0.000 0.997 19 E CA 1.263 57.687 56.400 0.039 0.000 0.810 19 E CB -0.233 29.487 29.700 0.033 0.000 0.738 19 E HN 0.611 nan 8.360 nan 0.000 0.467 20 A N 1.779 124.625 122.820 0.043 0.000 1.835 20 A HA -0.076 4.246 4.320 0.003 0.000 0.215 20 A C 2.496 180.131 177.584 0.085 0.000 1.199 20 A CA 2.195 54.265 52.037 0.055 0.000 0.615 20 A CB -0.887 18.134 19.000 0.035 0.000 0.838 20 A HN 0.283 nan 8.150 nan 0.000 0.444 21 A N -1.267 121.589 122.820 0.059 0.000 1.978 21 A HA -0.223 4.099 4.320 0.003 0.000 0.220 21 A C 2.124 179.788 177.584 0.133 0.000 1.170 21 A CA 2.294 54.374 52.037 0.071 0.000 0.636 21 A CB -0.522 18.487 19.000 0.014 0.000 0.810 21 A HN 0.596 nan 8.150 nan 0.000 0.448 22 Q N 0.106 119.964 119.800 0.097 0.000 2.050 22 Q HA -0.128 4.214 4.340 0.003 0.000 0.202 22 Q C 1.995 178.052 176.000 0.094 0.000 0.980 22 Q CA 1.883 57.743 55.803 0.094 0.000 0.840 22 Q CB -0.197 28.582 28.738 0.069 0.000 0.898 22 Q HN 0.492 nan 8.270 nan 0.000 0.424 23 K N -0.578 119.874 120.400 0.086 0.000 2.147 23 K HA -0.131 4.191 4.320 0.003 0.000 0.205 23 K C 1.946 178.579 176.600 0.056 0.000 1.049 23 K CA 0.976 57.298 56.287 0.057 0.000 0.936 23 K CB -0.343 32.188 32.500 0.051 0.000 0.722 23 K HN 0.267 nan 8.250 nan 0.000 0.446 24 F N 1.524 121.460 119.950 -0.024 0.000 2.074 24 F HA -0.080 4.449 4.527 0.003 0.000 0.293 24 F C 1.903 177.656 175.800 -0.079 0.000 1.116 24 F CA 1.083 59.058 58.000 -0.041 0.000 1.212 24 F CB -0.299 38.692 39.000 -0.016 0.000 0.998 24 F HN -0.152 nan 8.300 nan 0.000 0.471 25 L N 0.037 121.436 121.223 0.293 0.000 2.549 25 L HA -0.159 4.182 4.340 0.003 0.000 0.230 25 L C 1.658 178.474 176.870 -0.091 0.000 1.162 25 L CA 1.098 56.038 54.840 0.167 0.000 0.834 25 L CB -0.593 41.641 42.059 0.291 0.000 0.947 25 L HN 0.295 nan 8.230 nan 0.000 0.452 26 E N -0.223 119.918 120.200 -0.099 0.000 2.474 26 E HA -0.069 4.283 4.350 0.003 0.000 0.195 26 E C 1.989 178.450 176.600 -0.232 0.000 1.039 26 E CA -0.128 56.197 56.400 -0.125 0.000 0.881 26 E CB 0.398 30.077 29.700 -0.036 0.000 0.970 26 E HN 0.473 nan 8.360 nan 0.000 0.486 27 R N 0.099 120.387 120.500 -0.353 0.000 2.052 27 R HA 0.125 4.467 4.340 0.003 0.000 0.226 27 R C 2.093 178.130 176.300 -0.438 0.000 1.145 27 R CA 1.354 57.223 56.100 -0.385 0.000 0.952 27 R CB -0.554 29.445 30.300 -0.503 0.000 0.847 27 R HN -0.005 nan 8.270 nan 0.000 0.431 28 A N 0.947 123.364 122.820 -0.672 0.000 2.066 28 A HA 0.213 4.535 4.320 0.003 0.000 0.218 28 A C 2.346 179.529 177.584 -0.669 0.000 1.157 28 A CA 1.032 52.651 52.037 -0.697 0.000 0.670 28 A CB -0.608 17.867 19.000 -0.874 0.000 0.804 28 A HN 0.566 nan 8.150 nan 0.000 0.453 29 A N -0.776 121.605 122.820 -0.732 0.000 2.121 29 A HA 0.193 4.514 4.320 0.003 0.000 0.218 29 A C 1.435 178.951 177.584 -0.114 0.000 1.154 29 A CA 1.680 53.582 52.037 -0.226 0.000 0.679 29 A CB -0.171 18.780 19.000 -0.081 0.000 0.795 29 A HN 0.600 nan 8.150 nan 0.000 0.458 30 V N -1.618 118.195 119.914 -0.168 0.000 3.382 30 V HA 0.120 4.242 4.120 0.003 0.000 0.296 30 V C 1.451 177.478 176.094 -0.113 0.000 1.529 30 V CA 0.531 62.766 62.300 -0.109 0.000 1.048 30 V CB 0.253 32.019 31.823 -0.096 0.000 0.878 30 V HN 0.631 nan 8.190 nan 0.000 0.442 31 E N 1.468 121.578 120.200 -0.149 0.000 2.075 31 E HA 0.108 4.460 4.350 0.003 0.000 0.193 31 E C 0.774 177.326 176.600 -0.080 0.000 0.950 31 E CA 0.345 56.669 56.400 -0.126 0.000 0.859 31 E CB 0.361 29.956 29.700 -0.175 0.000 0.846 31 E HN 0.498 nan 8.360 nan 0.000 0.467 32 N N 0.882 119.543 118.700 -0.064 0.000 2.707 32 N HA 0.043 4.784 4.740 0.003 0.000 0.249 32 N C 0.365 175.910 175.510 0.057 0.000 1.299 32 N CA -0.133 52.911 53.050 -0.009 0.000 0.769 32 N CB 0.955 39.440 38.487 -0.003 0.000 1.236 32 N HN 0.097 nan 8.380 nan 0.000 0.524 33 L N 4.837 126.098 121.223 0.064 0.000 1.997 33 L HA -0.003 4.339 4.340 0.003 0.000 0.216 33 L C -1.021 175.957 176.870 0.180 0.000 1.074 33 L CA 2.356 57.293 54.840 0.163 0.000 0.763 33 L CB -0.977 41.147 42.059 0.107 0.000 0.890 33 L HN 0.393 nan 8.230 nan 0.000 0.434 34 P HA -0.198 nan 4.420 nan 0.000 0.213 34 P C 1.840 179.182 177.300 0.070 0.000 1.170 34 P CA 2.369 65.494 63.100 0.042 0.000 0.902 34 P CB -0.321 31.364 31.700 -0.026 0.000 0.789 35 T N -2.258 112.340 114.554 0.073 0.000 2.929 35 T HA -0.155 4.197 4.350 0.003 0.000 0.271 35 T C 1.510 176.289 174.700 0.131 0.000 1.085 35 T CA 0.661 62.807 62.100 0.076 0.000 1.125 35 T CB -0.831 68.074 68.868 0.061 0.000 0.874 35 T HN -0.119 nan 8.240 nan 0.000 0.494 36 F N 1.723 121.681 119.950 0.012 0.000 2.084 36 F HA 0.131 4.660 4.527 0.003 0.000 0.296 36 F C 1.808 177.628 175.800 0.034 0.000 1.111 36 F CA 1.102 59.113 58.000 0.019 0.000 1.224 36 F CB -0.738 38.269 39.000 0.012 0.000 0.991 36 F HN 0.131 nan 8.300 nan 0.000 0.471 37 L N -0.463 120.653 121.223 -0.179 0.000 2.127 37 L HA -0.223 4.118 4.340 0.003 0.000 0.211 37 L C 2.335 179.116 176.870 -0.148 0.000 1.089 37 L CA 0.897 55.591 54.840 -0.243 0.000 0.757 37 L CB -0.991 41.093 42.059 0.041 0.000 0.899 37 L HN 0.073 nan 8.230 nan 0.000 0.434 38 V N -0.092 119.790 119.914 -0.054 0.000 2.244 38 V HA -0.280 3.841 4.120 0.003 0.000 0.244 38 V C 2.311 178.338 176.094 -0.113 0.000 1.042 38 V CA 1.951 64.228 62.300 -0.038 0.000 1.006 38 V CB -0.432 31.398 31.823 0.012 0.000 0.641 38 V HN 0.470 nan 8.190 nan 0.000 0.446 39 E N -0.535 119.613 120.200 -0.086 0.000 2.515 39 E HA -0.110 4.241 4.350 0.003 0.000 0.201 39 E C 1.877 178.395 176.600 -0.137 0.000 1.071 39 E CA 0.377 56.725 56.400 -0.087 0.000 0.880 39 E CB 0.012 29.719 29.700 0.012 0.000 0.828 39 E HN 0.578 nan 8.360 nan 0.000 0.540 40 L N -0.464 120.630 121.223 -0.216 0.000 2.221 40 L HA -0.038 4.304 4.340 0.003 0.000 0.202 40 L C 2.557 179.311 176.870 -0.194 0.000 1.074 40 L CA 0.820 55.523 54.840 -0.229 0.000 0.795 40 L CB -0.192 41.646 42.059 -0.368 0.000 0.960 40 L HN 0.141 nan 8.230 nan 0.000 0.458 41 S N -0.001 115.580 115.700 -0.199 0.000 2.423 41 S HA -0.149 4.323 4.470 0.003 0.000 0.231 41 S C 1.993 176.361 174.600 -0.388 0.000 1.014 41 S CA 0.608 58.700 58.200 -0.181 0.000 0.965 41 S CB -0.374 62.783 63.200 -0.072 0.000 0.785 41 S HN 0.339 nan 8.310 nan 0.000 0.495 42 R N 0.594 120.767 120.500 -0.544 0.000 2.148 42 R HA 0.066 4.408 4.340 0.003 0.000 0.227 42 R C 1.931 178.021 176.300 -0.351 0.000 1.103 42 R CA 1.284 56.938 56.100 -0.742 0.000 0.983 42 R CB -0.503 29.498 30.300 -0.498 0.000 0.874 42 R HN 0.388 nan 8.270 nan 0.000 0.451 43 V N 0.718 120.504 119.914 -0.213 0.000 3.052 43 V HA -0.103 4.019 4.120 0.003 0.000 0.254 43 V C 1.875 177.922 176.094 -0.077 0.000 1.100 43 V CA 0.756 62.989 62.300 -0.112 0.000 1.112 43 V CB -0.143 31.634 31.823 -0.078 0.000 0.738 43 V HN 0.183 nan 8.190 nan 0.000 0.469 44 L N 1.071 122.241 121.223 -0.088 0.000 2.095 44 L HA 0.128 4.470 4.340 0.003 0.000 0.204 44 L C 2.318 179.197 176.870 0.014 0.000 1.080 44 L CA 2.300 57.122 54.840 -0.030 0.000 0.759 44 L CB -0.720 41.322 42.059 -0.028 0.000 0.914 44 L HN 0.190 nan 8.230 nan 0.000 0.439 45 A N -1.030 121.809 122.820 0.032 0.000 1.935 45 A HA -0.069 4.253 4.320 0.003 0.000 0.214 45 A C 1.351 178.996 177.584 0.102 0.000 1.178 45 A CA 0.356 52.472 52.037 0.132 0.000 0.640 45 A CB -0.849 18.375 19.000 0.372 0.000 0.825 45 A HN 0.579 nan 8.150 nan 0.000 0.447 46 N N 1.110 119.842 118.700 0.053 0.000 2.418 46 N HA 0.066 4.808 4.740 0.003 0.000 0.277 46 N C -2.027 173.501 175.510 0.031 0.000 1.317 46 N CA -1.004 52.072 53.050 0.044 0.000 0.922 46 N CB 0.796 39.285 38.487 0.003 0.000 1.194 46 N HN 0.066 nan 8.380 nan 0.000 0.485 47 P HA -0.016 nan 4.420 nan 0.000 0.230 47 P C 1.102 178.410 177.300 0.014 0.000 1.158 47 P CA 0.425 63.540 63.100 0.025 0.000 0.769 47 P CB 0.221 31.937 31.700 0.026 0.000 0.807 48 G N 1.179 109.987 108.800 0.013 0.000 2.524 48 G HA2 -0.186 3.776 3.960 0.003 0.000 0.215 48 G HA3 -0.186 3.776 3.960 0.003 0.000 0.215 48 G C 0.574 175.474 174.900 -0.000 0.000 1.239 48 G CA -0.003 45.101 45.100 0.007 0.000 0.798 48 G HN 0.372 nan 8.290 nan 0.000 0.557 49 N N 1.271 119.969 118.700 -0.004 0.000 2.329 49 N HA 0.066 4.808 4.740 0.003 0.000 0.237 49 N C 0.580 176.084 175.510 -0.010 0.000 1.258 49 N CA 0.556 53.600 53.050 -0.010 0.000 0.866 49 N CB 0.390 38.869 38.487 -0.014 0.000 1.102 49 N HN 0.401 nan 8.380 nan 0.000 0.440 50 S N -0.372 115.319 115.700 -0.015 0.000 2.598 50 S HA -0.120 4.351 4.470 0.003 0.000 0.256 50 S C 1.145 175.733 174.600 -0.020 0.000 1.350 50 S CA -0.394 57.794 58.200 -0.019 0.000 0.984 50 S CB 1.065 64.250 63.200 -0.026 0.000 0.930 50 S HN 0.826 nan 8.310 nan 0.000 0.577 51 Q N -0.279 119.503 119.800 -0.029 0.000 2.084 51 Q HA -0.111 4.230 4.340 0.003 0.000 0.202 51 Q C 1.902 177.874 176.000 -0.047 0.000 0.978 51 Q CA 1.814 57.596 55.803 -0.035 0.000 0.844 51 Q CB -0.437 28.261 28.738 -0.067 0.000 0.898 51 Q HN 0.683 nan 8.270 nan 0.000 0.426 52 V N 1.230 121.108 119.914 -0.059 0.000 2.392 52 V HA -0.281 3.841 4.120 0.003 0.000 0.249 52 V C 2.419 178.495 176.094 -0.030 0.000 1.059 52 V CA 1.773 64.039 62.300 -0.056 0.000 1.051 52 V CB -1.159 30.632 31.823 -0.053 0.000 0.658 52 V HN 0.516 nan 8.190 nan 0.000 0.455 53 A N 0.306 123.111 122.820 -0.024 0.000 1.877 53 A HA -0.203 4.118 4.320 0.003 0.000 0.216 53 A C 2.400 179.977 177.584 -0.011 0.000 1.186 53 A CA 1.822 53.849 52.037 -0.017 0.000 0.620 53 A CB -0.419 18.570 19.000 -0.020 0.000 0.822 53 A HN 0.543 nan 8.150 nan 0.000 0.443 54 R N -0.724 119.772 120.500 -0.006 0.000 2.062 54 R HA -0.036 4.305 4.340 0.003 0.000 0.231 54 R C 2.006 178.317 176.300 0.018 0.000 1.136 54 R CA 1.313 57.415 56.100 0.003 0.000 0.948 54 R CB -0.782 29.528 30.300 0.016 0.000 0.845 54 R HN 0.325 nan 8.270 nan 0.000 0.430 55 V N 1.507 121.441 119.914 0.033 0.000 2.324 55 V HA -0.306 3.815 4.120 0.003 0.000 0.250 55 V C 2.444 178.561 176.094 0.039 0.000 1.060 55 V CA 2.154 64.493 62.300 0.065 0.000 1.042 55 V CB -0.734 31.125 31.823 0.060 0.000 0.650 55 V HN 0.467 nan 8.190 nan 0.000 0.450 56 A N -0.405 122.426 122.820 0.018 0.000 1.898 56 A HA 0.054 4.375 4.320 0.003 0.000 0.214 56 A C 2.424 180.014 177.584 0.011 0.000 1.183 56 A CA 1.610 53.658 52.037 0.019 0.000 0.622 56 A CB -0.739 18.271 19.000 0.017 0.000 0.824 56 A HN 0.555 nan 8.150 nan 0.000 0.444 57 A N -0.357 122.460 122.820 -0.005 0.000 1.940 57 A HA 0.070 4.392 4.320 0.003 0.000 0.219 57 A C 2.324 179.876 177.584 -0.053 0.000 1.176 57 A CA 1.999 54.015 52.037 -0.034 0.000 0.631 57 A CB -1.238 17.734 19.000 -0.047 0.000 0.814 57 A HN 0.706 nan 8.150 nan 0.000 0.446 58 G N -0.613 108.169 108.800 -0.030 0.000 2.421 58 G HA2 -0.062 3.900 3.960 0.003 0.000 0.217 58 G HA3 -0.062 3.900 3.960 0.003 0.000 0.217 58 G C 1.523 176.400 174.900 -0.038 0.000 1.143 58 G CA 0.802 45.880 45.100 -0.037 0.000 0.784 58 G HN 0.507 nan 8.290 nan 0.000 0.541 59 L N -0.076 121.138 121.223 -0.014 0.000 2.191 59 L HA -0.070 4.272 4.340 0.003 0.000 0.212 59 L C 2.880 179.749 176.870 -0.003 0.000 1.103 59 L CA 1.091 55.926 54.840 -0.007 0.000 0.769 59 L CB -0.091 41.978 42.059 0.016 0.000 0.908 59 L HN 0.124 nan 8.230 nan 0.000 0.438 60 Q N 0.126 119.923 119.800 -0.004 0.000 2.020 60 Q HA -0.182 4.160 4.340 0.003 0.000 0.202 60 Q C 2.269 178.259 176.000 -0.017 0.000 0.982 60 Q CA 1.671 57.481 55.803 0.012 0.000 0.838 60 Q CB -0.334 28.391 28.738 -0.022 0.000 0.899 60 Q HN 0.543 nan 8.270 nan 0.000 0.423 61 I N 1.203 121.726 120.570 -0.079 0.000 2.226 61 I HA -0.228 3.943 4.170 0.003 0.000 0.245 61 I C 2.291 178.357 176.117 -0.085 0.000 1.100 61 I CA 1.103 62.341 61.300 -0.103 0.000 1.374 61 I CB -1.245 36.671 38.000 -0.140 0.000 1.057 61 I HN 0.207 nan 8.210 nan 0.000 0.413 62 K N 1.535 121.888 120.400 -0.078 0.000 2.074 62 K HA -0.210 4.111 4.320 0.003 0.000 0.209 62 K C 1.640 178.205 176.600 -0.058 0.000 1.048 62 K CA 1.604 57.839 56.287 -0.087 0.000 0.926 62 K CB -0.148 32.298 32.500 -0.091 0.000 0.713 62 K HN 0.396 nan 8.250 nan 0.000 0.444 63 N N -0.040 118.652 118.700 -0.013 0.000 2.368 63 N HA -0.015 4.727 4.740 0.003 0.000 0.176 63 N C 1.512 177.117 175.510 0.157 0.000 1.021 63 N CA 0.583 53.640 53.050 0.012 0.000 0.888 63 N CB 0.051 38.557 38.487 0.031 0.000 0.995 63 N HN 0.059 nan 8.380 nan 0.000 0.437 64 S N 0.797 116.615 115.700 0.197 0.000 2.547 64 S HA 0.110 4.581 4.470 0.003 0.000 0.235 64 S C 1.814 176.617 174.600 0.338 0.000 0.980 64 S CA 0.536 58.919 58.200 0.305 0.000 0.941 64 S CB 0.132 63.424 63.200 0.153 0.000 0.763 64 S HN 0.247 nan 8.310 nan 0.000 0.532 65 L N -1.011 120.339 121.223 0.212 0.000 2.588 65 L HA 0.263 4.605 4.340 0.003 0.000 0.194 65 L C 1.085 178.030 176.870 0.126 0.000 1.070 65 L CA 0.336 55.242 54.840 0.110 0.000 0.852 65 L CB 0.020 41.986 42.059 -0.154 0.000 1.199 65 L HN 0.078 nan 8.230 nan 0.000 0.486 66 T N -1.216 113.329 114.554 -0.015 0.000 2.912 66 T HA 0.572 4.924 4.350 0.003 0.000 0.288 66 T C -0.668 173.885 174.700 -0.244 0.000 1.030 66 T CA -0.305 61.736 62.100 -0.098 0.000 1.020 66 T CB 1.962 70.788 68.868 -0.070 0.000 1.056 66 T HN 0.064 nan 8.240 nan 0.000 0.480 67 S N 1.174 116.705 115.700 -0.283 0.000 2.810 67 S HA 0.568 5.039 4.470 0.003 0.000 0.315 67 S C 0.253 174.743 174.600 -0.184 0.000 1.138 67 S CA -0.646 57.360 58.200 -0.323 0.000 0.889 67 S CB 1.356 64.252 63.200 -0.507 0.000 1.236 67 S HN 0.675 nan 8.310 nan 0.000 0.548 68 K N 1.087 121.384 120.400 -0.172 0.000 2.361 68 K HA 0.192 4.514 4.320 0.003 0.000 0.196 68 K C 0.004 176.525 176.600 -0.131 0.000 1.039 68 K CA 0.424 56.627 56.287 -0.140 0.000 1.001 68 K CB -0.130 32.279 32.500 -0.152 0.000 0.795 68 K HN 0.655 nan 8.250 nan 0.000 0.495 69 D N -0.945 119.384 120.400 -0.117 0.000 2.268 69 D HA 0.120 4.762 4.640 0.003 0.000 0.249 69 D C -1.892 174.397 176.300 -0.019 0.000 1.008 69 D CA -2.209 51.751 54.000 -0.066 0.000 0.939 69 D CB 1.043 41.808 40.800 -0.058 0.000 1.170 69 D HN -0.199 nan 8.370 nan 0.000 0.468 70 P HA -0.063 nan 4.420 nan 0.000 0.220 70 P C 0.300 177.631 177.300 0.052 0.000 1.152 70 P CA 0.813 63.948 63.100 0.058 0.000 0.812 70 P CB 0.470 32.229 31.700 0.098 0.000 0.792 71 D N 0.229 120.658 120.400 0.047 0.000 2.077 71 D HA -0.096 4.545 4.640 0.003 0.000 0.197 71 D C 2.007 178.345 176.300 0.064 0.000 0.983 71 D CA 0.704 54.736 54.000 0.053 0.000 0.841 71 D CB -0.936 39.891 40.800 0.045 0.000 0.992 71 D HN -0.062 nan 8.370 nan 0.000 0.450 72 I N 1.178 121.780 120.570 0.054 0.000 2.454 72 I HA -0.181 3.991 4.170 0.003 0.000 0.254 72 I C 2.068 178.251 176.117 0.110 0.000 1.156 72 I CA 0.988 62.356 61.300 0.114 0.000 1.433 72 I CB -0.600 37.454 38.000 0.091 0.000 1.082 72 I HN 0.079 nan 8.210 nan 0.000 0.432 73 K N 0.922 121.319 120.400 -0.005 0.000 2.152 73 K HA -0.192 4.129 4.320 0.003 0.000 0.206 73 K C 2.021 178.678 176.600 0.095 0.000 1.048 73 K CA 1.515 57.797 56.287 -0.010 0.000 0.933 73 K CB 0.108 32.593 32.500 -0.024 0.000 0.721 73 K HN 0.275 nan 8.250 nan 0.000 0.447 74 A N 1.041 123.922 122.820 0.102 0.000 1.840 74 A HA -0.180 4.142 4.320 0.003 0.000 0.214 74 A C 2.119 179.786 177.584 0.139 0.000 1.198 74 A CA 1.355 53.457 52.037 0.109 0.000 0.608 74 A CB -0.693 18.359 19.000 0.087 0.000 0.839 74 A HN 0.476 nan 8.150 nan 0.000 0.443 75 Q N -1.850 118.041 119.800 0.151 0.000 2.170 75 Q HA -0.204 4.138 4.340 0.003 0.000 0.203 75 Q C 1.796 177.894 176.000 0.164 0.000 0.976 75 Q CA 1.574 57.459 55.803 0.136 0.000 0.858 75 Q CB -0.221 28.584 28.738 0.112 0.000 0.907 75 Q HN 0.734 nan 8.270 nan 0.000 0.433 76 Y N 1.099 121.434 120.300 0.058 0.000 2.193 76 Y HA -0.269 4.282 4.550 0.003 0.000 0.285 76 Y C 2.335 178.296 175.900 0.102 0.000 1.166 76 Y CA 1.829 59.970 58.100 0.068 0.000 1.181 76 Y CB 0.014 38.500 38.460 0.043 0.000 0.976 76 Y HN 0.256 nan 8.280 nan 0.000 0.520 77 Q N -0.941 119.006 119.800 0.244 0.000 2.096 77 Q HA -0.173 4.169 4.340 0.003 0.000 0.197 77 Q C 2.186 178.314 176.000 0.212 0.000 0.964 77 Q CA 1.049 56.982 55.803 0.216 0.000 0.838 77 Q CB -0.111 28.725 28.738 0.164 0.000 0.906 77 Q HN 0.427 nan 8.270 nan 0.000 0.444 78 Q N 0.720 120.609 119.800 0.148 0.000 2.135 78 Q HA -0.208 4.134 4.340 0.003 0.000 0.204 78 Q C 1.961 178.013 176.000 0.086 0.000 0.981 78 Q CA 1.430 57.295 55.803 0.104 0.000 0.856 78 Q CB -0.418 28.364 28.738 0.073 0.000 0.902 78 Q HN 0.339 nan 8.270 nan 0.000 0.425 79 R N 0.224 120.776 120.500 0.086 0.000 2.083 79 R HA -0.158 4.183 4.340 0.003 0.000 0.237 79 R C 2.108 178.466 176.300 0.097 0.000 1.137 79 R CA 1.518 57.648 56.100 0.051 0.000 0.951 79 R CB -0.542 29.754 30.300 -0.007 0.000 0.851 79 R HN 0.457 nan 8.270 nan 0.000 0.434 80 W N 1.294 122.585 121.300 -0.016 0.000 2.338 80 W HA -0.227 4.435 4.660 0.003 0.000 0.304 80 W C 1.481 177.990 176.519 -0.018 0.000 1.212 80 W CA 1.247 58.583 57.345 -0.015 0.000 1.264 80 W CB -0.214 29.248 29.460 0.004 0.000 1.142 80 W HN 0.223 nan 8.180 nan 0.000 0.512 81 L N 1.064 122.309 121.223 0.038 0.000 2.046 81 L HA -0.159 4.183 4.340 0.003 0.000 0.208 81 L C 2.611 179.404 176.870 -0.129 0.000 1.077 81 L CA 1.470 56.270 54.840 -0.067 0.000 0.747 81 L CB -1.092 40.992 42.059 0.042 0.000 0.896 81 L HN -0.072 nan 8.230 nan 0.000 0.432 82 A N -0.475 122.297 122.820 -0.079 0.000 2.258 82 A HA 0.150 4.472 4.320 0.003 0.000 0.206 82 A C 0.894 178.401 177.584 -0.129 0.000 1.222 82 A CA 0.199 52.186 52.037 -0.083 0.000 0.822 82 A CB -0.684 18.290 19.000 -0.043 0.000 0.804 82 A HN 0.282 nan 8.150 nan 0.000 0.483 83 I N -0.071 120.365 120.570 -0.223 0.000 2.488 83 I HA 0.125 4.297 4.170 0.003 0.000 0.299 83 I C -0.010 175.926 176.117 -0.302 0.000 0.984 83 I CA -0.917 60.218 61.300 -0.274 0.000 1.250 83 I CB 1.201 38.960 38.000 -0.401 0.000 1.389 83 I HN 0.105 nan 8.210 nan 0.000 0.488 84 D N 4.142 124.407 120.400 -0.225 0.000 2.662 84 D HA -0.061 4.581 4.640 0.003 0.000 0.233 84 D C 0.938 177.085 176.300 -0.254 0.000 1.129 84 D CA 0.518 54.403 54.000 -0.192 0.000 0.851 84 D CB 1.136 41.854 40.800 -0.137 0.000 1.152 84 D HN 0.617 nan 8.370 nan 0.000 0.507 85 A N 4.350 127.043 122.820 -0.212 0.000 1.969 85 A HA -0.223 4.099 4.320 0.003 0.000 0.218 85 A C 1.936 179.417 177.584 -0.172 0.000 1.169 85 A CA 1.581 53.488 52.037 -0.216 0.000 0.635 85 A CB -0.530 18.382 19.000 -0.147 0.000 0.810 85 A HN 0.766 nan 8.150 nan 0.000 0.445 86 N N 0.501 119.125 118.700 -0.126 0.000 2.084 86 N HA -0.074 4.667 4.740 0.003 0.000 0.190 86 N C 1.833 177.291 175.510 -0.087 0.000 1.030 86 N CA 1.638 54.635 53.050 -0.088 0.000 0.849 86 N CB -0.318 38.130 38.487 -0.064 0.000 1.012 86 N HN 0.464 nan 8.380 nan 0.000 0.423 87 A N 0.904 123.662 122.820 -0.103 0.000 2.014 87 A HA -0.014 4.308 4.320 0.003 0.000 0.218 87 A C 2.002 179.531 177.584 -0.091 0.000 1.163 87 A CA 0.926 52.916 52.037 -0.078 0.000 0.652 87 A CB -0.206 18.748 19.000 -0.076 0.000 0.808 87 A HN 0.186 nan 8.150 nan 0.000 0.449 88 R N -0.814 119.565 120.500 -0.202 0.000 2.189 88 R HA 0.036 4.378 4.340 0.003 0.000 0.218 88 R C 1.663 177.912 176.300 -0.085 0.000 1.074 88 R CA 0.814 56.773 56.100 -0.234 0.000 0.991 88 R CB -0.135 29.781 30.300 -0.641 0.000 0.883 88 R HN 0.373 nan 8.270 nan 0.000 0.457 89 R N 0.327 120.763 120.500 -0.106 0.000 2.320 89 R HA -0.022 4.319 4.340 0.003 0.000 0.211 89 R C 1.379 177.660 176.300 -0.031 0.000 0.931 89 R CA 0.330 56.374 56.100 -0.093 0.000 1.071 89 R CB 0.251 30.501 30.300 -0.084 0.000 1.025 89 R HN 0.274 nan 8.270 nan 0.000 0.495 90 E N -0.478 119.732 120.200 0.018 0.000 2.372 90 E HA -0.018 4.334 4.350 0.003 0.000 0.201 90 E C 1.365 178.079 176.600 0.190 0.000 0.938 90 E CA 0.135 56.591 56.400 0.093 0.000 0.944 90 E CB 0.556 30.333 29.700 0.128 0.000 0.937 90 E HN 0.023 nan 8.360 nan 0.000 0.495 91 V N 1.888 121.888 119.914 0.144 0.000 2.244 91 V HA -0.238 3.883 4.120 0.003 0.000 0.244 91 V C 2.129 178.282 176.094 0.097 0.000 1.042 91 V CA 2.006 64.401 62.300 0.158 0.000 1.006 91 V CB -0.380 31.596 31.823 0.256 0.000 0.641 91 V HN 0.190 nan 8.190 nan 0.000 0.446 92 K N 0.194 120.582 120.400 -0.020 0.000 2.147 92 K HA -0.186 4.135 4.320 0.003 0.000 0.205 92 K C 2.056 178.700 176.600 0.074 0.000 1.049 92 K CA 1.471 57.669 56.287 -0.147 0.000 0.936 92 K CB -0.283 31.776 32.500 -0.735 0.000 0.722 92 K HN 0.326 nan 8.250 nan 0.000 0.446 93 N N 0.080 118.809 118.700 0.047 0.000 2.216 93 N HA -0.109 4.633 4.740 0.003 0.000 0.183 93 N C 1.370 176.879 175.510 -0.000 0.000 1.017 93 N CA 1.185 54.251 53.050 0.027 0.000 0.861 93 N CB 0.010 38.467 38.487 -0.050 0.000 0.986 93 N HN 0.177 nan 8.380 nan 0.000 0.428 94 Y N 0.023 120.348 120.300 0.041 0.000 2.206 94 Y HA 0.034 4.585 4.550 0.002 0.000 0.292 94 Y C 2.315 178.242 175.900 0.045 0.000 1.123 94 Y CA 0.647 58.769 58.100 0.035 0.000 1.142 94 Y CB -0.449 38.021 38.460 0.018 0.000 1.006 94 Y HN -0.163 nan 8.280 nan 0.000 0.518 95 V N -0.377 119.667 119.914 0.216 0.000 2.380 95 V HA -0.305 3.816 4.120 0.003 0.000 0.251 95 V C 2.067 178.252 176.094 0.153 0.000 1.063 95 V CA 1.475 63.864 62.300 0.149 0.000 1.055 95 V CB -0.718 31.173 31.823 0.114 0.000 0.657 95 V HN 0.264 nan 8.190 nan 0.000 0.455 96 L N -0.917 120.413 121.223 0.178 0.000 2.068 96 L HA -0.076 4.266 4.340 0.003 0.000 0.204 96 L C 2.397 179.329 176.870 0.102 0.000 1.076 96 L CA 1.594 56.526 54.840 0.155 0.000 0.753 96 L CB -1.023 41.154 42.059 0.196 0.000 0.910 96 L HN 0.256 nan 8.230 nan 0.000 0.439 97 Q N -0.894 118.957 119.800 0.085 0.000 2.364 97 Q HA -0.144 4.198 4.340 0.003 0.000 0.209 97 Q C 1.996 178.043 176.000 0.079 0.000 0.977 97 Q CA 1.589 57.425 55.803 0.056 0.000 0.885 97 Q CB -0.272 28.468 28.738 0.004 0.000 0.941 97 Q HN 0.473 nan 8.270 nan 0.000 0.464 98 T N 0.058 114.675 114.554 0.104 0.000 2.737 98 T HA -0.043 4.308 4.350 0.003 0.000 0.265 98 T C 0.353 175.100 174.700 0.078 0.000 1.038 98 T CA 0.224 62.382 62.100 0.097 0.000 1.144 98 T CB -0.176 68.750 68.868 0.098 0.000 0.866 98 T HN 0.190 nan 8.240 nan 0.000 0.434 99 L N 1.646 122.914 121.223 0.075 0.000 2.706 99 L HA 0.158 4.500 4.340 0.003 0.000 0.282 99 L C 1.607 178.517 176.870 0.067 0.000 1.219 99 L CA 0.842 55.722 54.840 0.067 0.000 0.935 99 L CB -0.207 41.886 42.059 0.058 0.000 1.204 99 L HN 0.538 nan 8.230 nan 0.000 0.491 100 G N 1.606 110.455 108.800 0.081 0.000 2.232 100 G HA2 -0.276 3.685 3.960 0.003 0.000 0.226 100 G HA3 -0.276 3.685 3.960 0.003 0.000 0.226 100 G C 0.539 175.481 174.900 0.070 0.000 0.996 100 G CA 0.185 45.336 45.100 0.086 0.000 0.626 100 G HN 0.716 nan 8.290 nan 0.000 0.509 101 T N -0.987 113.603 114.554 0.060 0.000 3.256 101 T HA 0.674 5.025 4.350 0.003 0.000 0.249 101 T C -0.001 174.721 174.700 0.037 0.000 0.975 101 T CA 0.139 62.263 62.100 0.039 0.000 1.011 101 T CB 0.711 69.605 68.868 0.044 0.000 1.127 101 T HN 0.501 nan 8.240 nan 0.000 0.543 102 E N -0.288 119.935 120.200 0.039 0.000 2.423 102 E HA 0.518 4.869 4.350 0.003 0.000 0.269 102 E C -0.183 176.407 176.600 -0.017 0.000 0.948 102 E CA -0.955 55.474 56.400 0.049 0.000 0.802 102 E CB 2.139 31.901 29.700 0.104 0.000 1.339 102 E HN 0.109 nan 8.360 nan 0.000 0.445 103 T N -0.785 113.788 114.554 0.033 0.000 3.028 103 T HA 0.001 4.352 4.350 0.003 0.000 0.250 103 T C -0.172 174.635 174.700 0.177 0.000 0.979 103 T CA -0.149 61.949 62.100 -0.005 0.000 1.004 103 T CB -0.031 68.832 68.868 -0.007 0.000 1.120 103 T HN 0.366 nan 8.240 nan 0.000 0.482 104 Y N 4.106 124.435 120.300 0.048 0.000 2.721 104 Y HA 0.161 4.712 4.550 0.001 0.000 0.329 104 Y C 1.542 177.508 175.900 0.110 0.000 1.211 104 Y CA -1.271 56.868 58.100 0.064 0.000 1.512 104 Y CB 0.315 38.800 38.460 0.041 0.000 1.249 104 Y HN -0.070 nan 8.280 nan 0.000 0.549 105 R N 4.865 125.438 120.500 0.122 0.000 2.136 105 R HA -0.121 4.220 4.340 0.003 0.000 0.242 105 R C -1.746 174.437 176.300 -0.195 0.000 1.131 105 R CA 1.724 57.807 56.100 -0.027 0.000 0.937 105 R CB -1.570 28.713 30.300 -0.029 0.000 0.863 105 R HN 0.530 nan 8.270 nan 0.000 0.435 106 P HA 0.133 nan 4.420 nan 0.000 0.274 106 P C -1.240 175.913 177.300 -0.244 0.000 1.470 106 P CA 0.015 62.908 63.100 -0.344 0.000 1.001 106 P CB 1.496 32.935 31.700 -0.434 0.000 1.332 107 S N 2.491 118.146 115.700 -0.074 0.000 2.589 107 S HA 0.005 4.476 4.470 0.003 0.000 0.306 107 S C 1.576 176.167 174.600 -0.015 0.000 1.221 107 S CA 0.053 58.256 58.200 0.006 0.000 1.159 107 S CB -0.365 62.865 63.200 0.051 0.000 0.990 107 S HN 0.456 nan 8.310 nan 0.000 0.514 108 S N 4.522 120.222 115.700 0.000 0.000 2.493 108 S HA -0.121 4.351 4.470 0.003 0.000 0.243 108 S C 1.875 176.454 174.600 -0.035 0.000 0.991 108 S CA 0.711 58.899 58.200 -0.020 0.000 0.957 108 S CB -0.425 62.793 63.200 0.029 0.000 0.756 108 S HN 0.873 nan 8.310 nan 0.000 0.521 109 A N 1.594 124.412 122.820 -0.002 0.000 2.067 109 A HA 0.054 4.375 4.320 0.003 0.000 0.219 109 A C 2.371 179.948 177.584 -0.012 0.000 1.158 109 A CA 1.408 53.450 52.037 0.008 0.000 0.661 109 A CB -0.908 18.118 19.000 0.043 0.000 0.801 109 A HN 0.553 nan 8.150 nan 0.000 0.452 110 S N 0.078 115.759 115.700 -0.031 0.000 2.348 110 S HA -0.178 4.294 4.470 0.003 0.000 0.221 110 S C 2.079 176.563 174.600 -0.193 0.000 1.033 110 S CA 1.347 59.525 58.200 -0.036 0.000 1.010 110 S CB -0.339 62.891 63.200 0.050 0.000 0.891 110 S HN 0.649 nan 8.310 nan 0.000 0.442 111 Q N 0.382 119.974 119.800 -0.347 0.000 2.135 111 Q HA -0.114 4.228 4.340 0.003 0.000 0.204 111 Q C 2.560 178.424 176.000 -0.226 0.000 0.981 111 Q CA 1.213 56.754 55.803 -0.437 0.000 0.856 111 Q CB -0.799 27.723 28.738 -0.360 0.000 0.902 111 Q HN 0.590 nan 8.270 nan 0.000 0.425 112 C N -0.251 118.966 119.300 -0.139 0.000 2.489 112 C HA -0.043 4.418 4.460 0.003 0.000 0.279 112 C C 2.893 177.857 174.990 -0.043 0.000 1.266 112 C CA 0.172 59.131 59.018 -0.099 0.000 1.707 112 C CB -1.031 26.668 27.740 -0.069 0.000 2.059 112 C HN 0.254 nan 8.230 nan 0.000 0.481 113 V N 1.817 121.745 119.914 0.024 0.000 2.250 113 V HA -0.298 3.823 4.120 0.003 0.000 0.250 113 V C 2.751 178.910 176.094 0.107 0.000 1.060 113 V CA 2.551 64.931 62.300 0.133 0.000 1.030 113 V CB -1.311 30.563 31.823 0.085 0.000 0.643 113 V HN 0.626 nan 8.190 nan 0.000 0.445 114 A N 0.090 122.925 122.820 0.025 0.000 1.969 114 A HA -0.025 4.297 4.320 0.003 0.000 0.218 114 A C 2.408 179.998 177.584 0.010 0.000 1.169 114 A CA 1.705 53.760 52.037 0.030 0.000 0.635 114 A CB -1.146 17.892 19.000 0.063 0.000 0.810 114 A HN 0.554 nan 8.150 nan 0.000 0.445 115 G N 0.243 109.013 108.800 -0.050 0.000 2.440 115 G HA2 -0.230 3.731 3.960 0.003 0.000 0.218 115 G HA3 -0.230 3.731 3.960 0.003 0.000 0.218 115 G C 1.484 176.305 174.900 -0.132 0.000 1.154 115 G CA 1.311 46.353 45.100 -0.097 0.000 0.767 115 G HN 0.501 nan 8.290 nan 0.000 0.552 116 I N 0.956 121.438 120.570 -0.147 0.000 2.480 116 I HA 0.037 4.209 4.170 0.003 0.000 0.251 116 I C 3.131 179.357 176.117 0.181 0.000 1.124 116 I CA 0.664 61.837 61.300 -0.211 0.000 1.444 116 I CB -0.091 37.698 38.000 -0.351 0.000 1.098 116 I HN 0.216 nan 8.210 nan 0.000 0.428 117 A N -0.262 122.735 122.820 0.296 0.000 2.067 117 A HA -0.180 4.141 4.320 0.003 0.000 0.219 117 A C 2.135 179.792 177.584 0.120 0.000 1.158 117 A CA 1.196 53.371 52.037 0.229 0.000 0.661 117 A CB -0.921 18.086 19.000 0.011 0.000 0.801 117 A HN 0.558 nan 8.150 nan 0.000 0.452 118 C N -1.583 117.769 119.300 0.086 0.000 2.697 118 C HA 0.495 4.957 4.460 0.003 0.000 0.267 118 C C 2.528 177.572 174.990 0.089 0.000 1.278 118 C CA 0.279 59.337 59.018 0.066 0.000 1.708 118 C CB -0.921 26.849 27.740 0.049 0.000 1.860 118 C HN 0.707 nan 8.230 nan 0.000 0.589 119 A N 0.053 122.948 122.820 0.126 0.000 2.070 119 A HA 0.152 4.473 4.320 0.003 0.000 0.202 119 A C 1.854 179.565 177.584 0.211 0.000 1.277 119 A CA 0.306 52.443 52.037 0.165 0.000 0.872 119 A CB -0.056 19.059 19.000 0.191 0.000 0.933 119 A HN 0.489 nan 8.150 nan 0.000 0.475 120 E N -0.166 120.192 120.200 0.262 0.000 2.201 120 E HA 0.147 4.499 4.350 0.003 0.000 0.193 120 E C 1.648 178.377 176.600 0.214 0.000 0.957 120 E CA 0.245 56.813 56.400 0.279 0.000 0.858 120 E CB -0.005 29.938 29.700 0.406 0.000 0.816 120 E HN 0.548 nan 8.360 nan 0.000 0.475 121 I N 1.871 122.553 120.570 0.186 0.000 2.194 121 I HA -0.212 3.959 4.170 0.003 0.000 0.246 121 I C -0.821 175.334 176.117 0.064 0.000 1.093 121 I CA 1.144 62.501 61.300 0.094 0.000 1.355 121 I CB -1.095 36.917 38.000 0.019 0.000 1.046 121 I HN 0.048 nan 8.210 nan 0.000 0.413 122 P HA -0.094 nan 4.420 nan 0.000 0.231 122 P C 0.837 178.174 177.300 0.061 0.000 1.158 122 P CA 1.034 64.166 63.100 0.053 0.000 0.763 122 P CB -0.069 31.667 31.700 0.061 0.000 0.805 123 V N -6.770 113.192 119.914 0.079 0.000 3.199 123 V HA 0.356 4.478 4.120 0.003 0.000 0.331 123 V C 0.442 176.583 176.094 0.078 0.000 1.446 123 V CA -0.424 61.920 62.300 0.073 0.000 1.120 123 V CB -0.917 30.952 31.823 0.076 0.000 1.051 123 V HN 0.006 nan 8.190 nan 0.000 0.495 124 N N 0.972 119.722 118.700 0.084 0.000 2.732 124 N HA -0.273 4.469 4.740 0.003 0.000 0.250 124 N C 0.942 176.523 175.510 0.120 0.000 1.097 124 N CA 1.532 54.634 53.050 0.086 0.000 0.812 124 N CB -0.559 37.963 38.487 0.059 0.000 1.148 124 N HN 0.724 nan 8.380 nan 0.000 0.572 125 Q N -0.625 119.265 119.800 0.150 0.000 2.253 125 Q HA 0.091 4.432 4.340 0.003 0.000 0.210 125 Q C -0.609 175.549 176.000 0.263 0.000 0.907 125 Q CA 0.214 56.109 55.803 0.154 0.000 0.948 125 Q CB -0.118 28.685 28.738 0.108 0.000 1.033 125 Q HN 0.457 nan 8.270 nan 0.000 0.471 126 W N -0.141 121.193 121.300 0.056 0.000 1.267 126 W HA 0.415 5.077 4.660 0.002 0.000 0.314 126 W C -2.641 173.900 176.519 0.037 0.000 0.896 126 W CA -2.203 55.177 57.345 0.059 0.000 1.521 126 W CB 0.930 30.440 29.460 0.083 0.000 1.654 126 W HN 0.062 nan 8.180 nan 0.000 0.454 127 P HA -0.111 nan 4.420 nan 0.000 0.226 127 P C 0.708 178.046 177.300 0.064 0.000 1.153 127 P CA 1.584 64.746 63.100 0.103 0.000 0.777 127 P CB 0.436 32.192 31.700 0.094 0.000 0.794 128 E N -1.367 118.945 120.200 0.187 0.000 2.416 128 E HA 0.032 4.384 4.350 0.003 0.000 0.189 128 E C 1.216 177.806 176.600 -0.017 0.000 1.091 128 E CA -0.028 56.457 56.400 0.142 0.000 0.889 128 E CB -0.493 29.365 29.700 0.264 0.000 1.015 128 E HN 0.173 nan 8.360 nan 0.000 0.479 129 L N -0.125 120.882 121.223 -0.360 0.000 2.228 129 L HA 0.119 4.460 4.340 0.003 0.000 0.196 129 L C 1.552 178.210 176.870 -0.352 0.000 1.162 129 L CA 1.104 55.541 54.840 -0.672 0.000 0.801 129 L CB -0.555 40.653 42.059 -1.418 0.000 0.983 129 L HN 0.021 nan 8.230 nan 0.000 0.471 130 I N 0.779 121.166 120.570 -0.305 0.000 2.145 130 I HA -0.254 3.917 4.170 0.003 0.000 0.244 130 I C -0.610 175.436 176.117 -0.117 0.000 1.075 130 I CA 2.131 63.320 61.300 -0.186 0.000 1.332 130 I CB -2.049 35.864 38.000 -0.144 0.000 1.033 130 I HN 0.293 nan 8.210 nan 0.000 0.410 131 P HA -0.231 nan 4.420 nan 0.000 0.216 131 P C 1.710 178.984 177.300 -0.044 0.000 1.150 131 P CA 1.453 64.522 63.100 -0.053 0.000 0.843 131 P CB 0.006 31.685 31.700 -0.034 0.000 0.787 132 Q N -0.343 119.425 119.800 -0.054 0.000 2.096 132 Q HA -0.070 4.271 4.340 0.003 0.000 0.197 132 Q C 2.034 178.011 176.000 -0.039 0.000 0.964 132 Q CA 1.401 57.185 55.803 -0.032 0.000 0.838 132 Q CB -1.231 27.499 28.738 -0.013 0.000 0.906 132 Q HN 0.143 nan 8.270 nan 0.000 0.444 133 L N -0.481 120.699 121.223 -0.071 0.000 2.042 133 L HA -0.198 4.144 4.340 0.003 0.000 0.210 133 L C 2.314 179.159 176.870 -0.041 0.000 1.076 133 L CA 1.190 55.992 54.840 -0.062 0.000 0.749 133 L CB -0.750 41.251 42.059 -0.097 0.000 0.893 133 L HN 0.127 nan 8.230 nan 0.000 0.432 134 V N 0.183 120.071 119.914 -0.044 0.000 2.295 134 V HA -0.308 3.813 4.120 0.003 0.000 0.246 134 V C 2.821 178.904 176.094 -0.018 0.000 1.049 134 V CA 1.858 64.141 62.300 -0.029 0.000 1.024 134 V CB -0.990 30.816 31.823 -0.029 0.000 0.648 134 V HN 0.495 nan 8.190 nan 0.000 0.447 135 A N 0.583 123.393 122.820 -0.017 0.000 1.917 135 A HA -0.320 4.002 4.320 0.003 0.000 0.219 135 A C 1.972 179.554 177.584 -0.004 0.000 1.182 135 A CA 2.511 54.543 52.037 -0.009 0.000 0.633 135 A CB -1.028 17.968 19.000 -0.007 0.000 0.819 135 A HN 0.717 nan 8.150 nan 0.000 0.448 136 N N -0.697 118.001 118.700 -0.004 0.000 2.443 136 N HA -0.050 4.692 4.740 0.003 0.000 0.184 136 N C 1.198 176.709 175.510 0.001 0.000 1.037 136 N CA 1.142 54.193 53.050 0.002 0.000 0.896 136 N CB 0.002 38.492 38.487 0.005 0.000 0.959 136 N HN 0.371 nan 8.380 nan 0.000 0.442 137 V N -0.497 119.415 119.914 -0.004 0.000 2.788 137 V HA -0.059 4.062 4.120 0.003 0.000 0.241 137 V C 2.467 178.560 176.094 -0.002 0.000 1.083 137 V CA 1.573 63.870 62.300 -0.005 0.000 1.103 137 V CB -0.401 31.417 31.823 -0.009 0.000 0.800 137 V HN 0.439 nan 8.190 nan 0.000 0.476 138 T N -1.501 113.052 114.554 -0.002 0.000 2.812 138 T HA -0.076 4.275 4.350 0.003 0.000 0.264 138 T C 1.176 175.877 174.700 0.001 0.000 1.042 138 T CA 0.751 62.852 62.100 0.001 0.000 1.140 138 T CB -0.540 68.327 68.868 -0.001 0.000 0.870 138 T HN 0.340 nan 8.240 nan 0.000 0.445 139 N N 3.297 121.997 118.700 0.001 0.000 2.411 139 N HA 0.062 4.804 4.740 0.003 0.000 0.265 139 N C -1.877 173.636 175.510 0.005 0.000 1.266 139 N CA -1.453 51.599 53.050 0.003 0.000 0.889 139 N CB 1.414 39.903 38.487 0.004 0.000 1.069 139 N HN 0.092 nan 8.380 nan 0.000 0.476 140 P HA -0.063 nan 4.420 nan 0.000 0.215 140 P C 0.702 178.007 177.300 0.008 0.000 1.157 140 P CA 1.254 64.357 63.100 0.006 0.000 0.868 140 P CB 0.245 31.948 31.700 0.005 0.000 0.788 141 N N -0.668 118.037 118.700 0.008 0.000 2.132 141 N HA -0.104 4.638 4.740 0.003 0.000 0.191 141 N C 0.399 175.918 175.510 0.014 0.000 1.015 141 N CA 0.897 53.953 53.050 0.010 0.000 0.864 141 N CB -1.149 37.344 38.487 0.009 0.000 1.006 141 N HN 0.072 nan 8.380 nan 0.000 0.430 142 S N 0.081 115.790 115.700 0.014 0.000 2.561 142 S HA 0.049 4.520 4.470 0.003 0.000 0.294 142 S C 0.930 175.544 174.600 0.024 0.000 1.294 142 S CA 0.069 58.280 58.200 0.019 0.000 1.055 142 S CB 0.361 63.571 63.200 0.015 0.000 0.819 142 S HN 0.479 nan 8.310 nan 0.000 0.503 143 T N -0.394 114.181 114.554 0.035 0.000 2.852 143 T HA 0.352 4.703 4.350 0.003 0.000 0.281 143 T C 1.130 175.861 174.700 0.051 0.000 0.993 143 T CA -0.732 61.397 62.100 0.048 0.000 0.933 143 T CB 0.658 69.565 68.868 0.064 0.000 1.187 143 T HN 0.654 nan 8.240 nan 0.000 0.559 144 E N -0.605 119.635 120.200 0.067 0.000 2.072 144 E HA -0.194 4.158 4.350 0.003 0.000 0.191 144 E C 1.652 178.252 176.600 0.001 0.000 0.985 144 E CA 0.891 57.311 56.400 0.033 0.000 0.801 144 E CB -0.158 29.569 29.700 0.045 0.000 0.750 144 E HN 0.702 nan 8.360 nan 0.000 0.452 145 H N -0.857 118.219 119.070 0.009 0.000 2.547 145 H HA -0.002 4.555 4.556 0.002 0.000 0.266 145 H C 1.586 176.922 175.328 0.014 0.000 0.988 145 H CA 0.735 56.791 56.048 0.012 0.000 1.147 145 H CB 0.460 30.233 29.762 0.018 0.000 1.365 145 H HN 0.286 nan 8.280 nan 0.000 0.589 146 M N 0.566 120.223 119.600 0.096 0.000 2.398 146 M HA 0.016 4.498 4.480 0.003 0.000 0.261 146 M C 1.883 178.200 176.300 0.027 0.000 1.125 146 M CA 1.437 56.773 55.300 0.060 0.000 1.183 146 M CB 0.266 32.896 32.600 0.049 0.000 1.322 146 M HN -0.175 nan 8.290 nan 0.000 0.467 147 K N -0.064 120.343 120.400 0.011 0.000 2.031 147 K HA -0.152 4.170 4.320 0.003 0.000 0.205 147 K C 2.060 178.648 176.600 -0.020 0.000 1.049 147 K CA 1.671 57.954 56.287 -0.005 0.000 0.939 147 K CB -0.386 32.108 32.500 -0.010 0.000 0.717 147 K HN 0.525 nan 8.250 nan 0.000 0.438 148 E N 1.093 121.267 120.200 -0.043 0.000 2.070 148 E HA -0.208 4.144 4.350 0.003 0.000 0.197 148 E C 1.874 178.450 176.600 -0.040 0.000 1.004 148 E CA 1.772 58.131 56.400 -0.068 0.000 0.805 148 E CB 0.085 29.701 29.700 -0.140 0.000 0.744 148 E HN 0.122 nan 8.360 nan 0.000 0.451 149 S N -0.099 115.589 115.700 -0.020 0.000 2.356 149 S HA -0.145 4.327 4.470 0.003 0.000 0.223 149 S C 2.066 176.684 174.600 0.030 0.000 1.032 149 S CA 1.612 59.822 58.200 0.017 0.000 1.005 149 S CB -0.490 62.735 63.200 0.042 0.000 0.867 149 S HN 0.375 nan 8.310 nan 0.000 0.449 150 T N 3.049 117.614 114.554 0.018 0.000 2.708 150 T HA 0.019 4.370 4.350 0.003 0.000 0.266 150 T C 1.779 176.483 174.700 0.007 0.000 1.037 150 T CA 1.005 63.112 62.100 0.012 0.000 1.146 150 T CB -0.496 68.374 68.868 0.002 0.000 0.865 150 T HN 0.233 nan 8.240 nan 0.000 0.435 151 L N 0.686 121.905 121.223 -0.006 0.000 2.042 151 L HA -0.139 4.203 4.340 0.003 0.000 0.210 151 L C 2.778 179.638 176.870 -0.017 0.000 1.076 151 L CA 1.506 56.334 54.840 -0.019 0.000 0.749 151 L CB -0.620 41.419 42.059 -0.033 0.000 0.893 151 L HN 0.357 nan 8.230 nan 0.000 0.432 152 E N 0.176 120.378 120.200 0.003 0.000 2.038 152 E HA -0.265 4.086 4.350 0.003 0.000 0.195 152 E C 2.315 179.014 176.600 0.166 0.000 1.000 152 E CA 1.265 57.684 56.400 0.031 0.000 0.803 152 E CB -0.248 29.528 29.700 0.128 0.000 0.750 152 E HN 0.513 nan 8.360 nan 0.000 0.448 153 A N 1.458 124.387 122.820 0.182 0.000 1.892 153 A HA -0.231 4.090 4.320 0.003 0.000 0.218 153 A C 2.214 179.868 177.584 0.118 0.000 1.188 153 A CA 1.516 53.661 52.037 0.181 0.000 0.631 153 A CB -0.794 18.249 19.000 0.071 0.000 0.822 153 A HN 0.184 nan 8.150 nan 0.000 0.447 154 I N -0.508 120.085 120.570 0.038 0.000 2.286 154 I HA -0.189 3.982 4.170 0.003 0.000 0.248 154 I C 2.642 178.761 176.117 0.005 0.000 1.115 154 I CA 1.082 62.384 61.300 0.003 0.000 1.392 154 I CB -0.689 37.300 38.000 -0.017 0.000 1.065 154 I HN 0.412 nan 8.210 nan 0.000 0.418 155 G N -0.101 108.675 108.800 -0.039 0.000 2.443 155 G HA2 -0.234 3.728 3.960 0.003 0.000 0.219 155 G HA3 -0.234 3.728 3.960 0.003 0.000 0.219 155 G C 1.406 176.212 174.900 -0.156 0.000 1.131 155 G CA 0.546 45.569 45.100 -0.127 0.000 0.775 155 G HN 0.292 nan 8.290 nan 0.000 0.547 156 Y N 0.318 120.618 120.300 0.000 0.000 2.269 156 Y HA 0.208 4.760 4.550 0.002 0.000 0.294 156 Y C 2.701 178.606 175.900 0.008 0.000 1.120 156 Y CA 0.185 58.286 58.100 0.002 0.000 1.159 156 Y CB -0.140 38.313 38.460 -0.011 0.000 1.024 156 Y HN 0.085 nan 8.280 nan 0.000 0.532 157 I N -1.111 119.545 120.570 0.142 0.000 2.248 157 I HA -0.383 3.788 4.170 0.003 0.000 0.248 157 I C 1.970 178.114 176.117 0.046 0.000 1.107 157 I CA 1.172 62.506 61.300 0.057 0.000 1.373 157 I CB -0.557 37.435 38.000 -0.013 0.000 1.055 157 I HN 0.305 nan 8.210 nan 0.000 0.418 158 C N -0.006 119.342 119.300 0.080 0.000 2.450 158 C HA -0.095 4.367 4.460 0.003 0.000 0.279 158 C C 2.777 177.911 174.990 0.240 0.000 1.335 158 C CA 0.357 59.491 59.018 0.194 0.000 1.749 158 C CB -0.978 26.932 27.740 0.282 0.000 1.963 158 C HN 0.515 nan 8.230 nan 0.000 0.501 159 Q N 0.967 120.855 119.800 0.146 0.000 2.050 159 Q HA -0.190 4.151 4.340 0.003 0.000 0.202 159 Q C 0.959 177.038 176.000 0.132 0.000 0.980 159 Q CA 1.927 57.805 55.803 0.126 0.000 0.840 159 Q CB -0.183 28.615 28.738 0.099 0.000 0.898 159 Q HN 0.728 nan 8.270 nan 0.000 0.424 160 D N -0.955 119.518 120.400 0.122 0.000 2.398 160 D HA 0.119 4.761 4.640 0.003 0.000 0.210 160 D C -0.272 176.082 176.300 0.089 0.000 1.094 160 D CA -0.155 53.902 54.000 0.096 0.000 0.839 160 D CB 0.539 41.385 40.800 0.077 0.000 0.963 160 D HN 0.056 nan 8.370 nan 0.000 0.506 161 I N 1.118 121.744 120.570 0.094 0.000 2.713 161 I HA 0.115 4.286 4.170 0.003 0.000 0.300 161 I C -0.158 176.020 176.117 0.101 0.000 1.009 161 I CA -0.818 60.516 61.300 0.056 0.000 1.305 161 I CB 0.710 38.686 38.000 -0.041 0.000 1.430 161 I HN -0.184 nan 8.210 nan 0.000 0.546 162 D N 7.507 127.952 120.400 0.075 0.000 2.443 162 D HA 0.094 4.736 4.640 0.003 0.000 0.239 162 D C -1.657 174.755 176.300 0.185 0.000 1.136 162 D CA -1.163 52.903 54.000 0.111 0.000 0.879 162 D CB 0.387 41.234 40.800 0.079 0.000 1.195 162 D HN 0.369 nan 8.370 nan 0.000 0.443 163 P HA -0.088 nan 4.420 nan 0.000 0.230 163 P C 0.481 177.983 177.300 0.337 0.000 1.158 163 P CA 0.980 64.349 63.100 0.449 0.000 0.769 163 P CB 0.675 32.499 31.700 0.207 0.000 0.807 164 E N 0.462 120.771 120.200 0.181 0.000 2.134 164 E HA 0.021 4.373 4.350 0.003 0.000 0.194 164 E C 1.600 178.244 176.600 0.073 0.000 0.937 164 E CA 0.638 57.113 56.400 0.125 0.000 0.874 164 E CB -0.641 29.115 29.700 0.093 0.000 0.853 164 E HN 0.408 nan 8.360 nan 0.000 0.471 165 Q N 0.898 120.724 119.800 0.043 0.000 2.239 165 Q HA 0.185 4.527 4.340 0.003 0.000 0.219 165 Q C 1.122 177.096 176.000 -0.043 0.000 0.901 165 Q CA 0.056 55.866 55.803 0.012 0.000 0.949 165 Q CB 0.560 29.314 28.738 0.026 0.000 1.038 165 Q HN 0.070 nan 8.270 nan 0.000 0.458 166 L N -0.763 120.393 121.223 -0.112 0.000 2.948 166 L HA 0.120 4.461 4.340 0.003 0.000 0.259 166 L C 1.141 177.859 176.870 -0.253 0.000 1.136 166 L CA 0.635 55.320 54.840 -0.257 0.000 0.959 166 L CB 0.546 42.298 42.059 -0.511 0.000 1.370 166 L HN 0.208 nan 8.230 nan 0.000 0.552 167 Q N 0.171 119.909 119.800 -0.103 0.000 2.307 167 Q HA -0.118 4.223 4.340 0.003 0.000 0.216 167 Q C 0.547 176.562 176.000 0.025 0.000 0.931 167 Q CA 0.396 56.217 55.803 0.031 0.000 0.953 167 Q CB 0.197 29.038 28.738 0.172 0.000 1.006 167 Q HN 0.354 nan 8.270 nan 0.000 0.472 168 D N -0.738 119.651 120.400 -0.018 0.000 2.454 168 D HA 0.049 4.690 4.640 0.003 0.000 0.214 168 D C 0.106 176.395 176.300 -0.017 0.000 1.088 168 D CA 0.476 54.473 54.000 -0.004 0.000 0.855 168 D CB 0.564 41.362 40.800 -0.003 0.000 1.025 168 D HN -0.009 nan 8.370 nan 0.000 0.502 169 K N -0.339 120.034 120.400 -0.045 0.000 2.618 169 K HA 0.226 4.547 4.320 0.003 0.000 0.207 169 K C 1.195 177.771 176.600 -0.041 0.000 1.058 169 K CA -0.093 56.165 56.287 -0.049 0.000 1.086 169 K CB 0.848 33.302 32.500 -0.076 0.000 0.827 169 K HN -0.141 nan 8.250 nan 0.000 0.481 170 S N 1.200 116.894 115.700 -0.010 0.000 2.353 170 S HA -0.212 4.260 4.470 0.003 0.000 0.222 170 S C 1.528 176.146 174.600 0.031 0.000 1.035 170 S CA 2.000 60.220 58.200 0.033 0.000 1.025 170 S CB -0.105 63.148 63.200 0.089 0.000 0.902 170 S HN 0.463 nan 8.310 nan 0.000 0.440 171 N N 0.626 119.339 118.700 0.021 0.000 2.104 171 N HA -0.117 4.625 4.740 0.003 0.000 0.190 171 N C 1.735 177.248 175.510 0.005 0.000 1.024 171 N CA 1.757 54.816 53.050 0.014 0.000 0.853 171 N CB -0.215 38.275 38.487 0.006 0.000 1.008 171 N HN 0.500 nan 8.380 nan 0.000 0.424 172 E N 0.530 120.725 120.200 -0.008 0.000 2.110 172 E HA -0.114 4.238 4.350 0.003 0.000 0.193 172 E C 1.800 178.391 176.600 -0.015 0.000 0.988 172 E CA 0.792 57.182 56.400 -0.016 0.000 0.804 172 E CB -0.082 29.600 29.700 -0.031 0.000 0.745 172 E HN 0.424 nan 8.360 nan 0.000 0.458 173 I N 0.307 120.869 120.570 -0.014 0.000 2.202 173 I HA -0.245 3.927 4.170 0.003 0.000 0.242 173 I C 2.257 178.381 176.117 0.011 0.000 1.091 173 I CA 0.882 62.176 61.300 -0.010 0.000 1.368 173 I CB -0.233 37.761 38.000 -0.010 0.000 1.058 173 I HN 0.122 nan 8.210 nan 0.000 0.410 174 L N 0.271 121.510 121.223 0.027 0.000 2.042 174 L HA -0.228 4.113 4.340 0.003 0.000 0.210 174 L C 2.683 179.572 176.870 0.032 0.000 1.076 174 L CA 1.746 56.605 54.840 0.031 0.000 0.749 174 L CB -0.731 41.350 42.059 0.036 0.000 0.893 174 L HN 0.301 nan 8.230 nan 0.000 0.432 175 T N -0.211 114.363 114.554 0.034 0.000 2.720 175 T HA -0.205 4.146 4.350 0.003 0.000 0.268 175 T C 1.879 176.595 174.700 0.027 0.000 1.037 175 T CA 1.407 63.532 62.100 0.043 0.000 1.144 175 T CB -0.230 68.650 68.868 0.020 0.000 0.864 175 T HN 0.480 nan 8.240 nan 0.000 0.444 176 A N 0.563 123.388 122.820 0.008 0.000 1.969 176 A HA 0.054 4.376 4.320 0.003 0.000 0.218 176 A C 2.246 179.827 177.584 -0.004 0.000 1.169 176 A CA 1.000 53.036 52.037 -0.002 0.000 0.635 176 A CB -0.571 18.420 19.000 -0.015 0.000 0.810 176 A HN 0.536 nan 8.150 nan 0.000 0.445 177 I N -0.677 119.891 120.570 -0.004 0.000 2.296 177 I HA -0.127 4.044 4.170 0.003 0.000 0.242 177 I C 2.196 178.297 176.117 -0.027 0.000 1.087 177 I CA 0.854 62.144 61.300 -0.015 0.000 1.393 177 I CB -0.322 37.671 38.000 -0.012 0.000 1.093 177 I HN 0.231 nan 8.210 nan 0.000 0.421 178 I N 0.750 121.305 120.570 -0.024 0.000 2.248 178 I HA -0.342 3.830 4.170 0.003 0.000 0.248 178 I C 2.627 178.730 176.117 -0.023 0.000 1.107 178 I CA 1.431 62.697 61.300 -0.058 0.000 1.373 178 I CB -0.378 37.597 38.000 -0.041 0.000 1.055 178 I HN 0.319 nan 8.210 nan 0.000 0.418 179 Q N 1.252 121.063 119.800 0.018 0.000 2.170 179 Q HA -0.137 4.205 4.340 0.003 0.000 0.203 179 Q C 1.998 177.996 176.000 -0.003 0.000 0.976 179 Q CA 1.887 57.704 55.803 0.023 0.000 0.858 179 Q CB -0.417 28.336 28.738 0.025 0.000 0.907 179 Q HN 0.492 nan 8.270 nan 0.000 0.433 180 G N -0.946 107.844 108.800 -0.017 0.000 2.712 180 G HA2 -0.045 3.917 3.960 0.003 0.000 0.212 180 G HA3 -0.045 3.917 3.960 0.003 0.000 0.212 180 G C 1.192 176.069 174.900 -0.039 0.000 1.142 180 G CA 0.172 45.256 45.100 -0.026 0.000 0.789 180 G HN 0.322 nan 8.290 nan 0.000 0.535 181 M N 0.258 119.827 119.600 -0.052 0.000 2.514 181 M HA 0.195 4.676 4.480 0.003 0.000 0.258 181 M C 1.365 177.621 176.300 -0.073 0.000 1.159 181 M CA -0.186 55.071 55.300 -0.071 0.000 1.116 181 M CB 0.352 32.893 32.600 -0.098 0.000 1.333 181 M HN 0.177 nan 8.290 nan 0.000 0.487 182 R N 1.142 121.607 120.500 -0.060 0.000 2.638 182 R HA -0.086 4.256 4.340 0.003 0.000 0.268 182 R C 0.773 177.051 176.300 -0.036 0.000 1.006 182 R CA 0.340 56.411 56.100 -0.048 0.000 1.088 182 R CB 0.288 30.587 30.300 -0.002 0.000 0.950 182 R HN -0.068 nan 8.270 nan 0.000 0.419 183 K N 1.938 122.317 120.400 -0.036 0.000 2.189 183 K HA -0.244 4.078 4.320 0.003 0.000 0.207 183 K C 1.278 177.867 176.600 -0.018 0.000 1.046 183 K CA 2.307 58.577 56.287 -0.029 0.000 0.928 183 K CB 0.068 32.553 32.500 -0.023 0.000 0.720 183 K HN 0.770 nan 8.250 nan 0.000 0.458 184 E N 0.763 120.957 120.200 -0.010 0.000 2.047 184 E HA -0.154 4.198 4.350 0.003 0.000 0.191 184 E C 0.378 176.973 176.600 -0.008 0.000 0.987 184 E CA 0.717 57.114 56.400 -0.005 0.000 0.799 184 E CB -0.714 28.987 29.700 0.003 0.000 0.752 184 E HN 0.377 nan 8.360 nan 0.000 0.449 185 E N 2.523 122.717 120.200 -0.011 0.000 2.614 185 E HA -0.046 4.306 4.350 0.003 0.000 0.245 185 E C -1.850 174.742 176.600 -0.014 0.000 1.039 185 E CA -1.093 55.300 56.400 -0.012 0.000 0.948 185 E CB 0.867 30.558 29.700 -0.016 0.000 0.937 185 E HN -0.121 nan 8.360 nan 0.000 0.498 186 P HA -0.037 nan 4.420 nan 0.000 0.229 186 P C -0.194 177.100 177.300 -0.011 0.000 1.160 186 P CA 0.427 63.522 63.100 -0.009 0.000 0.777 186 P CB 0.406 32.104 31.700 -0.004 0.000 0.814 187 S N 0.778 116.470 115.700 -0.013 0.000 2.423 187 S HA 0.092 4.564 4.470 0.003 0.000 0.302 187 S C 1.358 175.942 174.600 -0.027 0.000 1.143 187 S CA -0.497 57.693 58.200 -0.018 0.000 1.080 187 S CB -0.828 62.360 63.200 -0.020 0.000 1.081 187 S HN 0.014 nan 8.310 nan 0.000 0.522 188 N N 4.965 123.650 118.700 -0.026 0.000 2.166 188 N HA -0.115 4.627 4.740 0.003 0.000 0.186 188 N C 0.804 176.290 175.510 -0.040 0.000 1.019 188 N CA 1.054 54.086 53.050 -0.031 0.000 0.856 188 N CB -0.252 38.220 38.487 -0.025 0.000 0.993 188 N HN 0.597 nan 8.380 nan 0.000 0.426 189 N N 0.437 119.109 118.700 -0.046 0.000 2.459 189 N HA -0.020 4.721 4.740 0.003 0.000 0.181 189 N C 1.708 177.175 175.510 -0.072 0.000 1.046 189 N CA 0.222 53.234 53.050 -0.063 0.000 0.904 189 N CB -0.049 38.392 38.487 -0.078 0.000 0.964 189 N HN 0.066 nan 8.380 nan 0.000 0.444 190 V N 0.811 120.688 119.914 -0.062 0.000 2.500 190 V HA -0.056 4.065 4.120 0.003 0.000 0.243 190 V C 1.848 177.911 176.094 -0.052 0.000 1.039 190 V CA 1.147 63.413 62.300 -0.058 0.000 1.053 190 V CB -0.164 31.632 31.823 -0.046 0.000 0.695 190 V HN 0.181 nan 8.190 nan 0.000 0.463 191 K N 0.149 120.521 120.400 -0.048 0.000 2.103 191 K HA -0.194 4.128 4.320 0.003 0.000 0.207 191 K C 2.035 178.602 176.600 -0.055 0.000 1.048 191 K CA 1.420 57.677 56.287 -0.049 0.000 0.930 191 K CB -0.369 32.104 32.500 -0.046 0.000 0.716 191 K HN 0.251 nan 8.250 nan 0.000 0.444 192 L N 0.916 122.106 121.223 -0.055 0.000 2.093 192 L HA -0.068 4.273 4.340 0.003 0.000 0.208 192 L C 2.116 178.947 176.870 -0.065 0.000 1.085 192 L CA 1.640 56.445 54.840 -0.058 0.000 0.755 192 L CB -0.569 41.457 42.059 -0.055 0.000 0.904 192 L HN 0.126 nan 8.230 nan 0.000 0.435 193 A N -0.874 121.906 122.820 -0.067 0.000 2.014 193 A HA 0.092 4.414 4.320 0.003 0.000 0.218 193 A C 2.370 179.913 177.584 -0.068 0.000 1.163 193 A CA 1.321 53.315 52.037 -0.072 0.000 0.652 193 A CB -0.805 18.153 19.000 -0.069 0.000 0.808 193 A HN 0.536 nan 8.150 nan 0.000 0.449 194 A N -0.938 121.846 122.820 -0.060 0.000 1.898 194 A HA 0.023 4.345 4.320 0.003 0.000 0.214 194 A C 2.202 179.751 177.584 -0.059 0.000 1.183 194 A CA 1.895 53.899 52.037 -0.055 0.000 0.622 194 A CB -1.017 17.953 19.000 -0.051 0.000 0.824 194 A HN 0.380 nan 8.150 nan 0.000 0.444 195 T N 0.821 115.337 114.554 -0.063 0.000 2.962 195 T HA -0.084 4.267 4.350 0.003 0.000 0.270 195 T C 1.599 176.261 174.700 -0.063 0.000 1.088 195 T CA 1.375 63.437 62.100 -0.064 0.000 1.127 195 T CB -0.309 68.520 68.868 -0.065 0.000 0.883 195 T HN 0.435 nan 8.240 nan 0.000 0.493 196 N N 1.462 120.120 118.700 -0.071 0.000 2.251 196 N HA 0.157 4.898 4.740 0.003 0.000 0.181 196 N C 2.148 177.609 175.510 -0.083 0.000 1.019 196 N CA 1.103 54.103 53.050 -0.083 0.000 0.862 196 N CB -0.636 37.791 38.487 -0.101 0.000 0.992 196 N HN 0.399 nan 8.380 nan 0.000 0.429 197 A N 0.797 123.571 122.820 -0.077 0.000 1.933 197 A HA -0.075 4.246 4.320 0.003 0.000 0.218 197 A C 2.185 179.756 177.584 -0.021 0.000 1.175 197 A CA 0.978 52.979 52.037 -0.060 0.000 0.628 197 A CB -0.667 18.303 19.000 -0.050 0.000 0.814 197 A HN 0.257 nan 8.150 nan 0.000 0.444 198 L N -0.932 120.277 121.223 -0.022 0.000 2.093 198 L HA -0.045 4.297 4.340 0.003 0.000 0.208 198 L C 2.127 179.001 176.870 0.007 0.000 1.085 198 L CA 1.576 56.417 54.840 0.001 0.000 0.755 198 L CB -0.417 41.630 42.059 -0.019 0.000 0.904 198 L HN 0.321 nan 8.230 nan 0.000 0.435 199 L N -0.031 121.178 121.223 -0.022 0.000 2.261 199 L HA -0.161 4.181 4.340 0.003 0.000 0.216 199 L C 1.523 178.378 176.870 -0.025 0.000 1.114 199 L CA 1.653 56.473 54.840 -0.033 0.000 0.777 199 L CB -0.841 41.182 42.059 -0.060 0.000 0.910 199 L HN 0.404 nan 8.230 nan 0.000 0.440 200 N N -1.851 116.844 118.700 -0.008 0.000 2.254 200 N HA 0.043 4.785 4.740 0.003 0.000 0.190 200 N C 1.525 177.079 175.510 0.073 0.000 1.107 200 N CA 0.845 53.906 53.050 0.018 0.000 0.869 200 N CB 0.186 38.677 38.487 0.008 0.000 0.983 200 N HN 0.474 nan 8.380 nan 0.000 0.487 201 S N -0.526 115.231 115.700 0.095 0.000 2.524 201 S HA 0.211 4.683 4.470 0.003 0.000 0.215 201 S C 1.532 176.195 174.600 0.105 0.000 0.986 201 S CA -0.255 58.074 58.200 0.215 0.000 0.911 201 S CB -0.246 63.086 63.200 0.220 0.000 0.805 201 S HN 0.098 nan 8.310 nan 0.000 0.501 202 L N 1.548 122.791 121.223 0.033 0.000 2.447 202 L HA -0.065 4.276 4.340 0.003 0.000 0.225 202 L C 2.333 179.165 176.870 -0.062 0.000 1.148 202 L CA 0.902 55.783 54.840 0.069 0.000 0.808 202 L CB -0.531 41.566 42.059 0.062 0.000 0.928 202 L HN 0.339 nan 8.230 nan 0.000 0.448 203 E N 0.427 120.397 120.200 -0.384 0.000 2.150 203 E HA -0.137 4.214 4.350 0.003 0.000 0.193 203 E C 0.565 176.803 176.600 -0.603 0.000 0.985 203 E CA 1.123 57.114 56.400 -0.682 0.000 0.814 203 E CB -0.141 28.843 29.700 -1.192 0.000 0.752 203 E HN 0.507 nan 8.360 nan 0.000 0.466 204 F N 0.795 120.805 119.950 0.099 0.000 2.664 204 F HA 0.317 4.846 4.527 0.002 0.000 0.322 204 F C 0.551 176.431 175.800 0.132 0.000 1.324 204 F CA -0.481 57.579 58.000 0.100 0.000 1.154 204 F CB 0.324 39.363 39.000 0.066 0.000 1.236 204 F HN -0.201 nan 8.300 nan 0.000 0.532 205 T N -4.375 110.356 114.554 0.294 0.000 3.399 205 T HA 0.208 4.559 4.350 0.003 0.000 0.305 205 T C 1.284 176.173 174.700 0.315 0.000 0.983 205 T CA -0.401 61.876 62.100 0.295 0.000 0.967 205 T CB 0.144 69.218 68.868 0.344 0.000 1.186 205 T HN -0.023 nan 8.240 nan 0.000 0.504 206 K N 2.747 123.334 120.400 0.313 0.000 1.987 206 K HA 0.173 4.495 4.320 0.003 0.000 0.216 206 K C 2.516 179.226 176.600 0.183 0.000 1.051 206 K CA 1.956 58.430 56.287 0.311 0.000 0.942 206 K CB -0.989 31.652 32.500 0.236 0.000 0.722 206 K HN 0.491 nan 8.250 nan 0.000 0.444 207 A N 0.919 123.819 122.820 0.133 0.000 2.076 207 A HA -0.212 4.109 4.320 0.003 0.000 0.220 207 A C 1.728 179.325 177.584 0.021 0.000 1.160 207 A CA 1.937 54.019 52.037 0.075 0.000 0.653 207 A CB -0.661 18.380 19.000 0.068 0.000 0.801 207 A HN 0.437 nan 8.150 nan 0.000 0.455 208 N N -1.610 117.098 118.700 0.014 0.000 2.197 208 N HA -0.001 4.740 4.740 0.003 0.000 0.184 208 N C 1.300 176.675 175.510 -0.226 0.000 1.030 208 N CA 1.026 54.025 53.050 -0.086 0.000 0.851 208 N CB -0.223 38.214 38.487 -0.084 0.000 1.003 208 N HN 0.450 nan 8.380 nan 0.000 0.430 209 F N 1.990 121.729 119.950 -0.351 0.000 2.365 209 F HA -0.097 4.432 4.527 0.003 0.000 0.300 209 F C 1.892 177.282 175.800 -0.683 0.000 1.090 209 F CA 0.885 58.527 58.000 -0.597 0.000 1.408 209 F CB -0.005 38.319 39.000 -1.128 0.000 1.060 209 F HN -0.022 nan 8.300 nan 0.000 0.534 210 D N 0.193 120.429 120.400 -0.274 0.000 2.097 210 D HA -0.097 4.545 4.640 0.003 0.000 0.197 210 D C 0.757 176.959 176.300 -0.164 0.000 0.984 210 D CA 1.078 54.934 54.000 -0.240 0.000 0.826 210 D CB -0.286 40.516 40.800 0.003 0.000 0.973 210 D HN 0.143 nan 8.370 nan 0.000 0.460 211 K N 1.843 122.174 120.400 -0.115 0.000 2.336 211 K HA 0.027 4.349 4.320 0.003 0.000 0.290 211 K C 1.045 177.593 176.600 -0.087 0.000 1.067 211 K CA -0.030 56.214 56.287 -0.072 0.000 0.962 211 K CB 1.009 33.477 32.500 -0.054 0.000 1.008 211 K HN 0.088 nan 8.250 nan 0.000 0.467 212 E N 2.351 122.529 120.200 -0.038 0.000 2.130 212 E HA -0.281 4.071 4.350 0.003 0.000 0.196 212 E C 1.395 178.011 176.600 0.027 0.000 0.998 212 E CA 1.952 58.357 56.400 0.007 0.000 0.806 212 E CB 0.182 29.906 29.700 0.040 0.000 0.738 212 E HN 0.673 nan 8.360 nan 0.000 0.459 213 S N 0.245 115.945 115.700 0.001 0.000 2.370 213 S HA -0.224 4.248 4.470 0.003 0.000 0.226 213 S C 1.803 176.426 174.600 0.038 0.000 1.033 213 S CA 1.528 59.736 58.200 0.012 0.000 1.011 213 S CB -0.318 62.868 63.200 -0.024 0.000 0.852 213 S HN 0.371 nan 8.310 nan 0.000 0.457 214 E N 0.735 120.924 120.200 -0.019 0.000 2.140 214 E HA 0.046 4.398 4.350 0.003 0.000 0.191 214 E C 2.405 178.937 176.600 -0.114 0.000 0.973 214 E CA 0.166 56.555 56.400 -0.019 0.000 0.829 214 E CB -0.159 29.498 29.700 -0.072 0.000 0.781 214 E HN 0.471 nan 8.360 nan 0.000 0.466 215 R N 0.976 121.331 120.500 -0.242 0.000 2.082 215 R HA -0.241 4.100 4.340 0.003 0.000 0.234 215 R C 2.341 178.501 176.300 -0.234 0.000 1.136 215 R CA 2.173 57.992 56.100 -0.468 0.000 0.935 215 R CB -0.511 29.588 30.300 -0.335 0.000 0.842 215 R HN 0.257 nan 8.270 nan 0.000 0.430 216 H N -0.551 118.502 119.070 -0.028 0.000 2.426 216 H HA -0.193 4.364 4.556 0.003 0.000 0.298 216 H C 1.719 177.086 175.328 0.066 0.000 1.107 216 H CA 2.156 58.276 56.048 0.120 0.000 1.298 216 H CB -0.374 29.480 29.762 0.154 0.000 1.377 216 H HN 0.325 nan 8.280 nan 0.000 0.519 217 F N 0.437 120.272 119.950 -0.192 0.000 2.206 217 F HA -0.028 4.500 4.527 0.002 0.000 0.298 217 F C 2.000 177.639 175.800 -0.268 0.000 1.090 217 F CA 1.221 59.084 58.000 -0.230 0.000 1.323 217 F CB -0.426 38.501 39.000 -0.122 0.000 1.028 217 F HN 0.221 nan 8.300 nan 0.000 0.492 218 I N -0.314 119.980 120.570 -0.460 0.000 2.163 218 I HA -0.324 3.848 4.170 0.003 0.000 0.240 218 I C 2.375 178.225 176.117 -0.445 0.000 1.081 218 I CA 1.052 62.025 61.300 -0.545 0.000 1.353 218 I CB -0.542 37.111 38.000 -0.578 0.000 1.054 218 I HN 0.098 nan 8.210 nan 0.000 0.407 219 M N 0.083 119.431 119.600 -0.420 0.000 2.106 219 M HA -0.235 4.247 4.480 0.003 0.000 0.259 219 M C 2.301 178.423 176.300 -0.297 0.000 1.068 219 M CA 1.719 56.799 55.300 -0.367 0.000 1.100 219 M CB -1.403 30.841 32.600 -0.593 0.000 1.351 219 M HN 0.297 nan 8.290 nan 0.000 0.404 220 Q N 0.183 119.780 119.800 -0.339 0.000 2.030 220 Q HA -0.118 4.224 4.340 0.003 0.000 0.204 220 Q C 2.389 178.236 176.000 -0.254 0.000 0.986 220 Q CA 1.510 57.145 55.803 -0.279 0.000 0.843 220 Q CB -0.682 27.851 28.738 -0.342 0.000 0.904 220 Q HN 0.425 nan 8.270 nan 0.000 0.420 221 V N 0.196 119.892 119.914 -0.365 0.000 2.287 221 V HA -0.244 3.878 4.120 0.003 0.000 0.248 221 V C 2.556 178.517 176.094 -0.223 0.000 1.053 221 V CA 1.625 63.731 62.300 -0.324 0.000 1.027 221 V CB -0.777 30.761 31.823 -0.475 0.000 0.646 221 V HN 0.105 nan 8.190 nan 0.000 0.447 222 V N -0.817 118.964 119.914 -0.221 0.000 2.261 222 V HA -0.306 3.816 4.120 0.003 0.000 0.246 222 V C 2.572 178.588 176.094 -0.130 0.000 1.047 222 V CA 2.363 64.569 62.300 -0.156 0.000 1.015 222 V CB -0.856 30.884 31.823 -0.138 0.000 0.642 222 V HN 0.652 nan 8.190 nan 0.000 0.446 223 C N -0.215 119.005 119.300 -0.133 0.000 2.413 223 C HA -0.197 4.264 4.460 0.003 0.000 0.276 223 C C 2.761 177.698 174.990 -0.089 0.000 1.248 223 C CA 1.431 60.387 59.018 -0.104 0.000 1.742 223 C CB -1.028 26.661 27.740 -0.084 0.000 2.017 223 C HN 0.702 nan 8.230 nan 0.000 0.481 224 E N 0.712 120.855 120.200 -0.095 0.000 2.204 224 E HA -0.123 4.229 4.350 0.003 0.000 0.194 224 E C 2.089 178.644 176.600 -0.075 0.000 0.989 224 E CA 1.060 57.414 56.400 -0.076 0.000 0.824 224 E CB -0.084 29.569 29.700 -0.078 0.000 0.756 224 E HN 0.640 nan 8.360 nan 0.000 0.477 225 A N 0.395 123.161 122.820 -0.089 0.000 2.021 225 A HA -0.095 4.227 4.320 0.003 0.000 0.216 225 A C 2.328 179.870 177.584 -0.072 0.000 1.163 225 A CA 1.444 53.433 52.037 -0.080 0.000 0.676 225 A CB -0.789 18.155 19.000 -0.092 0.000 0.818 225 A HN 0.460 nan 8.150 nan 0.000 0.453 226 T N -2.245 112.263 114.554 -0.077 0.000 2.881 226 T HA -0.123 4.228 4.350 0.003 0.000 0.270 226 T C 0.945 175.608 174.700 -0.063 0.000 1.068 226 T CA 1.197 63.252 62.100 -0.074 0.000 1.131 226 T CB -0.309 68.507 68.868 -0.088 0.000 0.871 226 T HN 0.346 nan 8.240 nan 0.000 0.479 227 Q N 1.002 120.767 119.800 -0.058 0.000 3.122 227 Q HA 0.339 4.681 4.340 0.003 0.000 0.360 227 Q C -0.450 175.525 176.000 -0.041 0.000 1.300 227 Q CA -0.174 55.601 55.803 -0.047 0.000 0.982 227 Q CB -0.441 28.272 28.738 -0.042 0.000 1.534 227 Q HN 0.570 nan 8.270 nan 0.000 0.474 228 C N 0.574 119.849 119.300 -0.042 0.000 2.417 228 C HA 0.506 4.968 4.460 0.003 0.000 0.324 228 C C -1.226 173.745 174.990 -0.032 0.000 1.240 228 C CA -1.930 57.066 59.018 -0.037 0.000 1.632 228 C CB 1.013 28.728 27.740 -0.042 0.000 2.241 228 C HN 0.336 nan 8.230 nan 0.000 0.499 229 P HA -0.090 nan 4.420 nan 0.000 0.216 229 P C -0.054 177.232 177.300 -0.023 0.000 1.153 229 P CA 1.273 64.359 63.100 -0.023 0.000 0.858 229 P CB -0.084 31.605 31.700 -0.019 0.000 0.789 230 D N -0.961 119.424 120.400 -0.025 0.000 2.368 230 D HA -0.018 4.623 4.640 0.003 0.000 0.268 230 D C 0.958 177.241 176.300 -0.028 0.000 1.298 230 D CA 0.562 54.547 54.000 -0.026 0.000 0.938 230 D CB 0.042 40.825 40.800 -0.028 0.000 1.101 230 D HN -0.032 nan 8.370 nan 0.000 0.509 231 T N 3.652 118.191 114.554 -0.025 0.000 2.778 231 T HA -0.195 4.157 4.350 0.003 0.000 0.269 231 T C 1.874 176.557 174.700 -0.029 0.000 1.050 231 T CA 1.150 63.235 62.100 -0.026 0.000 1.137 231 T CB 0.050 68.905 68.868 -0.022 0.000 0.860 231 T HN 0.425 nan 8.240 nan 0.000 0.468 232 R N 0.280 120.763 120.500 -0.029 0.000 2.066 232 R HA -0.007 4.335 4.340 0.003 0.000 0.232 232 R C 2.530 178.807 176.300 -0.039 0.000 1.131 232 R CA 0.977 57.058 56.100 -0.032 0.000 0.955 232 R CB -0.656 29.625 30.300 -0.032 0.000 0.851 232 R HN 0.248 nan 8.270 nan 0.000 0.432 233 V N 1.290 121.179 119.914 -0.041 0.000 2.392 233 V HA -0.254 3.868 4.120 0.003 0.000 0.249 233 V C 2.436 178.501 176.094 -0.049 0.000 1.059 233 V CA 1.552 63.824 62.300 -0.047 0.000 1.051 233 V CB -0.585 31.210 31.823 -0.047 0.000 0.658 233 V HN 0.283 nan 8.190 nan 0.000 0.455 234 R N -0.031 120.442 120.500 -0.045 0.000 2.094 234 R HA -0.170 4.172 4.340 0.003 0.000 0.239 234 R C 2.280 178.551 176.300 -0.048 0.000 1.137 234 R CA 1.905 57.977 56.100 -0.048 0.000 0.943 234 R CB -0.811 29.463 30.300 -0.042 0.000 0.850 234 R HN 0.471 nan 8.270 nan 0.000 0.433 235 V N 0.832 120.722 119.914 -0.040 0.000 2.237 235 V HA -0.249 3.872 4.120 0.003 0.000 0.245 235 V C 2.552 178.621 176.094 -0.043 0.000 1.046 235 V CA 1.987 64.265 62.300 -0.036 0.000 1.007 235 V CB -1.008 30.798 31.823 -0.029 0.000 0.638 235 V HN 0.426 nan 8.190 nan 0.000 0.445 236 A N -0.161 122.630 122.820 -0.048 0.000 1.986 236 A HA -0.192 4.129 4.320 0.003 0.000 0.220 236 A C 2.352 179.902 177.584 -0.057 0.000 1.171 236 A CA 2.430 54.434 52.037 -0.054 0.000 0.640 236 A CB -0.716 18.250 19.000 -0.058 0.000 0.811 236 A HN 0.618 nan 8.150 nan 0.000 0.451 237 A N -0.329 122.456 122.820 -0.058 0.000 1.854 237 A HA 0.071 4.393 4.320 0.003 0.000 0.214 237 A C 2.129 179.676 177.584 -0.062 0.000 1.192 237 A CA 1.272 53.269 52.037 -0.065 0.000 0.611 237 A CB -0.636 18.320 19.000 -0.072 0.000 0.832 237 A HN 0.444 nan 8.150 nan 0.000 0.442 238 L N -0.766 120.421 121.223 -0.061 0.000 2.079 238 L HA -0.285 4.056 4.340 0.003 0.000 0.210 238 L C 2.886 179.742 176.870 -0.025 0.000 1.081 238 L CA 1.817 56.623 54.840 -0.057 0.000 0.752 238 L CB -0.575 41.451 42.059 -0.055 0.000 0.896 238 L HN 0.526 nan 8.230 nan 0.000 0.433 239 Q N 0.062 119.842 119.800 -0.033 0.000 2.135 239 Q HA -0.232 4.110 4.340 0.003 0.000 0.204 239 Q C 1.932 177.905 176.000 -0.044 0.000 0.981 239 Q CA 1.920 57.700 55.803 -0.040 0.000 0.856 239 Q CB 0.019 28.722 28.738 -0.058 0.000 0.902 239 Q HN 0.525 nan 8.270 nan 0.000 0.425 240 N N -0.359 118.317 118.700 -0.041 0.000 2.142 240 N HA -0.095 4.647 4.740 0.003 0.000 0.186 240 N C 1.428 176.932 175.510 -0.011 0.000 1.023 240 N CA 0.792 53.824 53.050 -0.031 0.000 0.852 240 N CB 0.020 38.487 38.487 -0.033 0.000 0.998 240 N HN 0.160 nan 8.380 nan 0.000 0.424 241 L N 0.025 121.247 121.223 -0.001 0.000 2.353 241 L HA -0.114 4.227 4.340 0.003 0.000 0.220 241 L C 1.609 178.559 176.870 0.135 0.000 1.133 241 L CA 0.491 55.359 54.840 0.046 0.000 0.798 241 L CB -0.222 41.832 42.059 -0.007 0.000 0.922 241 L HN 0.128 nan 8.230 nan 0.000 0.445 242 V N -1.061 118.900 119.914 0.078 0.000 2.379 242 V HA -0.143 3.979 4.120 0.003 0.000 0.243 242 V C 2.486 178.529 176.094 -0.086 0.000 1.035 242 V CA 1.197 63.496 62.300 -0.002 0.000 1.035 242 V CB -0.361 31.451 31.823 -0.018 0.000 0.673 242 V HN 0.302 nan 8.190 nan 0.000 0.457 243 K N 0.121 120.474 120.400 -0.078 0.000 2.097 243 K HA -0.003 4.319 4.320 0.003 0.000 0.205 243 K C 2.044 178.595 176.600 -0.082 0.000 1.050 243 K CA 1.317 57.548 56.287 -0.092 0.000 0.938 243 K CB -0.267 32.179 32.500 -0.089 0.000 0.718 243 K HN 0.426 nan 8.250 nan 0.000 0.442 244 I N 0.654 121.197 120.570 -0.045 0.000 2.252 244 I HA -0.281 3.891 4.170 0.003 0.000 0.245 244 I C 2.464 178.563 176.117 -0.029 0.000 1.102 244 I CA 0.776 62.057 61.300 -0.031 0.000 1.385 244 I CB -0.214 37.784 38.000 -0.004 0.000 1.064 244 I HN 0.122 nan 8.210 nan 0.000 0.414 245 M N 0.548 120.118 119.600 -0.050 0.000 2.267 245 M HA -0.159 4.323 4.480 0.003 0.000 0.263 245 M C 2.120 178.396 176.300 -0.040 0.000 1.063 245 M CA 1.792 57.041 55.300 -0.085 0.000 1.090 245 M CB -0.435 31.994 32.600 -0.285 0.000 1.392 245 M HN 0.027 nan 8.290 nan 0.000 0.422 246 S N -0.293 115.350 115.700 -0.094 0.000 2.355 246 S HA 0.096 4.568 4.470 0.003 0.000 0.216 246 S C 1.661 176.170 174.600 -0.152 0.000 1.037 246 S CA 0.623 58.758 58.200 -0.108 0.000 0.955 246 S CB -0.475 62.656 63.200 -0.114 0.000 0.877 246 S HN 0.456 nan 8.310 nan 0.000 0.488 247 L N 0.470 121.538 121.223 -0.259 0.000 2.131 247 L HA 0.029 4.371 4.340 0.003 0.000 0.210 247 L C 0.014 176.423 176.870 -0.768 0.000 1.092 247 L CA 1.861 56.367 54.840 -0.556 0.000 0.759 247 L CB -0.592 41.029 42.059 -0.730 0.000 0.903 247 L HN 0.418 nan 8.230 nan 0.000 0.435 248 Y N -2.828 117.396 120.300 -0.128 0.000 2.577 248 Y HA 0.064 4.616 4.550 0.003 0.000 0.307 248 Y C 1.077 177.026 175.900 0.080 0.000 0.940 248 Y CA -0.785 57.297 58.100 -0.031 0.000 1.132 248 Y CB -0.665 37.623 38.460 -0.287 0.000 1.184 248 Y HN -0.007 nan 8.280 nan 0.000 0.611 249 Y N 1.744 122.075 120.300 0.051 0.000 2.315 249 Y HA -0.302 4.250 4.550 0.003 0.000 0.288 249 Y C 2.124 178.089 175.900 0.107 0.000 1.154 249 Y CA 2.122 60.247 58.100 0.042 0.000 1.229 249 Y CB 0.284 38.743 38.460 -0.001 0.000 0.980 249 Y HN 0.453 nan 8.280 nan 0.000 0.540 250 Q N -1.854 118.065 119.800 0.198 0.000 2.230 250 Q HA -0.174 4.167 4.340 0.003 0.000 0.202 250 Q C 0.590 176.476 176.000 -0.188 0.000 0.963 250 Q CA 1.452 57.238 55.803 -0.028 0.000 0.866 250 Q CB -0.548 28.128 28.738 -0.103 0.000 0.931 250 Q HN 0.623 nan 8.270 nan 0.000 0.452 251 Y N -0.372 120.012 120.300 0.140 0.000 2.625 251 Y HA 0.268 4.820 4.550 0.003 0.000 0.285 251 Y C 1.328 177.364 175.900 0.226 0.000 1.168 251 Y CA -0.143 58.069 58.100 0.186 0.000 1.250 251 Y CB 0.625 39.238 38.460 0.254 0.000 1.130 251 Y HN 0.090 nan 8.280 nan 0.000 0.526 252 M N -0.773 118.933 119.600 0.176 0.000 2.465 252 M HA 0.025 4.507 4.480 0.003 0.000 0.249 252 M C 1.923 178.292 176.300 0.115 0.000 1.130 252 M CA 0.524 55.904 55.300 0.133 0.000 1.067 252 M CB -0.246 32.265 32.600 -0.149 0.000 1.394 252 M HN 0.409 nan 8.290 nan 0.000 0.483 253 E N 0.924 121.189 120.200 0.107 0.000 2.110 253 E HA -0.158 4.194 4.350 0.003 0.000 0.193 253 E C 1.059 177.713 176.600 0.090 0.000 0.988 253 E CA 1.682 58.180 56.400 0.163 0.000 0.804 253 E CB 0.224 30.010 29.700 0.143 0.000 0.745 253 E HN 0.462 nan 8.360 nan 0.000 0.458 254 T N -2.278 112.277 114.554 0.001 0.000 3.380 254 T HA 0.027 4.378 4.350 0.003 0.000 0.250 254 T C 0.398 174.767 174.700 -0.553 0.000 1.082 254 T CA 0.129 62.077 62.100 -0.254 0.000 0.968 254 T CB -0.222 68.432 68.868 -0.357 0.000 1.027 254 T HN 0.253 nan 8.240 nan 0.000 0.575 255 Y N -1.804 118.531 120.300 0.058 0.000 2.450 255 Y HA 0.337 4.889 4.550 0.003 0.000 0.279 255 Y C 1.783 177.704 175.900 0.036 0.000 1.106 255 Y CA -0.589 57.538 58.100 0.046 0.000 1.143 255 Y CB -0.211 38.273 38.460 0.038 0.000 1.328 255 Y HN 0.138 nan 8.280 nan 0.000 0.553 256 M N 1.365 121.062 119.600 0.161 0.000 2.399 256 M HA -0.103 4.378 4.480 0.003 0.000 0.263 256 M C 2.284 178.701 176.300 0.195 0.000 1.067 256 M CA 2.657 58.034 55.300 0.129 0.000 1.084 256 M CB -1.146 31.494 32.600 0.068 0.000 1.252 256 M HN 0.291 nan 8.290 nan 0.000 0.454 257 G N -0.473 108.419 108.800 0.153 0.000 2.586 257 G HA2 -0.217 3.745 3.960 0.003 0.000 0.218 257 G HA3 -0.217 3.745 3.960 0.003 0.000 0.218 257 G C -0.784 174.175 174.900 0.097 0.000 1.216 257 G CA 1.077 46.226 45.100 0.082 0.000 0.786 257 G HN 0.502 nan 8.290 nan 0.000 0.583 258 P HA 0.033 nan 4.420 nan 0.000 0.214 258 P C 1.748 179.105 177.300 0.094 0.000 1.163 258 P CA 2.505 65.647 63.100 0.069 0.000 0.883 258 P CB -0.013 31.715 31.700 0.047 0.000 0.788 259 A N -1.834 121.056 122.820 0.117 0.000 2.068 259 A HA 0.154 4.476 4.320 0.003 0.000 0.206 259 A C 2.094 179.713 177.584 0.058 0.000 1.822 259 A CA 0.083 52.175 52.037 0.091 0.000 0.899 259 A CB -1.102 17.967 19.000 0.115 0.000 1.251 259 A HN -0.043 nan 8.150 nan 0.000 0.599 260 L N -0.980 120.278 121.223 0.059 0.000 1.978 260 L HA -0.234 4.108 4.340 0.003 0.000 0.218 260 L C 2.525 179.354 176.870 -0.068 0.000 1.075 260 L CA 2.326 57.127 54.840 -0.065 0.000 0.767 260 L CB -0.793 41.244 42.059 -0.036 0.000 0.890 260 L HN 0.527 nan 8.230 nan 0.000 0.434 261 F N 0.723 120.672 119.950 -0.001 0.000 2.154 261 F HA -0.293 4.236 4.527 0.003 0.000 0.301 261 F C 2.355 178.174 175.800 0.031 0.000 1.087 261 F CA 1.411 59.487 58.000 0.126 0.000 1.274 261 F CB -0.167 38.930 39.000 0.163 0.000 1.009 261 F HN 0.031 nan 8.300 nan 0.000 0.485 262 A N 0.537 123.400 122.820 0.071 0.000 1.897 262 A HA -0.077 4.245 4.320 0.003 0.000 0.215 262 A C 2.266 179.771 177.584 -0.131 0.000 1.181 262 A CA 1.711 53.729 52.037 -0.033 0.000 0.620 262 A CB -1.018 18.008 19.000 0.044 0.000 0.821 262 A HN 0.474 nan 8.150 nan 0.000 0.443 263 I N 0.323 120.809 120.570 -0.140 0.000 2.202 263 I HA -0.216 3.956 4.170 0.003 0.000 0.242 263 I C 2.893 178.875 176.117 -0.226 0.000 1.091 263 I CA 1.839 63.036 61.300 -0.170 0.000 1.368 263 I CB -0.731 37.161 38.000 -0.181 0.000 1.058 263 I HN 0.545 nan 8.210 nan 0.000 0.410 264 T N -0.203 114.150 114.554 -0.336 0.000 2.737 264 T HA -0.117 4.235 4.350 0.003 0.000 0.265 264 T C 1.846 176.464 174.700 -0.136 0.000 1.038 264 T CA 0.866 62.767 62.100 -0.332 0.000 1.144 264 T CB -0.598 67.873 68.868 -0.662 0.000 0.866 264 T HN 0.048 nan 8.240 nan 0.000 0.434 265 I N 2.451 122.898 120.570 -0.206 0.000 2.264 265 I HA -0.076 4.096 4.170 0.003 0.000 0.248 265 I C 2.611 178.635 176.117 -0.155 0.000 1.111 265 I CA 1.337 62.490 61.300 -0.244 0.000 1.382 265 I CB -0.729 36.950 38.000 -0.534 0.000 1.060 265 I HN 0.347 nan 8.210 nan 0.000 0.418 266 E N 0.715 120.828 120.200 -0.146 0.000 2.072 266 E HA -0.119 4.233 4.350 0.003 0.000 0.190 266 E C 2.232 178.786 176.600 -0.077 0.000 0.982 266 E CA 1.436 57.778 56.400 -0.097 0.000 0.803 266 E CB -0.327 29.321 29.700 -0.087 0.000 0.755 266 E HN 0.387 nan 8.360 nan 0.000 0.453 267 A N 0.655 123.424 122.820 -0.084 0.000 1.908 267 A HA -0.203 4.119 4.320 0.003 0.000 0.218 267 A C 2.305 179.864 177.584 -0.042 0.000 1.181 267 A CA 2.010 54.009 52.037 -0.063 0.000 0.627 267 A CB -0.649 18.307 19.000 -0.073 0.000 0.818 267 A HN 0.389 nan 8.150 nan 0.000 0.445 268 M N 0.070 119.650 119.600 -0.033 0.000 2.149 268 M HA -0.150 4.332 4.480 0.003 0.000 0.261 268 M C 1.239 177.514 176.300 -0.042 0.000 1.064 268 M CA 1.867 57.153 55.300 -0.023 0.000 1.102 268 M CB -0.365 32.228 32.600 -0.012 0.000 1.369 268 M HN 0.515 nan 8.290 nan 0.000 0.408 269 K N -0.036 120.336 120.400 -0.047 0.000 2.994 269 K HA 0.290 4.612 4.320 0.003 0.000 0.231 269 K C -0.292 176.283 176.600 -0.041 0.000 1.174 269 K CA -0.149 56.111 56.287 -0.045 0.000 1.221 269 K CB 0.350 32.826 32.500 -0.040 0.000 1.166 269 K HN -0.112 nan 8.250 nan 0.000 0.453 270 S N 1.967 117.642 115.700 -0.043 0.000 2.437 270 S HA 0.079 4.550 4.470 0.003 0.000 0.305 270 S C 0.317 174.893 174.600 -0.040 0.000 1.109 270 S CA -0.773 57.404 58.200 -0.039 0.000 1.099 270 S CB 0.983 64.160 63.200 -0.038 0.000 1.004 270 S HN 0.525 nan 8.310 nan 0.000 0.475 271 D N 3.907 124.286 120.400 -0.035 0.000 2.390 271 D HA -0.015 4.627 4.640 0.003 0.000 0.235 271 D C 0.233 176.513 176.300 -0.034 0.000 1.040 271 D CA 0.388 54.367 54.000 -0.036 0.000 0.923 271 D CB -0.437 40.345 40.800 -0.029 0.000 0.886 271 D HN 0.512 nan 8.370 nan 0.000 0.532 272 I N 1.306 121.856 120.570 -0.033 0.000 2.306 272 I HA 0.055 4.227 4.170 0.003 0.000 0.288 272 I C 0.554 176.651 176.117 -0.033 0.000 1.036 272 I CA -0.703 60.580 61.300 -0.030 0.000 1.221 272 I CB 1.430 39.414 38.000 -0.026 0.000 1.385 272 I HN -0.319 nan 8.210 nan 0.000 0.472 273 D N 3.823 124.202 120.400 -0.035 0.000 2.127 273 D HA -0.255 4.387 4.640 0.003 0.000 0.190 273 D C 1.782 178.065 176.300 -0.029 0.000 1.000 273 D CA 1.663 55.638 54.000 -0.042 0.000 0.839 273 D CB 0.146 40.921 40.800 -0.041 0.000 0.955 273 D HN 0.570 nan 8.370 nan 0.000 0.446 274 E N 0.429 120.620 120.200 -0.015 0.000 2.065 274 E HA -0.162 4.189 4.350 0.003 0.000 0.201 274 E C 2.114 178.712 176.600 -0.003 0.000 1.016 274 E CA 0.953 57.352 56.400 -0.002 0.000 0.818 274 E CB -0.339 29.359 29.700 -0.003 0.000 0.749 274 E HN 0.092 nan 8.360 nan 0.000 0.453 275 V N 0.634 120.539 119.914 -0.015 0.000 2.295 275 V HA -0.289 3.832 4.120 0.003 0.000 0.246 275 V C 2.356 178.441 176.094 -0.016 0.000 1.049 275 V CA 1.922 64.210 62.300 -0.020 0.000 1.024 275 V CB -1.025 30.780 31.823 -0.029 0.000 0.648 275 V HN 0.475 nan 8.190 nan 0.000 0.447 276 A N -0.366 122.440 122.820 -0.023 0.000 1.940 276 A HA -0.181 4.141 4.320 0.003 0.000 0.219 276 A C 2.166 179.746 177.584 -0.006 0.000 1.176 276 A CA 1.761 53.783 52.037 -0.025 0.000 0.631 276 A CB -0.602 18.369 19.000 -0.047 0.000 0.814 276 A HN 0.531 nan 8.150 nan 0.000 0.446 277 L N -0.683 120.540 121.223 0.001 0.000 2.362 277 L HA -0.170 4.171 4.340 0.003 0.000 0.219 277 L C 2.547 179.471 176.870 0.091 0.000 1.134 277 L CA 0.701 55.568 54.840 0.044 0.000 0.807 277 L CB -0.275 41.829 42.059 0.075 0.000 0.927 277 L HN 0.432 nan 8.230 nan 0.000 0.447 278 Q N -0.738 119.098 119.800 0.059 0.000 2.250 278 Q HA 0.032 4.374 4.340 0.003 0.000 0.200 278 Q C 2.265 178.321 176.000 0.093 0.000 0.941 278 Q CA 1.167 57.008 55.803 0.065 0.000 0.872 278 Q CB -0.098 28.653 28.738 0.022 0.000 0.965 278 Q HN 0.482 nan 8.270 nan 0.000 0.480 279 G N 1.051 109.893 108.800 0.070 0.000 2.408 279 G HA2 -0.151 3.811 3.960 0.003 0.000 0.217 279 G HA3 -0.151 3.811 3.960 0.003 0.000 0.217 279 G C 1.534 176.577 174.900 0.238 0.000 1.150 279 G CA 0.345 45.508 45.100 0.105 0.000 0.776 279 G HN 0.255 nan 8.290 nan 0.000 0.542 280 I N 0.414 121.088 120.570 0.174 0.000 2.333 280 I HA -0.035 4.137 4.170 0.003 0.000 0.246 280 I C 2.562 178.815 176.117 0.227 0.000 1.106 280 I CA 1.279 62.696 61.300 0.194 0.000 1.411 280 I CB -0.197 37.861 38.000 0.098 0.000 1.082 280 I HN 0.219 nan 8.210 nan 0.000 0.420 281 E N 1.707 122.025 120.200 0.196 0.000 2.085 281 E HA -0.297 4.055 4.350 0.003 0.000 0.194 281 E C 2.060 178.737 176.600 0.128 0.000 0.994 281 E CA 1.675 58.171 56.400 0.160 0.000 0.801 281 E CB -0.406 29.368 29.700 0.123 0.000 0.743 281 E HN 0.418 nan 8.360 nan 0.000 0.453 282 F N -0.645 119.303 119.950 -0.003 0.000 2.046 282 F HA -0.139 4.390 4.527 0.003 0.000 0.297 282 F C 1.674 177.394 175.800 -0.133 0.000 1.123 282 F CA 2.069 59.993 58.000 -0.128 0.000 1.199 282 F CB -0.547 38.312 39.000 -0.235 0.000 0.972 282 F HN 0.093 nan 8.300 nan 0.000 0.474 283 W N 0.289 121.718 121.300 0.214 0.000 2.467 283 W HA -0.063 4.598 4.660 0.003 0.000 0.275 283 W C 2.684 179.215 176.519 0.021 0.000 1.239 283 W CA 1.148 58.556 57.345 0.105 0.000 1.266 283 W CB -0.652 28.942 29.460 0.225 0.000 1.112 283 W HN -0.096 nan 8.180 nan 0.000 0.576 284 S N 0.124 115.966 115.700 0.238 0.000 2.419 284 S HA -0.221 4.250 4.470 0.003 0.000 0.233 284 S C 1.525 176.154 174.600 0.048 0.000 1.016 284 S CA 1.572 59.861 58.200 0.147 0.000 0.974 284 S CB -0.472 62.819 63.200 0.152 0.000 0.786 284 S HN 0.329 nan 8.310 nan 0.000 0.492 285 N N 1.206 119.878 118.700 -0.047 0.000 2.409 285 N HA -0.008 4.734 4.740 0.003 0.000 0.179 285 N C 1.343 176.748 175.510 -0.175 0.000 1.032 285 N CA 0.582 53.549 53.050 -0.137 0.000 0.898 285 N CB -0.146 38.209 38.487 -0.221 0.000 0.971 285 N HN 0.176 nan 8.380 nan 0.000 0.441 286 V N -0.226 119.581 119.914 -0.179 0.000 2.323 286 V HA -0.221 3.900 4.120 0.003 0.000 0.244 286 V C 2.358 178.478 176.094 0.044 0.000 1.041 286 V CA 1.403 63.655 62.300 -0.081 0.000 1.025 286 V CB -0.662 31.177 31.823 0.027 0.000 0.656 286 V HN 0.462 nan 8.190 nan 0.000 0.451 287 C N -0.079 119.283 119.300 0.104 0.000 2.425 287 C HA -0.153 4.309 4.460 0.003 0.000 0.277 287 C C 2.530 177.534 174.990 0.023 0.000 1.280 287 C CA 0.736 59.811 59.018 0.095 0.000 1.744 287 C CB -1.021 26.789 27.740 0.116 0.000 1.989 287 C HN 0.560 nan 8.230 nan 0.000 0.491 288 D N 0.241 120.637 120.400 -0.007 0.000 2.263 288 D HA -0.083 4.559 4.640 0.003 0.000 0.208 288 D C 2.260 178.504 176.300 -0.093 0.000 0.971 288 D CA 1.010 54.985 54.000 -0.042 0.000 0.867 288 D CB -0.194 40.577 40.800 -0.047 0.000 0.929 288 D HN 0.545 nan 8.370 nan 0.000 0.492 289 E N -0.158 119.963 120.200 -0.131 0.000 2.251 289 E HA 0.023 4.374 4.350 0.003 0.000 0.194 289 E C 1.546 177.976 176.600 -0.285 0.000 0.964 289 E CA 0.202 56.456 56.400 -0.244 0.000 0.868 289 E CB 0.208 29.710 29.700 -0.330 0.000 0.828 289 E HN 0.431 nan 8.360 nan 0.000 0.481 290 E N 0.091 120.189 120.200 -0.170 0.000 2.442 290 E HA 0.076 4.428 4.350 0.003 0.000 0.195 290 E C 1.833 178.410 176.600 -0.038 0.000 1.030 290 E CA 0.154 56.480 56.400 -0.124 0.000 0.869 290 E CB 0.172 29.888 29.700 0.026 0.000 0.857 290 E HN 0.150 nan 8.360 nan 0.000 0.505 291 M N 0.600 120.183 119.600 -0.028 0.000 2.248 291 M HA -0.088 4.393 4.480 0.003 0.000 0.265 291 M C 1.109 177.388 176.300 -0.036 0.000 1.079 291 M CA 1.050 56.348 55.300 -0.004 0.000 1.150 291 M CB 0.237 32.839 32.600 0.003 0.000 1.366 291 M HN -0.088 nan 8.290 nan 0.000 0.433 292 D N 0.423 120.774 120.400 -0.081 0.000 2.312 292 D HA -0.024 4.617 4.640 0.003 0.000 0.211 292 D C 1.690 177.925 176.300 -0.108 0.000 0.964 292 D CA 0.984 54.925 54.000 -0.099 0.000 0.877 292 D CB -0.047 40.673 40.800 -0.133 0.000 0.924 292 D HN 0.341 nan 8.370 nan 0.000 0.515 293 L N -0.132 121.016 121.223 -0.125 0.000 2.567 293 L HA 0.227 4.569 4.340 0.003 0.000 0.225 293 L C 2.011 178.855 176.870 -0.045 0.000 1.119 293 L CA 0.050 54.819 54.840 -0.118 0.000 0.871 293 L CB 0.094 42.031 42.059 -0.203 0.000 1.036 293 L HN -0.050 nan 8.230 nan 0.000 0.459 294 A N 0.076 122.892 122.820 -0.006 0.000 1.984 294 A HA 0.035 4.357 4.320 0.003 0.000 0.214 294 A C 1.814 179.414 177.584 0.026 0.000 1.173 294 A CA 0.469 52.537 52.037 0.051 0.000 0.673 294 A CB -0.004 19.045 19.000 0.082 0.000 0.830 294 A HN 0.224 nan 8.150 nan 0.000 0.453 295 I N 0.320 120.889 120.570 -0.001 0.000 3.444 295 I HA -0.021 4.150 4.170 0.003 0.000 0.287 295 I C 1.837 177.948 176.117 -0.011 0.000 1.302 295 I CA 1.076 62.372 61.300 -0.007 0.000 1.368 295 I CB -0.950 37.037 38.000 -0.021 0.000 1.048 295 I HN 0.365 nan 8.210 nan 0.000 0.487 296 E N 1.972 122.165 120.200 -0.012 0.000 2.102 296 E HA 0.064 4.415 4.350 0.003 0.000 0.190 296 E C 2.225 178.832 176.600 0.011 0.000 0.971 296 E CA 1.102 57.496 56.400 -0.010 0.000 0.821 296 E CB 0.052 29.741 29.700 -0.019 0.000 0.777 296 E HN 0.310 nan 8.360 nan 0.000 0.460 297 A N -0.159 122.676 122.820 0.024 0.000 2.168 297 A HA -0.037 4.284 4.320 0.003 0.000 0.215 297 A C 2.151 179.751 177.584 0.027 0.000 1.152 297 A CA 1.312 53.370 52.037 0.034 0.000 0.716 297 A CB -0.349 18.684 19.000 0.056 0.000 0.794 297 A HN 0.225 nan 8.150 nan 0.000 0.465 298 S N 0.139 115.851 115.700 0.020 0.000 2.345 298 S HA -0.114 4.357 4.470 0.003 0.000 0.219 298 S C 1.570 176.178 174.600 0.013 0.000 1.031 298 S CA 1.278 59.488 58.200 0.016 0.000 0.984 298 S CB -0.284 62.923 63.200 0.013 0.000 0.874 298 S HN 0.745 nan 8.310 nan 0.000 0.451 299 E N 1.084 121.290 120.200 0.010 0.000 2.516 299 E HA 0.096 4.448 4.350 0.003 0.000 0.199 299 E C 1.572 178.179 176.600 0.012 0.000 1.069 299 E CA 0.501 56.907 56.400 0.010 0.000 0.876 299 E CB -0.051 29.653 29.700 0.006 0.000 0.843 299 E HN 0.477 nan 8.360 nan 0.000 0.530 300 A N 1.323 124.151 122.820 0.015 0.000 2.051 300 A HA 0.375 4.697 4.320 0.003 0.000 0.218 300 A C 2.312 179.906 177.584 0.017 0.000 1.575 300 A CA 0.619 52.667 52.037 0.017 0.000 0.700 300 A CB -0.856 18.157 19.000 0.022 0.000 1.245 300 A HN 0.210 nan 8.150 nan 0.000 0.536 301 A N 0.314 123.146 122.820 0.020 0.000 1.896 301 A HA -0.289 4.033 4.320 0.003 0.000 0.220 301 A C 1.877 179.469 177.584 0.014 0.000 1.206 301 A CA 2.211 54.259 52.037 0.019 0.000 0.647 301 A CB -0.966 18.047 19.000 0.022 0.000 0.828 301 A HN 0.657 nan 8.150 nan 0.000 0.455 302 E N -0.706 119.502 120.200 0.014 0.000 2.051 302 E HA -0.217 4.135 4.350 0.003 0.000 0.192 302 E C 2.094 178.700 176.600 0.010 0.000 0.991 302 E CA 1.305 57.712 56.400 0.011 0.000 0.799 302 E CB -0.227 29.480 29.700 0.011 0.000 0.748 302 E HN 0.731 nan 8.360 nan 0.000 0.449 303 Q N -0.680 119.126 119.800 0.010 0.000 2.515 303 Q HA -0.023 4.319 4.340 0.003 0.000 0.212 303 Q C 1.163 177.167 176.000 0.007 0.000 0.970 303 Q CA 0.482 56.290 55.803 0.008 0.000 0.941 303 Q CB 0.487 29.230 28.738 0.008 0.000 0.998 303 Q HN 0.490 nan 8.270 nan 0.000 0.518 304 G N 2.135 110.941 108.800 0.009 0.000 2.320 304 G HA2 -0.356 3.605 3.960 0.003 0.000 0.242 304 G HA3 -0.356 3.605 3.960 0.003 0.000 0.242 304 G C 0.287 175.192 174.900 0.009 0.000 1.033 304 G CA 0.233 45.338 45.100 0.008 0.000 0.620 304 G HN 0.463 nan 8.290 nan 0.000 0.517 305 R N 1.249 121.755 120.500 0.010 0.000 2.347 305 R HA 0.506 4.848 4.340 0.003 0.000 0.304 305 R C -2.795 173.514 176.300 0.015 0.000 1.072 305 R CA -1.442 54.664 56.100 0.011 0.000 0.980 305 R CB 0.536 30.843 30.300 0.011 0.000 0.986 305 R HN 0.132 nan 8.270 nan 0.000 0.448 306 P HA 0.086 nan 4.420 nan 0.000 0.268 306 P C -2.347 174.965 177.300 0.020 0.000 1.204 306 P CA -1.027 62.084 63.100 0.018 0.000 0.768 306 P CB 0.048 31.756 31.700 0.014 0.000 0.842 307 P HA -0.026 nan 4.420 nan 0.000 0.260 307 P C 0.716 178.035 177.300 0.031 0.000 1.185 307 P CA 0.581 63.701 63.100 0.033 0.000 0.763 307 P CB 0.276 31.998 31.700 0.037 0.000 0.776 308 E N 0.995 121.223 120.200 0.045 0.000 2.204 308 E HA -0.176 4.176 4.350 0.003 0.000 0.195 308 E C 0.031 176.648 176.600 0.028 0.000 0.990 308 E CA 1.051 57.476 56.400 0.042 0.000 0.821 308 E CB -0.074 29.669 29.700 0.071 0.000 0.750 308 E HN 0.591 nan 8.360 nan 0.000 0.477 309 H N -0.633 118.427 119.070 -0.016 0.000 2.511 309 H HA 0.223 4.780 4.556 0.003 0.000 0.328 309 H C -1.082 174.231 175.328 -0.024 0.000 1.044 309 H CA -0.167 55.870 56.048 -0.018 0.000 1.212 309 H CB 1.437 31.182 29.762 -0.029 0.000 1.428 309 H HN -0.199 nan 8.280 nan 0.000 0.483 310 T N 2.805 117.361 114.554 0.003 0.000 2.756 310 T HA 0.168 4.520 4.350 0.003 0.000 0.290 310 T C 0.108 174.793 174.700 -0.025 0.000 0.985 310 T CA -0.609 61.481 62.100 -0.016 0.000 0.955 310 T CB 0.908 69.757 68.868 -0.031 0.000 0.930 310 T HN 0.552 nan 8.240 nan 0.000 0.451 311 S N 2.318 117.916 115.700 -0.169 0.000 2.562 311 S HA 0.140 4.612 4.470 0.003 0.000 0.281 311 S C 1.006 175.244 174.600 -0.602 0.000 1.333 311 S CA -0.343 57.645 58.200 -0.353 0.000 1.052 311 S CB 0.280 63.064 63.200 -0.693 0.000 0.884 311 S HN 0.654 nan 8.310 nan 0.000 0.506 312 K N 3.354 123.516 120.400 -0.397 0.000 2.358 312 K HA 0.154 4.475 4.320 0.003 0.000 0.200 312 K C -0.621 175.719 176.600 -0.434 0.000 1.030 312 K CA -0.088 55.923 56.287 -0.460 0.000 1.097 312 K CB -0.106 32.055 32.500 -0.566 0.000 0.862 312 K HN 0.756 nan 8.250 nan 0.000 0.534 313 F N 0.588 120.475 119.950 -0.106 0.000 2.667 313 F HA -0.262 4.266 4.527 0.003 0.000 0.250 313 F C 0.218 176.010 175.800 -0.013 0.000 1.029 313 F CA -0.062 57.935 58.000 -0.005 0.000 0.944 313 F CB -2.579 36.418 39.000 -0.005 0.000 0.994 313 F HN 0.166 nan 8.300 nan 0.000 0.842 314 Y N -0.336 120.192 120.300 0.378 0.000 2.395 314 Y HA 0.040 4.592 4.550 0.003 0.000 0.293 314 Y C 2.175 178.385 175.900 0.518 0.000 1.123 314 Y CA 0.827 59.196 58.100 0.448 0.000 1.227 314 Y CB -0.391 38.367 38.460 0.497 0.000 1.012 314 Y HN 0.519 nan 8.280 nan 0.000 0.552 315 A N 0.575 123.756 122.820 0.602 0.000 1.877 315 A HA -0.221 4.100 4.320 0.003 0.000 0.216 315 A C 2.188 179.893 177.584 0.202 0.000 1.186 315 A CA 1.861 54.145 52.037 0.412 0.000 0.620 315 A CB -0.540 18.671 19.000 0.352 0.000 0.822 315 A HN 0.384 nan 8.150 nan 0.000 0.443 316 K N -0.717 119.806 120.400 0.206 0.000 2.288 316 K HA -0.048 4.274 4.320 0.003 0.000 0.201 316 K C 1.799 178.445 176.600 0.076 0.000 1.048 316 K CA 0.990 57.335 56.287 0.097 0.000 0.956 316 K CB -0.320 32.224 32.500 0.073 0.000 0.746 316 K HN 0.422 nan 8.250 nan 0.000 0.461 317 G N -0.350 108.538 108.800 0.147 0.000 2.494 317 G HA2 -0.066 3.896 3.960 0.003 0.000 0.216 317 G HA3 -0.066 3.896 3.960 0.003 0.000 0.216 317 G C 1.191 176.182 174.900 0.152 0.000 1.140 317 G CA 0.559 45.741 45.100 0.137 0.000 0.801 317 G HN 0.333 nan 8.290 nan 0.000 0.536 318 A N -0.153 122.744 122.820 0.128 0.000 2.390 318 A HA 0.462 4.783 4.320 0.003 0.000 0.232 318 A C 1.917 179.469 177.584 -0.054 0.000 1.233 318 A CA -0.051 52.060 52.037 0.122 0.000 0.907 318 A CB -0.059 18.825 19.000 -0.195 0.000 0.967 318 A HN 0.285 nan 8.150 nan 0.000 0.512 319 L N -0.202 120.946 121.223 -0.124 0.000 2.189 319 L HA -0.296 4.046 4.340 0.003 0.000 0.214 319 L C 2.408 179.057 176.870 -0.368 0.000 1.097 319 L CA 1.933 56.630 54.840 -0.238 0.000 0.764 319 L CB -0.171 41.746 42.059 -0.237 0.000 0.900 319 L HN 0.541 nan 8.230 nan 0.000 0.436 320 Q N -1.387 118.202 119.800 -0.352 0.000 2.079 320 Q HA -0.196 4.146 4.340 0.003 0.000 0.200 320 Q C 1.768 177.574 176.000 -0.323 0.000 0.974 320 Q CA 1.934 57.491 55.803 -0.410 0.000 0.840 320 Q CB -0.240 28.258 28.738 -0.401 0.000 0.898 320 Q HN 0.595 nan 8.270 nan 0.000 0.430 321 Y N -0.065 120.209 120.300 -0.044 0.000 2.490 321 Y HA 0.036 4.588 4.550 0.003 0.000 0.285 321 Y C 1.829 177.660 175.900 -0.115 0.000 1.117 321 Y CA 0.257 58.355 58.100 -0.004 0.000 1.262 321 Y CB 0.147 38.710 38.460 0.172 0.000 1.043 321 Y HN 0.003 nan 8.280 nan 0.000 0.553 322 L N -1.224 119.956 121.223 -0.073 0.000 2.007 322 L HA -0.163 4.179 4.340 0.003 0.000 0.205 322 L C 2.299 179.092 176.870 -0.129 0.000 1.073 322 L CA 0.714 55.444 54.840 -0.183 0.000 0.744 322 L CB -0.872 41.004 42.059 -0.305 0.000 0.898 322 L HN 0.003 nan 8.230 nan 0.000 0.435 323 V N 0.418 120.252 119.914 -0.132 0.000 2.250 323 V HA -0.250 3.872 4.120 0.003 0.000 0.253 323 V C -0.182 175.844 176.094 -0.113 0.000 1.065 323 V CA 2.450 64.684 62.300 -0.109 0.000 1.039 323 V CB -1.779 29.999 31.823 -0.075 0.000 0.647 323 V HN 0.332 nan 8.190 nan 0.000 0.446 324 P HA -0.141 nan 4.420 nan 0.000 0.216 324 P C 1.750 179.001 177.300 -0.082 0.000 1.150 324 P CA 1.621 64.687 63.100 -0.057 0.000 0.837 324 P CB -0.085 31.614 31.700 -0.002 0.000 0.786 325 I N -1.909 118.616 120.570 -0.075 0.000 2.353 325 I HA -0.178 3.994 4.170 0.003 0.000 0.248 325 I C 2.271 178.321 176.117 -0.112 0.000 1.119 325 I CA 1.074 62.327 61.300 -0.078 0.000 1.417 325 I CB -0.622 37.337 38.000 -0.069 0.000 1.078 325 I HN -0.098 nan 8.210 nan 0.000 0.421 326 L N 0.506 121.652 121.223 -0.129 0.000 1.988 326 L HA -0.193 4.148 4.340 0.003 0.000 0.207 326 L C 2.956 179.697 176.870 -0.215 0.000 1.071 326 L CA 2.155 56.909 54.840 -0.142 0.000 0.744 326 L CB -1.258 40.731 42.059 -0.117 0.000 0.893 326 L HN 0.389 nan 8.230 nan 0.000 0.433 327 T N -2.596 111.761 114.554 -0.329 0.000 2.759 327 T HA -0.310 4.042 4.350 0.003 0.000 0.269 327 T C 1.764 176.192 174.700 -0.453 0.000 1.042 327 T CA 1.537 63.269 62.100 -0.614 0.000 1.140 327 T CB -0.427 67.680 68.868 -1.269 0.000 0.864 327 T HN 0.217 nan 8.240 nan 0.000 0.455 328 Q N 1.680 121.318 119.800 -0.270 0.000 2.096 328 Q HA -0.100 4.242 4.340 0.003 0.000 0.204 328 Q C 2.186 178.086 176.000 -0.165 0.000 0.982 328 Q CA 2.449 58.172 55.803 -0.133 0.000 0.850 328 Q CB -1.243 27.455 28.738 -0.066 0.000 0.901 328 Q HN 0.594 nan 8.270 nan 0.000 0.422 329 T N 0.719 115.172 114.554 -0.169 0.000 2.951 329 T HA 0.038 4.389 4.350 0.003 0.000 0.268 329 T C 1.309 175.896 174.700 -0.189 0.000 1.073 329 T CA 0.769 62.770 62.100 -0.165 0.000 1.134 329 T CB -0.105 68.676 68.868 -0.144 0.000 0.884 329 T HN 0.249 nan 8.240 nan 0.000 0.479 330 L N 1.499 122.605 121.223 -0.196 0.000 2.700 330 L HA 0.010 4.351 4.340 0.003 0.000 0.240 330 L C 1.554 178.299 176.870 -0.208 0.000 1.162 330 L CA 0.721 55.459 54.840 -0.171 0.000 0.874 330 L CB -0.534 41.447 42.059 -0.129 0.000 1.001 330 L HN 0.263 nan 8.230 nan 0.000 0.447 331 T N -2.189 112.185 114.554 -0.299 0.000 3.092 331 T HA 0.095 4.447 4.350 0.003 0.000 0.258 331 T C 0.923 175.369 174.700 -0.424 0.000 1.031 331 T CA -0.017 61.784 62.100 -0.498 0.000 0.925 331 T CB 0.150 68.523 68.868 -0.825 0.000 1.036 331 T HN 0.218 nan 8.240 nan 0.000 0.544 332 K N 1.671 121.903 120.400 -0.280 0.000 2.981 332 K HA 0.285 4.607 4.320 0.003 0.000 0.213 332 K C -0.374 176.131 176.600 -0.157 0.000 1.154 332 K CA -0.276 55.883 56.287 -0.214 0.000 1.111 332 K CB 0.474 32.874 32.500 -0.166 0.000 0.975 332 K HN 0.194 nan 8.250 nan 0.000 0.462 333 Q N 1.995 121.705 119.800 -0.151 0.000 2.255 333 Q HA -0.054 4.288 4.340 0.003 0.000 0.280 333 Q C -0.198 175.825 176.000 0.038 0.000 1.068 333 Q CA 0.155 55.935 55.803 -0.037 0.000 0.911 333 Q CB 0.383 29.164 28.738 0.071 0.000 1.157 333 Q HN 0.142 nan 8.270 nan 0.000 0.380 334 D N 3.129 123.534 120.400 0.009 0.000 2.536 334 D HA -0.178 4.464 4.640 0.003 0.000 0.260 334 D C -0.478 175.879 176.300 0.096 0.000 1.270 334 D CA 0.310 54.328 54.000 0.030 0.000 0.934 334 D CB 0.376 41.168 40.800 -0.013 0.000 1.129 334 D HN 0.517 nan 8.370 nan 0.000 0.533 335 E N 4.006 124.304 120.200 0.163 0.000 1.795 335 E HA 0.019 4.370 4.350 0.003 0.000 0.261 335 E C -0.189 176.424 176.600 0.022 0.000 1.238 335 E CA -0.302 56.201 56.400 0.171 0.000 1.001 335 E CB -0.171 29.706 29.700 0.295 0.000 1.065 335 E HN 0.559 nan 8.360 nan 0.000 0.418 336 N N 2.808 121.496 118.700 -0.020 0.000 3.277 336 N HA 0.121 4.862 4.740 0.003 0.000 0.278 336 N C -1.704 173.763 175.510 -0.071 0.000 1.544 336 N CA -0.641 52.382 53.050 -0.044 0.000 0.869 336 N CB 1.489 39.957 38.487 -0.031 0.000 1.584 336 N HN 0.132 nan 8.380 nan 0.000 0.564 337 D N -0.120 120.235 120.400 -0.075 0.000 2.552 337 D HA 0.418 5.060 4.640 0.003 0.000 0.285 337 D C -1.584 174.651 176.300 -0.108 0.000 1.206 337 D CA 0.035 53.978 54.000 -0.095 0.000 0.826 337 D CB -0.112 40.634 40.800 -0.090 0.000 1.179 337 D HN 0.551 nan 8.370 nan 0.000 0.508 338 D N -0.244 120.087 120.400 -0.114 0.000 2.559 338 D HA 0.416 5.058 4.640 0.003 0.000 0.250 338 D C 0.156 176.367 176.300 -0.148 0.000 1.135 338 D CA -0.522 53.408 54.000 -0.116 0.000 0.955 338 D CB 1.711 42.467 40.800 -0.074 0.000 1.442 338 D HN 0.071 nan 8.370 nan 0.000 0.471 339 D N -1.276 119.042 120.400 -0.135 0.000 2.212 339 D HA 0.053 4.694 4.640 0.003 0.000 0.311 339 D C 0.548 176.817 176.300 -0.052 0.000 1.091 339 D CA 0.008 53.921 54.000 -0.144 0.000 0.910 339 D CB -0.188 40.473 40.800 -0.233 0.000 1.707 339 D HN 0.170 nan 8.370 nan 0.000 0.522 340 D N 0.596 120.977 120.400 -0.031 0.000 2.363 340 D HA 0.006 4.648 4.640 0.003 0.000 0.226 340 D C -0.371 175.967 176.300 0.064 0.000 1.020 340 D CA 0.336 54.348 54.000 0.020 0.000 0.892 340 D CB -0.146 40.656 40.800 0.003 0.000 0.900 340 D HN 0.141 nan 8.370 nan 0.000 0.531 341 D N 0.556 120.980 120.400 0.041 0.000 2.435 341 D HA -0.077 4.564 4.640 0.003 0.000 0.230 341 D C -0.510 175.850 176.300 0.100 0.000 1.215 341 D CA -0.390 53.642 54.000 0.052 0.000 0.947 341 D CB -0.100 40.697 40.800 -0.004 0.000 1.048 341 D HN 0.145 nan 8.370 nan 0.000 0.512 342 W N 6.552 127.828 121.300 -0.040 0.000 2.507 342 W HA 0.142 4.803 4.660 0.002 0.000 0.334 342 W C -0.578 175.921 176.519 -0.033 0.000 1.165 342 W CA -0.510 56.813 57.345 -0.036 0.000 1.460 342 W CB -0.113 29.329 29.460 -0.029 0.000 1.404 342 W HN 0.443 nan 8.180 nan 0.000 0.435 343 N N 4.323 122.756 118.700 -0.445 0.000 2.577 343 N HA 0.442 5.184 4.740 0.003 0.000 0.285 343 N C -2.382 172.808 175.510 -0.533 0.000 1.309 343 N CA -1.816 51.009 53.050 -0.375 0.000 0.798 343 N CB 1.895 40.260 38.487 -0.202 0.000 1.463 343 N HN -0.115 nan 8.380 nan 0.000 0.518 344 P HA -0.195 nan 4.420 nan 0.000 0.217 344 P C 1.392 178.506 177.300 -0.310 0.000 1.151 344 P CA 0.852 63.779 63.100 -0.288 0.000 0.849 344 P CB -0.082 31.513 31.700 -0.175 0.000 0.787 345 C N 0.073 119.203 119.300 -0.284 0.000 2.491 345 C HA -0.135 4.326 4.460 0.003 0.000 0.283 345 C C 2.399 177.211 174.990 -0.297 0.000 1.238 345 C CA 1.523 60.393 59.018 -0.247 0.000 1.735 345 C CB -1.548 26.075 27.740 -0.194 0.000 2.080 345 C HN 0.061 nan 8.230 nan 0.000 0.463 346 K N 1.228 121.408 120.400 -0.367 0.000 2.280 346 K HA 0.057 4.379 4.320 0.003 0.000 0.202 346 K C 2.050 178.322 176.600 -0.547 0.000 1.047 346 K CA 1.455 57.512 56.287 -0.382 0.000 0.942 346 K CB -0.467 31.839 32.500 -0.324 0.000 0.739 346 K HN 0.630 nan 8.250 nan 0.000 0.457 347 A N 0.684 123.002 122.820 -0.837 0.000 1.968 347 A HA 0.042 4.364 4.320 0.003 0.000 0.217 347 A C 2.295 179.739 177.584 -0.234 0.000 1.169 347 A CA 1.492 53.070 52.037 -0.765 0.000 0.638 347 A CB -0.621 17.908 19.000 -0.786 0.000 0.812 347 A HN 0.274 nan 8.150 nan 0.000 0.446 348 A N -0.211 122.479 122.820 -0.218 0.000 1.855 348 A HA 0.156 4.478 4.320 0.003 0.000 0.215 348 A C 2.427 179.971 177.584 -0.068 0.000 1.191 348 A CA 1.835 53.803 52.037 -0.116 0.000 0.613 348 A CB -1.454 17.462 19.000 -0.139 0.000 0.829 348 A HN 0.696 nan 8.150 nan 0.000 0.442 349 G N -0.490 108.258 108.800 -0.086 0.000 2.440 349 G HA2 -0.159 3.803 3.960 0.003 0.000 0.218 349 G HA3 -0.159 3.803 3.960 0.003 0.000 0.218 349 G C 1.495 176.419 174.900 0.039 0.000 1.154 349 G CA 1.357 46.439 45.100 -0.031 0.000 0.767 349 G HN 0.337 nan 8.290 nan 0.000 0.552 350 V N 0.047 119.995 119.914 0.056 0.000 2.407 350 V HA -0.196 3.925 4.120 0.003 0.000 0.248 350 V C 2.913 179.091 176.094 0.139 0.000 1.055 350 V CA 1.622 64.013 62.300 0.151 0.000 1.049 350 V CB -0.528 31.473 31.823 0.296 0.000 0.662 350 V HN 0.595 nan 8.190 nan 0.000 0.455 351 C N -0.481 118.885 119.300 0.109 0.000 2.440 351 C HA -0.069 4.393 4.460 0.003 0.000 0.278 351 C C 2.598 177.637 174.990 0.082 0.000 1.295 351 C CA 0.769 59.852 59.018 0.108 0.000 1.738 351 C CB -1.060 26.739 27.740 0.097 0.000 1.987 351 C HN 0.558 nan 8.230 nan 0.000 0.492 352 L N 0.101 121.357 121.223 0.055 0.000 1.989 352 L HA -0.213 4.129 4.340 0.003 0.000 0.211 352 L C 2.803 179.715 176.870 0.069 0.000 1.071 352 L CA 2.018 56.886 54.840 0.046 0.000 0.749 352 L CB -0.586 41.494 42.059 0.035 0.000 0.890 352 L HN 0.383 nan 8.230 nan 0.000 0.431 353 M N -0.654 119.003 119.600 0.095 0.000 2.089 353 M HA -0.307 4.175 4.480 0.003 0.000 0.257 353 M C 2.298 178.649 176.300 0.085 0.000 1.071 353 M CA 1.940 57.303 55.300 0.104 0.000 1.096 353 M CB -0.496 32.187 32.600 0.139 0.000 1.330 353 M HN 0.248 nan 8.290 nan 0.000 0.403 354 L N -0.281 120.997 121.223 0.091 0.000 1.976 354 L HA -0.247 4.094 4.340 0.003 0.000 0.209 354 L C 2.428 179.346 176.870 0.080 0.000 1.071 354 L CA 1.297 56.188 54.840 0.085 0.000 0.746 354 L CB -0.746 41.371 42.059 0.096 0.000 0.890 354 L HN 0.334 nan 8.230 nan 0.000 0.432 355 L N -0.403 120.870 121.223 0.083 0.000 2.043 355 L HA -0.288 4.053 4.340 0.003 0.000 0.212 355 L C 2.855 179.758 176.870 0.055 0.000 1.075 355 L CA 1.335 56.218 54.840 0.072 0.000 0.752 355 L CB -0.617 41.471 42.059 0.048 0.000 0.891 355 L HN 0.321 nan 8.230 nan 0.000 0.432 356 A N -0.526 122.323 122.820 0.048 0.000 1.851 356 A HA -0.244 4.078 4.320 0.003 0.000 0.216 356 A C 2.305 179.912 177.584 0.038 0.000 1.195 356 A CA 2.544 54.603 52.037 0.037 0.000 0.622 356 A CB -1.099 17.920 19.000 0.033 0.000 0.831 356 A HN 0.410 nan 8.150 nan 0.000 0.444 357 T N -1.056 113.525 114.554 0.045 0.000 2.759 357 T HA -0.211 4.141 4.350 0.003 0.000 0.269 357 T C 1.955 176.683 174.700 0.047 0.000 1.042 357 T CA 1.453 63.578 62.100 0.041 0.000 1.140 357 T CB -0.842 68.052 68.868 0.043 0.000 0.864 357 T HN 0.634 nan 8.240 nan 0.000 0.455 358 C N 0.610 119.948 119.300 0.062 0.000 2.473 358 C HA 0.156 4.618 4.460 0.003 0.000 0.279 358 C C 1.789 176.828 174.990 0.082 0.000 1.250 358 C CA -0.013 59.054 59.018 0.081 0.000 1.713 358 C CB -0.718 27.086 27.740 0.105 0.000 2.066 358 C HN 0.654 nan 8.230 nan 0.000 0.474 359 C N 2.481 121.824 119.300 0.072 0.000 2.258 359 C HA 0.479 4.940 4.460 0.003 0.000 0.321 359 C C 1.112 176.122 174.990 0.035 0.000 1.168 359 C CA -0.545 58.503 59.018 0.051 0.000 1.531 359 C CB -1.162 26.609 27.740 0.052 0.000 2.095 359 C HN 0.700 nan 8.230 nan 0.000 0.449 360 E N 1.660 121.875 120.200 0.025 0.000 2.065 360 E HA -0.045 4.307 4.350 0.003 0.000 0.191 360 E C 0.789 177.397 176.600 0.014 0.000 0.960 360 E CA 0.777 57.188 56.400 0.017 0.000 0.824 360 E CB 0.157 29.863 29.700 0.011 0.000 0.793 360 E HN 0.643 nan 8.360 nan 0.000 0.459 361 D N 1.308 121.714 120.400 0.010 0.000 2.234 361 D HA -0.072 4.570 4.640 0.003 0.000 0.205 361 D C 0.858 177.172 176.300 0.023 0.000 0.962 361 D CA 0.807 54.813 54.000 0.009 0.000 0.855 361 D CB -0.132 40.668 40.800 -0.001 0.000 0.951 361 D HN 0.078 nan 8.370 nan 0.000 0.500 362 D N -0.081 120.339 120.400 0.033 0.000 2.328 362 D HA 0.074 4.715 4.640 0.003 0.000 0.221 362 D C 1.695 178.076 176.300 0.136 0.000 1.072 362 D CA -0.053 53.987 54.000 0.067 0.000 0.850 362 D CB 0.628 41.456 40.800 0.047 0.000 0.922 362 D HN 0.276 nan 8.370 nan 0.000 0.516 363 I N -0.155 120.475 120.570 0.099 0.000 3.526 363 I HA -0.111 4.061 4.170 0.003 0.000 0.294 363 I C 1.713 177.905 176.117 0.126 0.000 1.229 363 I CA 0.262 61.633 61.300 0.119 0.000 1.408 363 I CB 0.466 38.497 38.000 0.052 0.000 1.127 363 I HN -0.242 nan 8.210 nan 0.000 0.439 364 V N 2.943 122.901 119.914 0.073 0.000 2.282 364 V HA -0.184 3.938 4.120 0.003 0.000 0.249 364 V C -0.426 175.703 176.094 0.059 0.000 1.057 364 V CA 2.188 64.519 62.300 0.052 0.000 1.032 364 V CB -2.249 29.588 31.823 0.023 0.000 0.645 364 V HN 0.354 nan 8.190 nan 0.000 0.447 365 P HA -0.124 nan 4.420 nan 0.000 0.219 365 P C 1.206 178.441 177.300 -0.108 0.000 1.146 365 P CA 1.546 64.609 63.100 -0.062 0.000 0.808 365 P CB -0.089 31.526 31.700 -0.141 0.000 0.779 366 H N -2.248 116.834 119.070 0.020 0.000 2.465 366 H HA 0.051 4.609 4.556 0.003 0.000 0.289 366 H C 1.666 177.024 175.328 0.050 0.000 1.022 366 H CA 0.795 56.853 56.048 0.018 0.000 1.340 366 H CB -0.159 29.597 29.762 -0.010 0.000 1.437 366 H HN -0.092 nan 8.280 nan 0.000 0.539 367 V N 0.342 120.361 119.914 0.176 0.000 2.795 367 V HA -0.093 4.028 4.120 0.003 0.000 0.243 367 V C 2.295 178.527 176.094 0.230 0.000 1.069 367 V CA 0.407 62.812 62.300 0.175 0.000 1.089 367 V CB -0.146 31.754 31.823 0.129 0.000 0.756 367 V HN 0.334 nan 8.190 nan 0.000 0.471 368 L N 1.311 122.643 121.223 0.182 0.000 2.021 368 L HA -0.152 4.190 4.340 0.003 0.000 0.215 368 L C -0.046 176.935 176.870 0.184 0.000 1.074 368 L CA 2.850 57.810 54.840 0.200 0.000 0.760 368 L CB -1.996 40.149 42.059 0.144 0.000 0.889 368 L HN 0.283 nan 8.230 nan 0.000 0.433 369 P HA -0.254 nan 4.420 nan 0.000 0.214 369 P C 1.788 179.176 177.300 0.147 0.000 1.163 369 P CA 1.504 64.669 63.100 0.109 0.000 0.889 369 P CB -0.342 31.410 31.700 0.087 0.000 0.790 370 F N 0.229 120.237 119.950 0.097 0.000 2.154 370 F HA -0.209 4.319 4.527 0.003 0.000 0.301 370 F C 1.910 177.816 175.800 0.177 0.000 1.087 370 F CA 1.453 59.547 58.000 0.157 0.000 1.274 370 F CB -0.683 38.422 39.000 0.175 0.000 1.009 370 F HN -0.207 nan 8.300 nan 0.000 0.485 371 I N 0.139 120.861 120.570 0.252 0.000 2.315 371 I HA -0.252 3.920 4.170 0.003 0.000 0.248 371 I C 2.027 178.140 176.117 -0.007 0.000 1.117 371 I CA 1.027 62.424 61.300 0.162 0.000 1.404 371 I CB -0.536 37.646 38.000 0.302 0.000 1.071 371 I HN -0.012 nan 8.210 nan 0.000 0.419 372 K N 0.679 121.071 120.400 -0.012 0.000 2.439 372 K HA -0.111 4.211 4.320 0.003 0.000 0.197 372 K C 1.732 178.247 176.600 -0.142 0.000 1.041 372 K CA 0.775 57.024 56.287 -0.064 0.000 0.970 372 K CB -0.027 32.453 32.500 -0.033 0.000 0.773 372 K HN 0.487 nan 8.250 nan 0.000 0.479 373 E N 0.073 120.130 120.200 -0.239 0.000 2.099 373 E HA -0.053 4.299 4.350 0.003 0.000 0.191 373 E C 0.662 176.939 176.600 -0.538 0.000 0.962 373 E CA 0.343 56.491 56.400 -0.421 0.000 0.826 373 E CB 0.308 29.666 29.700 -0.569 0.000 0.788 373 E HN 0.311 nan 8.360 nan 0.000 0.461 374 H N 0.001 118.873 119.070 -0.330 0.000 2.524 374 H HA 0.128 4.686 4.556 0.003 0.000 0.299 374 H C 0.614 175.861 175.328 -0.135 0.000 1.074 374 H CA -0.040 55.852 56.048 -0.260 0.000 1.115 374 H CB 0.596 30.158 29.762 -0.333 0.000 1.522 374 H HN 0.183 nan 8.280 nan 0.000 0.543 375 I N 0.688 121.225 120.570 -0.055 0.000 3.810 375 I HA 0.006 4.178 4.170 0.003 0.000 0.322 375 I C 1.085 177.194 176.117 -0.014 0.000 1.288 375 I CA 0.653 61.940 61.300 -0.021 0.000 1.143 375 I CB 0.230 38.196 38.000 -0.055 0.000 1.012 375 I HN -0.116 nan 8.210 nan 0.000 0.423 376 K N -0.263 120.128 120.400 -0.016 0.000 2.614 376 K HA 0.271 4.593 4.320 0.003 0.000 0.198 376 K C 0.142 176.745 176.600 0.004 0.000 1.338 376 K CA -0.187 56.094 56.287 -0.010 0.000 1.066 376 K CB -0.165 32.312 32.500 -0.038 0.000 1.119 376 K HN 0.165 nan 8.250 nan 0.000 0.609 377 N N 1.166 119.881 118.700 0.025 0.000 2.483 377 N HA 0.034 4.775 4.740 0.003 0.000 0.264 377 N C -1.932 173.622 175.510 0.073 0.000 1.197 377 N CA -1.340 51.736 53.050 0.043 0.000 0.927 377 N CB 1.066 39.620 38.487 0.112 0.000 1.065 377 N HN -0.119 nan 8.380 nan 0.000 0.461 378 P HA -0.115 nan 4.420 nan 0.000 0.222 378 P C -0.752 176.617 177.300 0.114 0.000 1.142 378 P CA 1.080 64.226 63.100 0.075 0.000 0.788 378 P CB 0.160 31.889 31.700 0.049 0.000 0.767 379 D N -0.417 120.048 120.400 0.108 0.000 2.339 379 D HA -0.009 4.633 4.640 0.003 0.000 0.241 379 D C 1.221 177.562 176.300 0.070 0.000 1.183 379 D CA -0.438 53.608 54.000 0.078 0.000 0.859 379 D CB 0.130 41.013 40.800 0.138 0.000 1.067 379 D HN 0.242 nan 8.370 nan 0.000 0.484 380 W N 4.478 125.826 121.300 0.079 0.000 2.387 380 W HA -0.145 4.517 4.660 0.002 0.000 0.272 380 W C 0.885 177.426 176.519 0.038 0.000 1.224 380 W CA 0.093 57.472 57.345 0.057 0.000 1.210 380 W CB -0.547 28.934 29.460 0.036 0.000 1.125 380 W HN 0.283 nan 8.180 nan 0.000 0.572 381 R N -0.408 119.558 120.500 -0.889 0.000 2.115 381 R HA -0.117 4.225 4.340 0.003 0.000 0.230 381 R C 1.947 177.949 176.300 -0.497 0.000 1.111 381 R CA 1.703 57.234 56.100 -0.948 0.000 0.976 381 R CB -0.728 28.895 30.300 -1.129 0.000 0.870 381 R HN 0.249 nan 8.270 nan 0.000 0.445 382 Y N -0.123 120.035 120.300 -0.235 0.000 2.389 382 Y HA 0.102 4.654 4.550 0.003 0.000 0.292 382 Y C 2.544 178.426 175.900 -0.029 0.000 1.117 382 Y CA 0.365 58.369 58.100 -0.161 0.000 1.195 382 Y CB 0.067 38.386 38.460 -0.236 0.000 1.076 382 Y HN -0.138 nan 8.280 nan 0.000 0.548 383 R N 0.520 121.123 120.500 0.172 0.000 2.120 383 R HA -0.195 4.147 4.340 0.003 0.000 0.234 383 R C 1.556 177.952 176.300 0.160 0.000 1.123 383 R CA 1.960 58.155 56.100 0.158 0.000 0.975 383 R CB -0.218 30.181 30.300 0.167 0.000 0.866 383 R HN 0.306 nan 8.270 nan 0.000 0.446 384 D N -0.277 120.227 120.400 0.172 0.000 2.149 384 D HA -0.002 4.640 4.640 0.003 0.000 0.206 384 D C 1.702 178.099 176.300 0.161 0.000 0.967 384 D CA 1.343 55.455 54.000 0.186 0.000 0.848 384 D CB -0.038 40.912 40.800 0.250 0.000 0.998 384 D HN 0.238 nan 8.370 nan 0.000 0.474 385 A N 0.911 123.805 122.820 0.123 0.000 1.917 385 A HA -0.075 4.247 4.320 0.003 0.000 0.219 385 A C 2.404 180.190 177.584 0.337 0.000 1.182 385 A CA 2.564 54.709 52.037 0.180 0.000 0.633 385 A CB -1.097 17.999 19.000 0.161 0.000 0.819 385 A HN 0.327 nan 8.150 nan 0.000 0.448 386 A N -0.535 122.460 122.820 0.292 0.000 1.908 386 A HA -0.050 4.271 4.320 0.003 0.000 0.218 386 A C 2.207 179.957 177.584 0.275 0.000 1.181 386 A CA 1.997 54.194 52.037 0.266 0.000 0.627 386 A CB -0.992 18.066 19.000 0.095 0.000 0.818 386 A HN 0.535 nan 8.150 nan 0.000 0.445 387 V N -0.825 119.226 119.914 0.228 0.000 2.515 387 V HA -0.254 3.868 4.120 0.003 0.000 0.250 387 V C 2.498 178.800 176.094 0.347 0.000 1.058 387 V CA 2.155 64.604 62.300 0.250 0.000 1.064 387 V CB -0.774 31.176 31.823 0.211 0.000 0.675 387 V HN 0.630 nan 8.190 nan 0.000 0.461 388 M N 1.393 121.172 119.600 0.298 0.000 2.077 388 M HA -0.015 4.467 4.480 0.003 0.000 0.261 388 M C 2.158 178.650 176.300 0.320 0.000 1.070 388 M CA 2.215 57.680 55.300 0.276 0.000 1.125 388 M CB -0.832 31.839 32.600 0.120 0.000 1.339 388 M HN 0.230 nan 8.290 nan 0.000 0.409 389 A N -0.766 122.232 122.820 0.297 0.000 1.940 389 A HA -0.210 4.111 4.320 0.003 0.000 0.219 389 A C 2.176 179.937 177.584 0.294 0.000 1.176 389 A CA 1.913 54.109 52.037 0.264 0.000 0.631 389 A CB -1.419 17.763 19.000 0.302 0.000 0.814 389 A HN 0.641 nan 8.150 nan 0.000 0.446 390 F N 0.759 120.835 119.950 0.210 0.000 2.234 390 F HA 0.055 4.584 4.527 0.003 0.000 0.299 390 F C 2.227 178.119 175.800 0.153 0.000 1.087 390 F CA 1.360 59.457 58.000 0.162 0.000 1.340 390 F CB -0.315 38.767 39.000 0.137 0.000 1.031 390 F HN 0.217 nan 8.300 nan 0.000 0.500 391 G N -1.614 107.404 108.800 0.364 0.000 2.712 391 G HA2 -0.147 3.815 3.960 0.003 0.000 0.212 391 G HA3 -0.147 3.815 3.960 0.003 0.000 0.212 391 G C 1.311 176.352 174.900 0.235 0.000 1.142 391 G CA 0.811 46.058 45.100 0.244 0.000 0.789 391 G HN 0.461 nan 8.290 nan 0.000 0.535 392 C N 0.524 119.993 119.300 0.283 0.000 2.594 392 C HA 0.244 4.706 4.460 0.003 0.000 0.265 392 C C 2.226 177.270 174.990 0.090 0.000 1.351 392 C CA 0.007 59.170 59.018 0.241 0.000 1.744 392 C CB -0.736 27.128 27.740 0.207 0.000 1.890 392 C HN 0.656 nan 8.230 nan 0.000 0.551 393 I N -2.608 117.957 120.570 -0.008 0.000 4.018 393 I HA 0.205 4.377 4.170 0.003 0.000 0.337 393 I C 1.534 177.571 176.117 -0.133 0.000 1.327 393 I CA 0.433 61.692 61.300 -0.067 0.000 1.100 393 I CB -0.395 37.548 38.000 -0.095 0.000 1.025 393 I HN 0.106 nan 8.210 nan 0.000 0.396 394 L N 1.355 122.484 121.223 -0.157 0.000 2.141 394 L HA 0.034 4.376 4.340 0.003 0.000 0.209 394 L C 1.197 178.008 176.870 -0.098 0.000 1.094 394 L CA 1.229 55.966 54.840 -0.171 0.000 0.763 394 L CB -0.239 41.717 42.059 -0.172 0.000 0.908 394 L HN 0.412 nan 8.230 nan 0.000 0.437 395 E N -0.655 119.510 120.200 -0.058 0.000 2.134 395 E HA 0.414 4.766 4.350 0.003 0.000 0.278 395 E C 0.326 176.917 176.600 -0.014 0.000 0.959 395 E CA 0.441 56.823 56.400 -0.029 0.000 0.783 395 E CB 1.059 30.753 29.700 -0.010 0.000 1.095 395 E HN 0.191 nan 8.360 nan 0.000 0.399 396 G N 4.839 113.630 108.800 -0.014 0.000 2.169 396 G HA2 -0.140 3.822 3.960 0.003 0.000 0.173 396 G HA3 -0.140 3.822 3.960 0.003 0.000 0.173 396 G C -2.373 172.521 174.900 -0.009 0.000 2.429 396 G CA -0.508 44.590 45.100 -0.003 0.000 1.467 396 G HN 0.548 nan 8.290 nan 0.000 0.454 397 P HA 0.353 nan 4.420 nan 0.000 0.269 397 P C -0.042 177.246 177.300 -0.020 0.000 1.215 397 P CA 0.070 63.160 63.100 -0.018 0.000 0.780 397 P CB 0.411 32.095 31.700 -0.027 0.000 0.898 398 E N 3.237 123.429 120.200 -0.013 0.000 2.481 398 E HA -0.094 4.258 4.350 0.003 0.000 0.263 398 E C -1.408 175.182 176.600 -0.015 0.000 0.992 398 E CA -0.820 55.573 56.400 -0.012 0.000 0.938 398 E CB -0.099 29.597 29.700 -0.007 0.000 0.933 398 E HN 0.361 nan 8.360 nan 0.000 0.453 399 P HA -0.178 nan 4.420 nan 0.000 0.218 399 P C 1.423 178.719 177.300 -0.007 0.000 1.148 399 P CA 1.065 64.157 63.100 -0.014 0.000 0.822 399 P CB 0.167 31.861 31.700 -0.010 0.000 0.784 400 S N -0.909 114.789 115.700 -0.004 0.000 2.383 400 S HA -0.192 4.280 4.470 0.003 0.000 0.229 400 S C 1.724 176.325 174.600 0.001 0.000 1.030 400 S CA 1.233 59.433 58.200 -0.001 0.000 1.002 400 S CB -0.743 62.457 63.200 -0.001 0.000 0.829 400 S HN 0.105 nan 8.310 nan 0.000 0.467 401 Q N -0.159 119.639 119.800 -0.003 0.000 2.222 401 Q HA 0.235 4.577 4.340 0.003 0.000 0.206 401 Q C 0.792 176.789 176.000 -0.005 0.000 0.877 401 Q CA -0.074 55.728 55.803 -0.001 0.000 0.958 401 Q CB 0.652 29.387 28.738 -0.004 0.000 1.075 401 Q HN 0.427 nan 8.270 nan 0.000 0.483 402 L N -0.908 120.310 121.223 -0.008 0.000 2.638 402 L HA 0.095 4.437 4.340 0.003 0.000 0.195 402 L C 1.779 178.657 176.870 0.014 0.000 1.065 402 L CA 0.844 55.672 54.840 -0.019 0.000 0.859 402 L CB -0.304 41.726 42.059 -0.047 0.000 1.269 402 L HN 0.060 nan 8.230 nan 0.000 0.484 403 K N 0.818 121.225 120.400 0.012 0.000 2.034 403 K HA -0.200 4.121 4.320 0.003 0.000 0.214 403 K C -0.611 176.010 176.600 0.034 0.000 1.051 403 K CA 1.977 58.276 56.287 0.021 0.000 0.931 403 K CB -1.307 31.200 32.500 0.012 0.000 0.715 403 K HN 0.273 nan 8.250 nan 0.000 0.446 404 P HA -0.142 nan 4.420 nan 0.000 0.219 404 P C 1.119 178.452 177.300 0.056 0.000 1.146 404 P CA 1.192 64.312 63.100 0.033 0.000 0.808 404 P CB 0.050 31.766 31.700 0.027 0.000 0.779 405 L N -1.891 119.389 121.223 0.095 0.000 2.168 405 L HA -0.044 4.298 4.340 0.003 0.000 0.203 405 L C 2.283 179.312 176.870 0.264 0.000 1.078 405 L CA 0.812 55.760 54.840 0.180 0.000 0.780 405 L CB -0.935 41.263 42.059 0.232 0.000 0.939 405 L HN -0.190 nan 8.230 nan 0.000 0.451 406 V N 0.356 120.428 119.914 0.263 0.000 2.407 406 V HA -0.263 3.858 4.120 0.003 0.000 0.248 406 V C 2.320 178.462 176.094 0.080 0.000 1.055 406 V CA 1.636 64.097 62.300 0.268 0.000 1.049 406 V CB -0.336 31.591 31.823 0.174 0.000 0.662 406 V HN 0.321 nan 8.190 nan 0.000 0.455 407 I N 0.825 121.413 120.570 0.030 0.000 2.315 407 I HA -0.278 3.893 4.170 0.003 0.000 0.248 407 I C 2.746 178.822 176.117 -0.068 0.000 1.117 407 I CA 1.839 63.113 61.300 -0.043 0.000 1.404 407 I CB -0.368 37.612 38.000 -0.033 0.000 1.071 407 I HN 0.507 nan 8.210 nan 0.000 0.419 408 Q N 1.104 120.885 119.800 -0.032 0.000 2.331 408 Q HA 0.023 4.365 4.340 0.003 0.000 0.203 408 Q C 1.980 177.929 176.000 -0.086 0.000 0.944 408 Q CA 1.121 56.895 55.803 -0.049 0.000 0.892 408 Q CB -0.193 28.532 28.738 -0.021 0.000 0.983 408 Q HN 0.389 nan 8.270 nan 0.000 0.482 409 A N 0.398 123.151 122.820 -0.112 0.000 2.218 409 A HA 0.122 4.444 4.320 0.003 0.000 0.209 409 A C 1.942 179.417 177.584 -0.183 0.000 1.168 409 A CA 0.149 52.048 52.037 -0.231 0.000 0.804 409 A CB -0.182 18.498 19.000 -0.534 0.000 0.834 409 A HN 0.263 nan 8.150 nan 0.000 0.482 410 M N 0.051 119.573 119.600 -0.131 0.000 2.067 410 M HA -0.069 4.413 4.480 0.003 0.000 0.260 410 M C -0.623 175.602 176.300 -0.124 0.000 1.069 410 M CA 1.579 56.800 55.300 -0.132 0.000 1.117 410 M CB -2.082 30.405 32.600 -0.189 0.000 1.334 410 M HN 0.105 nan 8.290 nan 0.000 0.407 411 P HA -0.088 nan 4.420 nan 0.000 0.219 411 P C 1.197 178.461 177.300 -0.059 0.000 1.146 411 P CA 1.409 64.461 63.100 -0.080 0.000 0.808 411 P CB -0.220 31.442 31.700 -0.063 0.000 0.779 412 T N -1.045 113.462 114.554 -0.077 0.000 3.009 412 T HA 0.009 4.361 4.350 0.003 0.000 0.258 412 T C 1.538 176.205 174.700 -0.056 0.000 1.063 412 T CA 0.253 62.313 62.100 -0.067 0.000 1.139 412 T CB -0.635 68.178 68.868 -0.091 0.000 0.890 412 T HN -0.021 nan 8.240 nan 0.000 0.471 413 L N 1.526 122.707 121.223 -0.071 0.000 2.141 413 L HA 0.136 4.478 4.340 0.003 0.000 0.209 413 L C 1.959 178.825 176.870 -0.008 0.000 1.094 413 L CA 1.383 56.200 54.840 -0.039 0.000 0.763 413 L CB -0.643 41.389 42.059 -0.044 0.000 0.908 413 L HN 0.270 nan 8.230 nan 0.000 0.437 414 I N -1.042 119.518 120.570 -0.016 0.000 2.315 414 I HA -0.256 3.916 4.170 0.003 0.000 0.248 414 I C 2.333 178.456 176.117 0.010 0.000 1.117 414 I CA 1.081 62.381 61.300 0.000 0.000 1.404 414 I CB -0.440 37.559 38.000 -0.002 0.000 1.071 414 I HN 0.316 nan 8.210 nan 0.000 0.419 415 E N 1.041 121.243 120.200 0.003 0.000 2.085 415 E HA -0.205 4.147 4.350 0.003 0.000 0.194 415 E C 2.335 178.949 176.600 0.023 0.000 0.994 415 E CA 1.202 57.608 56.400 0.010 0.000 0.801 415 E CB -0.134 29.567 29.700 0.003 0.000 0.743 415 E HN 0.497 nan 8.360 nan 0.000 0.453 416 L N 0.451 121.690 121.223 0.027 0.000 2.265 416 L HA -0.171 4.170 4.340 0.003 0.000 0.215 416 L C 2.514 179.421 176.870 0.062 0.000 1.117 416 L CA 0.467 55.337 54.840 0.049 0.000 0.782 416 L CB -0.329 41.764 42.059 0.057 0.000 0.914 416 L HN 0.228 nan 8.230 nan 0.000 0.441 417 M N -0.149 119.483 119.600 0.054 0.000 2.213 417 M HA -0.156 4.326 4.480 0.003 0.000 0.263 417 M C 1.005 177.338 176.300 0.055 0.000 1.062 417 M CA 1.605 56.943 55.300 0.062 0.000 1.105 417 M CB -0.560 32.070 32.600 0.049 0.000 1.385 417 M HN 0.137 nan 8.290 nan 0.000 0.417 418 K N 0.996 121.420 120.400 0.040 0.000 3.127 418 K HA 0.130 4.452 4.320 0.003 0.000 0.236 418 K C -0.349 176.272 176.600 0.035 0.000 1.271 418 K CA -0.168 56.139 56.287 0.032 0.000 1.224 418 K CB 0.217 32.730 32.500 0.021 0.000 1.482 418 K HN 0.101 nan 8.250 nan 0.000 0.435 419 D N 0.703 121.130 120.400 0.046 0.000 2.175 419 D HA 0.144 4.786 4.640 0.003 0.000 0.248 419 D C -1.827 174.496 176.300 0.038 0.000 1.047 419 D CA -2.272 51.757 54.000 0.049 0.000 0.883 419 D CB 1.977 42.817 40.800 0.067 0.000 1.180 419 D HN -0.089 nan 8.370 nan 0.000 0.438 420 P HA -0.085 nan 4.420 nan 0.000 0.216 420 P C 0.317 177.613 177.300 -0.007 0.000 1.150 420 P CA 0.772 63.882 63.100 0.016 0.000 0.843 420 P CB 0.243 31.957 31.700 0.024 0.000 0.787 421 S N -1.366 114.332 115.700 -0.003 0.000 2.525 421 S HA 0.179 4.651 4.470 0.003 0.000 0.278 421 S C 1.360 175.928 174.600 -0.054 0.000 1.234 421 S CA -0.732 57.423 58.200 -0.075 0.000 1.058 421 S CB 0.548 63.696 63.200 -0.086 0.000 0.983 421 S HN -0.242 nan 8.310 nan 0.000 0.495 422 V N 5.642 125.492 119.914 -0.106 0.000 2.287 422 V HA -0.157 3.964 4.120 0.003 0.000 0.248 422 V C 2.282 178.371 176.094 -0.008 0.000 1.053 422 V CA 2.197 64.468 62.300 -0.049 0.000 1.027 422 V CB -0.953 30.821 31.823 -0.081 0.000 0.646 422 V HN 0.863 nan 8.190 nan 0.000 0.447 423 V N -0.225 119.652 119.914 -0.062 0.000 2.490 423 V HA -0.170 3.952 4.120 0.003 0.000 0.250 423 V C 2.319 178.489 176.094 0.128 0.000 1.061 423 V CA 1.546 63.867 62.300 0.035 0.000 1.064 423 V CB -0.822 31.031 31.823 0.049 0.000 0.670 423 V HN 0.448 nan 8.190 nan 0.000 0.461 424 V N 0.238 120.229 119.914 0.129 0.000 2.970 424 V HA -0.122 4.000 4.120 0.003 0.000 0.260 424 V C 2.466 178.645 176.094 0.142 0.000 1.100 424 V CA 1.701 64.096 62.300 0.158 0.000 1.122 424 V CB -0.873 31.042 31.823 0.154 0.000 0.721 424 V HN 0.507 nan 8.190 nan 0.000 0.483 425 R N -0.286 120.291 120.500 0.128 0.000 2.146 425 R HA 0.046 4.388 4.340 0.003 0.000 0.206 425 R C 2.113 178.521 176.300 0.179 0.000 1.049 425 R CA 0.638 56.821 56.100 0.139 0.000 1.029 425 R CB -0.459 29.914 30.300 0.121 0.000 0.949 425 R HN 0.388 nan 8.270 nan 0.000 0.471 426 D N 0.613 121.132 120.400 0.198 0.000 2.116 426 D HA -0.172 4.469 4.640 0.003 0.000 0.193 426 D C 1.168 177.663 176.300 0.326 0.000 0.998 426 D CA 1.923 56.102 54.000 0.298 0.000 0.836 426 D CB 0.116 41.076 40.800 0.267 0.000 0.951 426 D HN 0.125 nan 8.370 nan 0.000 0.449 427 T N 0.269 114.982 114.554 0.265 0.000 2.851 427 T HA 0.108 4.460 4.350 0.003 0.000 0.262 427 T C 2.058 176.981 174.700 0.371 0.000 1.043 427 T CA 1.369 63.657 62.100 0.313 0.000 1.140 427 T CB -0.452 68.546 68.868 0.216 0.000 0.872 427 T HN 0.282 nan 8.240 nan 0.000 0.446 428 A N 1.890 124.862 122.820 0.254 0.000 1.892 428 A HA -0.007 4.314 4.320 0.003 0.000 0.218 428 A C 2.627 180.319 177.584 0.180 0.000 1.188 428 A CA 2.147 54.305 52.037 0.201 0.000 0.631 428 A CB -1.264 17.821 19.000 0.142 0.000 0.822 428 A HN 0.520 nan 8.150 nan 0.000 0.447 429 A N -1.517 121.404 122.820 0.168 0.000 1.845 429 A HA -0.158 4.164 4.320 0.003 0.000 0.215 429 A C 2.014 179.651 177.584 0.089 0.000 1.195 429 A CA 1.686 53.784 52.037 0.101 0.000 0.616 429 A CB -1.257 17.780 19.000 0.063 0.000 0.832 429 A HN 0.966 nan 8.150 nan 0.000 0.443 430 W N 1.385 122.654 121.300 -0.053 0.000 2.292 430 W HA -0.260 4.402 4.660 0.003 0.000 0.304 430 W C 2.048 178.585 176.519 0.031 0.000 1.228 430 W CA 2.951 60.275 57.345 -0.036 0.000 1.241 430 W CB -0.639 28.874 29.460 0.088 0.000 1.142 430 W HN 0.302 nan 8.180 nan 0.000 0.520 431 T N 0.584 115.207 114.554 0.115 0.000 2.674 431 T HA -0.230 4.122 4.350 0.003 0.000 0.265 431 T C 1.823 176.432 174.700 -0.152 0.000 1.039 431 T CA 2.376 64.415 62.100 -0.101 0.000 1.150 431 T CB -0.959 68.032 68.868 0.206 0.000 0.864 431 T HN 0.038 nan 8.240 nan 0.000 0.427 432 V N 1.542 121.431 119.914 -0.042 0.000 2.380 432 V HA -0.164 3.958 4.120 0.003 0.000 0.251 432 V C 2.802 178.836 176.094 -0.101 0.000 1.063 432 V CA 1.991 64.265 62.300 -0.044 0.000 1.055 432 V CB -1.412 30.408 31.823 -0.005 0.000 0.657 432 V HN 0.624 nan 8.190 nan 0.000 0.455 433 G N -0.428 108.274 108.800 -0.163 0.000 2.404 433 G HA2 -0.271 3.691 3.960 0.003 0.000 0.215 433 G HA3 -0.271 3.691 3.960 0.003 0.000 0.215 433 G C 1.690 176.441 174.900 -0.248 0.000 1.174 433 G CA 0.741 45.728 45.100 -0.188 0.000 0.780 433 G HN 0.455 nan 8.290 nan 0.000 0.537 434 R N -0.022 120.218 120.500 -0.434 0.000 2.189 434 R HA 0.116 4.457 4.340 0.003 0.000 0.223 434 R C 2.329 178.485 176.300 -0.241 0.000 1.092 434 R CA 0.656 56.498 56.100 -0.430 0.000 0.989 434 R CB -0.248 29.587 30.300 -0.775 0.000 0.876 434 R HN 0.440 nan 8.270 nan 0.000 0.457 435 I N -0.587 119.874 120.570 -0.182 0.000 2.193 435 I HA -0.286 3.885 4.170 0.003 0.000 0.240 435 I C 1.980 178.058 176.117 -0.067 0.000 1.084 435 I CA 0.789 62.035 61.300 -0.091 0.000 1.365 435 I CB -0.220 37.755 38.000 -0.041 0.000 1.064 435 I HN 0.260 nan 8.210 nan 0.000 0.410 436 C N 0.544 119.806 119.300 -0.064 0.000 2.430 436 C HA -0.091 4.371 4.460 0.003 0.000 0.288 436 C C 2.521 177.492 174.990 -0.031 0.000 1.448 436 C CA 0.666 59.664 59.018 -0.033 0.000 1.784 436 C CB -1.258 26.470 27.740 -0.020 0.000 1.776 436 C HN 0.485 nan 8.230 nan 0.000 0.547 437 E N 0.236 120.402 120.200 -0.057 0.000 2.110 437 E HA 0.062 4.413 4.350 0.003 0.000 0.193 437 E C 2.057 178.633 176.600 -0.040 0.000 0.950 437 E CA 0.611 56.984 56.400 -0.045 0.000 0.840 437 E CB 0.001 29.664 29.700 -0.061 0.000 0.809 437 E HN 0.581 nan 8.360 nan 0.000 0.465 438 L N 0.498 121.686 121.223 -0.059 0.000 2.102 438 L HA 0.020 4.361 4.340 0.003 0.000 0.202 438 L C 0.916 177.763 176.870 -0.037 0.000 1.076 438 L CA 0.447 55.258 54.840 -0.048 0.000 0.761 438 L CB 0.189 42.208 42.059 -0.067 0.000 0.921 438 L HN 0.076 nan 8.230 nan 0.000 0.444 439 L N 1.603 122.802 121.223 -0.040 0.000 2.417 439 L HA 0.269 4.611 4.340 0.003 0.000 0.258 439 L C -1.969 174.892 176.870 -0.015 0.000 1.088 439 L CA -1.217 53.608 54.840 -0.025 0.000 0.975 439 L CB 0.223 42.268 42.059 -0.023 0.000 1.341 439 L HN -0.090 nan 8.230 nan 0.000 0.431 440 P HA 0.044 nan 4.420 nan 0.000 0.269 440 P C 0.745 178.046 177.300 0.003 0.000 1.461 440 P CA 0.554 63.653 63.100 -0.003 0.000 0.809 440 P CB 0.306 32.004 31.700 -0.003 0.000 1.503 441 E N -1.364 118.838 120.200 0.002 0.000 2.601 441 E HA 0.236 4.588 4.350 0.003 0.000 0.219 441 E C 1.360 177.965 176.600 0.009 0.000 0.964 441 E CA -0.013 56.391 56.400 0.007 0.000 1.050 441 E CB 0.582 30.284 29.700 0.004 0.000 1.068 441 E HN 0.134 nan 8.360 nan 0.000 0.496 442 A N 0.629 123.451 122.820 0.004 0.000 1.984 442 A HA 0.400 4.722 4.320 0.003 0.000 0.214 442 A C 1.650 179.226 177.584 -0.013 0.000 1.173 442 A CA 1.496 53.529 52.037 -0.005 0.000 0.673 442 A CB 0.153 19.151 19.000 -0.004 0.000 0.830 442 A HN 0.231 nan 8.150 nan 0.000 0.453 443 A N -2.397 120.431 122.820 0.014 0.000 3.614 443 A HA -0.218 4.104 4.320 0.003 0.000 0.246 443 A C 1.255 178.854 177.584 0.025 0.000 1.044 443 A CA 1.458 53.506 52.037 0.019 0.000 1.548 443 A CB -1.949 17.053 19.000 0.003 0.000 0.974 443 A HN 1.163 nan 8.150 nan 0.000 0.844 444 I N 1.226 121.813 120.570 0.029 0.000 3.172 444 I HA 0.091 4.263 4.170 0.003 0.000 0.278 444 I C 1.897 178.040 176.117 0.044 0.000 1.174 444 I CA 1.624 62.941 61.300 0.028 0.000 1.445 444 I CB -0.349 37.664 38.000 0.021 0.000 1.175 444 I HN 0.591 nan 8.210 nan 0.000 0.447 445 N N 0.135 118.873 118.700 0.063 0.000 2.251 445 N HA -0.117 4.625 4.740 0.003 0.000 0.181 445 N C 0.381 175.962 175.510 0.119 0.000 1.019 445 N CA 1.461 54.570 53.050 0.098 0.000 0.862 445 N CB -0.271 38.303 38.487 0.146 0.000 0.992 445 N HN 0.336 nan 8.380 nan 0.000 0.429 446 D N -0.088 120.376 120.400 0.105 0.000 3.845 446 D HA -0.301 4.340 4.640 0.003 0.000 0.144 446 D C 0.968 177.395 176.300 0.212 0.000 0.889 446 D CA 2.308 56.370 54.000 0.104 0.000 1.096 446 D CB -1.045 39.807 40.800 0.087 0.000 0.515 446 D HN 0.401 nan 8.370 nan 0.000 0.525 447 V N -2.724 117.293 119.914 0.171 0.000 0.691 447 V HA -0.321 3.801 4.120 0.003 0.000 0.092 447 V C 0.665 176.904 176.094 0.243 0.000 0.768 447 V CA 1.021 63.417 62.300 0.159 0.000 3.097 447 V CB -1.449 30.425 31.823 0.085 0.000 0.181 447 V HN 1.102 nan 8.190 nan 0.000 0.062 448 Y N -0.063 120.224 120.300 -0.023 0.000 3.396 448 Y HA -0.235 4.316 4.550 0.003 0.000 0.214 448 Y C 1.241 177.114 175.900 -0.044 0.000 1.203 448 Y CA 0.432 58.516 58.100 -0.027 0.000 1.401 448 Y CB -1.420 37.029 38.460 -0.019 0.000 1.409 448 Y HN 0.475 nan 8.280 nan 0.000 0.594 449 L N -0.832 120.402 121.223 0.018 0.000 2.046 449 L HA -0.231 4.111 4.340 0.003 0.000 0.208 449 L C 2.531 179.383 176.870 -0.030 0.000 1.077 449 L CA 2.072 56.885 54.840 -0.045 0.000 0.747 449 L CB -1.896 40.090 42.059 -0.123 0.000 0.896 449 L HN 0.540 nan 8.230 nan 0.000 0.432 450 A N 0.458 123.263 122.820 -0.026 0.000 1.902 450 A HA -0.104 4.218 4.320 0.003 0.000 0.217 450 A C 0.312 177.899 177.584 0.006 0.000 1.181 450 A CA 1.465 53.491 52.037 -0.018 0.000 0.623 450 A CB -1.746 17.239 19.000 -0.025 0.000 0.818 450 A HN 0.332 nan 8.150 nan 0.000 0.443 451 P HA -0.058 nan 4.420 nan 0.000 0.216 451 P C 1.439 178.763 177.300 0.040 0.000 1.153 451 P CA 0.818 63.955 63.100 0.062 0.000 0.844 451 P CB 0.081 31.869 31.700 0.146 0.000 0.787 452 L N -2.304 118.942 121.223 0.039 0.000 2.685 452 L HA 0.124 4.465 4.340 0.003 0.000 0.235 452 L C 1.841 178.706 176.870 -0.008 0.000 1.070 452 L CA 0.116 54.965 54.840 0.015 0.000 0.888 452 L CB -0.155 41.914 42.059 0.018 0.000 1.203 452 L HN -0.142 nan 8.230 nan 0.000 0.499 453 L N 0.374 121.583 121.223 -0.024 0.000 2.046 453 L HA -0.188 4.154 4.340 0.003 0.000 0.208 453 L C 2.079 178.916 176.870 -0.055 0.000 1.077 453 L CA 1.862 56.668 54.840 -0.056 0.000 0.747 453 L CB -0.812 41.187 42.059 -0.100 0.000 0.896 453 L HN 0.445 nan 8.230 nan 0.000 0.432 454 Q N -2.393 117.380 119.800 -0.043 0.000 2.482 454 Q HA -0.062 4.280 4.340 0.003 0.000 0.209 454 Q C 1.922 177.895 176.000 -0.045 0.000 0.961 454 Q CA 0.409 56.185 55.803 -0.044 0.000 0.945 454 Q CB 0.226 28.945 28.738 -0.032 0.000 1.012 454 Q HN 0.526 nan 8.270 nan 0.000 0.515 455 C N -0.904 118.373 119.300 -0.038 0.000 2.628 455 C HA 0.150 4.612 4.460 0.003 0.000 0.393 455 C C 2.167 177.131 174.990 -0.044 0.000 1.328 455 C CA -0.339 58.660 59.018 -0.032 0.000 2.079 455 C CB -0.350 27.387 27.740 -0.005 0.000 2.663 455 C HN 0.482 nan 8.230 nan 0.000 0.557 456 L N 0.630 121.831 121.223 -0.036 0.000 2.275 456 L HA -0.050 4.292 4.340 0.003 0.000 0.215 456 L C 1.722 178.514 176.870 -0.131 0.000 1.119 456 L CA 1.429 56.254 54.840 -0.026 0.000 0.790 456 L CB -0.015 42.043 42.059 -0.002 0.000 0.919 456 L HN 0.298 nan 8.230 nan 0.000 0.443 457 I N -1.544 118.933 120.570 -0.155 0.000 3.939 457 I HA -0.046 4.126 4.170 0.003 0.000 0.313 457 I C 2.075 178.036 176.117 -0.259 0.000 1.274 457 I CA 0.428 61.592 61.300 -0.227 0.000 1.301 457 I CB 0.163 38.090 38.000 -0.120 0.000 1.105 457 I HN 0.023 nan 8.210 nan 0.000 0.427 458 E N 0.971 121.066 120.200 -0.174 0.000 2.038 458 E HA -0.167 4.185 4.350 0.003 0.000 0.195 458 E C 2.384 178.873 176.600 -0.185 0.000 1.000 458 E CA 1.776 58.095 56.400 -0.136 0.000 0.803 458 E CB -0.658 28.999 29.700 -0.072 0.000 0.750 458 E HN 0.390 nan 8.360 nan 0.000 0.448 459 G N 0.543 109.213 108.800 -0.217 0.000 2.422 459 G HA2 -0.256 3.705 3.960 0.003 0.000 0.218 459 G HA3 -0.256 3.705 3.960 0.003 0.000 0.218 459 G C 1.612 176.080 174.900 -0.720 0.000 1.146 459 G CA 0.684 45.664 45.100 -0.200 0.000 0.769 459 G HN 0.308 nan 8.290 nan 0.000 0.547 460 L N 0.876 121.260 121.223 -1.397 0.000 2.081 460 L HA -0.083 4.259 4.340 0.003 0.000 0.212 460 L C 1.458 178.031 176.870 -0.495 0.000 1.080 460 L CA 1.011 54.887 54.840 -1.607 0.000 0.754 460 L CB -0.124 41.436 42.059 -0.832 0.000 0.893 460 L HN 0.108 nan 8.230 nan 0.000 0.433 461 S N 0.680 116.201 115.700 -0.298 0.000 3.697 461 S HA 0.465 4.937 4.470 0.003 0.000 0.207 461 S C 0.330 174.903 174.600 -0.046 0.000 1.459 461 S CA 0.233 58.364 58.200 -0.115 0.000 1.122 461 S CB -0.607 62.537 63.200 -0.094 0.000 1.311 461 S HN 0.586 nan 8.310 nan 0.000 0.487 466 V N -0.425 119.484 119.914 -0.008 0.000 3.383 466 V HA 0.422 4.544 4.120 0.003 0.000 0.272 466 V C 1.179 177.294 176.094 0.035 0.000 1.181 466 V CA 1.361 63.660 62.300 -0.002 0.000 1.171 466 V CB 0.183 31.997 31.823 -0.014 0.000 0.800 466 V HN 0.514 nan 8.190 nan 0.000 0.515 467 A N -1.255 121.596 122.820 0.052 0.000 2.596 467 A HA 0.566 4.888 4.320 0.003 0.000 0.276 467 A C 1.406 179.063 177.584 0.123 0.000 0.962 467 A CA 0.562 52.656 52.037 0.095 0.000 1.010 467 A CB 0.403 19.447 19.000 0.073 0.000 1.220 467 A HN 0.411 nan 8.150 nan 0.000 0.549 468 S N -0.375 115.378 115.700 0.089 0.000 2.830 468 S HA 0.000 4.472 4.470 0.003 0.000 0.249 468 S C 1.722 176.373 174.600 0.084 0.000 1.084 468 S CA 0.888 59.136 58.200 0.080 0.000 0.852 468 S CB -0.145 63.075 63.200 0.033 0.000 0.802 468 S HN 0.468 nan 8.310 nan 0.000 0.481 469 N N 1.952 120.693 118.700 0.069 0.000 2.142 469 N HA -0.046 4.696 4.740 0.003 0.000 0.186 469 N C 1.452 177.108 175.510 0.243 0.000 1.023 469 N CA 1.887 54.989 53.050 0.085 0.000 0.852 469 N CB -0.542 37.956 38.487 0.018 0.000 0.998 469 N HN 0.302 nan 8.380 nan 0.000 0.424 470 V N -0.155 119.876 119.914 0.196 0.000 3.141 470 V HA -0.149 3.973 4.120 0.003 0.000 0.265 470 V C 2.542 178.670 176.094 0.057 0.000 1.126 470 V CA 0.807 63.235 62.300 0.213 0.000 1.141 470 V CB -0.870 31.081 31.823 0.213 0.000 0.743 470 V HN 0.435 nan 8.190 nan 0.000 0.492 471 C N 0.065 119.369 119.300 0.008 0.000 2.462 471 C HA -0.183 4.278 4.460 0.003 0.000 0.278 471 C C 2.617 177.047 174.990 -0.935 0.000 1.253 471 C CA 0.930 59.676 59.018 -0.453 0.000 1.713 471 C CB -0.996 26.772 27.740 0.046 0.000 2.049 471 C HN 0.930 nan 8.230 nan 0.000 0.477 472 W N 2.109 123.138 121.300 -0.450 0.000 2.341 472 W HA -0.118 4.544 4.660 0.003 0.000 0.283 472 W C 1.965 178.295 176.519 -0.316 0.000 1.215 472 W CA 1.647 58.808 57.345 -0.307 0.000 1.211 472 W CB -0.302 29.079 29.460 -0.132 0.000 1.131 472 W HN 0.298 nan 8.180 nan 0.000 0.552 473 A N 1.720 123.888 122.820 -1.087 0.000 1.826 473 A HA -0.111 4.211 4.320 0.003 0.000 0.214 473 A C 1.989 179.170 177.584 -0.672 0.000 1.212 473 A CA 1.655 52.905 52.037 -1.312 0.000 0.605 473 A CB -1.772 16.741 19.000 -0.812 0.000 0.861 473 A HN 0.795 nan 8.150 nan 0.000 0.447 474 F N 1.678 121.501 119.950 -0.212 0.000 2.236 474 F HA -0.198 4.331 4.527 0.003 0.000 0.302 474 F C 2.230 177.974 175.800 -0.094 0.000 1.073 474 F CA 1.516 59.449 58.000 -0.111 0.000 1.336 474 F CB -0.936 38.039 39.000 -0.041 0.000 1.040 474 F HN 0.247 nan 8.300 nan 0.000 0.507 475 S N -0.483 115.166 115.700 -0.085 0.000 2.377 475 S HA -0.150 4.321 4.470 0.003 0.000 0.223 475 S C 1.900 176.479 174.600 -0.036 0.000 1.030 475 S CA 0.768 59.016 58.200 0.080 0.000 0.970 475 S CB -0.887 62.300 63.200 -0.021 0.000 0.830 475 S HN 0.399 nan 8.310 nan 0.000 0.473 476 S N 0.180 115.756 115.700 -0.206 0.000 2.720 476 S HA 0.325 4.797 4.470 0.003 0.000 0.222 476 S C 1.066 175.589 174.600 -0.129 0.000 0.958 476 S CA -0.071 58.028 58.200 -0.168 0.000 0.943 476 S CB -0.687 62.354 63.200 -0.265 0.000 0.779 476 S HN 0.536 nan 8.310 nan 0.000 0.526 477 L N -0.362 120.816 121.223 -0.076 0.000 2.614 477 L HA 0.392 4.733 4.340 0.003 0.000 0.185 477 L C 2.674 179.565 176.870 0.034 0.000 1.098 477 L CA 0.722 55.544 54.840 -0.031 0.000 0.852 477 L CB -0.919 41.129 42.059 -0.019 0.000 1.213 477 L HN 0.261 nan 8.230 nan 0.000 0.491 478 A N 0.314 123.185 122.820 0.084 0.000 1.986 478 A HA -0.270 4.051 4.320 0.003 0.000 0.220 478 A C 2.136 179.786 177.584 0.109 0.000 1.171 478 A CA 2.149 54.247 52.037 0.101 0.000 0.640 478 A CB -0.542 18.539 19.000 0.135 0.000 0.811 478 A HN 0.529 nan 8.150 nan 0.000 0.451 479 E N 0.079 120.326 120.200 0.078 0.000 2.015 479 E HA -0.131 4.221 4.350 0.003 0.000 0.191 479 E C 2.179 178.834 176.600 0.092 0.000 0.991 479 E CA 1.117 57.553 56.400 0.060 0.000 0.802 479 E CB -0.351 29.358 29.700 0.014 0.000 0.759 479 E HN 0.480 nan 8.360 nan 0.000 0.447 480 A N 1.281 124.130 122.820 0.047 0.000 1.986 480 A HA -0.164 4.157 4.320 0.003 0.000 0.220 480 A C 2.367 179.991 177.584 0.068 0.000 1.171 480 A CA 2.093 54.153 52.037 0.038 0.000 0.640 480 A CB -0.739 18.250 19.000 -0.018 0.000 0.811 480 A HN 0.456 nan 8.150 nan 0.000 0.451 481 A N -1.596 121.274 122.820 0.084 0.000 1.929 481 A HA -0.013 4.309 4.320 0.003 0.000 0.216 481 A C 2.049 179.716 177.584 0.139 0.000 1.176 481 A CA 1.418 53.510 52.037 0.090 0.000 0.628 481 A CB -0.752 18.292 19.000 0.074 0.000 0.816 481 A HN 0.743 nan 8.150 nan 0.000 0.444 482 Y N 1.207 121.539 120.300 0.054 0.000 2.030 482 Y HA -0.316 4.236 4.550 0.003 0.000 0.274 482 Y C 2.295 178.212 175.900 0.029 0.000 1.153 482 Y CA 2.613 60.746 58.100 0.054 0.000 1.115 482 Y CB -0.410 38.065 38.460 0.026 0.000 0.969 482 Y HN 0.404 nan 8.280 nan 0.000 0.488 483 E N 1.087 121.509 120.200 0.369 0.000 2.065 483 E HA -0.215 4.136 4.350 0.003 0.000 0.201 483 E C 1.519 178.130 176.600 0.018 0.000 1.016 483 E CA 1.542 58.065 56.400 0.205 0.000 0.818 483 E CB -0.599 29.205 29.700 0.175 0.000 0.749 483 E HN 0.491 nan 8.360 nan 0.000 0.453 484 A N -0.376 122.461 122.820 0.028 0.000 2.916 484 A HA 0.527 4.849 4.320 0.003 0.000 0.254 484 A C 0.879 178.456 177.584 -0.013 0.000 1.544 484 A CA 0.638 52.676 52.037 0.002 0.000 1.224 484 A CB -0.589 18.418 19.000 0.012 0.000 1.012 484 A HN 0.225 nan 8.150 nan 0.000 0.636 485 A N 0.116 122.891 122.820 -0.075 0.000 2.716 485 A HA 0.377 4.699 4.320 0.003 0.000 0.252 485 A C 0.417 177.891 177.584 -0.184 0.000 1.144 485 A CA 0.512 52.501 52.037 -0.080 0.000 0.995 485 A CB 0.523 19.516 19.000 -0.011 0.000 1.252 485 A HN 0.512 nan 8.150 nan 0.000 0.593 486 D N -0.539 119.743 120.400 -0.196 0.000 2.583 486 D HA 0.071 4.713 4.640 0.003 0.000 0.282 486 D C -0.041 176.189 176.300 -0.118 0.000 1.485 486 D CA 0.854 54.737 54.000 -0.195 0.000 0.834 486 D CB -0.342 40.278 40.800 -0.300 0.000 1.258 486 D HN 0.576 nan 8.370 nan 0.000 0.470 487 V N -1.343 118.522 119.914 -0.082 0.000 2.454 487 V HA 0.908 5.030 4.120 0.003 0.000 0.255 487 V C 0.010 176.085 176.094 -0.033 0.000 1.009 487 V CA -0.248 62.024 62.300 -0.047 0.000 1.149 487 V CB 0.258 32.065 31.823 -0.027 0.000 1.418 487 V HN 0.383 nan 8.190 nan 0.000 0.567 488 A N 2.381 125.180 122.820 -0.034 0.000 2.414 488 A HA 1.017 5.338 4.320 0.003 0.000 0.278 488 A C -1.062 176.492 177.584 -0.050 0.000 1.228 488 A CA -0.243 51.766 52.037 -0.047 0.000 0.857 488 A CB 1.546 20.524 19.000 -0.037 0.000 1.389 488 A HN 0.817 nan 8.150 nan 0.000 0.452 489 D N 0.209 120.573 120.400 -0.060 0.000 2.891 489 D HA 0.509 5.150 4.640 0.003 0.000 0.224 489 D C -2.147 174.102 176.300 -0.084 0.000 1.321 489 D CA -0.048 53.912 54.000 -0.066 0.000 0.929 489 D CB 1.711 42.482 40.800 -0.047 0.000 1.551 489 D HN 0.313 nan 8.370 nan 0.000 0.574 490 D N 2.486 122.822 120.400 -0.106 0.000 2.419 490 D HA 0.080 4.722 4.640 0.003 0.000 0.219 490 D C 0.682 176.911 176.300 -0.118 0.000 1.349 490 D CA 0.038 53.966 54.000 -0.121 0.000 0.964 490 D CB 0.877 41.574 40.800 -0.172 0.000 1.463 490 D HN 0.342 nan 8.370 nan 0.000 0.573 491 Q N 2.411 122.158 119.800 -0.089 0.000 2.146 491 Q HA -0.312 4.029 4.340 0.003 0.000 0.412 491 Q C 0.066 176.022 176.000 -0.073 0.000 0.668 491 Q CA 1.677 57.434 55.803 -0.076 0.000 0.931 491 Q CB -1.137 27.553 28.738 -0.080 0.000 2.824 491 Q HN 0.610 nan 8.270 nan 0.000 0.873 492 E N 0.774 120.931 120.200 -0.072 0.000 2.641 492 E HA 0.277 4.628 4.350 0.003 0.000 0.224 492 E C -0.517 176.048 176.600 -0.059 0.000 0.951 492 E CA 0.193 56.559 56.400 -0.057 0.000 1.102 492 E CB 0.988 30.664 29.700 -0.039 0.000 1.091 492 E HN 0.312 nan 8.360 nan 0.000 0.507 493 E N 0.739 120.880 120.200 -0.099 0.000 2.343 493 E HA 0.211 4.563 4.350 0.003 0.000 0.286 493 E C -2.859 173.607 176.600 -0.222 0.000 0.915 493 E CA -2.324 54.003 56.400 -0.120 0.000 0.784 493 E CB 1.651 31.383 29.700 0.052 0.000 1.251 493 E HN -0.222 nan 8.360 nan 0.000 0.407 494 P HA 0.110 nan 4.420 nan 0.000 0.266 494 P C 0.192 177.267 177.300 -0.375 0.000 1.419 494 P CA 0.322 63.140 63.100 -0.470 0.000 1.112 494 P CB 0.422 31.765 31.700 -0.594 0.000 1.438 495 A N 2.900 125.559 122.820 -0.268 0.000 1.877 495 A HA -0.109 4.213 4.320 0.003 0.000 0.216 495 A C 1.783 179.305 177.584 -0.105 0.000 1.186 495 A CA 2.121 54.074 52.037 -0.140 0.000 0.620 495 A CB -0.644 18.305 19.000 -0.085 0.000 0.822 495 A HN 0.408 nan 8.150 nan 0.000 0.443 496 T N -1.764 112.689 114.554 -0.167 0.000 3.475 496 T HA 0.252 4.604 4.350 0.003 0.000 0.310 496 T C 0.856 175.669 174.700 0.188 0.000 0.963 496 T CA 0.192 62.302 62.100 0.016 0.000 0.985 496 T CB -0.363 68.520 68.868 0.025 0.000 1.198 496 T HN 0.501 nan 8.240 nan 0.000 0.508 497 Y N -0.712 119.587 120.300 -0.002 0.000 2.286 497 Y HA 0.311 4.863 4.550 0.003 0.000 0.293 497 Y C 1.637 177.542 175.900 0.008 0.000 1.124 497 Y CA -0.526 57.573 58.100 -0.001 0.000 1.178 497 Y CB -1.433 37.021 38.460 -0.011 0.000 1.010 497 Y HN 0.390 nan 8.280 nan 0.000 0.536 498 C N 0.908 120.263 119.300 0.091 0.000 2.982 498 C HA 0.299 4.761 4.460 0.003 0.000 0.091 498 C C 2.323 177.326 174.990 0.021 0.000 2.445 498 C CA 0.091 59.027 59.018 -0.135 0.000 1.201 498 C CB -0.694 26.783 27.740 -0.439 0.000 2.073 498 C HN 0.474 nan 8.230 nan 0.000 0.508 499 L N 2.554 123.797 121.223 0.032 0.000 2.660 499 L HA 0.165 4.506 4.340 0.003 0.000 0.238 499 L C 1.831 178.824 176.870 0.206 0.000 1.161 499 L CA 0.811 55.716 54.840 0.109 0.000 0.937 499 L CB -0.805 41.323 42.059 0.116 0.000 1.122 499 L HN 0.609 nan 8.230 nan 0.000 0.435 500 S N -0.732 115.094 115.700 0.210 0.000 2.370 500 S HA -0.237 4.235 4.470 0.003 0.000 0.226 500 S C 1.948 176.671 174.600 0.205 0.000 1.033 500 S CA 1.507 59.834 58.200 0.213 0.000 1.011 500 S CB -0.608 62.706 63.200 0.189 0.000 0.852 500 S HN 0.590 nan 8.310 nan 0.000 0.457 501 S N 1.255 117.044 115.700 0.148 0.000 2.603 501 S HA 0.148 4.620 4.470 0.003 0.000 0.220 501 S C 0.607 175.263 174.600 0.094 0.000 0.967 501 S CA 0.399 58.665 58.200 0.109 0.000 0.920 501 S CB -0.407 62.837 63.200 0.074 0.000 0.773 501 S HN 0.803 nan 8.310 nan 0.000 0.529 502 S N 0.238 116.011 115.700 0.122 0.000 2.680 502 S HA 0.270 4.742 4.470 0.003 0.000 0.153 502 S C -0.071 174.596 174.600 0.111 0.000 1.224 502 S CA -0.753 57.488 58.200 0.069 0.000 1.197 502 S CB -0.732 62.486 63.200 0.029 0.000 1.634 502 S HN 0.448 nan 8.310 nan 0.000 0.422 503 F N 1.906 121.864 119.950 0.014 0.000 2.553 503 F HA 0.350 4.879 4.527 0.003 0.000 0.282 503 F C 1.972 177.776 175.800 0.007 0.000 1.089 503 F CA 0.459 58.469 58.000 0.017 0.000 1.411 503 F CB -0.275 38.751 39.000 0.043 0.000 1.125 503 F HN 0.399 nan 8.300 nan 0.000 0.610 504 E N 1.412 120.878 120.200 -1.224 0.000 2.204 504 E HA -0.209 4.142 4.350 0.003 0.000 0.195 504 E C 1.842 178.204 176.600 -0.396 0.000 0.990 504 E CA 1.288 57.115 56.400 -0.955 0.000 0.821 504 E CB -0.729 28.569 29.700 -0.671 0.000 0.750 504 E HN 0.554 nan 8.360 nan 0.000 0.477 505 L N 1.456 122.534 121.223 -0.242 0.000 2.700 505 L HA -0.011 4.331 4.340 0.003 0.000 0.240 505 L C 0.898 177.703 176.870 -0.107 0.000 1.162 505 L CA 0.740 55.505 54.840 -0.126 0.000 0.874 505 L CB 0.096 42.114 42.059 -0.067 0.000 1.001 505 L HN 0.366 nan 8.230 nan 0.000 0.447 506 I N -3.070 117.417 120.570 -0.138 0.000 4.263 506 I HA 0.118 4.290 4.170 0.003 0.000 0.335 506 I C 0.985 177.064 176.117 -0.064 0.000 1.389 506 I CA 0.570 61.823 61.300 -0.078 0.000 1.156 506 I CB -0.594 37.378 38.000 -0.047 0.000 1.510 506 I HN 0.045 nan 8.210 nan 0.000 0.566 507 V N -0.707 119.111 119.914 -0.160 0.000 3.350 507 V HA 0.108 4.230 4.120 0.003 0.000 0.246 507 V C 1.999 178.030 176.094 -0.105 0.000 1.363 507 V CA 1.115 63.347 62.300 -0.115 0.000 1.162 507 V CB 0.267 31.983 31.823 -0.179 0.000 0.947 507 V HN 0.374 nan 8.190 nan 0.000 0.454 508 Q N 1.035 120.737 119.800 -0.163 0.000 2.389 508 Q HA -0.044 4.297 4.340 0.003 0.000 0.204 508 Q C 1.897 177.855 176.000 -0.069 0.000 0.944 508 Q CA 1.565 57.304 55.803 -0.106 0.000 0.908 508 Q CB -0.168 28.493 28.738 -0.129 0.000 1.002 508 Q HN 0.576 nan 8.270 nan 0.000 0.493 509 K N 0.164 120.519 120.400 -0.075 0.000 2.379 509 K HA 0.138 4.460 4.320 0.003 0.000 0.194 509 K C 1.342 177.930 176.600 -0.020 0.000 1.031 509 K CA 0.184 56.443 56.287 -0.047 0.000 1.037 509 K CB 0.251 32.718 32.500 -0.056 0.000 0.824 509 K HN 0.250 nan 8.250 nan 0.000 0.516 510 L N 0.023 121.241 121.223 -0.008 0.000 2.463 510 L HA 0.293 4.635 4.340 0.003 0.000 0.219 510 L C 1.046 177.940 176.870 0.040 0.000 1.088 510 L CA 0.542 55.402 54.840 0.033 0.000 0.849 510 L CB 0.146 42.248 42.059 0.071 0.000 1.012 510 L HN 0.091 nan 8.230 nan 0.000 0.468 511 L N -0.343 120.898 121.223 0.030 0.000 2.711 511 L HA -0.015 4.327 4.340 0.003 0.000 0.242 511 L C 1.768 178.651 176.870 0.021 0.000 1.153 511 L CA 0.383 55.250 54.840 0.045 0.000 0.898 511 L CB -0.137 41.942 42.059 0.033 0.000 1.044 511 L HN 0.291 nan 8.230 nan 0.000 0.437 512 E N -1.145 119.058 120.200 0.005 0.000 2.485 512 E HA 0.030 4.381 4.350 0.003 0.000 0.213 512 E C 1.483 178.076 176.600 -0.012 0.000 0.923 512 E CA 0.409 56.806 56.400 -0.005 0.000 1.054 512 E CB 0.661 30.356 29.700 -0.010 0.000 1.077 512 E HN 0.252 nan 8.360 nan 0.000 0.509 513 T N -0.134 114.413 114.554 -0.012 0.000 3.067 513 T HA -0.038 4.314 4.350 0.003 0.000 0.257 513 T C 1.665 176.319 174.700 -0.076 0.000 1.105 513 T CA 1.472 63.557 62.100 -0.025 0.000 1.104 513 T CB 0.150 69.019 68.868 0.001 0.000 0.925 513 T HN 0.209 nan 8.240 nan 0.000 0.498 514 T N -1.581 112.921 114.554 -0.086 0.000 3.001 514 T HA 0.135 4.487 4.350 0.003 0.000 0.251 514 T C 1.230 175.877 174.700 -0.088 0.000 1.040 514 T CA -0.037 61.944 62.100 -0.197 0.000 0.985 514 T CB 0.103 68.829 68.868 -0.237 0.000 1.011 514 T HN -0.021 nan 8.240 nan 0.000 0.509 515 D N 1.469 121.852 120.400 -0.028 0.000 2.340 515 D HA 0.144 4.786 4.640 0.003 0.000 0.220 515 D C 0.689 176.978 176.300 -0.018 0.000 1.039 515 D CA -0.036 53.962 54.000 -0.003 0.000 0.866 515 D CB 0.121 40.927 40.800 0.010 0.000 0.913 515 D HN 0.465 nan 8.370 nan 0.000 0.523 516 R N 0.742 121.220 120.500 -0.037 0.000 2.698 516 R HA 0.021 4.362 4.340 0.003 0.000 0.266 516 R C -1.292 174.986 176.300 -0.036 0.000 1.026 516 R CA -0.672 55.408 56.100 -0.034 0.000 1.102 516 R CB 0.240 30.515 30.300 -0.040 0.000 0.978 516 R HN 0.009 nan 8.270 nan 0.000 0.436 517 P HA -0.097 nan 4.420 nan 0.000 0.217 517 P C 0.217 177.492 177.300 -0.042 0.000 1.154 517 P CA 1.084 64.160 63.100 -0.040 0.000 0.841 517 P CB 0.228 31.908 31.700 -0.033 0.000 0.790 518 D N -1.091 119.293 120.400 -0.027 0.000 2.462 518 D HA 0.085 4.727 4.640 0.003 0.000 0.221 518 D C 0.792 177.099 176.300 0.012 0.000 1.173 518 D CA -0.333 53.659 54.000 -0.013 0.000 0.831 518 D CB -0.804 39.989 40.800 -0.012 0.000 1.001 518 D HN -0.044 nan 8.370 nan 0.000 0.499 519 G N 0.447 109.244 108.800 -0.003 0.000 2.852 519 G HA2 0.105 4.067 3.960 0.003 0.000 0.280 519 G HA3 0.105 4.067 3.960 0.003 0.000 0.280 519 G C 0.192 175.114 174.900 0.036 0.000 0.731 519 G CA -0.043 45.051 45.100 -0.010 0.000 2.037 519 G HN 0.443 nan 8.290 nan 0.000 0.560 520 H N -0.056 118.978 119.070 -0.060 0.000 3.950 520 H HA 0.172 4.729 4.556 0.003 0.000 0.262 520 H C 0.841 176.145 175.328 -0.040 0.000 1.115 520 H CA -0.150 55.867 56.048 -0.052 0.000 1.171 520 H CB 0.513 30.245 29.762 -0.049 0.000 1.477 520 H HN 0.420 nan 8.280 nan 0.000 0.729 521 Q N 1.712 121.503 119.800 -0.014 0.000 2.307 521 Q HA 0.177 4.519 4.340 0.003 0.000 0.259 521 Q C -0.424 175.527 176.000 -0.083 0.000 0.998 521 Q CA -0.387 55.388 55.803 -0.047 0.000 0.923 521 Q CB 0.658 29.396 28.738 -0.001 0.000 1.196 521 Q HN 0.327 nan 8.270 nan 0.000 0.416 522 N N 3.065 121.699 118.700 -0.110 0.000 2.648 522 N HA -0.226 4.516 4.740 0.003 0.000 0.265 522 N C -0.228 175.225 175.510 -0.094 0.000 1.100 522 N CA 0.933 53.926 53.050 -0.095 0.000 0.715 522 N CB -0.910 37.538 38.487 -0.065 0.000 0.881 522 N HN 0.930 nan 8.380 nan 0.000 0.548 523 N N -1.109 117.518 118.700 -0.122 0.000 2.967 523 N HA -0.226 4.516 4.740 0.003 0.000 0.218 523 N C 1.173 176.641 175.510 -0.071 0.000 0.870 523 N CA 1.171 54.164 53.050 -0.094 0.000 1.030 523 N CB -1.152 37.288 38.487 -0.077 0.000 1.027 523 N HN 0.387 nan 8.380 nan 0.000 0.603 524 L N 0.253 121.432 121.223 -0.074 0.000 2.054 524 L HA -0.150 4.192 4.340 0.003 0.000 0.220 524 L C 1.091 177.911 176.870 -0.083 0.000 1.081 524 L CA 2.256 57.061 54.840 -0.058 0.000 0.780 524 L CB -0.522 41.505 42.059 -0.055 0.000 0.893 524 L HN 0.446 nan 8.230 nan 0.000 0.438 525 R N -2.340 118.091 120.500 -0.116 0.000 2.892 525 R HA 0.316 4.658 4.340 0.003 0.000 0.265 525 R C 0.790 177.066 176.300 -0.040 0.000 1.025 525 R CA 0.358 56.351 56.100 -0.179 0.000 0.982 525 R CB 1.688 31.814 30.300 -0.290 0.000 1.185 525 R HN 0.196 nan 8.270 nan 0.000 0.484 526 S N -0.922 114.851 115.700 0.121 0.000 2.691 526 S HA -0.221 4.251 4.470 0.003 0.000 0.262 526 S C 0.632 175.322 174.600 0.149 0.000 1.284 526 S CA 1.549 59.886 58.200 0.227 0.000 1.372 526 S CB -1.251 62.019 63.200 0.118 0.000 1.693 526 S HN 0.715 nan 8.310 nan 0.000 0.647 527 S N -0.079 115.689 115.700 0.114 0.000 3.039 527 S HA 0.542 5.013 4.470 0.003 0.000 0.251 527 S C 1.773 176.459 174.600 0.144 0.000 1.064 527 S CA 0.958 59.215 58.200 0.095 0.000 0.822 527 S CB -0.192 63.020 63.200 0.020 0.000 0.802 527 S HN 0.878 nan 8.310 nan 0.000 0.519 528 A N 0.521 123.415 122.820 0.124 0.000 2.119 528 A HA 0.110 4.432 4.320 0.003 0.000 0.217 528 A C 1.787 179.494 177.584 0.203 0.000 1.153 528 A CA 0.862 52.980 52.037 0.136 0.000 0.692 528 A CB -0.868 18.192 19.000 0.100 0.000 0.799 528 A HN 0.659 nan 8.150 nan 0.000 0.458 529 Y N 1.861 122.195 120.300 0.057 0.000 2.207 529 Y HA -0.252 4.300 4.550 0.003 0.000 0.287 529 Y C 2.309 178.242 175.900 0.055 0.000 1.156 529 Y CA 1.837 59.968 58.100 0.052 0.000 1.182 529 Y CB -0.582 37.903 38.460 0.041 0.000 0.979 529 Y HN 0.673 nan 8.280 nan 0.000 0.521 530 E N -1.263 119.057 120.200 0.199 0.000 2.209 530 E HA -0.147 4.205 4.350 0.003 0.000 0.196 530 E C 2.073 178.733 176.600 0.100 0.000 0.993 530 E CA 1.527 57.987 56.400 0.099 0.000 0.819 530 E CB -1.002 28.758 29.700 0.099 0.000 0.745 530 E HN 0.164 nan 8.360 nan 0.000 0.477 531 S N 0.821 116.602 115.700 0.136 0.000 2.370 531 S HA -0.069 4.402 4.470 0.003 0.000 0.226 531 S C 1.603 176.285 174.600 0.136 0.000 1.033 531 S CA 1.196 59.476 58.200 0.133 0.000 1.011 531 S CB -0.416 62.882 63.200 0.163 0.000 0.852 531 S HN 0.269 nan 8.310 nan 0.000 0.457 532 L N 0.468 121.784 121.223 0.156 0.000 2.784 532 L HA 0.108 4.449 4.340 0.003 0.000 0.247 532 L C 1.350 178.258 176.870 0.064 0.000 1.162 532 L CA 0.661 55.577 54.840 0.127 0.000 0.881 532 L CB -0.424 41.744 42.059 0.181 0.000 1.032 532 L HN 0.372 nan 8.230 nan 0.000 0.446 533 M N -2.281 117.350 119.600 0.052 0.000 2.241 533 M HA 0.088 4.570 4.480 0.003 0.000 0.374 533 M C 0.731 177.050 176.300 0.032 0.000 0.922 533 M CA 0.100 55.414 55.300 0.024 0.000 1.031 533 M CB 1.005 33.596 32.600 -0.015 0.000 1.864 533 M HN 0.004 nan 8.290 nan 0.000 0.636 534 E N 0.073 120.306 120.200 0.055 0.000 2.441 534 E HA 0.177 4.528 4.350 0.003 0.000 0.207 534 E C 1.292 177.929 176.600 0.060 0.000 0.803 534 E CA 0.370 56.794 56.400 0.040 0.000 1.240 534 E CB 0.410 30.135 29.700 0.041 0.000 1.233 534 E HN 0.268 nan 8.360 nan 0.000 0.590 535 I N 2.064 122.704 120.570 0.117 0.000 3.176 535 I HA -0.118 4.053 4.170 0.003 0.000 0.275 535 I C 1.497 177.756 176.117 0.238 0.000 1.298 535 I CA 0.678 62.085 61.300 0.178 0.000 1.445 535 I CB 0.110 38.243 38.000 0.223 0.000 1.075 535 I HN -0.053 nan 8.210 nan 0.000 0.482 536 V N -3.422 116.600 119.914 0.181 0.000 3.432 536 V HA 0.203 4.324 4.120 0.003 0.000 0.298 536 V C 2.078 178.194 176.094 0.037 0.000 1.464 536 V CA -0.050 62.376 62.300 0.210 0.000 1.046 536 V CB -0.504 31.462 31.823 0.237 0.000 0.887 536 V HN 0.181 nan 8.190 nan 0.000 0.441 537 K N 2.014 122.408 120.400 -0.009 0.000 2.020 537 K HA -0.186 4.136 4.320 0.003 0.000 0.212 537 K C 0.054 176.537 176.600 -0.194 0.000 1.050 537 K CA 2.021 58.263 56.287 -0.075 0.000 0.929 537 K CB -0.123 32.335 32.500 -0.070 0.000 0.714 537 K HN 0.548 nan 8.250 nan 0.000 0.443 538 N N 0.727 119.228 118.700 -0.331 0.000 2.609 538 N HA 0.110 4.851 4.740 0.003 0.000 0.268 538 N C -1.394 173.785 175.510 -0.552 0.000 1.106 538 N CA -0.106 52.512 53.050 -0.721 0.000 0.823 538 N CB 1.727 39.293 38.487 -1.535 0.000 1.263 538 N HN 0.137 nan 8.380 nan 0.000 0.533 539 S N 0.728 116.212 115.700 -0.360 0.000 2.561 539 S HA 0.880 5.351 4.470 0.003 0.000 0.282 539 S C -0.142 174.397 174.600 -0.101 0.000 1.123 539 S CA -0.344 57.587 58.200 -0.448 0.000 1.011 539 S CB 0.803 63.306 63.200 -1.162 0.000 1.244 539 S HN 0.474 nan 8.310 nan 0.000 0.503 540 A N 0.121 122.808 122.820 -0.220 0.000 2.313 540 A HA 0.674 4.996 4.320 0.003 0.000 0.323 540 A C 0.245 177.880 177.584 0.085 0.000 1.133 540 A CA -0.402 51.631 52.037 -0.007 0.000 0.847 540 A CB 1.020 20.024 19.000 0.007 0.000 1.308 540 A HN 0.855 nan 8.150 nan 0.000 0.475 541 K N -0.824 119.637 120.400 0.102 0.000 2.354 541 K HA 0.080 4.402 4.320 0.003 0.000 0.194 541 K C 0.638 177.331 176.600 0.156 0.000 1.045 541 K CA 1.191 57.580 56.287 0.170 0.000 1.026 541 K CB 0.204 32.734 32.500 0.049 0.000 0.866 541 K HN 0.464 nan 8.250 nan 0.000 0.530 542 D N 0.681 121.139 120.400 0.096 0.000 2.264 542 D HA -0.089 4.552 4.640 0.003 0.000 0.208 542 D C 0.858 177.237 176.300 0.132 0.000 0.966 542 D CA 0.596 54.653 54.000 0.096 0.000 0.864 542 D CB -0.270 40.570 40.800 0.067 0.000 0.933 542 D HN 0.370 nan 8.370 nan 0.000 0.499 543 C N -0.098 119.294 119.300 0.154 0.000 2.437 543 C HA -0.062 4.399 4.460 0.003 0.000 0.283 543 C C 2.240 177.329 174.990 0.165 0.000 1.424 543 C CA 0.065 59.201 59.018 0.198 0.000 1.782 543 C CB -1.656 26.204 27.740 0.201 0.000 1.833 543 C HN 0.366 nan 8.230 nan 0.000 0.532 544 Y N 0.952 121.313 120.300 0.100 0.000 2.395 544 Y HA 0.071 4.623 4.550 0.003 0.000 0.293 544 Y C -1.357 174.587 175.900 0.073 0.000 1.123 544 Y CA 0.441 58.593 58.100 0.087 0.000 1.227 544 Y CB -0.899 37.593 38.460 0.054 0.000 1.012 544 Y HN 0.197 nan 8.280 nan 0.000 0.552 545 P HA 0.079 nan 4.420 nan 0.000 0.271 545 P C 0.206 177.560 177.300 0.091 0.000 1.226 545 P CA 1.644 64.818 63.100 0.124 0.000 0.765 545 P CB 1.220 32.978 31.700 0.097 0.000 0.835 546 A N 2.725 125.579 122.820 0.057 0.000 3.737 546 A HA -0.202 4.120 4.320 0.003 0.000 0.260 546 A C 1.113 178.682 177.584 -0.025 0.000 1.021 546 A CA 1.610 53.658 52.037 0.019 0.000 1.356 546 A CB -2.438 16.578 19.000 0.027 0.000 1.043 546 A HN 0.378 nan 8.150 nan 0.000 0.877 547 V N 0.872 120.741 119.914 -0.075 0.000 3.605 547 V HA -0.029 4.092 4.120 0.003 0.000 0.284 547 V C 2.179 177.943 176.094 -0.549 0.000 1.386 547 V CA 1.309 63.442 62.300 -0.278 0.000 1.053 547 V CB 0.403 32.062 31.823 -0.275 0.000 0.857 547 V HN 0.869 nan 8.190 nan 0.000 0.436 548 Q N 1.110 120.806 119.800 -0.172 0.000 2.224 548 Q HA -0.203 4.139 4.340 0.003 0.000 0.203 548 Q C 2.010 178.010 176.000 -0.000 0.000 0.970 548 Q CA 1.711 57.559 55.803 0.075 0.000 0.865 548 Q CB -0.396 28.460 28.738 0.197 0.000 0.922 548 Q HN 0.537 nan 8.270 nan 0.000 0.445 549 K N 0.538 120.918 120.400 -0.034 0.000 2.504 549 K HA -0.027 4.295 4.320 0.003 0.000 0.195 549 K C 0.942 177.507 176.600 -0.060 0.000 1.036 549 K CA 1.143 57.410 56.287 -0.032 0.000 0.984 549 K CB 0.203 32.687 32.500 -0.027 0.000 0.788 549 K HN 0.212 nan 8.250 nan 0.000 0.488 550 T N -0.057 114.434 114.554 -0.105 0.000 3.009 550 T HA -0.027 4.325 4.350 0.003 0.000 0.258 550 T C 1.515 176.189 174.700 -0.045 0.000 1.063 550 T CA 1.230 63.278 62.100 -0.087 0.000 1.139 550 T CB 0.058 68.874 68.868 -0.086 0.000 0.890 550 T HN 0.260 nan 8.240 nan 0.000 0.471 551 T N 2.542 117.074 114.554 -0.036 0.000 2.915 551 T HA 0.130 4.481 4.350 0.003 0.000 0.269 551 T C 1.874 176.589 174.700 0.024 0.000 1.071 551 T CA 0.696 62.816 62.100 0.033 0.000 1.132 551 T CB -0.243 68.688 68.868 0.105 0.000 0.878 551 T HN 0.253 nan 8.240 nan 0.000 0.479 552 L N 0.280 121.509 121.223 0.010 0.000 2.034 552 L HA 0.007 4.349 4.340 0.003 0.000 0.203 552 L C 2.671 179.540 176.870 -0.002 0.000 1.074 552 L CA 0.738 55.582 54.840 0.007 0.000 0.748 552 L CB -0.788 41.274 42.059 0.005 0.000 0.905 552 L HN 0.068 nan 8.230 nan 0.000 0.439 553 V N 0.127 120.032 119.914 -0.015 0.000 2.332 553 V HA -0.301 3.820 4.120 0.003 0.000 0.248 553 V C 2.405 178.495 176.094 -0.008 0.000 1.055 553 V CA 1.768 64.058 62.300 -0.018 0.000 1.038 553 V CB -0.312 31.489 31.823 -0.037 0.000 0.651 553 V HN 0.251 nan 8.190 nan 0.000 0.450 554 I N -1.139 119.429 120.570 -0.004 0.000 2.315 554 I HA -0.223 3.948 4.170 0.003 0.000 0.248 554 I C 2.294 178.414 176.117 0.004 0.000 1.117 554 I CA 1.635 62.937 61.300 0.004 0.000 1.404 554 I CB -0.349 37.658 38.000 0.011 0.000 1.071 554 I HN 0.220 nan 8.210 nan 0.000 0.419 555 M N -0.600 119.003 119.600 0.006 0.000 2.175 555 M HA -0.203 4.278 4.480 0.003 0.000 0.264 555 M C 2.272 178.573 176.300 0.000 0.000 1.063 555 M CA 1.554 56.856 55.300 0.005 0.000 1.119 555 M CB -0.298 32.308 32.600 0.010 0.000 1.377 555 M HN 0.231 nan 8.290 nan 0.000 0.415 556 E N 0.422 120.622 120.200 0.000 0.000 2.028 556 E HA -0.219 4.133 4.350 0.003 0.000 0.191 556 E C 2.015 178.615 176.600 0.000 0.000 0.988 556 E CA 1.228 57.627 56.400 -0.002 0.000 0.799 556 E CB -0.146 29.553 29.700 -0.002 0.000 0.755 556 E HN 0.272 nan 8.360 nan 0.000 0.447 557 R N 0.641 121.144 120.500 0.005 0.000 2.091 557 R HA -0.146 4.195 4.340 0.003 0.000 0.238 557 R C 2.532 178.836 176.300 0.007 0.000 1.136 557 R CA 0.936 57.045 56.100 0.014 0.000 0.959 557 R CB -1.098 29.215 30.300 0.023 0.000 0.856 557 R HN 0.292 nan 8.270 nan 0.000 0.437 558 L N 1.492 122.714 121.223 -0.001 0.000 2.017 558 L HA -0.159 4.182 4.340 0.003 0.000 0.208 558 L C 2.203 179.065 176.870 -0.013 0.000 1.073 558 L CA 1.808 56.643 54.840 -0.009 0.000 0.745 558 L CB -0.572 41.481 42.059 -0.010 0.000 0.894 558 L HN 0.072 nan 8.230 nan 0.000 0.432 559 Q N -0.324 119.469 119.800 -0.012 0.000 2.050 559 Q HA -0.273 4.068 4.340 0.003 0.000 0.202 559 Q C 2.165 178.149 176.000 -0.026 0.000 0.980 559 Q CA 2.000 57.793 55.803 -0.017 0.000 0.840 559 Q CB -0.456 28.273 28.738 -0.015 0.000 0.898 559 Q HN 0.710 nan 8.270 nan 0.000 0.424 560 Q N 0.506 120.292 119.800 -0.022 0.000 2.014 560 Q HA -0.160 4.182 4.340 0.003 0.000 0.207 560 Q C 2.013 177.985 176.000 -0.047 0.000 0.993 560 Q CA 2.602 58.385 55.803 -0.033 0.000 0.850 560 Q CB -0.096 28.636 28.738 -0.010 0.000 0.916 560 Q HN 0.360 nan 8.270 nan 0.000 0.417 561 V N -1.375 118.525 119.914 -0.023 0.000 3.078 561 V HA -0.080 4.042 4.120 0.003 0.000 0.265 561 V C 1.870 177.937 176.094 -0.046 0.000 1.122 561 V CA 1.045 63.330 62.300 -0.025 0.000 1.141 561 V CB -0.547 31.282 31.823 0.010 0.000 0.735 561 V HN 0.261 nan 8.190 nan 0.000 0.498 562 L N 0.847 122.045 121.223 -0.042 0.000 2.672 562 L HA 0.186 4.528 4.340 0.003 0.000 0.236 562 L C 2.026 178.876 176.870 -0.033 0.000 1.186 562 L CA 0.880 55.695 54.840 -0.042 0.000 0.977 562 L CB -0.262 41.779 42.059 -0.029 0.000 1.203 562 L HN 0.663 nan 8.230 nan 0.000 0.448 563 Q N -1.349 118.429 119.800 -0.036 0.000 2.506 563 Q HA 0.060 4.401 4.340 0.003 0.000 0.239 563 Q C 1.131 177.206 176.000 0.125 0.000 0.782 563 Q CA -0.206 55.610 55.803 0.021 0.000 0.972 563 Q CB -0.238 28.480 28.738 -0.033 0.000 1.304 563 Q HN 0.349 nan 8.270 nan 0.000 0.534 564 M N 1.350 120.938 119.600 -0.020 0.000 3.201 564 M HA 0.233 4.715 4.480 0.003 0.000 0.194 564 M C 0.046 176.288 176.300 -0.097 0.000 1.313 564 M CA 0.333 55.600 55.300 -0.055 0.000 1.332 564 M CB 0.055 32.316 32.600 -0.565 0.000 1.542 564 M HN 0.043 nan 8.290 nan 0.000 0.428 565 E N 0.914 121.093 120.200 -0.035 0.000 2.045 565 E HA -0.016 4.336 4.350 0.003 0.000 0.190 565 E C 1.811 178.322 176.600 -0.148 0.000 0.968 565 E CA 1.521 57.866 56.400 -0.092 0.000 0.813 565 E CB -0.695 28.950 29.700 -0.093 0.000 0.780 565 E HN 0.715 nan 8.360 nan 0.000 0.455 566 S N 0.593 116.111 115.700 -0.303 0.000 2.720 566 S HA -0.025 4.446 4.470 0.003 0.000 0.222 566 S C 0.160 174.446 174.600 -0.524 0.000 0.958 566 S CA -0.027 57.939 58.200 -0.390 0.000 0.943 566 S CB -0.716 62.236 63.200 -0.413 0.000 0.779 566 S HN 0.229 nan 8.310 nan 0.000 0.526 567 H N 0.549 119.571 119.070 -0.080 0.000 2.429 567 H HA 0.583 5.141 4.556 0.003 0.000 0.237 567 H C -0.608 174.677 175.328 -0.071 0.000 1.378 567 H CA -0.433 55.563 56.048 -0.086 0.000 1.170 567 H CB 0.030 29.708 29.762 -0.141 0.000 1.671 567 H HN 0.326 nan 8.280 nan 0.000 0.541 568 I N 0.692 121.299 120.570 0.062 0.000 2.730 568 I HA 0.156 4.328 4.170 0.003 0.000 0.298 568 I C -0.096 176.089 176.117 0.112 0.000 1.089 568 I CA -0.971 60.416 61.300 0.145 0.000 1.041 568 I CB 2.487 40.569 38.000 0.136 0.000 1.235 568 I HN 0.281 nan 8.210 nan 0.000 0.423 569 Q N 2.122 122.002 119.800 0.133 0.000 2.986 569 Q HA 0.356 4.698 4.340 0.003 0.000 0.310 569 Q C 0.555 176.586 176.000 0.050 0.000 1.148 569 Q CA 0.005 55.854 55.803 0.077 0.000 0.373 569 Q CB -0.114 28.666 28.738 0.068 0.000 5.539 569 Q HN 0.649 nan 8.270 nan 0.000 0.325 570 S N 0.297 116.017 115.700 0.032 0.000 2.477 570 S HA 0.044 4.516 4.470 0.003 0.000 0.261 570 S C 1.122 175.730 174.600 0.013 0.000 1.197 570 S CA -0.013 58.197 58.200 0.016 0.000 1.015 570 S CB -0.033 63.170 63.200 0.005 0.000 1.077 570 S HN 0.571 nan 8.310 nan 0.000 0.505 571 T N 0.364 114.918 114.554 0.001 0.000 3.215 571 T HA 0.084 4.436 4.350 0.003 0.000 0.254 571 T C 1.515 176.203 174.700 -0.020 0.000 1.149 571 T CA 0.812 62.909 62.100 -0.004 0.000 1.042 571 T CB -0.410 68.454 68.868 -0.007 0.000 0.966 571 T HN 0.356 nan 8.240 nan 0.000 0.534 572 S N -0.217 115.465 115.700 -0.031 0.000 2.506 572 S HA 0.083 4.555 4.470 0.003 0.000 0.230 572 S C 1.591 176.134 174.600 -0.094 0.000 1.066 572 S CA 0.223 58.383 58.200 -0.066 0.000 0.940 572 S CB -0.015 63.142 63.200 -0.072 0.000 0.818 572 S HN 0.469 nan 8.310 nan 0.000 0.518 573 D N 0.686 121.049 120.400 -0.062 0.000 2.363 573 D HA 0.075 4.716 4.640 0.003 0.000 0.226 573 D C 1.656 178.015 176.300 0.097 0.000 1.020 573 D CA 0.310 54.271 54.000 -0.065 0.000 0.892 573 D CB 0.099 40.931 40.800 0.053 0.000 0.900 573 D HN 0.311 nan 8.370 nan 0.000 0.531 574 R N 0.172 120.709 120.500 0.061 0.000 2.362 574 R HA 0.105 4.447 4.340 0.003 0.000 0.227 574 R C 1.429 177.757 176.300 0.047 0.000 0.905 574 R CA -0.099 56.051 56.100 0.083 0.000 1.067 574 R CB 0.519 30.851 30.300 0.052 0.000 1.078 574 R HN 0.032 nan 8.270 nan 0.000 0.516 575 I N -0.255 120.316 120.570 0.003 0.000 3.172 575 I HA 0.018 4.189 4.170 0.003 0.000 0.278 575 I C 1.651 177.749 176.117 -0.031 0.000 1.174 575 I CA 0.770 62.061 61.300 -0.015 0.000 1.445 575 I CB -0.213 37.761 38.000 -0.043 0.000 1.175 575 I HN 0.059 nan 8.210 nan 0.000 0.447 576 Q N 0.187 119.928 119.800 -0.098 0.000 2.212 576 Q HA 0.079 4.421 4.340 0.003 0.000 0.199 576 Q C 1.864 177.816 176.000 -0.081 0.000 0.950 576 Q CA 1.253 56.965 55.803 -0.152 0.000 0.863 576 Q CB -0.144 28.421 28.738 -0.289 0.000 0.944 576 Q HN 0.404 nan 8.270 nan 0.000 0.465 577 F N -0.824 119.126 119.950 0.000 0.000 2.780 577 F HA 0.086 4.615 4.527 0.003 0.000 0.299 577 F C 0.869 176.674 175.800 0.007 0.000 1.146 577 F CA 0.133 58.139 58.000 0.010 0.000 1.428 577 F CB 0.332 39.339 39.000 0.012 0.000 1.115 577 F HN 0.136 nan 8.300 nan 0.000 0.583 578 N N -1.158 117.641 118.700 0.164 0.000 2.171 578 N HA -0.013 4.728 4.740 0.003 0.000 0.212 578 N C 0.417 175.970 175.510 0.071 0.000 1.184 578 N CA -0.018 53.088 53.050 0.093 0.000 0.888 578 N CB 0.378 38.901 38.487 0.060 0.000 1.038 578 N HN -0.004 nan 8.380 nan 0.000 0.517 579 D N 0.061 120.509 120.400 0.080 0.000 2.431 579 D HA 0.142 4.784 4.640 0.003 0.000 0.227 579 D C 1.814 178.196 176.300 0.138 0.000 1.030 579 D CA 0.194 54.248 54.000 0.090 0.000 0.897 579 D CB 0.410 41.254 40.800 0.073 0.000 1.058 579 D HN 0.109 nan 8.370 nan 0.000 0.500 580 L N 0.640 121.952 121.223 0.149 0.000 1.994 580 L HA -0.127 4.215 4.340 0.003 0.000 0.208 580 L C 2.261 179.234 176.870 0.172 0.000 1.071 580 L CA 1.238 56.203 54.840 0.208 0.000 0.745 580 L CB -0.221 41.965 42.059 0.212 0.000 0.892 580 L HN 0.001 nan 8.230 nan 0.000 0.431 581 Q N -0.863 119.012 119.800 0.125 0.000 2.482 581 Q HA -0.118 4.224 4.340 0.003 0.000 0.209 581 Q C 2.050 178.066 176.000 0.027 0.000 0.961 581 Q CA 0.429 56.268 55.803 0.059 0.000 0.945 581 Q CB 0.211 28.974 28.738 0.042 0.000 1.012 581 Q HN 0.347 nan 8.270 nan 0.000 0.515 582 S N 0.250 115.980 115.700 0.050 0.000 2.356 582 S HA -0.149 4.322 4.470 0.003 0.000 0.223 582 S C 1.526 176.125 174.600 -0.003 0.000 1.032 582 S CA 1.608 59.825 58.200 0.029 0.000 1.005 582 S CB 0.055 63.289 63.200 0.057 0.000 0.867 582 S HN 0.565 nan 8.310 nan 0.000 0.449 583 L N -1.401 119.810 121.223 -0.021 0.000 2.966 583 L HA 0.550 4.892 4.340 0.003 0.000 0.262 583 L C 1.482 178.250 176.870 -0.171 0.000 1.165 583 L CA 0.479 55.266 54.840 -0.089 0.000 0.978 583 L CB -0.334 41.668 42.059 -0.096 0.000 1.337 583 L HN 0.155 nan 8.230 nan 0.000 0.563 584 L N -0.479 120.655 121.223 -0.148 0.000 2.141 584 L HA -0.157 4.184 4.340 0.003 0.000 0.209 584 L C 2.287 179.099 176.870 -0.097 0.000 1.094 584 L CA 1.118 55.861 54.840 -0.162 0.000 0.763 584 L CB -0.255 41.778 42.059 -0.043 0.000 0.908 584 L HN 0.503 nan 8.230 nan 0.000 0.437 585 C N -0.257 119.003 119.300 -0.065 0.000 2.403 585 C HA -0.189 4.273 4.460 0.003 0.000 0.282 585 C C 2.819 177.779 174.990 -0.051 0.000 1.297 585 C CA 0.778 59.767 59.018 -0.049 0.000 1.785 585 C CB -1.204 26.510 27.740 -0.044 0.000 1.963 585 C HN 0.609 nan 8.230 nan 0.000 0.507 586 A N -0.393 122.386 122.820 -0.069 0.000 2.239 586 A HA -0.047 4.274 4.320 0.003 0.000 0.209 586 A C 1.588 179.133 177.584 -0.065 0.000 1.171 586 A CA 1.136 53.135 52.037 -0.064 0.000 0.768 586 A CB -0.646 18.309 19.000 -0.073 0.000 0.790 586 A HN 0.558 nan 8.150 nan 0.000 0.478 587 T N 0.236 114.747 114.554 -0.072 0.000 3.722 587 T HA 0.185 4.537 4.350 0.003 0.000 0.247 587 T C 0.731 175.414 174.700 -0.028 0.000 1.004 587 T CA 0.577 62.647 62.100 -0.050 0.000 0.947 587 T CB -0.281 68.559 68.868 -0.047 0.000 1.114 587 T HN 0.300 nan 8.240 nan 0.000 0.633 588 L N 0.002 121.208 121.223 -0.027 0.000 3.066 588 L HA 0.256 4.597 4.340 0.003 0.000 0.272 588 L C 1.953 178.813 176.870 -0.017 0.000 1.101 588 L CA 0.774 55.601 54.840 -0.021 0.000 1.022 588 L CB 0.116 42.159 42.059 -0.026 0.000 1.600 588 L HN 0.249 nan 8.230 nan 0.000 0.559 589 Q N -1.117 118.671 119.800 -0.019 0.000 2.019 589 Q HA 0.080 4.422 4.340 0.003 0.000 0.195 589 Q C 0.351 176.348 176.000 -0.006 0.000 0.981 589 Q CA 0.733 56.527 55.803 -0.014 0.000 0.832 589 Q CB -0.470 28.257 28.738 -0.019 0.000 0.902 589 Q HN 0.176 nan 8.270 nan 0.000 0.461 590 N N 1.411 120.106 118.700 -0.009 0.000 2.683 590 N HA 0.026 4.768 4.740 0.003 0.000 0.256 590 N C 0.582 176.098 175.510 0.010 0.000 1.270 590 N CA 0.592 53.641 53.050 -0.003 0.000 0.954 590 N CB 1.052 39.535 38.487 -0.007 0.000 1.289 590 N HN 0.477 nan 8.380 nan 0.000 0.508 591 V N -4.054 115.871 119.914 0.017 0.000 3.177 591 V HA 0.229 4.351 4.120 0.003 0.000 0.220 591 V C 1.128 177.254 176.094 0.054 0.000 1.395 591 V CA 0.025 62.345 62.300 0.033 0.000 1.317 591 V CB 0.111 31.945 31.823 0.019 0.000 1.148 591 V HN 0.030 nan 8.190 nan 0.000 0.499 592 L N 1.020 122.271 121.223 0.046 0.000 2.629 592 L HA 0.370 4.712 4.340 0.003 0.000 0.230 592 L C 2.389 179.305 176.870 0.076 0.000 1.151 592 L CA 0.052 54.932 54.840 0.067 0.000 0.924 592 L CB -0.193 41.893 42.059 0.045 0.000 1.137 592 L HN 0.301 nan 8.230 nan 0.000 0.457 593 R N 1.390 121.924 120.500 0.057 0.000 2.148 593 R HA -0.036 4.305 4.340 0.003 0.000 0.227 593 R C 0.293 176.631 176.300 0.064 0.000 1.103 593 R CA 0.799 56.927 56.100 0.046 0.000 0.983 593 R CB 0.278 30.587 30.300 0.015 0.000 0.874 593 R HN 0.100 nan 8.270 nan 0.000 0.451 594 K N 1.447 121.910 120.400 0.105 0.000 2.257 594 K HA 0.270 4.592 4.320 0.003 0.000 0.270 594 K C -1.066 175.672 176.600 0.229 0.000 1.098 594 K CA -0.364 56.033 56.287 0.183 0.000 0.943 594 K CB 1.581 34.250 32.500 0.282 0.000 1.316 594 K HN -0.150 nan 8.250 nan 0.000 0.447 595 V N 3.722 123.716 119.914 0.133 0.000 2.777 595 V HA 0.123 4.245 4.120 0.003 0.000 0.306 595 V C -0.534 175.603 176.094 0.072 0.000 1.112 595 V CA -1.067 61.326 62.300 0.155 0.000 0.917 595 V CB 2.342 34.299 31.823 0.223 0.000 1.018 595 V HN 0.596 nan 8.190 nan 0.000 0.426 596 Q N 4.123 123.947 119.800 0.039 0.000 2.361 596 Q HA 0.286 4.627 4.340 0.003 0.000 0.250 596 Q C 0.350 176.430 176.000 0.133 0.000 1.023 596 Q CA -0.136 55.667 55.803 0.001 0.000 0.915 596 Q CB 0.220 28.923 28.738 -0.058 0.000 1.238 596 Q HN 0.871 nan 8.270 nan 0.000 0.451 597 H N 1.505 120.558 119.070 -0.027 0.000 2.567 597 H HA -0.024 4.534 4.556 0.003 0.000 0.276 597 H C 0.211 175.538 175.328 -0.003 0.000 1.016 597 H CA 0.198 56.241 56.048 -0.009 0.000 1.186 597 H CB 0.775 30.531 29.762 -0.010 0.000 1.351 597 H HN 0.534 nan 8.280 nan 0.000 0.605 598 Q N 0.719 120.578 119.800 0.097 0.000 2.204 598 Q HA -0.002 4.339 4.340 0.003 0.000 0.209 598 Q C 0.442 176.464 176.000 0.038 0.000 0.861 598 Q CA 0.297 56.131 55.803 0.052 0.000 0.971 598 Q CB 0.568 29.327 28.738 0.037 0.000 1.095 598 Q HN 0.749 nan 8.270 nan 0.000 0.486 599 D N -3.197 117.228 120.400 0.042 0.000 2.410 599 D HA 0.085 4.727 4.640 0.003 0.000 0.275 599 D C 1.154 177.469 176.300 0.025 0.000 1.152 599 D CA 0.420 54.441 54.000 0.035 0.000 0.825 599 D CB -0.506 40.323 40.800 0.047 0.000 1.312 599 D HN -0.037 nan 8.370 nan 0.000 0.532 600 A N 0.722 123.549 122.820 0.012 0.000 2.125 600 A HA 0.022 4.343 4.320 0.003 0.000 0.219 600 A C 1.826 179.389 177.584 -0.034 0.000 1.156 600 A CA 0.798 52.820 52.037 -0.025 0.000 0.671 600 A CB -0.582 18.352 19.000 -0.109 0.000 0.794 600 A HN 0.185 nan 8.150 nan 0.000 0.459 601 L N -0.681 120.529 121.223 -0.023 0.000 1.951 601 L HA -0.281 4.060 4.340 0.003 0.000 0.222 601 L C 2.696 179.570 176.870 0.007 0.000 1.078 601 L CA 2.481 57.315 54.840 -0.010 0.000 0.778 601 L CB -1.213 40.846 42.059 0.001 0.000 0.893 601 L HN 0.355 nan 8.230 nan 0.000 0.436 602 Q N -1.152 118.656 119.800 0.014 0.000 2.062 602 Q HA 0.038 4.380 4.340 0.003 0.000 0.196 602 Q C 2.295 178.308 176.000 0.022 0.000 0.967 602 Q CA 1.034 56.850 55.803 0.022 0.000 0.832 602 Q CB -0.247 28.504 28.738 0.021 0.000 0.899 602 Q HN 0.402 nan 8.270 nan 0.000 0.442 603 I N -0.048 120.534 120.570 0.019 0.000 2.145 603 I HA -0.371 3.800 4.170 0.003 0.000 0.244 603 I C 2.348 178.469 176.117 0.008 0.000 1.075 603 I CA 1.560 62.871 61.300 0.019 0.000 1.332 603 I CB -0.481 37.536 38.000 0.029 0.000 1.033 603 I HN 0.203 nan 8.210 nan 0.000 0.410 604 S N 0.090 115.790 115.700 0.000 0.000 2.368 604 S HA -0.194 4.278 4.470 0.003 0.000 0.224 604 S C 1.742 176.336 174.600 -0.010 0.000 1.029 604 S CA 1.459 59.651 58.200 -0.013 0.000 0.988 604 S CB -0.226 62.958 63.200 -0.026 0.000 0.838 604 S HN 0.354 nan 8.310 nan 0.000 0.462 605 D N 0.817 121.234 120.400 0.028 0.000 2.097 605 D HA -0.069 4.572 4.640 0.003 0.000 0.195 605 D C 2.066 178.396 176.300 0.050 0.000 0.989 605 D CA 1.220 55.270 54.000 0.082 0.000 0.827 605 D CB -0.532 40.337 40.800 0.115 0.000 0.966 605 D HN 0.277 nan 8.370 nan 0.000 0.456 606 V N 0.552 120.486 119.914 0.032 0.000 2.469 606 V HA -0.208 3.914 4.120 0.003 0.000 0.251 606 V C 2.564 178.652 176.094 -0.010 0.000 1.064 606 V CA 1.005 63.317 62.300 0.021 0.000 1.066 606 V CB -0.371 31.463 31.823 0.018 0.000 0.667 606 V HN 0.058 nan 8.190 nan 0.000 0.461 607 V N -0.724 119.172 119.914 -0.031 0.000 2.302 607 V HA -0.235 3.886 4.120 0.003 0.000 0.243 607 V C 2.316 178.345 176.094 -0.108 0.000 1.036 607 V CA 2.136 64.404 62.300 -0.052 0.000 1.020 607 V CB -0.589 31.208 31.823 -0.043 0.000 0.657 607 V HN 0.571 nan 8.190 nan 0.000 0.453 608 M N 1.560 121.046 119.600 -0.190 0.000 2.108 608 M HA -0.126 4.356 4.480 0.003 0.000 0.261 608 M C 2.004 178.041 176.300 -0.438 0.000 1.066 608 M CA 2.239 57.309 55.300 -0.383 0.000 1.107 608 M CB -0.944 31.277 32.600 -0.631 0.000 1.356 608 M HN 0.250 nan 8.290 nan 0.000 0.406 609 A N -1.308 121.335 122.820 -0.296 0.000 1.940 609 A HA -0.167 4.155 4.320 0.003 0.000 0.219 609 A C 2.378 179.943 177.584 -0.032 0.000 1.176 609 A CA 2.245 54.243 52.037 -0.065 0.000 0.631 609 A CB -1.389 17.672 19.000 0.102 0.000 0.814 609 A HN 0.627 nan 8.150 nan 0.000 0.446 610 S N -0.568 115.109 115.700 -0.039 0.000 2.368 610 S HA -0.081 4.391 4.470 0.003 0.000 0.225 610 S C 1.928 176.527 174.600 -0.002 0.000 1.030 610 S CA 1.327 59.520 58.200 -0.013 0.000 0.999 610 S CB -0.489 62.701 63.200 -0.016 0.000 0.844 610 S HN 0.501 nan 8.310 nan 0.000 0.459 611 L N 0.895 122.107 121.223 -0.020 0.000 2.046 611 L HA -0.094 4.248 4.340 0.003 0.000 0.208 611 L C 2.533 179.499 176.870 0.160 0.000 1.077 611 L CA 1.124 56.003 54.840 0.066 0.000 0.747 611 L CB -0.518 41.554 42.059 0.021 0.000 0.896 611 L HN 0.371 nan 8.230 nan 0.000 0.432 612 L N -0.205 121.033 121.223 0.025 0.000 1.989 612 L HA -0.272 4.069 4.340 0.003 0.000 0.211 612 L C 2.933 179.854 176.870 0.085 0.000 1.071 612 L CA 1.487 56.357 54.840 0.051 0.000 0.749 612 L CB -0.276 41.815 42.059 0.053 0.000 0.890 612 L HN 0.242 nan 8.230 nan 0.000 0.431 613 R N -0.606 119.936 120.500 0.071 0.000 2.120 613 R HA -0.216 4.126 4.340 0.003 0.000 0.234 613 R C 2.316 178.641 176.300 0.041 0.000 1.123 613 R CA 1.363 57.502 56.100 0.066 0.000 0.975 613 R CB -0.168 30.165 30.300 0.055 0.000 0.866 613 R HN 0.345 nan 8.270 nan 0.000 0.446 614 M N 0.102 119.720 119.600 0.030 0.000 2.065 614 M HA -0.199 4.283 4.480 0.003 0.000 0.259 614 M C 1.571 177.805 176.300 -0.110 0.000 1.069 614 M CA 1.809 57.088 55.300 -0.036 0.000 1.110 614 M CB -0.656 31.913 32.600 -0.052 0.000 1.328 614 M HN 0.112 nan 8.290 nan 0.000 0.405 615 F N 1.198 120.996 119.950 -0.254 0.000 2.091 615 F HA -0.304 4.224 4.527 0.003 0.000 0.299 615 F C 2.740 178.295 175.800 -0.409 0.000 1.103 615 F CA 1.809 59.484 58.000 -0.542 0.000 1.228 615 F CB -0.805 37.527 39.000 -1.113 0.000 0.984 615 F HN 0.298 nan 8.300 nan 0.000 0.477 616 Q N -0.933 118.860 119.800 -0.012 0.000 2.061 616 Q HA -0.189 4.153 4.340 0.003 0.000 0.204 616 Q C 2.370 178.449 176.000 0.131 0.000 0.984 616 Q CA 1.845 57.774 55.803 0.210 0.000 0.846 616 Q CB -0.955 27.897 28.738 0.190 0.000 0.902 616 Q HN 0.320 nan 8.270 nan 0.000 0.421 617 S N -0.883 114.844 115.700 0.044 0.000 2.556 617 S HA 0.028 4.500 4.470 0.003 0.000 0.216 617 S C 1.434 176.010 174.600 -0.039 0.000 0.970 617 S CA 0.573 58.775 58.200 0.003 0.000 0.912 617 S CB 0.215 63.408 63.200 -0.011 0.000 0.790 617 S HN 0.332 nan 8.310 nan 0.000 0.504 618 T N 0.204 114.728 114.554 -0.050 0.000 3.019 618 T HA 0.649 5.000 4.350 0.003 0.000 0.247 618 T C 0.292 174.972 174.700 -0.033 0.000 0.992 618 T CA 0.604 62.655 62.100 -0.082 0.000 1.036 618 T CB 0.351 69.121 68.868 -0.164 0.000 1.063 618 T HN 0.370 nan 8.240 nan 0.000 0.476 619 A N -0.612 122.227 122.820 0.031 0.000 2.387 619 A HA 0.724 5.046 4.320 0.003 0.000 0.303 619 A C 1.136 178.959 177.584 0.398 0.000 1.145 619 A CA -0.065 52.082 52.037 0.184 0.000 0.801 619 A CB 0.909 20.044 19.000 0.225 0.000 1.342 619 A HN 0.254 nan 8.150 nan 0.000 0.440 620 G N -0.461 108.528 108.800 0.314 0.000 2.920 620 G HA2 0.106 4.068 3.960 0.003 0.000 0.208 620 G HA3 0.106 4.068 3.960 0.003 0.000 0.208 620 G C 1.142 176.095 174.900 0.088 0.000 1.159 620 G CA 1.083 46.296 45.100 0.189 0.000 0.784 620 G HN 0.663 nan 8.290 nan 0.000 0.535 621 S N -0.474 115.270 115.700 0.073 0.000 2.507 621 S HA 0.082 4.553 4.470 0.003 0.000 0.235 621 S C 2.062 176.673 174.600 0.017 0.000 0.988 621 S CA 1.507 59.727 58.200 0.033 0.000 0.944 621 S CB 0.028 63.243 63.200 0.025 0.000 0.762 621 S HN 0.536 nan 8.310 nan 0.000 0.526 622 G N -0.577 108.233 108.800 0.016 0.000 2.831 622 G HA2 0.443 4.405 3.960 0.003 0.000 0.200 622 G HA3 0.443 4.405 3.960 0.003 0.000 0.200 622 G C 0.633 175.524 174.900 -0.015 0.000 1.130 622 G CA 0.401 45.496 45.100 -0.008 0.000 0.678 622 G HN 0.539 nan 8.290 nan 0.000 0.795 623 G N 0.013 108.802 108.800 -0.019 0.000 2.485 623 G HA2 0.422 4.384 3.960 0.003 0.000 0.260 623 G HA3 0.422 4.384 3.960 0.003 0.000 0.260 623 G C -0.392 174.530 174.900 0.038 0.000 1.459 623 G CA -0.036 45.045 45.100 -0.031 0.000 1.060 623 G HN 0.306 nan 8.290 nan 0.000 0.546 624 V N 0.601 120.560 119.914 0.075 0.000 2.743 624 V HA 0.410 4.532 4.120 0.003 0.000 0.301 624 V C 0.332 176.436 176.094 0.017 0.000 1.057 624 V CA -0.395 61.942 62.300 0.062 0.000 1.006 624 V CB 1.205 33.175 31.823 0.245 0.000 1.024 624 V HN 0.916 nan 8.190 nan 0.000 0.473 625 Q N 1.721 121.500 119.800 -0.036 0.000 2.445 625 Q HA 0.500 4.842 4.340 0.003 0.000 0.281 625 Q C 0.762 176.763 176.000 0.002 0.000 1.101 625 Q CA -0.689 55.098 55.803 -0.027 0.000 0.833 625 Q CB 1.950 30.653 28.738 -0.059 0.000 1.416 625 Q HN 0.654 nan 8.270 nan 0.000 0.451 626 E N 0.813 121.006 120.200 -0.010 0.000 2.012 626 E HA -0.304 4.048 4.350 0.003 0.000 0.197 626 E C 1.024 177.632 176.600 0.012 0.000 1.007 626 E CA 2.106 58.505 56.400 -0.001 0.000 0.816 626 E CB -0.128 29.548 29.700 -0.040 0.000 0.762 626 E HN 0.852 nan 8.360 nan 0.000 0.451 627 D N -0.351 120.042 120.400 -0.013 0.000 2.221 627 D HA -0.123 4.519 4.640 0.003 0.000 0.204 627 D C 1.649 177.950 176.300 0.002 0.000 0.982 627 D CA 1.274 55.267 54.000 -0.013 0.000 0.857 627 D CB -0.135 40.647 40.800 -0.030 0.000 0.934 627 D HN 0.318 nan 8.370 nan 0.000 0.475 628 A N -0.207 122.609 122.820 -0.007 0.000 1.929 628 A HA -0.017 4.305 4.320 0.003 0.000 0.216 628 A C 2.388 180.131 177.584 0.264 0.000 1.176 628 A CA 0.712 52.752 52.037 0.006 0.000 0.628 628 A CB -0.562 18.262 19.000 -0.293 0.000 0.816 628 A HN 0.338 nan 8.150 nan 0.000 0.444 629 L N -1.133 120.254 121.223 0.273 0.000 2.217 629 L HA -0.086 4.256 4.340 0.003 0.000 0.211 629 L C 2.626 179.578 176.870 0.137 0.000 1.107 629 L CA 0.900 55.922 54.840 0.302 0.000 0.783 629 L CB -0.433 41.780 42.059 0.256 0.000 0.919 629 L HN 0.403 nan 8.230 nan 0.000 0.442 630 M N -0.698 118.950 119.600 0.081 0.000 2.394 630 M HA -0.104 4.378 4.480 0.003 0.000 0.264 630 M C 2.403 178.709 176.300 0.010 0.000 1.073 630 M CA 1.378 56.695 55.300 0.028 0.000 1.111 630 M CB -0.339 32.268 32.600 0.012 0.000 1.401 630 M HN 0.287 nan 8.290 nan 0.000 0.448 631 A N -0.103 122.737 122.820 0.034 0.000 1.897 631 A HA -0.049 4.273 4.320 0.003 0.000 0.215 631 A C 2.207 179.777 177.584 -0.024 0.000 1.181 631 A CA 1.180 53.225 52.037 0.013 0.000 0.620 631 A CB -0.722 18.301 19.000 0.038 0.000 0.821 631 A HN 0.260 nan 8.150 nan 0.000 0.443 632 V N 0.021 119.923 119.914 -0.021 0.000 2.307 632 V HA -0.211 3.911 4.120 0.003 0.000 0.245 632 V C 2.780 178.732 176.094 -0.237 0.000 1.045 632 V CA 2.251 64.430 62.300 -0.201 0.000 1.024 632 V CB -0.934 30.642 31.823 -0.413 0.000 0.651 632 V HN 0.549 nan 8.190 nan 0.000 0.449 633 S N 0.064 115.670 115.700 -0.156 0.000 2.368 633 S HA -0.280 4.191 4.470 0.003 0.000 0.226 633 S C 2.082 176.592 174.600 -0.150 0.000 1.044 633 S CA 2.237 60.342 58.200 -0.159 0.000 1.062 633 S CB -0.651 62.505 63.200 -0.073 0.000 0.931 633 S HN 0.692 nan 8.310 nan 0.000 0.440 634 T N 2.097 116.592 114.554 -0.098 0.000 2.699 634 T HA -0.073 4.278 4.350 0.003 0.000 0.268 634 T C 1.626 176.271 174.700 -0.091 0.000 1.036 634 T CA 1.144 63.199 62.100 -0.075 0.000 1.147 634 T CB -0.337 68.502 68.868 -0.048 0.000 0.862 634 T HN 0.100 nan 8.240 nan 0.000 0.446 635 L N 0.540 121.695 121.223 -0.114 0.000 2.240 635 L HA 0.107 4.449 4.340 0.003 0.000 0.211 635 L C 2.425 179.215 176.870 -0.133 0.000 1.106 635 L CA 0.795 55.573 54.840 -0.103 0.000 0.793 635 L CB -0.583 41.416 42.059 -0.100 0.000 0.927 635 L HN 0.114 nan 8.230 nan 0.000 0.446 636 V N -0.606 119.140 119.914 -0.280 0.000 2.490 636 V HA -0.283 3.839 4.120 0.003 0.000 0.250 636 V C 2.286 178.236 176.094 -0.240 0.000 1.061 636 V CA 1.650 63.668 62.300 -0.471 0.000 1.064 636 V CB -0.454 30.942 31.823 -0.712 0.000 0.670 636 V HN 0.488 nan 8.190 nan 0.000 0.461 637 E N -0.371 119.733 120.200 -0.160 0.000 2.072 637 E HA -0.120 4.232 4.350 0.003 0.000 0.190 637 E C 2.209 178.777 176.600 -0.053 0.000 0.982 637 E CA 1.177 57.524 56.400 -0.090 0.000 0.803 637 E CB -0.155 29.505 29.700 -0.066 0.000 0.755 637 E HN 0.437 nan 8.360 nan 0.000 0.453 638 V N 1.424 121.306 119.914 -0.053 0.000 2.229 638 V HA -0.250 3.872 4.120 0.003 0.000 0.243 638 V C 2.328 178.390 176.094 -0.054 0.000 1.042 638 V CA 1.545 63.817 62.300 -0.047 0.000 1.000 638 V CB -0.522 31.274 31.823 -0.045 0.000 0.637 638 V HN 0.252 nan 8.190 nan 0.000 0.446 639 L N -0.265 120.946 121.223 -0.019 0.000 2.127 639 L HA -0.003 4.338 4.340 0.003 0.000 0.211 639 L C 1.816 178.710 176.870 0.040 0.000 1.089 639 L CA 1.271 56.130 54.840 0.032 0.000 0.757 639 L CB -1.135 41.006 42.059 0.136 0.000 0.899 639 L HN 0.657 nan 8.230 nan 0.000 0.434 640 G N -0.272 108.541 108.800 0.022 0.000 2.561 640 G HA2 -0.375 3.587 3.960 0.003 0.000 0.289 640 G HA3 -0.375 3.587 3.960 0.003 0.000 0.289 640 G C 0.842 175.787 174.900 0.075 0.000 1.169 640 G CA 0.082 45.196 45.100 0.023 0.000 0.980 640 G HN 0.386 nan 8.290 nan 0.000 0.550 641 G N -0.159 108.682 108.800 0.067 0.000 2.509 641 G HA2 0.183 4.145 3.960 0.003 0.000 0.218 641 G HA3 0.183 4.145 3.960 0.003 0.000 0.218 641 G C 1.301 176.265 174.900 0.106 0.000 1.124 641 G CA 1.572 46.724 45.100 0.087 0.000 0.776 641 G HN 0.806 nan 8.290 nan 0.000 0.547 642 E N -0.391 119.870 120.200 0.102 0.000 2.511 642 E HA 0.061 4.412 4.350 0.003 0.000 0.196 642 E C 1.550 178.236 176.600 0.144 0.000 1.066 642 E CA -0.133 56.320 56.400 0.089 0.000 0.871 642 E CB -0.327 29.414 29.700 0.068 0.000 0.863 642 E HN 0.449 nan 8.360 nan 0.000 0.520 643 F N -0.111 119.871 119.950 0.054 0.000 2.456 643 F HA -0.036 4.493 4.527 0.003 0.000 0.298 643 F C 1.597 177.446 175.800 0.083 0.000 1.104 643 F CA 0.428 58.491 58.000 0.106 0.000 1.435 643 F CB 0.049 39.056 39.000 0.012 0.000 1.078 643 F HN 0.145 nan 8.300 nan 0.000 0.546 644 L N 1.363 122.635 121.223 0.082 0.000 2.197 644 L HA -0.263 4.079 4.340 0.003 0.000 0.215 644 L C 2.487 179.248 176.870 -0.182 0.000 1.095 644 L CA 1.783 56.617 54.840 -0.010 0.000 0.764 644 L CB -1.007 41.096 42.059 0.073 0.000 0.897 644 L HN 0.110 nan 8.230 nan 0.000 0.436 645 K N -0.770 119.463 120.400 -0.280 0.000 2.103 645 K HA -0.235 4.086 4.320 0.003 0.000 0.207 645 K C 1.818 178.072 176.600 -0.577 0.000 1.048 645 K CA 2.144 58.160 56.287 -0.453 0.000 0.930 645 K CB -0.340 31.771 32.500 -0.649 0.000 0.716 645 K HN 0.546 nan 8.250 nan 0.000 0.444 646 Y N -0.814 119.192 120.300 -0.490 0.000 2.497 646 Y HA 0.024 4.575 4.550 0.003 0.000 0.265 646 Y C 2.130 177.765 175.900 -0.443 0.000 1.111 646 Y CA 0.218 58.023 58.100 -0.492 0.000 1.288 646 Y CB -0.201 37.852 38.460 -0.678 0.000 1.082 646 Y HN -0.058 nan 8.280 nan 0.000 0.536 647 M N 1.484 120.820 119.600 -0.439 0.000 2.113 647 M HA -0.291 4.191 4.480 0.003 0.000 0.255 647 M C 2.084 178.262 176.300 -0.204 0.000 1.073 647 M CA 2.085 57.204 55.300 -0.302 0.000 1.091 647 M CB -0.388 31.900 32.600 -0.519 0.000 1.309 647 M HN 0.227 nan 8.290 nan 0.000 0.407 648 E N -0.378 119.757 120.200 -0.109 0.000 2.085 648 E HA -0.105 4.247 4.350 0.003 0.000 0.194 648 E C 1.825 178.474 176.600 0.082 0.000 0.994 648 E CA 2.062 58.517 56.400 0.093 0.000 0.801 648 E CB -0.576 29.226 29.700 0.170 0.000 0.743 648 E HN 0.576 nan 8.360 nan 0.000 0.453 649 A N -0.726 122.143 122.820 0.082 0.000 2.014 649 A HA -0.050 4.272 4.320 0.003 0.000 0.218 649 A C 2.013 179.747 177.584 0.250 0.000 1.163 649 A CA 1.158 53.280 52.037 0.141 0.000 0.652 649 A CB -0.634 18.452 19.000 0.144 0.000 0.808 649 A HN 0.457 nan 8.150 nan 0.000 0.449 650 F N 0.185 120.182 119.950 0.079 0.000 2.698 650 F HA 0.165 4.694 4.527 0.003 0.000 0.295 650 F C 1.881 177.762 175.800 0.136 0.000 1.124 650 F CA 0.777 58.867 58.000 0.150 0.000 1.426 650 F CB -0.002 38.996 39.000 -0.004 0.000 1.120 650 F HN 0.161 nan 8.300 nan 0.000 0.583 651 K N 1.305 121.713 120.400 0.014 0.000 2.052 651 K HA -0.219 4.103 4.320 0.003 0.000 0.215 651 K C -0.785 175.692 176.600 -0.204 0.000 1.053 651 K CA 2.381 58.629 56.287 -0.065 0.000 0.934 651 K CB -1.515 31.012 32.500 0.045 0.000 0.717 651 K HN 0.171 nan 8.250 nan 0.000 0.450 652 P HA -0.155 nan 4.420 nan 0.000 0.216 652 P C 1.024 178.038 177.300 -0.477 0.000 1.153 652 P CA 1.564 64.421 63.100 -0.405 0.000 0.858 652 P CB -0.141 31.195 31.700 -0.606 0.000 0.789 653 F N -1.143 118.576 119.950 -0.385 0.000 2.206 653 F HA -0.062 4.466 4.527 0.003 0.000 0.298 653 F C 2.306 177.857 175.800 -0.417 0.000 1.090 653 F CA 0.654 58.422 58.000 -0.386 0.000 1.323 653 F CB -1.307 37.386 39.000 -0.512 0.000 1.028 653 F HN -0.146 nan 8.300 nan 0.000 0.492 654 L N 0.335 121.274 121.223 -0.474 0.000 2.353 654 L HA -0.059 4.282 4.340 0.003 0.000 0.220 654 L C 2.012 178.852 176.870 -0.050 0.000 1.133 654 L CA 1.675 56.400 54.840 -0.192 0.000 0.798 654 L CB -1.258 40.751 42.059 -0.084 0.000 0.922 654 L HN 0.289 nan 8.230 nan 0.000 0.445 655 G N 0.576 109.326 108.800 -0.083 0.000 2.447 655 G HA2 -0.201 3.760 3.960 0.003 0.000 0.211 655 G HA3 -0.201 3.760 3.960 0.003 0.000 0.211 655 G C 1.474 176.365 174.900 -0.015 0.000 1.184 655 G CA 0.580 45.660 45.100 -0.035 0.000 0.813 655 G HN 0.497 nan 8.290 nan 0.000 0.540 656 I N 0.562 121.112 120.570 -0.033 0.000 2.567 656 I HA 0.149 4.321 4.170 0.003 0.000 0.257 656 I C 2.290 178.427 176.117 0.032 0.000 1.184 656 I CA 1.795 63.092 61.300 -0.006 0.000 1.451 656 I CB -0.339 37.661 38.000 -0.000 0.000 1.089 656 I HN 0.027 nan 8.210 nan 0.000 0.441 657 G N 0.940 109.777 108.800 0.061 0.000 2.430 657 G HA2 -0.003 3.958 3.960 0.003 0.000 0.216 657 G HA3 -0.003 3.958 3.960 0.003 0.000 0.216 657 G C 1.570 176.520 174.900 0.083 0.000 1.146 657 G CA 0.690 45.844 45.100 0.089 0.000 0.793 657 G HN 0.462 nan 8.290 nan 0.000 0.537 658 L N -0.194 121.075 121.223 0.077 0.000 2.127 658 L HA 0.089 4.431 4.340 0.003 0.000 0.203 658 L C 2.895 179.832 176.870 0.112 0.000 1.080 658 L CA 0.791 55.692 54.840 0.101 0.000 0.768 658 L CB -0.218 41.899 42.059 0.096 0.000 0.924 658 L HN 0.117 nan 8.230 nan 0.000 0.444 659 K N 0.021 120.459 120.400 0.063 0.000 2.057 659 K HA -0.141 4.181 4.320 0.003 0.000 0.207 659 K C 1.063 177.605 176.600 -0.096 0.000 1.049 659 K CA 0.548 56.852 56.287 0.028 0.000 0.931 659 K CB -0.370 32.123 32.500 -0.011 0.000 0.714 659 K HN 0.239 nan 8.250 nan 0.000 0.440 660 N N 1.034 119.686 118.700 -0.079 0.000 2.406 660 N HA -0.102 4.640 4.740 0.003 0.000 0.274 660 N C -0.301 175.192 175.510 -0.029 0.000 1.249 660 N CA 0.214 53.185 53.050 -0.132 0.000 0.951 660 N CB 0.350 38.809 38.487 -0.047 0.000 1.241 660 N HN 0.191 nan 8.380 nan 0.000 0.485 661 Y N 2.405 122.751 120.300 0.076 0.000 2.500 661 Y HA 0.487 5.038 4.550 0.003 0.000 0.246 661 Y C 1.679 177.654 175.900 0.125 0.000 1.146 661 Y CA -0.284 57.880 58.100 0.106 0.000 1.230 661 Y CB -0.629 37.894 38.460 0.104 0.000 1.214 661 Y HN 0.402 nan 8.280 nan 0.000 0.526 662 A N 1.485 124.410 122.820 0.175 0.000 1.865 662 A HA -0.154 4.168 4.320 0.003 0.000 0.217 662 A C 1.211 178.905 177.584 0.183 0.000 1.191 662 A CA 1.404 53.556 52.037 0.191 0.000 0.623 662 A CB -0.678 18.359 19.000 0.061 0.000 0.826 662 A HN 0.545 nan 8.150 nan 0.000 0.444 663 E N 0.531 120.788 120.200 0.095 0.000 1.979 663 E HA 0.187 4.539 4.350 0.003 0.000 0.285 663 E C 0.348 176.950 176.600 0.004 0.000 1.188 663 E CA -0.235 56.180 56.400 0.025 0.000 1.214 663 E CB -0.236 29.450 29.700 -0.024 0.000 1.210 663 E HN 0.815 nan 8.360 nan 0.000 0.477 664 Y N 0.627 120.939 120.300 0.021 0.000 2.298 664 Y HA -0.279 4.273 4.550 0.003 0.000 0.287 664 Y C 1.909 177.798 175.900 -0.018 0.000 1.164 664 Y CA 0.942 59.054 58.100 0.021 0.000 1.229 664 Y CB -0.150 38.293 38.460 -0.028 0.000 0.977 664 Y HN 0.210 nan 8.280 nan 0.000 0.538 665 Q N 0.935 120.240 119.800 -0.825 0.000 2.135 665 Q HA -0.134 4.208 4.340 0.003 0.000 0.204 665 Q C 2.466 178.347 176.000 -0.198 0.000 0.981 665 Q CA 1.763 57.223 55.803 -0.572 0.000 0.856 665 Q CB -0.502 27.918 28.738 -0.530 0.000 0.902 665 Q HN 0.602 nan 8.270 nan 0.000 0.425 666 V N -0.271 119.572 119.914 -0.117 0.000 2.283 666 V HA -0.241 3.880 4.120 0.003 0.000 0.243 666 V C 2.492 178.610 176.094 0.039 0.000 1.039 666 V CA 1.577 63.867 62.300 -0.017 0.000 1.016 666 V CB -0.795 31.030 31.823 0.004 0.000 0.650 666 V HN 0.462 nan 8.190 nan 0.000 0.449 667 C N -0.319 119.024 119.300 0.071 0.000 2.413 667 C HA -0.170 4.292 4.460 0.003 0.000 0.277 667 C C 2.624 177.681 174.990 0.112 0.000 1.265 667 C CA 1.232 60.322 59.018 0.120 0.000 1.752 667 C CB -1.107 26.746 27.740 0.188 0.000 1.998 667 C HN 0.538 nan 8.230 nan 0.000 0.489 668 L N 1.517 122.799 121.223 0.099 0.000 1.994 668 L HA -0.011 4.331 4.340 0.003 0.000 0.208 668 L C 2.833 179.744 176.870 0.069 0.000 1.071 668 L CA 2.443 57.340 54.840 0.096 0.000 0.745 668 L CB -0.910 41.205 42.059 0.095 0.000 0.892 668 L HN 0.373 nan 8.230 nan 0.000 0.431 669 A N -1.112 121.738 122.820 0.051 0.000 1.972 669 A HA -0.137 4.185 4.320 0.003 0.000 0.219 669 A C 2.406 180.036 177.584 0.076 0.000 1.169 669 A CA 1.721 53.790 52.037 0.053 0.000 0.635 669 A CB -0.937 18.090 19.000 0.045 0.000 0.810 669 A HN 0.482 nan 8.150 nan 0.000 0.446 670 A N -0.558 122.319 122.820 0.094 0.000 1.873 670 A HA 0.024 4.345 4.320 0.003 0.000 0.215 670 A C 2.193 179.835 177.584 0.098 0.000 1.186 670 A CA 1.651 53.757 52.037 0.114 0.000 0.616 670 A CB -0.954 18.117 19.000 0.118 0.000 0.823 670 A HN 0.388 nan 8.150 nan 0.000 0.442 671 V N 0.089 120.057 119.914 0.091 0.000 2.392 671 V HA -0.206 3.915 4.120 0.003 0.000 0.249 671 V C 2.746 178.879 176.094 0.064 0.000 1.059 671 V CA 1.984 64.334 62.300 0.083 0.000 1.051 671 V CB -1.365 30.504 31.823 0.076 0.000 0.658 671 V HN 0.627 nan 8.190 nan 0.000 0.455 672 G N -0.988 107.845 108.800 0.054 0.000 2.422 672 G HA2 -0.179 3.783 3.960 0.003 0.000 0.218 672 G HA3 -0.179 3.783 3.960 0.003 0.000 0.218 672 G C 1.610 176.521 174.900 0.019 0.000 1.140 672 G CA 0.650 45.770 45.100 0.034 0.000 0.775 672 G HN 0.442 nan 8.290 nan 0.000 0.545 673 L N 0.565 121.807 121.223 0.032 0.000 2.017 673 L HA -0.093 4.248 4.340 0.003 0.000 0.208 673 L C 2.960 179.828 176.870 -0.003 0.000 1.073 673 L CA 0.998 55.842 54.840 0.007 0.000 0.745 673 L CB -0.243 41.856 42.059 0.067 0.000 0.894 673 L HN 0.133 nan 8.230 nan 0.000 0.432 674 V N 0.110 120.050 119.914 0.043 0.000 2.453 674 V HA -0.269 3.853 4.120 0.003 0.000 0.252 674 V C 2.611 178.722 176.094 0.029 0.000 1.068 674 V CA 1.848 64.178 62.300 0.051 0.000 1.070 674 V CB -1.447 30.427 31.823 0.086 0.000 0.664 674 V HN 0.664 nan 8.190 nan 0.000 0.461 675 G N -0.346 108.468 108.800 0.023 0.000 2.421 675 G HA2 -0.237 3.725 3.960 0.003 0.000 0.216 675 G HA3 -0.237 3.725 3.960 0.003 0.000 0.216 675 G C 1.281 176.169 174.900 -0.019 0.000 1.171 675 G CA 0.990 46.097 45.100 0.012 0.000 0.775 675 G HN 0.518 nan 8.290 nan 0.000 0.543 676 D N 0.467 120.837 120.400 -0.051 0.000 2.178 676 D HA -0.031 4.610 4.640 0.003 0.000 0.202 676 D C 2.617 178.837 176.300 -0.133 0.000 0.974 676 D CA 0.399 54.341 54.000 -0.096 0.000 0.841 676 D CB -0.029 40.691 40.800 -0.135 0.000 0.953 676 D HN 0.284 nan 8.370 nan 0.000 0.478 677 L N 0.406 121.548 121.223 -0.136 0.000 2.201 677 L HA -0.141 4.201 4.340 0.003 0.000 0.212 677 L C 2.603 179.455 176.870 -0.029 0.000 1.105 677 L CA 0.504 55.263 54.840 -0.135 0.000 0.775 677 L CB -0.256 41.755 42.059 -0.079 0.000 0.913 677 L HN 0.126 nan 8.230 nan 0.000 0.440 678 C N -0.173 119.125 119.300 -0.003 0.000 2.476 678 C HA -0.086 4.376 4.460 0.003 0.000 0.278 678 C C 2.775 177.774 174.990 0.015 0.000 1.274 678 C CA 0.495 59.529 59.018 0.027 0.000 1.713 678 C CB -0.760 26.999 27.740 0.031 0.000 2.039 678 C HN 0.441 nan 8.230 nan 0.000 0.484 679 R N 0.669 121.164 120.500 -0.008 0.000 2.276 679 R HA 0.078 4.420 4.340 0.003 0.000 0.203 679 R C 1.933 178.227 176.300 -0.011 0.000 1.017 679 R CA 0.948 57.042 56.100 -0.010 0.000 1.010 679 R CB -0.146 30.143 30.300 -0.019 0.000 0.900 679 R HN 0.558 nan 8.270 nan 0.000 0.469 680 A N 0.774 123.581 122.820 -0.023 0.000 1.881 680 A HA 0.091 4.412 4.320 0.003 0.000 0.210 680 A C 1.892 179.500 177.584 0.039 0.000 1.239 680 A CA 0.317 52.345 52.037 -0.015 0.000 0.629 680 A CB -0.116 18.832 19.000 -0.088 0.000 0.906 680 A HN 0.116 nan 8.150 nan 0.000 0.460 681 L N -0.788 120.472 121.223 0.062 0.000 2.418 681 L HA -0.033 4.308 4.340 0.003 0.000 0.218 681 L C 1.311 178.239 176.870 0.097 0.000 1.125 681 L CA 0.463 55.370 54.840 0.111 0.000 0.835 681 L CB -0.615 41.540 42.059 0.160 0.000 0.953 681 L HN 0.533 nan 8.230 nan 0.000 0.454 682 Q N -0.646 119.198 119.800 0.072 0.000 1.932 682 Q HA -0.448 3.894 4.340 0.003 0.000 0.407 682 Q C 1.548 177.598 176.000 0.084 0.000 0.787 682 Q CA 1.766 57.607 55.803 0.065 0.000 0.852 682 Q CB -1.326 27.442 28.738 0.051 0.000 3.472 682 Q HN 0.312 nan 8.270 nan 0.000 0.793 683 S N 0.479 116.224 115.700 0.075 0.000 2.400 683 S HA -0.118 4.354 4.470 0.003 0.000 0.232 683 S C 0.816 175.475 174.600 0.100 0.000 1.025 683 S CA 1.851 60.098 58.200 0.080 0.000 0.993 683 S CB -0.459 62.778 63.200 0.063 0.000 0.808 683 S HN 0.413 nan 8.310 nan 0.000 0.478 684 N N 1.094 119.863 118.700 0.115 0.000 2.652 684 N HA 0.176 4.917 4.740 0.003 0.000 0.259 684 N C 0.433 176.093 175.510 0.250 0.000 1.240 684 N CA -0.087 53.055 53.050 0.153 0.000 0.951 684 N CB 0.282 38.856 38.487 0.144 0.000 1.281 684 N HN 0.341 nan 8.380 nan 0.000 0.507 685 I N 0.156 120.868 120.570 0.237 0.000 4.439 685 I HA 0.136 4.308 4.170 0.003 0.000 0.331 685 I C 1.279 177.565 176.117 0.282 0.000 1.345 685 I CA 0.084 61.595 61.300 0.351 0.000 1.193 685 I CB 0.341 38.482 38.000 0.235 0.000 1.221 685 I HN 0.170 nan 8.210 nan 0.000 0.429 686 I N 3.035 123.691 120.570 0.144 0.000 2.151 686 I HA -0.217 3.955 4.170 0.003 0.000 0.243 686 I C -0.582 175.515 176.117 -0.034 0.000 1.080 686 I CA 1.757 63.101 61.300 0.073 0.000 1.339 686 I CB -1.859 36.170 38.000 0.048 0.000 1.039 686 I HN 0.156 nan 8.210 nan 0.000 0.409 687 P HA -0.151 nan 4.420 nan 0.000 0.223 687 P C 0.770 177.708 177.300 -0.603 0.000 1.144 687 P CA 1.505 64.296 63.100 -0.515 0.000 0.783 687 P CB -0.147 31.035 31.700 -0.863 0.000 0.771 688 F N -3.869 116.121 119.950 0.067 0.000 2.698 688 F HA 0.218 4.746 4.527 0.003 0.000 0.304 688 F C 1.656 177.492 175.800 0.059 0.000 1.108 688 F CA -0.339 57.701 58.000 0.067 0.000 1.263 688 F CB -0.904 38.150 39.000 0.089 0.000 1.013 688 F HN -0.101 nan 8.300 nan 0.000 0.532 689 C N -0.314 119.079 119.300 0.155 0.000 2.564 689 C HA -0.078 4.383 4.460 0.003 0.000 0.281 689 C C 2.719 177.739 174.990 0.050 0.000 1.314 689 C CA 0.689 59.770 59.018 0.104 0.000 1.706 689 C CB -0.340 27.472 27.740 0.120 0.000 2.109 689 C HN 0.440 nan 8.230 nan 0.000 0.502 690 D N 0.981 121.442 120.400 0.101 0.000 2.133 690 D HA -0.149 4.493 4.640 0.003 0.000 0.195 690 D C 2.022 178.360 176.300 0.063 0.000 0.997 690 D CA 1.462 55.534 54.000 0.120 0.000 0.840 690 D CB -0.225 40.640 40.800 0.109 0.000 0.947 690 D HN 0.604 nan 8.370 nan 0.000 0.452 691 E N -0.293 119.946 120.200 0.065 0.000 2.051 691 E HA -0.132 4.220 4.350 0.003 0.000 0.192 691 E C 2.365 178.995 176.600 0.051 0.000 0.991 691 E CA 0.896 57.333 56.400 0.061 0.000 0.799 691 E CB 0.015 29.764 29.700 0.081 0.000 0.748 691 E HN 0.144 nan 8.360 nan 0.000 0.449 692 V N 1.369 121.315 119.914 0.054 0.000 2.244 692 V HA -0.259 3.862 4.120 0.003 0.000 0.244 692 V C 2.355 178.447 176.094 -0.004 0.000 1.042 692 V CA 1.501 63.829 62.300 0.046 0.000 1.006 692 V CB -0.405 31.458 31.823 0.066 0.000 0.641 692 V HN 0.321 nan 8.190 nan 0.000 0.446 693 M N -0.365 119.156 119.600 -0.131 0.000 2.192 693 M HA -0.273 4.209 4.480 0.003 0.000 0.259 693 M C 2.218 178.444 176.300 -0.125 0.000 1.071 693 M CA 1.814 56.931 55.300 -0.305 0.000 1.082 693 M CB -1.123 30.951 32.600 -0.877 0.000 1.373 693 M HN 0.521 nan 8.290 nan 0.000 0.408 694 Q N 0.071 119.852 119.800 -0.032 0.000 2.083 694 Q HA -0.107 4.234 4.340 0.003 0.000 0.198 694 Q C 2.057 178.091 176.000 0.057 0.000 0.969 694 Q CA 1.027 56.848 55.803 0.030 0.000 0.838 694 Q CB 0.096 28.861 28.738 0.045 0.000 0.900 694 Q HN 0.495 nan 8.270 nan 0.000 0.436 695 L N 0.286 121.548 121.223 0.064 0.000 2.156 695 L HA -0.129 4.213 4.340 0.003 0.000 0.208 695 L C 2.289 179.233 176.870 0.123 0.000 1.095 695 L CA 0.469 55.364 54.840 0.091 0.000 0.770 695 L CB -0.236 41.873 42.059 0.084 0.000 0.914 695 L HN 0.299 nan 8.230 nan 0.000 0.439 696 L N -0.585 120.721 121.223 0.138 0.000 2.027 696 L HA -0.201 4.141 4.340 0.003 0.000 0.206 696 L C 2.494 179.503 176.870 0.233 0.000 1.074 696 L CA 1.135 56.104 54.840 0.214 0.000 0.745 696 L CB -0.352 41.928 42.059 0.368 0.000 0.898 696 L HN 0.234 nan 8.230 nan 0.000 0.433 697 L N -0.302 121.049 121.223 0.213 0.000 2.017 697 L HA -0.236 4.106 4.340 0.003 0.000 0.208 697 L C 2.646 179.590 176.870 0.123 0.000 1.073 697 L CA 1.366 56.319 54.840 0.189 0.000 0.745 697 L CB -0.437 41.692 42.059 0.116 0.000 0.894 697 L HN 0.331 nan 8.230 nan 0.000 0.432 698 E N 0.166 120.430 120.200 0.106 0.000 2.160 698 E HA -0.244 4.108 4.350 0.003 0.000 0.195 698 E C 1.746 178.400 176.600 0.090 0.000 0.991 698 E CA 1.074 57.531 56.400 0.094 0.000 0.810 698 E CB 0.046 29.807 29.700 0.102 0.000 0.742 698 E HN 0.492 nan 8.360 nan 0.000 0.466 699 N N 0.200 118.960 118.700 0.100 0.000 2.494 699 N HA -0.058 4.684 4.740 0.003 0.000 0.182 699 N C 1.808 177.311 175.510 -0.011 0.000 1.076 699 N CA 0.267 53.350 53.050 0.055 0.000 0.908 699 N CB 0.118 38.673 38.487 0.113 0.000 0.967 699 N HN 0.271 nan 8.380 nan 0.000 0.449 700 L N -0.171 121.069 121.223 0.028 0.000 2.131 700 L HA -0.043 4.298 4.340 0.003 0.000 0.210 700 L C 1.248 178.109 176.870 -0.015 0.000 1.092 700 L CA 0.631 55.477 54.840 0.009 0.000 0.759 700 L CB -0.213 41.877 42.059 0.052 0.000 0.903 700 L HN 0.062 nan 8.230 nan 0.000 0.435 701 G N -0.460 108.333 108.800 -0.012 0.000 2.938 701 G HA2 0.432 4.394 3.960 0.003 0.000 0.308 701 G HA3 0.432 4.394 3.960 0.003 0.000 0.308 701 G C -0.622 174.245 174.900 -0.055 0.000 1.422 701 G CA -0.057 45.028 45.100 -0.025 0.000 1.071 701 G HN 0.204 nan 8.290 nan 0.000 0.530 702 N N 1.641 120.250 118.700 -0.153 0.000 2.462 702 N HA -0.252 4.489 4.740 0.003 0.000 0.212 702 N C 0.828 176.270 175.510 -0.114 0.000 0.901 702 N CA 1.475 54.410 53.050 -0.191 0.000 1.075 702 N CB -0.804 37.604 38.487 -0.131 0.000 1.362 702 N HN 0.514 nan 8.380 nan 0.000 0.499 703 E N -2.077 118.071 120.200 -0.086 0.000 4.086 703 E HA -0.232 4.119 4.350 0.003 0.000 0.363 703 E C -0.058 176.499 176.600 -0.073 0.000 0.616 703 E CA 1.445 57.811 56.400 -0.056 0.000 1.293 703 E CB -1.743 27.955 29.700 -0.003 0.000 1.747 703 E HN 0.630 nan 8.360 nan 0.000 0.405 704 N N 0.074 118.719 118.700 -0.091 0.000 2.039 704 N HA 0.069 4.811 4.740 0.003 0.000 0.228 704 N C -0.460 174.991 175.510 -0.098 0.000 1.369 704 N CA 0.297 53.300 53.050 -0.078 0.000 0.806 704 N CB 0.899 39.371 38.487 -0.025 0.000 1.190 704 N HN -0.069 nan 8.380 nan 0.000 0.506 705 V N 1.854 121.663 119.914 -0.175 0.000 2.775 705 V HA 0.090 4.211 4.120 0.003 0.000 0.299 705 V C 1.173 177.204 176.094 -0.106 0.000 1.062 705 V CA -0.494 61.694 62.300 -0.188 0.000 1.063 705 V CB 0.861 32.486 31.823 -0.329 0.000 0.994 705 V HN 0.317 nan 8.190 nan 0.000 0.483 706 H N 3.586 122.562 119.070 -0.157 0.000 2.889 706 H HA 0.009 4.567 4.556 0.003 0.000 0.383 706 H C 1.359 176.536 175.328 -0.251 0.000 1.433 706 H CA 0.987 56.853 56.048 -0.303 0.000 1.461 706 H CB 0.604 29.973 29.762 -0.654 0.000 1.475 706 H HN 0.622 nan 8.280 nan 0.000 0.611 707 R N 0.311 120.267 120.500 -0.906 0.000 2.052 707 R HA -0.106 4.236 4.340 0.003 0.000 0.226 707 R C 2.274 178.497 176.300 -0.129 0.000 1.145 707 R CA 1.432 57.185 56.100 -0.579 0.000 0.952 707 R CB -0.387 29.392 30.300 -0.869 0.000 0.847 707 R HN 0.660 nan 8.270 nan 0.000 0.431 708 S N -0.122 115.614 115.700 0.060 0.000 2.595 708 S HA -0.016 4.456 4.470 0.003 0.000 0.235 708 S C 1.786 176.515 174.600 0.214 0.000 0.974 708 S CA 0.700 59.039 58.200 0.232 0.000 0.942 708 S CB 0.112 63.479 63.200 0.278 0.000 0.766 708 S HN 0.166 nan 8.310 nan 0.000 0.536 709 V N 1.679 121.705 119.914 0.186 0.000 2.379 709 V HA -0.081 4.041 4.120 0.003 0.000 0.245 709 V C 2.706 178.844 176.094 0.074 0.000 1.044 709 V CA 1.908 64.297 62.300 0.149 0.000 1.036 709 V CB -0.650 31.261 31.823 0.147 0.000 0.664 709 V HN 0.543 nan 8.190 nan 0.000 0.453 710 K N 0.419 120.854 120.400 0.058 0.000 2.001 710 K HA -0.141 4.181 4.320 0.003 0.000 0.208 710 K C -0.166 176.408 176.600 -0.043 0.000 1.048 710 K CA 1.632 57.918 56.287 -0.003 0.000 0.932 710 K CB -1.073 31.438 32.500 0.019 0.000 0.715 710 K HN 0.364 nan 8.250 nan 0.000 0.437 711 P HA -0.185 nan 4.420 nan 0.000 0.216 711 P C 1.034 178.299 177.300 -0.058 0.000 1.153 711 P CA 1.303 64.375 63.100 -0.047 0.000 0.858 711 P CB -0.001 31.687 31.700 -0.020 0.000 0.789 712 Q N -0.816 118.974 119.800 -0.016 0.000 2.124 712 Q HA -0.102 4.240 4.340 0.003 0.000 0.202 712 Q C 2.294 178.252 176.000 -0.071 0.000 0.977 712 Q CA 1.224 57.018 55.803 -0.016 0.000 0.850 712 Q CB -0.870 27.887 28.738 0.032 0.000 0.901 712 Q HN 0.381 nan 8.270 nan 0.000 0.429 713 I N 0.519 121.010 120.570 -0.130 0.000 2.226 713 I HA -0.276 3.895 4.170 0.003 0.000 0.245 713 I C 2.254 178.033 176.117 -0.564 0.000 1.100 713 I CA 0.898 62.033 61.300 -0.275 0.000 1.374 713 I CB -0.345 37.469 38.000 -0.310 0.000 1.057 713 I HN 0.148 nan 8.210 nan 0.000 0.413 714 L N -0.059 120.860 121.223 -0.508 0.000 2.127 714 L HA -0.206 4.136 4.340 0.003 0.000 0.211 714 L C 2.611 179.357 176.870 -0.207 0.000 1.089 714 L CA 1.174 55.724 54.840 -0.484 0.000 0.757 714 L CB -0.554 41.332 42.059 -0.288 0.000 0.899 714 L HN 0.203 nan 8.230 nan 0.000 0.434 715 S N -0.676 114.949 115.700 -0.125 0.000 2.387 715 S HA -0.089 4.383 4.470 0.003 0.000 0.226 715 S C 1.972 176.583 174.600 0.018 0.000 1.026 715 S CA 0.817 58.995 58.200 -0.037 0.000 0.972 715 S CB -0.033 63.151 63.200 -0.026 0.000 0.814 715 S HN 0.164 nan 8.310 nan 0.000 0.477 716 V N 1.538 121.471 119.914 0.032 0.000 2.759 716 V HA -0.096 4.025 4.120 0.003 0.000 0.256 716 V C 1.863 178.117 176.094 0.266 0.000 1.080 716 V CA 1.233 63.602 62.300 0.116 0.000 1.101 716 V CB -0.885 31.008 31.823 0.118 0.000 0.698 716 V HN 0.367 nan 8.190 nan 0.000 0.477 717 F N 1.715 121.667 119.950 0.004 0.000 2.171 717 F HA -0.018 4.511 4.527 0.003 0.000 0.300 717 F C 2.393 178.135 175.800 -0.097 0.000 1.090 717 F CA 1.105 59.123 58.000 0.030 0.000 1.293 717 F CB -1.508 37.532 39.000 0.066 0.000 1.013 717 F HN 0.234 nan 8.300 nan 0.000 0.486 718 G N -0.345 108.512 108.800 0.095 0.000 2.402 718 G HA2 -0.226 3.735 3.960 0.003 0.000 0.216 718 G HA3 -0.226 3.735 3.960 0.003 0.000 0.216 718 G C 1.320 176.179 174.900 -0.068 0.000 1.162 718 G CA 0.970 46.044 45.100 -0.042 0.000 0.777 718 G HN 0.230 nan 8.290 nan 0.000 0.539 719 D N 0.500 120.896 120.400 -0.006 0.000 2.144 719 D HA -0.060 4.581 4.640 0.003 0.000 0.200 719 D C 2.510 178.803 176.300 -0.012 0.000 0.978 719 D CA 0.218 54.215 54.000 -0.006 0.000 0.833 719 D CB -0.039 40.773 40.800 0.019 0.000 0.961 719 D HN 0.220 nan 8.370 nan 0.000 0.470 720 I N 1.049 121.622 120.570 0.005 0.000 2.113 720 I HA -0.217 3.955 4.170 0.003 0.000 0.238 720 I C 2.378 178.455 176.117 -0.067 0.000 1.070 720 I CA 1.021 62.339 61.300 0.029 0.000 1.332 720 I CB -1.005 37.065 38.000 0.115 0.000 1.044 720 I HN -0.060 nan 8.210 nan 0.000 0.402 721 A N 0.346 122.901 122.820 -0.441 0.000 2.024 721 A HA -0.190 4.132 4.320 0.003 0.000 0.220 721 A C 2.354 179.772 177.584 -0.276 0.000 1.164 721 A CA 1.305 52.876 52.037 -0.777 0.000 0.643 721 A CB -0.755 17.298 19.000 -1.578 0.000 0.806 721 A HN 0.470 nan 8.150 nan 0.000 0.451 722 L N -1.720 119.398 121.223 -0.175 0.000 2.418 722 L HA 0.109 4.451 4.340 0.003 0.000 0.218 722 L C 2.232 179.087 176.870 -0.025 0.000 1.125 722 L CA 0.806 55.598 54.840 -0.080 0.000 0.835 722 L CB -0.036 41.986 42.059 -0.061 0.000 0.953 722 L HN 0.379 nan 8.230 nan 0.000 0.454 723 A N -0.771 122.045 122.820 -0.007 0.000 2.390 723 A HA 0.208 4.529 4.320 0.003 0.000 0.232 723 A C 1.576 179.198 177.584 0.064 0.000 1.233 723 A CA 0.172 52.228 52.037 0.032 0.000 0.907 723 A CB -0.038 18.987 19.000 0.042 0.000 0.967 723 A HN 0.525 nan 8.150 nan 0.000 0.512 724 I N -6.514 114.102 120.570 0.076 0.000 4.770 724 I HA 0.505 4.676 4.170 0.003 0.000 0.327 724 I C 1.197 177.381 176.117 0.112 0.000 1.271 724 I CA 0.347 61.716 61.300 0.115 0.000 1.320 724 I CB 0.044 38.152 38.000 0.180 0.000 1.319 724 I HN 0.314 nan 8.210 nan 0.000 0.462 725 G N 2.251 111.108 108.800 0.094 0.000 2.565 725 G HA2 -0.376 3.586 3.960 0.003 0.000 0.295 725 G HA3 -0.376 3.586 3.960 0.003 0.000 0.295 725 G C 1.033 176.016 174.900 0.139 0.000 1.165 725 G CA 0.602 45.756 45.100 0.090 0.000 0.977 725 G HN 0.690 nan 8.290 nan 0.000 0.546 726 G N -0.124 108.744 108.800 0.114 0.000 2.475 726 G HA2 -0.074 3.887 3.960 0.003 0.000 0.220 726 G HA3 -0.074 3.887 3.960 0.003 0.000 0.220 726 G C 1.388 176.356 174.900 0.114 0.000 1.125 726 G CA 1.695 46.861 45.100 0.109 0.000 0.755 726 G HN 0.713 nan 8.290 nan 0.000 0.565 727 E N -0.317 119.958 120.200 0.125 0.000 2.331 727 E HA -0.095 4.256 4.350 0.003 0.000 0.199 727 E C 1.711 178.406 176.600 0.159 0.000 1.008 727 E CA 0.286 56.754 56.400 0.113 0.000 0.843 727 E CB -0.191 29.588 29.700 0.131 0.000 0.761 727 E HN 0.581 nan 8.360 nan 0.000 0.507 728 F N 1.385 121.384 119.950 0.082 0.000 2.710 728 F HA 0.035 4.564 4.527 0.003 0.000 0.298 728 F C 1.769 177.601 175.800 0.054 0.000 1.137 728 F CA 0.479 58.566 58.000 0.146 0.000 1.444 728 F CB 0.260 39.332 39.000 0.121 0.000 1.111 728 F HN -0.173 nan 8.300 nan 0.000 0.580 729 K N 0.312 120.753 120.400 0.068 0.000 2.360 729 K HA -0.230 4.092 4.320 0.003 0.000 0.201 729 K C 2.021 178.508 176.600 -0.189 0.000 1.046 729 K CA 1.066 57.344 56.287 -0.015 0.000 0.940 729 K CB -0.087 32.416 32.500 0.006 0.000 0.748 729 K HN 0.298 nan 8.250 nan 0.000 0.465 730 K N 0.378 120.541 120.400 -0.395 0.000 2.062 730 K HA -0.122 4.200 4.320 0.003 0.000 0.205 730 K C 1.051 177.234 176.600 -0.696 0.000 1.051 730 K CA 1.227 57.141 56.287 -0.621 0.000 0.941 730 K CB 0.111 32.051 32.500 -0.933 0.000 0.719 730 K HN 0.147 nan 8.250 nan 0.000 0.440 731 Y N -0.051 119.960 120.300 -0.482 0.000 2.458 731 Y HA 0.107 4.659 4.550 0.003 0.000 0.256 731 Y C 1.432 177.032 175.900 -0.499 0.000 1.159 731 Y CA -0.505 57.267 58.100 -0.547 0.000 1.261 731 Y CB 0.039 38.026 38.460 -0.789 0.000 1.119 731 Y HN 0.009 nan 8.280 nan 0.000 0.524 732 L N 1.213 122.265 121.223 -0.284 0.000 2.079 732 L HA -0.202 4.139 4.340 0.003 0.000 0.210 732 L C 2.287 179.186 176.870 0.049 0.000 1.081 732 L CA 1.912 56.755 54.840 0.005 0.000 0.752 732 L CB -0.454 41.676 42.059 0.118 0.000 0.896 732 L HN 0.360 nan 8.230 nan 0.000 0.433 733 E N -1.249 118.945 120.200 -0.010 0.000 2.072 733 E HA -0.152 4.200 4.350 0.003 0.000 0.190 733 E C 1.972 178.583 176.600 0.018 0.000 0.982 733 E CA 1.438 57.843 56.400 0.008 0.000 0.803 733 E CB 0.069 29.759 29.700 -0.018 0.000 0.755 733 E HN 0.410 nan 8.360 nan 0.000 0.453 734 V N 0.401 120.318 119.914 0.005 0.000 2.453 734 V HA -0.168 3.954 4.120 0.003 0.000 0.247 734 V C 2.374 178.513 176.094 0.074 0.000 1.048 734 V CA 1.030 63.348 62.300 0.029 0.000 1.049 734 V CB -0.141 31.695 31.823 0.022 0.000 0.672 734 V HN 0.164 nan 8.190 nan 0.000 0.457 735 V N 0.039 120.004 119.914 0.085 0.000 2.295 735 V HA -0.228 3.893 4.120 0.003 0.000 0.246 735 V C 2.374 178.574 176.094 0.177 0.000 1.049 735 V CA 1.910 64.326 62.300 0.192 0.000 1.024 735 V CB -0.531 31.444 31.823 0.253 0.000 0.648 735 V HN 0.431 nan 8.190 nan 0.000 0.447 736 L N 0.338 121.659 121.223 0.163 0.000 2.127 736 L HA -0.181 4.160 4.340 0.003 0.000 0.211 736 L C 2.380 179.312 176.870 0.103 0.000 1.089 736 L CA 1.309 56.251 54.840 0.170 0.000 0.757 736 L CB -0.635 41.530 42.059 0.178 0.000 0.899 736 L HN 0.431 nan 8.230 nan 0.000 0.434 737 N N -0.783 117.953 118.700 0.060 0.000 2.173 737 N HA -0.104 4.638 4.740 0.003 0.000 0.184 737 N C 1.844 177.368 175.510 0.023 0.000 1.025 737 N CA 1.634 54.691 53.050 0.012 0.000 0.852 737 N CB -0.602 37.888 38.487 0.005 0.000 0.998 737 N HN 0.153 nan 8.380 nan 0.000 0.427 738 T N 2.090 116.679 114.554 0.060 0.000 2.803 738 T HA -0.030 4.322 4.350 0.003 0.000 0.269 738 T C 2.060 176.777 174.700 0.029 0.000 1.052 738 T CA 0.738 62.874 62.100 0.061 0.000 1.136 738 T CB -0.204 68.738 68.868 0.123 0.000 0.864 738 T HN 0.124 nan 8.240 nan 0.000 0.467 739 L N 0.560 121.797 121.223 0.024 0.000 2.005 739 L HA -0.104 4.238 4.340 0.003 0.000 0.207 739 L C 2.950 179.854 176.870 0.057 0.000 1.072 739 L CA 1.389 56.203 54.840 -0.043 0.000 0.744 739 L CB -0.649 41.280 42.059 -0.217 0.000 0.895 739 L HN 0.268 nan 8.230 nan 0.000 0.433 740 Q N 0.035 119.896 119.800 0.101 0.000 2.133 740 Q HA -0.338 4.004 4.340 0.003 0.000 0.208 740 Q C 2.211 178.241 176.000 0.050 0.000 0.991 740 Q CA 2.357 58.172 55.803 0.021 0.000 0.867 740 Q CB -0.077 28.467 28.738 -0.324 0.000 0.911 740 Q HN 0.493 nan 8.270 nan 0.000 0.417 741 Q N -0.746 119.061 119.800 0.011 0.000 1.990 741 Q HA -0.135 4.206 4.340 0.003 0.000 0.200 741 Q C 1.966 177.996 176.000 0.051 0.000 0.980 741 Q CA 1.378 57.199 55.803 0.029 0.000 0.832 741 Q CB -0.256 28.492 28.738 0.018 0.000 0.897 741 Q HN 0.470 nan 8.270 nan 0.000 0.427 742 A N 0.080 122.915 122.820 0.025 0.000 2.070 742 A HA -0.144 4.177 4.320 0.003 0.000 0.220 742 A C 2.195 179.785 177.584 0.011 0.000 1.159 742 A CA 1.542 53.587 52.037 0.015 0.000 0.656 742 A CB -0.517 18.471 19.000 -0.020 0.000 0.800 742 A HN 0.439 nan 8.150 nan 0.000 0.453 743 S N -0.020 115.657 115.700 -0.038 0.000 2.353 743 S HA -0.262 4.210 4.470 0.003 0.000 0.222 743 S C 2.082 176.722 174.600 0.067 0.000 1.035 743 S CA 1.670 59.709 58.200 -0.268 0.000 1.025 743 S CB -0.415 62.484 63.200 -0.502 0.000 0.902 743 S HN 0.756 nan 8.310 nan 0.000 0.440 744 Q N 1.044 120.933 119.800 0.147 0.000 1.978 744 Q HA -0.150 4.191 4.340 0.003 0.000 0.211 744 Q C 1.324 177.458 176.000 0.223 0.000 1.013 744 Q CA 1.083 56.998 55.803 0.186 0.000 0.869 744 Q CB -0.648 28.171 28.738 0.135 0.000 0.953 744 Q HN 0.593 nan 8.270 nan 0.000 0.415 745 A N 1.201 124.117 122.820 0.160 0.000 2.151 745 A HA -0.283 4.038 4.320 0.003 0.000 0.271 745 A C 0.930 178.622 177.584 0.181 0.000 1.348 745 A CA 1.115 53.241 52.037 0.147 0.000 0.763 745 A CB -1.391 17.684 19.000 0.124 0.000 1.117 745 A HN 0.508 nan 8.150 nan 0.000 0.342 746 Q N -0.364 119.531 119.800 0.158 0.000 2.515 746 Q HA 0.039 4.380 4.340 0.003 0.000 0.215 746 Q C 0.764 176.858 176.000 0.156 0.000 0.983 746 Q CA 1.034 56.942 55.803 0.175 0.000 0.905 746 Q CB -0.393 28.410 28.738 0.108 0.000 0.961 746 Q HN 0.851 nan 8.270 nan 0.000 0.503 747 V N 2.080 122.066 119.914 0.119 0.000 3.233 747 V HA -0.132 3.990 4.120 0.003 0.000 0.290 747 V C 0.489 176.611 176.094 0.047 0.000 1.275 747 V CA 1.014 63.363 62.300 0.081 0.000 1.375 747 V CB 0.032 31.903 31.823 0.080 0.000 0.980 747 V HN 0.556 nan 8.190 nan 0.000 0.521 748 D N 2.525 122.930 120.400 0.007 0.000 3.158 748 D HA 0.196 4.838 4.640 0.003 0.000 0.314 748 D C 0.327 176.546 176.300 -0.135 0.000 1.308 748 D CA -0.691 53.280 54.000 -0.047 0.000 1.001 748 D CB 0.645 41.437 40.800 -0.014 0.000 1.389 748 D HN 0.332 nan 8.370 nan 0.000 0.595 749 K N 0.264 120.546 120.400 -0.197 0.000 2.574 749 K HA -0.010 4.311 4.320 0.003 0.000 0.193 749 K C 1.506 177.911 176.600 -0.325 0.000 1.035 749 K CA 0.738 56.809 56.287 -0.361 0.000 0.982 749 K CB -0.592 31.705 32.500 -0.338 0.000 0.795 749 K HN 0.414 nan 8.250 nan 0.000 0.491 750 S N 0.893 116.502 115.700 -0.152 0.000 2.348 750 S HA -0.140 4.332 4.470 0.003 0.000 0.221 750 S C 0.043 174.662 174.600 0.032 0.000 1.033 750 S CA 0.793 58.965 58.200 -0.047 0.000 1.010 750 S CB -0.257 62.965 63.200 0.036 0.000 0.891 750 S HN 0.311 nan 8.310 nan 0.000 0.442 751 D N -0.010 120.397 120.400 0.013 0.000 2.408 751 D HA 0.486 5.127 4.640 0.003 0.000 0.243 751 D C -0.170 176.173 176.300 0.071 0.000 1.075 751 D CA -0.565 53.496 54.000 0.101 0.000 0.832 751 D CB 1.068 41.911 40.800 0.071 0.000 1.162 751 D HN 0.191 nan 8.370 nan 0.000 0.515 752 Y N 0.878 121.155 120.300 -0.038 0.000 2.286 752 Y HA -0.112 4.440 4.550 0.003 0.000 0.293 752 Y C 1.704 177.587 175.900 -0.028 0.000 1.124 752 Y CA 0.769 58.843 58.100 -0.044 0.000 1.178 752 Y CB 0.098 38.520 38.460 -0.062 0.000 1.010 752 Y HN 0.384 nan 8.280 nan 0.000 0.536 753 D N -0.470 120.010 120.400 0.133 0.000 2.144 753 D HA -0.166 4.475 4.640 0.003 0.000 0.200 753 D C 1.690 178.033 176.300 0.072 0.000 0.978 753 D CA 1.158 55.200 54.000 0.070 0.000 0.833 753 D CB -0.484 40.335 40.800 0.032 0.000 0.961 753 D HN 0.166 nan 8.370 nan 0.000 0.470 754 M N 0.589 120.232 119.600 0.072 0.000 2.557 754 M HA 0.025 4.507 4.480 0.003 0.000 0.259 754 M C 1.745 178.122 176.300 0.128 0.000 1.086 754 M CA 0.347 55.718 55.300 0.119 0.000 1.096 754 M CB -0.092 32.562 32.600 0.090 0.000 1.424 754 M HN 0.027 nan 8.290 nan 0.000 0.488 755 V N 0.210 120.151 119.914 0.046 0.000 2.379 755 V HA -0.223 3.899 4.120 0.003 0.000 0.245 755 V C 1.672 177.768 176.094 0.004 0.000 1.044 755 V CA 1.947 64.238 62.300 -0.015 0.000 1.036 755 V CB -0.516 31.241 31.823 -0.110 0.000 0.664 755 V HN 0.338 nan 8.190 nan 0.000 0.453 756 D N -1.967 118.455 120.400 0.036 0.000 2.349 756 D HA -0.119 4.523 4.640 0.003 0.000 0.224 756 D C 1.622 177.972 176.300 0.084 0.000 1.029 756 D CA 0.276 54.298 54.000 0.037 0.000 0.879 756 D CB 0.057 40.878 40.800 0.036 0.000 0.906 756 D HN 0.601 nan 8.370 nan 0.000 0.528 757 Y N -0.392 119.902 120.300 -0.010 0.000 2.503 757 Y HA 0.158 4.710 4.550 0.003 0.000 0.277 757 Y C 1.507 177.407 175.900 0.001 0.000 1.102 757 Y CA 0.258 58.354 58.100 -0.006 0.000 1.261 757 Y CB -0.173 38.276 38.460 -0.018 0.000 1.096 757 Y HN -0.024 nan 8.280 nan 0.000 0.546 758 L N 1.251 122.388 121.223 -0.144 0.000 2.056 758 L HA -0.163 4.178 4.340 0.003 0.000 0.207 758 L C 1.775 178.545 176.870 -0.166 0.000 1.078 758 L CA 2.009 56.731 54.840 -0.195 0.000 0.749 758 L CB -0.929 41.103 42.059 -0.045 0.000 0.901 758 L HN 0.316 nan 8.230 nan 0.000 0.433 759 N N -0.858 117.780 118.700 -0.103 0.000 2.171 759 N HA -0.224 4.518 4.740 0.003 0.000 0.184 759 N C 1.640 177.105 175.510 -0.076 0.000 1.021 759 N CA 1.110 54.120 53.050 -0.067 0.000 0.854 759 N CB -0.079 38.386 38.487 -0.037 0.000 0.994 759 N HN 0.495 nan 8.380 nan 0.000 0.426 760 E N 0.950 121.090 120.200 -0.100 0.000 2.209 760 E HA -0.186 4.166 4.350 0.003 0.000 0.196 760 E C 1.862 178.377 176.600 -0.142 0.000 0.993 760 E CA 0.687 57.035 56.400 -0.086 0.000 0.819 760 E CB 0.131 29.809 29.700 -0.035 0.000 0.745 760 E HN 0.185 nan 8.360 nan 0.000 0.477 761 L N 0.488 121.556 121.223 -0.259 0.000 2.221 761 L HA 0.089 4.431 4.340 0.003 0.000 0.202 761 L C 2.171 179.001 176.870 -0.066 0.000 1.074 761 L CA 1.197 55.897 54.840 -0.233 0.000 0.795 761 L CB -0.216 41.595 42.059 -0.414 0.000 0.960 761 L HN -0.082 nan 8.230 nan 0.000 0.458 762 R N -0.196 120.299 120.500 -0.009 0.000 2.091 762 R HA -0.208 4.134 4.340 0.003 0.000 0.238 762 R C 2.185 178.563 176.300 0.131 0.000 1.136 762 R CA 1.739 57.928 56.100 0.149 0.000 0.959 762 R CB -0.419 29.928 30.300 0.079 0.000 0.856 762 R HN 0.531 nan 8.270 nan 0.000 0.437 763 E N 0.451 120.676 120.200 0.042 0.000 2.110 763 E HA -0.169 4.183 4.350 0.003 0.000 0.193 763 E C 1.675 178.300 176.600 0.041 0.000 0.988 763 E CA 1.493 57.917 56.400 0.039 0.000 0.804 763 E CB 0.131 29.837 29.700 0.011 0.000 0.745 763 E HN 0.183 nan 8.360 nan 0.000 0.458 764 S N 0.095 115.800 115.700 0.007 0.000 2.348 764 S HA -0.192 4.280 4.470 0.003 0.000 0.221 764 S C 2.162 176.747 174.600 -0.026 0.000 1.033 764 S CA 1.230 59.416 58.200 -0.023 0.000 1.010 764 S CB -0.485 62.677 63.200 -0.063 0.000 0.891 764 S HN 0.473 nan 8.310 nan 0.000 0.442 765 C N 1.632 120.927 119.300 -0.009 0.000 2.413 765 C HA -0.025 4.437 4.460 0.003 0.000 0.276 765 C C 2.504 177.527 174.990 0.056 0.000 1.248 765 C CA 0.541 59.520 59.018 -0.065 0.000 1.742 765 C CB -1.624 26.104 27.740 -0.019 0.000 2.017 765 C HN 0.526 nan 8.230 nan 0.000 0.481 766 L N 0.396 121.760 121.223 0.234 0.000 2.093 766 L HA -0.134 4.208 4.340 0.003 0.000 0.208 766 L C 2.545 179.522 176.870 0.179 0.000 1.085 766 L CA 1.489 56.507 54.840 0.297 0.000 0.755 766 L CB -0.751 41.445 42.059 0.228 0.000 0.904 766 L HN 0.446 nan 8.230 nan 0.000 0.435 767 E N 0.167 120.420 120.200 0.089 0.000 2.208 767 E HA -0.124 4.228 4.350 0.003 0.000 0.193 767 E C 2.261 178.877 176.600 0.026 0.000 0.988 767 E CA 0.843 57.273 56.400 0.050 0.000 0.828 767 E CB -0.012 29.701 29.700 0.022 0.000 0.763 767 E HN 0.488 nan 8.360 nan 0.000 0.478 768 A N 0.646 123.452 122.820 -0.024 0.000 1.854 768 A HA -0.154 4.168 4.320 0.003 0.000 0.214 768 A C 1.731 179.284 177.584 -0.052 0.000 1.192 768 A CA 1.012 53.001 52.037 -0.081 0.000 0.611 768 A CB -0.759 18.122 19.000 -0.199 0.000 0.832 768 A HN 0.211 nan 8.150 nan 0.000 0.442 769 Y N 1.001 121.353 120.300 0.086 0.000 2.256 769 Y HA -0.165 4.387 4.550 0.003 0.000 0.288 769 Y C 2.920 178.873 175.900 0.088 0.000 1.155 769 Y CA 1.560 59.720 58.100 0.100 0.000 1.203 769 Y CB -1.250 37.282 38.460 0.119 0.000 0.980 769 Y HN 0.263 nan 8.280 nan 0.000 0.530 770 T N -0.801 113.881 114.554 0.213 0.000 2.701 770 T HA -0.144 4.208 4.350 0.003 0.000 0.263 770 T C 2.300 177.041 174.700 0.069 0.000 1.040 770 T CA 1.536 63.721 62.100 0.141 0.000 1.147 770 T CB -0.907 68.026 68.868 0.108 0.000 0.865 770 T HN 0.558 nan 8.240 nan 0.000 0.426 771 G N 0.942 109.754 108.800 0.019 0.000 2.432 771 G HA2 -0.109 3.852 3.960 0.003 0.000 0.219 771 G HA3 -0.109 3.852 3.960 0.003 0.000 0.219 771 G C 1.528 176.364 174.900 -0.107 0.000 1.135 771 G CA 0.385 45.454 45.100 -0.052 0.000 0.767 771 G HN 0.486 nan 8.290 nan 0.000 0.550 772 I N 0.166 120.694 120.570 -0.070 0.000 2.286 772 I HA -0.111 4.061 4.170 0.003 0.000 0.245 772 I C 2.684 178.812 176.117 0.019 0.000 1.104 772 I CA 0.412 61.669 61.300 -0.071 0.000 1.397 772 I CB -0.141 37.902 38.000 0.071 0.000 1.072 772 I HN 0.028 nan 8.210 nan 0.000 0.417 773 V N 0.197 120.161 119.914 0.083 0.000 2.323 773 V HA -0.214 3.907 4.120 0.003 0.000 0.244 773 V C 2.442 178.530 176.094 -0.010 0.000 1.041 773 V CA 1.507 63.849 62.300 0.070 0.000 1.025 773 V CB -0.585 31.329 31.823 0.151 0.000 0.656 773 V HN 0.405 nan 8.190 nan 0.000 0.451 774 Q N 0.227 120.032 119.800 0.007 0.000 2.167 774 Q HA -0.084 4.257 4.340 0.003 0.000 0.202 774 Q C 2.324 178.310 176.000 -0.023 0.000 0.970 774 Q CA 1.664 57.464 55.803 -0.006 0.000 0.855 774 Q CB -0.699 28.042 28.738 0.005 0.000 0.911 774 Q HN 0.686 nan 8.270 nan 0.000 0.438 775 G N 0.567 109.341 108.800 -0.043 0.000 2.404 775 G HA2 -0.155 3.806 3.960 0.003 0.000 0.215 775 G HA3 -0.155 3.806 3.960 0.003 0.000 0.215 775 G C 1.470 176.359 174.900 -0.020 0.000 1.174 775 G CA 0.228 45.300 45.100 -0.047 0.000 0.780 775 G HN 0.276 nan 8.290 nan 0.000 0.537 776 L N -0.203 120.999 121.223 -0.035 0.000 2.395 776 L HA 0.129 4.471 4.340 0.003 0.000 0.218 776 L C 2.591 179.374 176.870 -0.145 0.000 1.130 776 L CA 0.570 55.383 54.840 -0.045 0.000 0.826 776 L CB -0.174 41.863 42.059 -0.036 0.000 0.941 776 L HN 0.199 nan 8.230 nan 0.000 0.451 777 K N -0.104 120.212 120.400 -0.140 0.000 2.035 777 K HA 0.226 4.548 4.320 0.003 0.000 0.213 777 K C 0.959 177.607 176.600 0.079 0.000 1.027 777 K CA 1.004 57.209 56.287 -0.137 0.000 0.950 777 K CB 0.093 32.526 32.500 -0.112 0.000 0.790 777 K HN 0.239 nan 8.250 nan 0.000 0.448 778 G N -0.102 108.729 108.800 0.051 0.000 2.337 778 G HA2 -0.227 3.734 3.960 0.003 0.000 0.197 778 G HA3 -0.227 3.734 3.960 0.003 0.000 0.197 778 G C -0.285 174.646 174.900 0.052 0.000 1.238 778 G CA 0.273 45.411 45.100 0.064 0.000 1.119 778 G HN 0.495 nan 8.290 nan 0.000 0.514 779 D N -1.163 119.264 120.400 0.046 0.000 2.753 779 D HA 0.132 4.773 4.640 0.003 0.000 0.291 779 D C 1.427 177.744 176.300 0.029 0.000 1.075 779 D CA 1.450 55.470 54.000 0.034 0.000 0.946 779 D CB 0.133 40.947 40.800 0.023 0.000 1.376 779 D HN 0.719 nan 8.370 nan 0.000 0.482 780 Q N 0.280 120.094 119.800 0.024 0.000 2.506 780 Q HA 0.349 4.691 4.340 0.003 0.000 0.380 780 Q C -0.492 175.506 176.000 -0.003 0.000 0.867 780 Q CA -0.602 55.207 55.803 0.010 0.000 1.093 780 Q CB 0.900 29.642 28.738 0.007 0.000 1.388 780 Q HN 0.014 nan 8.270 nan 0.000 0.400 781 E N 1.372 121.568 120.200 -0.006 0.000 2.376 781 E HA 0.256 4.607 4.350 0.003 0.000 0.254 781 E C -0.712 175.803 176.600 -0.141 0.000 1.213 781 E CA -0.242 56.127 56.400 -0.050 0.000 0.945 781 E CB 0.716 30.413 29.700 -0.005 0.000 1.057 781 E HN 0.318 nan 8.360 nan 0.000 0.479 782 N N 1.092 119.670 118.700 -0.203 0.000 2.549 782 N HA 0.111 4.852 4.740 0.003 0.000 0.281 782 N C -1.368 173.987 175.510 -0.258 0.000 1.084 782 N CA -0.328 52.608 53.050 -0.189 0.000 0.862 782 N CB 1.746 40.178 38.487 -0.091 0.000 1.333 782 N HN 0.390 nan 8.380 nan 0.000 0.523 783 V N 5.416 125.150 119.914 -0.301 0.000 5.720 783 V HA -0.309 3.813 4.120 0.003 0.000 0.167 783 V C 1.531 177.542 176.094 -0.139 0.000 0.719 783 V CA 1.282 63.459 62.300 -0.204 0.000 0.518 783 V CB -1.182 30.593 31.823 -0.079 0.000 0.203 783 V HN 0.798 nan 8.190 nan 0.000 0.402 784 H N 3.996 123.069 119.070 0.006 0.000 2.252 784 H HA -0.125 4.433 4.556 0.003 0.000 0.292 784 H C 0.123 175.462 175.328 0.018 0.000 1.082 784 H CA 1.652 57.708 56.048 0.012 0.000 1.229 784 H CB -1.745 28.023 29.762 0.010 0.000 1.353 784 H HN 0.663 nan 8.280 nan 0.000 0.488 785 P HA -0.087 nan 4.420 nan 0.000 0.216 785 P C 0.235 177.686 177.300 0.251 0.000 1.153 785 P CA 1.667 65.033 63.100 0.444 0.000 0.844 785 P CB 0.225 32.058 31.700 0.222 0.000 0.787 786 D N -1.927 118.541 120.400 0.115 0.000 4.018 786 D HA -0.199 4.443 4.640 0.003 0.000 0.207 786 D C 1.583 177.850 176.300 -0.055 0.000 1.219 786 D CA 2.443 56.451 54.000 0.014 0.000 2.366 786 D CB -1.722 39.081 40.800 0.005 0.000 1.202 786 D HN 0.136 nan 8.370 nan 0.000 0.414 787 V N -0.867 118.900 119.914 -0.245 0.000 2.490 787 V HA -0.204 3.917 4.120 0.003 0.000 0.250 787 V C 2.460 178.614 176.094 0.101 0.000 1.061 787 V CA 2.089 64.293 62.300 -0.159 0.000 1.064 787 V CB -0.584 30.957 31.823 -0.470 0.000 0.670 787 V HN 0.249 nan 8.190 nan 0.000 0.461 788 M N 0.026 119.674 119.600 0.081 0.000 2.530 788 M HA -0.038 4.444 4.480 0.003 0.000 0.261 788 M C 1.999 178.400 176.300 0.168 0.000 1.067 788 M CA 1.365 56.781 55.300 0.192 0.000 1.071 788 M CB -1.278 31.401 32.600 0.132 0.000 1.405 788 M HN 0.430 nan 8.290 nan 0.000 0.478 789 L N -1.211 120.093 121.223 0.134 0.000 2.156 789 L HA -0.088 4.253 4.340 0.003 0.000 0.208 789 L C 1.983 178.931 176.870 0.131 0.000 1.095 789 L CA 0.489 55.396 54.840 0.111 0.000 0.770 789 L CB -0.415 41.700 42.059 0.093 0.000 0.914 789 L HN 0.027 nan 8.230 nan 0.000 0.439 790 V N -0.863 119.170 119.914 0.198 0.000 3.649 790 V HA -0.058 4.064 4.120 0.003 0.000 0.275 790 V C 2.160 178.310 176.094 0.094 0.000 1.281 790 V CA 0.378 62.798 62.300 0.199 0.000 1.143 790 V CB -0.040 31.963 31.823 0.300 0.000 0.892 790 V HN 0.408 nan 8.190 nan 0.000 0.441 791 Q N 1.680 121.564 119.800 0.140 0.000 2.030 791 Q HA -0.174 4.167 4.340 0.003 0.000 0.204 791 Q C -0.396 175.479 176.000 -0.208 0.000 0.986 791 Q CA 2.202 57.929 55.803 -0.125 0.000 0.843 791 Q CB -1.202 27.618 28.738 0.137 0.000 0.904 791 Q HN 0.463 nan 8.270 nan 0.000 0.420 792 P HA -0.039 nan 4.420 nan 0.000 0.236 792 P C 0.295 177.554 177.300 -0.068 0.000 1.172 792 P CA 0.787 63.851 63.100 -0.061 0.000 0.759 792 P CB -0.024 31.665 31.700 -0.019 0.000 0.843 793 R N -1.540 118.902 120.500 -0.096 0.000 2.397 793 R HA 0.186 4.528 4.340 0.003 0.000 0.241 793 R C 1.634 177.866 176.300 -0.114 0.000 0.914 793 R CA 0.066 56.134 56.100 -0.054 0.000 1.071 793 R CB -0.927 29.373 30.300 -0.001 0.000 1.116 793 R HN 0.146 nan 8.270 nan 0.000 0.524 794 V N 1.470 121.235 119.914 -0.248 0.000 2.407 794 V HA -0.266 3.856 4.120 0.003 0.000 0.248 794 V C 2.457 178.460 176.094 -0.152 0.000 1.055 794 V CA 2.234 64.359 62.300 -0.291 0.000 1.049 794 V CB -0.352 31.204 31.823 -0.445 0.000 0.662 794 V HN 0.266 nan 8.190 nan 0.000 0.455 795 E N 0.891 121.038 120.200 -0.089 0.000 2.012 795 E HA -0.298 4.054 4.350 0.003 0.000 0.197 795 E C 2.000 178.605 176.600 0.008 0.000 1.007 795 E CA 2.170 58.551 56.400 -0.031 0.000 0.816 795 E CB -0.702 28.999 29.700 0.001 0.000 0.762 795 E HN 0.493 nan 8.360 nan 0.000 0.451 796 F N 0.537 120.435 119.950 -0.087 0.000 2.202 796 F HA -0.060 4.468 4.527 0.003 0.000 0.301 796 F C 1.984 177.743 175.800 -0.067 0.000 1.082 796 F CA 1.499 59.461 58.000 -0.063 0.000 1.313 796 F CB -0.134 38.824 39.000 -0.070 0.000 1.024 796 F HN 0.100 nan 8.300 nan 0.000 0.495 797 I N -0.161 120.314 120.570 -0.159 0.000 2.252 797 I HA -0.311 3.861 4.170 0.003 0.000 0.245 797 I C 2.297 178.311 176.117 -0.172 0.000 1.102 797 I CA 1.212 62.336 61.300 -0.294 0.000 1.385 797 I CB -0.460 37.335 38.000 -0.343 0.000 1.064 797 I HN 0.190 nan 8.210 nan 0.000 0.414 798 L N -0.348 120.790 121.223 -0.142 0.000 2.072 798 L HA -0.142 4.199 4.340 0.003 0.000 0.205 798 L C 2.659 179.460 176.870 -0.115 0.000 1.079 798 L CA 0.991 55.761 54.840 -0.116 0.000 0.752 798 L CB -0.488 41.511 42.059 -0.100 0.000 0.906 798 L HN 0.150 nan 8.230 nan 0.000 0.436 799 S N -0.079 115.551 115.700 -0.117 0.000 2.383 799 S HA -0.202 4.269 4.470 0.003 0.000 0.229 799 S C 1.763 176.305 174.600 -0.097 0.000 1.030 799 S CA 1.349 59.490 58.200 -0.099 0.000 1.002 799 S CB -0.376 62.773 63.200 -0.085 0.000 0.829 799 S HN 0.365 nan 8.310 nan 0.000 0.467 800 F N 2.463 122.193 119.950 -0.367 0.000 2.146 800 F HA -0.039 4.490 4.527 0.003 0.000 0.298 800 F C 1.781 177.494 175.800 -0.145 0.000 1.096 800 F CA 0.872 58.691 58.000 -0.302 0.000 1.275 800 F CB -0.308 38.397 39.000 -0.491 0.000 1.008 800 F HN 0.075 nan 8.300 nan 0.000 0.480 801 I N 0.521 120.925 120.570 -0.277 0.000 2.226 801 I HA -0.259 3.913 4.170 0.003 0.000 0.245 801 I C 2.211 178.149 176.117 -0.298 0.000 1.100 801 I CA 1.713 62.812 61.300 -0.334 0.000 1.374 801 I CB -1.445 36.440 38.000 -0.192 0.000 1.057 801 I HN 0.198 nan 8.210 nan 0.000 0.413 802 D N 0.509 120.794 120.400 -0.191 0.000 2.084 802 D HA -0.281 4.360 4.640 0.003 0.000 0.194 802 D C 2.247 178.469 176.300 -0.129 0.000 0.990 802 D CA 1.689 55.608 54.000 -0.136 0.000 0.826 802 D CB -0.255 40.501 40.800 -0.072 0.000 0.971 802 D HN 0.450 nan 8.370 nan 0.000 0.453 803 H N -0.374 118.581 119.070 -0.193 0.000 2.518 803 H HA 0.037 4.595 4.556 0.003 0.000 0.289 803 H C 2.008 177.200 175.328 -0.226 0.000 1.051 803 H CA 1.155 57.106 56.048 -0.162 0.000 1.280 803 H CB -0.342 29.356 29.762 -0.106 0.000 1.380 803 H HN 0.254 nan 8.280 nan 0.000 0.566 804 I N -0.554 119.695 120.570 -0.534 0.000 2.852 804 I HA -0.012 4.160 4.170 0.003 0.000 0.264 804 I C 2.250 178.108 176.117 -0.431 0.000 1.179 804 I CA 0.767 61.709 61.300 -0.596 0.000 1.480 804 I CB -0.176 37.406 38.000 -0.698 0.000 1.111 804 I HN 0.467 nan 8.210 nan 0.000 0.441 805 A N 0.275 122.880 122.820 -0.358 0.000 1.930 805 A HA -0.013 4.308 4.320 0.003 0.000 0.215 805 A C 2.310 179.815 177.584 -0.132 0.000 1.176 805 A CA 1.278 53.138 52.037 -0.295 0.000 0.632 805 A CB -1.203 17.658 19.000 -0.231 0.000 0.819 805 A HN 0.420 nan 8.150 nan 0.000 0.445 806 G N -0.117 108.603 108.800 -0.133 0.000 2.479 806 G HA2 -0.105 3.856 3.960 0.003 0.000 0.220 806 G HA3 -0.105 3.856 3.960 0.003 0.000 0.220 806 G C -0.086 174.772 174.900 -0.071 0.000 1.115 806 G CA 0.778 45.832 45.100 -0.078 0.000 0.757 806 G HN 0.450 nan 8.290 nan 0.000 0.560 807 D N 0.315 120.656 120.400 -0.098 0.000 2.348 807 D HA 0.192 4.834 4.640 0.003 0.000 0.253 807 D C 1.708 178.000 176.300 -0.013 0.000 1.161 807 D CA -0.232 53.718 54.000 -0.083 0.000 0.876 807 D CB 1.062 41.777 40.800 -0.140 0.000 1.160 807 D HN 0.393 nan 8.370 nan 0.000 0.459 808 E N 1.676 121.811 120.200 -0.108 0.000 2.347 808 E HA -0.165 4.187 4.350 0.003 0.000 0.196 808 E C -0.242 176.193 176.600 -0.274 0.000 1.008 808 E CA 0.585 56.873 56.400 -0.187 0.000 0.852 808 E CB -0.120 29.468 29.700 -0.186 0.000 0.783 808 E HN 0.417 nan 8.360 nan 0.000 0.505 809 D N 1.284 121.560 120.400 -0.208 0.000 3.057 809 D HA 0.055 4.696 4.640 0.003 0.000 0.246 809 D C -0.365 175.852 176.300 -0.138 0.000 1.238 809 D CA -0.493 53.386 54.000 -0.203 0.000 0.949 809 D CB -1.096 39.586 40.800 -0.196 0.000 1.086 809 D HN 0.354 nan 8.370 nan 0.000 0.487 810 H N -2.926 116.065 119.070 -0.131 0.000 2.538 810 H HA 0.651 5.208 4.556 0.003 0.000 0.353 810 H C -0.344 174.929 175.328 -0.093 0.000 1.109 810 H CA -1.018 54.957 56.048 -0.122 0.000 1.192 810 H CB 1.499 31.174 29.762 -0.146 0.000 1.555 810 H HN -0.099 nan 8.280 nan 0.000 0.518 811 T N 0.498 115.086 114.554 0.058 0.000 2.884 811 T HA 0.085 4.436 4.350 0.003 0.000 0.277 811 T C 0.888 175.636 174.700 0.081 0.000 0.976 811 T CA -0.471 61.640 62.100 0.019 0.000 0.956 811 T CB 0.668 69.534 68.868 -0.003 0.000 1.113 811 T HN 0.773 nan 8.240 nan 0.000 0.554 812 D N 1.206 121.629 120.400 0.038 0.000 2.097 812 D HA -0.051 4.591 4.640 0.003 0.000 0.195 812 D C 2.057 178.376 176.300 0.032 0.000 0.989 812 D CA 1.532 55.557 54.000 0.041 0.000 0.827 812 D CB -0.637 40.176 40.800 0.021 0.000 0.966 812 D HN 0.757 nan 8.370 nan 0.000 0.456 813 G N 0.902 109.715 108.800 0.022 0.000 2.475 813 G HA2 -0.226 3.735 3.960 0.003 0.000 0.220 813 G HA3 -0.226 3.735 3.960 0.003 0.000 0.220 813 G C 1.858 176.768 174.900 0.016 0.000 1.125 813 G CA 0.745 45.855 45.100 0.016 0.000 0.755 813 G HN 0.227 nan 8.290 nan 0.000 0.565 814 V N -0.187 119.737 119.914 0.017 0.000 2.346 814 V HA -0.058 4.064 4.120 0.003 0.000 0.244 814 V C 2.757 178.834 176.094 -0.029 0.000 1.037 814 V CA 1.151 63.449 62.300 -0.003 0.000 1.029 814 V CB -0.002 31.815 31.823 -0.010 0.000 0.663 814 V HN 0.223 nan 8.190 nan 0.000 0.454 815 V N 0.170 120.078 119.914 -0.010 0.000 2.759 815 V HA -0.173 3.948 4.120 0.003 0.000 0.256 815 V C 2.442 178.527 176.094 -0.016 0.000 1.080 815 V CA 1.885 64.156 62.300 -0.049 0.000 1.101 815 V CB -0.083 31.748 31.823 0.015 0.000 0.698 815 V HN 0.521 nan 8.190 nan 0.000 0.477 816 A N -1.678 121.149 122.820 0.011 0.000 1.903 816 A HA -0.155 4.167 4.320 0.003 0.000 0.213 816 A C 2.228 179.834 177.584 0.037 0.000 1.185 816 A CA 1.618 53.671 52.037 0.027 0.000 0.628 816 A CB -0.879 18.135 19.000 0.023 0.000 0.830 816 A HN 0.618 nan 8.150 nan 0.000 0.446 817 C N -0.847 118.471 119.300 0.030 0.000 2.467 817 C HA 0.242 4.704 4.460 0.003 0.000 0.279 817 C C 3.205 178.230 174.990 0.059 0.000 1.347 817 C CA 0.391 59.438 59.018 0.049 0.000 1.748 817 C CB -1.106 26.663 27.740 0.048 0.000 1.977 817 C HN 0.681 nan 8.230 nan 0.000 0.501 818 A N 0.891 123.719 122.820 0.014 0.000 1.898 818 A HA 0.107 4.428 4.320 0.003 0.000 0.216 818 A C 2.355 179.939 177.584 0.000 0.000 1.181 818 A CA 1.961 53.986 52.037 -0.020 0.000 0.620 818 A CB -0.792 18.135 19.000 -0.122 0.000 0.819 818 A HN 0.535 nan 8.150 nan 0.000 0.442 819 A N -0.506 122.324 122.820 0.016 0.000 1.897 819 A HA 0.190 4.512 4.320 0.003 0.000 0.215 819 A C 2.403 180.082 177.584 0.159 0.000 1.181 819 A CA 1.717 53.783 52.037 0.050 0.000 0.620 819 A CB -1.369 17.665 19.000 0.057 0.000 0.821 819 A HN 0.739 nan 8.150 nan 0.000 0.443 820 G N -0.480 108.441 108.800 0.202 0.000 2.462 820 G HA2 -0.165 3.797 3.960 0.003 0.000 0.220 820 G HA3 -0.165 3.797 3.960 0.003 0.000 0.220 820 G C 1.440 176.537 174.900 0.329 0.000 1.121 820 G CA 0.998 46.293 45.100 0.325 0.000 0.758 820 G HN 0.382 nan 8.290 nan 0.000 0.559 821 L N 0.688 122.028 121.223 0.195 0.000 2.131 821 L HA 0.060 4.402 4.340 0.003 0.000 0.206 821 L C 2.683 179.633 176.870 0.134 0.000 1.087 821 L CA 1.090 56.035 54.840 0.174 0.000 0.767 821 L CB -0.604 41.544 42.059 0.148 0.000 0.917 821 L HN 0.087 nan 8.230 nan 0.000 0.441 822 I N 0.429 121.041 120.570 0.069 0.000 2.163 822 I HA -0.216 3.955 4.170 0.003 0.000 0.243 822 I C 2.698 178.783 176.117 -0.054 0.000 1.085 822 I CA 1.524 62.816 61.300 -0.013 0.000 1.347 822 I CB -2.044 35.911 38.000 -0.073 0.000 1.044 822 I HN 0.253 nan 8.210 nan 0.000 0.408 823 G N 0.540 109.277 108.800 -0.105 0.000 2.418 823 G HA2 -0.230 3.732 3.960 0.003 0.000 0.217 823 G HA3 -0.230 3.732 3.960 0.003 0.000 0.217 823 G C 1.307 176.157 174.900 -0.084 0.000 1.158 823 G CA 0.690 45.485 45.100 -0.509 0.000 0.771 823 G HN 0.308 nan 8.290 nan 0.000 0.545 824 D N 0.677 121.237 120.400 0.267 0.000 2.104 824 D HA -0.100 4.541 4.640 0.003 0.000 0.194 824 D C 2.660 179.061 176.300 0.168 0.000 0.994 824 D CA 0.630 54.789 54.000 0.266 0.000 0.830 824 D CB -0.314 40.636 40.800 0.250 0.000 0.959 824 D HN 0.315 nan 8.370 nan 0.000 0.452 825 L N 0.206 121.546 121.223 0.195 0.000 2.056 825 L HA -0.166 4.175 4.340 0.003 0.000 0.207 825 L C 2.738 179.744 176.870 0.226 0.000 1.078 825 L CA 0.789 55.830 54.840 0.335 0.000 0.749 825 L CB -0.582 41.609 42.059 0.222 0.000 0.901 825 L HN 0.127 nan 8.230 nan 0.000 0.433 826 C N -0.353 118.982 119.300 0.059 0.000 2.413 826 C HA -0.166 4.296 4.460 0.003 0.000 0.276 826 C C 2.944 177.931 174.990 -0.004 0.000 1.248 826 C CA 1.550 60.563 59.018 -0.007 0.000 1.742 826 C CB -1.000 26.665 27.740 -0.125 0.000 2.017 826 C HN 0.550 nan 8.230 nan 0.000 0.481 827 T N 0.638 115.184 114.554 -0.014 0.000 2.942 827 T HA 0.038 4.389 4.350 0.003 0.000 0.265 827 T C 2.036 176.717 174.700 -0.032 0.000 1.062 827 T CA 1.364 63.464 62.100 -0.000 0.000 1.139 827 T CB -0.231 68.675 68.868 0.065 0.000 0.883 827 T HN 0.631 nan 8.240 nan 0.000 0.468 828 A N 0.612 123.372 122.820 -0.100 0.000 1.911 828 A HA 0.289 4.611 4.320 0.003 0.000 0.212 828 A C 1.567 178.881 177.584 -0.450 0.000 1.189 828 A CA 0.665 52.490 52.037 -0.354 0.000 0.639 828 A CB -0.471 18.154 19.000 -0.625 0.000 0.839 828 A HN 0.471 nan 8.150 nan 0.000 0.449 829 F N -0.905 119.053 119.950 0.014 0.000 2.721 829 F HA 0.427 4.956 4.527 0.003 0.000 0.301 829 F C 1.649 177.454 175.800 0.010 0.000 1.096 829 F CA 0.467 58.474 58.000 0.011 0.000 1.308 829 F CB 0.171 39.174 39.000 0.005 0.000 1.086 829 F HN 0.491 nan 8.300 nan 0.000 0.587 830 G N 1.401 110.279 108.800 0.129 0.000 2.484 830 G HA2 -0.325 3.636 3.960 0.003 0.000 0.225 830 G HA3 -0.325 3.636 3.960 0.003 0.000 0.225 830 G C 0.805 175.741 174.900 0.061 0.000 1.250 830 G CA 0.033 45.178 45.100 0.074 0.000 0.926 830 G HN 0.346 nan 8.290 nan 0.000 0.581 831 K N 0.547 120.975 120.400 0.046 0.000 2.487 831 K HA 0.182 4.504 4.320 0.003 0.000 0.192 831 K C 1.366 177.984 176.600 0.030 0.000 1.027 831 K CA 1.594 57.898 56.287 0.029 0.000 1.054 831 K CB -0.068 32.445 32.500 0.021 0.000 0.824 831 K HN 0.411 nan 8.250 nan 0.000 0.510 832 D N 0.401 120.827 120.400 0.043 0.000 2.249 832 D HA -0.073 4.569 4.640 0.003 0.000 0.205 832 D C 1.566 177.876 176.300 0.018 0.000 0.962 832 D CA 0.598 54.617 54.000 0.031 0.000 0.860 832 D CB 0.373 41.194 40.800 0.036 0.000 0.955 832 D HN -0.013 nan 8.370 nan 0.000 0.505 833 V N 0.963 120.896 119.914 0.031 0.000 2.720 833 V HA -0.178 3.943 4.120 0.003 0.000 0.256 833 V C 2.112 178.202 176.094 -0.007 0.000 1.082 833 V CA 0.861 63.166 62.300 0.009 0.000 1.101 833 V CB -0.345 31.502 31.823 0.041 0.000 0.693 833 V HN 0.233 nan 8.190 nan 0.000 0.479 834 L N 0.479 121.704 121.223 0.003 0.000 2.027 834 L HA -0.107 4.235 4.340 0.003 0.000 0.206 834 L C 2.421 179.301 176.870 0.017 0.000 1.074 834 L CA 1.922 56.766 54.840 0.007 0.000 0.745 834 L CB -0.665 41.400 42.059 0.010 0.000 0.898 834 L HN 0.191 nan 8.230 nan 0.000 0.433 835 K N -0.773 119.635 120.400 0.012 0.000 2.103 835 K HA -0.166 4.156 4.320 0.003 0.000 0.207 835 K C 1.899 178.506 176.600 0.013 0.000 1.048 835 K CA 1.599 57.894 56.287 0.014 0.000 0.930 835 K CB -0.334 32.171 32.500 0.009 0.000 0.716 835 K HN 0.236 nan 8.250 nan 0.000 0.444 836 L N 0.083 121.306 121.223 -0.001 0.000 2.270 836 L HA -0.071 4.270 4.340 0.003 0.000 0.210 836 L C 2.042 178.904 176.870 -0.012 0.000 1.104 836 L CA 0.827 55.661 54.840 -0.010 0.000 0.804 836 L CB -0.160 41.881 42.059 -0.030 0.000 0.937 836 L HN -0.091 nan 8.230 nan 0.000 0.450 837 V N -0.566 119.338 119.914 -0.016 0.000 2.667 837 V HA -0.203 3.919 4.120 0.003 0.000 0.252 837 V C 2.282 178.427 176.094 0.085 0.000 1.065 837 V CA 1.348 63.620 62.300 -0.046 0.000 1.083 837 V CB -0.417 31.343 31.823 -0.106 0.000 0.692 837 V HN 0.484 nan 8.190 nan 0.000 0.468 838 E N 0.556 120.841 120.200 0.141 0.000 2.106 838 E HA -0.130 4.222 4.350 0.003 0.000 0.192 838 E C 2.306 178.973 176.600 0.112 0.000 0.984 838 E CA 1.147 57.661 56.400 0.191 0.000 0.806 838 E CB -0.276 29.471 29.700 0.079 0.000 0.750 838 E HN 0.593 nan 8.360 nan 0.000 0.458 839 A N 1.260 124.116 122.820 0.059 0.000 2.070 839 A HA -0.094 4.227 4.320 0.003 0.000 0.220 839 A C 1.208 178.813 177.584 0.036 0.000 1.159 839 A CA 0.737 52.794 52.037 0.033 0.000 0.656 839 A CB -0.085 18.924 19.000 0.015 0.000 0.800 839 A HN -0.009 nan 8.150 nan 0.000 0.453 840 R N -0.346 120.180 120.500 0.044 0.000 2.287 840 R HA 0.302 4.644 4.340 0.003 0.000 0.316 840 R C -2.236 174.117 176.300 0.089 0.000 1.050 840 R CA -1.805 54.312 56.100 0.027 0.000 0.983 840 R CB 1.018 31.302 30.300 -0.027 0.000 1.140 840 R HN 0.144 nan 8.270 nan 0.000 0.528 841 P HA -0.138 nan 4.420 nan 0.000 0.221 841 P C 0.947 178.320 177.300 0.122 0.000 1.150 841 P CA 1.082 64.271 63.100 0.148 0.000 0.800 841 P CB 0.280 32.012 31.700 0.054 0.000 0.787 842 M N -1.650 117.972 119.600 0.037 0.000 2.394 842 M HA -0.008 4.474 4.480 0.003 0.000 0.264 842 M C 1.959 178.229 176.300 -0.050 0.000 1.073 842 M CA 1.175 56.469 55.300 -0.009 0.000 1.111 842 M CB -1.145 31.430 32.600 -0.042 0.000 1.401 842 M HN 0.033 nan 8.290 nan 0.000 0.448 843 I N -0.761 119.756 120.570 -0.087 0.000 2.439 843 I HA -0.260 3.912 4.170 0.003 0.000 0.251 843 I C 2.490 178.488 176.117 -0.199 0.000 1.139 843 I CA 0.868 62.056 61.300 -0.187 0.000 1.438 843 I CB -0.606 37.234 38.000 -0.267 0.000 1.085 843 I HN 0.344 nan 8.210 nan 0.000 0.427 844 H N 1.326 120.365 119.070 -0.052 0.000 2.389 844 H HA -0.135 4.422 4.556 0.003 0.000 0.299 844 H C 1.985 177.291 175.328 -0.035 0.000 1.081 844 H CA 1.730 57.754 56.048 -0.041 0.000 1.345 844 H CB -0.059 29.683 29.762 -0.033 0.000 1.393 844 H HN 0.569 nan 8.280 nan 0.000 0.520 845 E N 0.985 121.234 120.200 0.082 0.000 2.285 845 E HA -0.066 4.286 4.350 0.003 0.000 0.194 845 E C 2.243 178.846 176.600 0.004 0.000 0.997 845 E CA 0.284 56.706 56.400 0.037 0.000 0.845 845 E CB -0.237 29.480 29.700 0.029 0.000 0.782 845 E HN 0.324 nan 8.360 nan 0.000 0.491 846 L N 0.726 121.925 121.223 -0.039 0.000 2.072 846 L HA -0.065 4.277 4.340 0.003 0.000 0.205 846 L C 2.286 179.122 176.870 -0.057 0.000 1.079 846 L CA 0.874 55.664 54.840 -0.084 0.000 0.752 846 L CB -0.039 41.915 42.059 -0.174 0.000 0.906 846 L HN 0.166 nan 8.230 nan 0.000 0.436 847 L N -0.699 120.492 121.223 -0.053 0.000 2.017 847 L HA -0.203 4.138 4.340 0.003 0.000 0.208 847 L C 2.490 179.361 176.870 0.002 0.000 1.073 847 L CA 1.830 56.652 54.840 -0.030 0.000 0.745 847 L CB -1.022 41.010 42.059 -0.044 0.000 0.894 847 L HN 0.240 nan 8.230 nan 0.000 0.432 848 T N -1.082 113.481 114.554 0.014 0.000 2.833 848 T HA -0.220 4.132 4.350 0.003 0.000 0.269 848 T C 1.795 176.507 174.700 0.020 0.000 1.054 848 T CA 1.280 63.393 62.100 0.022 0.000 1.135 848 T CB -0.138 68.747 68.868 0.029 0.000 0.869 848 T HN 0.351 nan 8.240 nan 0.000 0.466 849 E N 0.687 120.899 120.200 0.020 0.000 2.072 849 E HA -0.094 4.257 4.350 0.003 0.000 0.191 849 E C 2.462 179.081 176.600 0.030 0.000 0.985 849 E CA 1.117 57.534 56.400 0.029 0.000 0.801 849 E CB -0.380 29.350 29.700 0.050 0.000 0.750 849 E HN 0.530 nan 8.360 nan 0.000 0.452 850 G N 0.632 109.448 108.800 0.027 0.000 2.534 850 G HA2 -0.203 3.759 3.960 0.003 0.000 0.217 850 G HA3 -0.203 3.759 3.960 0.003 0.000 0.217 850 G C 1.533 176.451 174.900 0.030 0.000 1.128 850 G CA 0.115 45.232 45.100 0.029 0.000 0.784 850 G HN 0.189 nan 8.290 nan 0.000 0.542 851 R N -0.111 120.406 120.500 0.028 0.000 2.159 851 R HA 0.027 4.368 4.340 0.003 0.000 0.237 851 R C 0.901 177.217 176.300 0.026 0.000 1.131 851 R CA 0.487 56.605 56.100 0.030 0.000 0.982 851 R CB -0.073 30.243 30.300 0.027 0.000 0.868 851 R HN 0.260 nan 8.270 nan 0.000 0.453 852 R N 0.673 121.186 120.500 0.022 0.000 2.500 852 R HA 0.197 4.539 4.340 0.003 0.000 0.277 852 R C -0.308 176.003 176.300 0.018 0.000 1.026 852 R CA -0.116 55.995 56.100 0.018 0.000 1.058 852 R CB 1.550 31.859 30.300 0.015 0.000 1.078 852 R HN 0.034 nan 8.270 nan 0.000 0.509 853 S N 1.552 117.261 115.700 0.015 0.000 2.776 853 S HA 0.241 4.713 4.470 0.003 0.000 0.284 853 S C -0.896 173.710 174.600 0.010 0.000 1.160 853 S CA -1.188 57.021 58.200 0.014 0.000 1.051 853 S CB 1.368 64.578 63.200 0.015 0.000 1.037 853 S HN 0.506 nan 8.310 nan 0.000 0.485 854 K N 1.863 122.268 120.400 0.008 0.000 3.777 854 K HA -0.175 4.147 4.320 0.003 0.000 0.276 854 K C 1.011 177.618 176.600 0.013 0.000 0.877 854 K CA 1.393 57.684 56.287 0.007 0.000 0.724 854 K CB -2.730 29.772 32.500 0.004 0.000 1.589 854 K HN 1.051 nan 8.250 nan 0.000 0.444 855 T N -3.083 111.479 114.554 0.013 0.000 3.286 855 T HA 0.168 4.520 4.350 0.003 0.000 0.237 855 T C 0.355 175.062 174.700 0.011 0.000 0.969 855 T CA -0.124 61.983 62.100 0.011 0.000 1.298 855 T CB 0.585 69.459 68.868 0.010 0.000 1.053 855 T HN 0.250 nan 8.240 nan 0.000 0.402 856 N N 0.482 119.188 118.700 0.011 0.000 3.270 856 N HA 0.196 4.938 4.740 0.003 0.000 0.227 856 N C -1.201 174.314 175.510 0.007 0.000 1.071 856 N CA -0.196 52.860 53.050 0.009 0.000 1.073 856 N CB 1.763 40.255 38.487 0.008 0.000 1.633 856 N HN 0.217 nan 8.380 nan 0.000 0.664 857 K N -0.552 119.852 120.400 0.008 0.000 3.509 857 K HA -0.168 4.153 4.320 0.003 0.000 0.302 857 K C 0.606 177.211 176.600 0.009 0.000 1.355 857 K CA 1.274 57.562 56.287 0.002 0.000 0.953 857 K CB -1.815 30.680 32.500 -0.008 0.000 1.321 857 K HN 0.623 nan 8.250 nan 0.000 0.461 858 A N 0.989 123.819 122.820 0.017 0.000 2.220 858 A HA 0.025 4.347 4.320 0.003 0.000 0.211 858 A C 1.893 179.499 177.584 0.037 0.000 1.176 858 A CA 1.048 53.100 52.037 0.026 0.000 0.834 858 A CB -0.067 18.947 19.000 0.024 0.000 0.868 858 A HN 0.453 nan 8.150 nan 0.000 0.488 859 K N -0.321 120.099 120.400 0.034 0.000 2.356 859 K HA -0.013 4.309 4.320 0.003 0.000 0.195 859 K C 1.494 178.128 176.600 0.056 0.000 1.037 859 K CA 1.340 57.651 56.287 0.042 0.000 1.014 859 K CB -0.456 32.063 32.500 0.032 0.000 0.815 859 K HN 0.280 nan 8.250 nan 0.000 0.507 860 T N -0.478 114.105 114.554 0.049 0.000 2.942 860 T HA 0.062 4.414 4.350 0.003 0.000 0.265 860 T C 1.890 176.653 174.700 0.105 0.000 1.062 860 T CA 0.382 62.517 62.100 0.058 0.000 1.139 860 T CB -0.234 68.643 68.868 0.016 0.000 0.883 860 T HN 0.132 nan 8.240 nan 0.000 0.468 861 L N 0.535 121.817 121.223 0.098 0.000 2.209 861 L HA 0.277 4.619 4.340 0.003 0.000 0.207 861 L C 3.242 180.259 176.870 0.245 0.000 1.094 861 L CA 0.804 55.753 54.840 0.181 0.000 0.790 861 L CB -0.570 41.551 42.059 0.105 0.000 0.932 861 L HN 0.356 nan 8.230 nan 0.000 0.447 862 A N 0.386 123.289 122.820 0.138 0.000 1.873 862 A HA -0.211 4.110 4.320 0.003 0.000 0.215 862 A C 2.442 180.082 177.584 0.092 0.000 1.186 862 A CA 2.296 54.389 52.037 0.094 0.000 0.616 862 A CB -0.955 18.078 19.000 0.055 0.000 0.823 862 A HN 0.485 nan 8.150 nan 0.000 0.442 863 T N -4.338 110.281 114.554 0.109 0.000 2.857 863 T HA -0.214 4.138 4.350 0.003 0.000 0.266 863 T C 1.675 176.446 174.700 0.119 0.000 1.048 863 T CA 1.457 63.612 62.100 0.091 0.000 1.139 863 T CB -0.574 68.346 68.868 0.086 0.000 0.874 863 T HN 0.632 nan 8.240 nan 0.000 0.455 864 W N 2.645 123.947 121.300 0.002 0.000 2.338 864 W HA 0.018 4.680 4.660 0.003 0.000 0.304 864 W C 2.552 179.073 176.519 0.003 0.000 1.212 864 W CA 1.519 58.866 57.345 0.004 0.000 1.264 864 W CB -0.712 28.750 29.460 0.003 0.000 1.142 864 W HN 0.359 nan 8.180 nan 0.000 0.512 865 A N -0.094 122.625 122.820 -0.169 0.000 1.902 865 A HA -0.202 4.120 4.320 0.003 0.000 0.217 865 A C 1.933 179.336 177.584 -0.302 0.000 1.181 865 A CA 2.559 54.342 52.037 -0.422 0.000 0.623 865 A CB -1.431 17.484 19.000 -0.141 0.000 0.818 865 A HN 0.335 nan 8.150 nan 0.000 0.443 866 T N -0.280 114.188 114.554 -0.143 0.000 2.720 866 T HA -0.173 4.179 4.350 0.003 0.000 0.268 866 T C 1.963 176.596 174.700 -0.111 0.000 1.037 866 T CA 1.724 63.769 62.100 -0.092 0.000 1.144 866 T CB -0.190 68.661 68.868 -0.028 0.000 0.864 866 T HN 0.629 nan 8.240 nan 0.000 0.444 867 K N 0.873 121.194 120.400 -0.132 0.000 2.002 867 K HA -0.148 4.174 4.320 0.003 0.000 0.209 867 K C 2.254 178.747 176.600 -0.177 0.000 1.048 867 K CA 1.316 57.533 56.287 -0.117 0.000 0.930 867 K CB -0.024 32.432 32.500 -0.074 0.000 0.714 867 K HN 0.151 nan 8.250 nan 0.000 0.438 868 E N 0.965 120.959 120.200 -0.342 0.000 2.160 868 E HA -0.201 4.150 4.350 0.003 0.000 0.195 868 E C 2.140 178.609 176.600 -0.218 0.000 0.991 868 E CA 0.886 57.081 56.400 -0.341 0.000 0.810 868 E CB -0.163 29.158 29.700 -0.632 0.000 0.742 868 E HN 0.404 nan 8.360 nan 0.000 0.466 869 L N 0.333 121.434 121.223 -0.203 0.000 2.044 869 L HA -0.109 4.233 4.340 0.003 0.000 0.205 869 L C 2.858 179.688 176.870 -0.067 0.000 1.075 869 L CA 0.976 55.745 54.840 -0.118 0.000 0.747 869 L CB -0.234 41.764 42.059 -0.102 0.000 0.903 869 L HN 0.050 nan 8.230 nan 0.000 0.435 870 R N 0.564 121.026 120.500 -0.063 0.000 2.105 870 R HA -0.199 4.143 4.340 0.003 0.000 0.239 870 R C 2.082 178.362 176.300 -0.033 0.000 1.135 870 R CA 1.466 57.545 56.100 -0.035 0.000 0.967 870 R CB -0.034 30.248 30.300 -0.030 0.000 0.861 870 R HN 0.286 nan 8.270 nan 0.000 0.442 871 K N 0.371 120.744 120.400 -0.046 0.000 2.442 871 K HA -0.060 4.262 4.320 0.003 0.000 0.198 871 K C 0.799 177.385 176.600 -0.024 0.000 1.044 871 K CA 0.536 56.803 56.287 -0.033 0.000 0.948 871 K CB -0.004 32.472 32.500 -0.039 0.000 0.762 871 K HN 0.274 nan 8.250 nan 0.000 0.472 872 L N 1.899 123.106 121.223 -0.027 0.000 2.821 872 L HA 0.061 4.403 4.340 0.003 0.000 0.239 872 L C -0.098 176.768 176.870 -0.007 0.000 1.391 872 L CA 0.267 55.099 54.840 -0.015 0.000 1.231 872 L CB -0.438 41.612 42.059 -0.015 0.000 1.598 872 L HN 0.076 nan 8.230 nan 0.000 0.428 873 K N 0.000 120.396 120.400 -0.006 0.000 2.780 873 K HA 0.000 4.322 4.320 0.003 0.000 0.191 873 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 873 K CB 0.000 32.497 32.500 -0.004 0.000 1.064 873 K HN 0.000 nan 8.250 nan 0.000 0.543