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 2oce_1_A DATA FIRST_RESID 2 DATA SEQUENCE DSINTRIAEE LSALPSGRVQ PQQVAAAVAL LDEGSTVPFI ARYRKEVTGS DATA SEQUENCE LDDTQLRMLE ERLRYLRELE ERRGAILASI EEQGKLTPEL ARDIKLADTK DATA SEQUENCE TRLEDLYLPY KQKRRTKGQI ALEAGLGALA DALFDDPTLV PESEAARFVD DATA SEQUENCE AEKGFADVKA VLEGAKYILM ERFAEDATLL DKLRVFMKNE ATLTARVVPG DATA SEQUENCE KEQEGAKFSD YFEHDEPLKS APSHRALAIF RGRNEGVLSA SLKVGEEAPG DATA SEQUENCE TLHPCEVMIA ERFGLSNQGR AADKWLAEVV RWTWKVKLYT HLETDLFGEL DATA SEQUENCE RDGAEDEAIS VFARNLHDLL LAAPAGPRAT LGLDPGLRTG VKVAVVDATG DATA SEQUENCE KLLDTATVYP HAPKNQWDQT LAVLAALCAK HQVELIAIGN GTASRETDKL DATA SEQUENCE AGELIKKYPG MKLTKIMVSE AGASVYSASE LAAKEFPELD VSLRGAVSIA DATA SEQUENCE RRLQDPLAEL VKIEPKSIGV GQYQHDVSQL KLARSLDAVV EDCVNAVGVD DATA SEQUENCE VNTASAALLA RISGLNSTLA QNIVAHRDAN GAFRTRDELK KVSRLGEKTF DATA SEQUENCE EQAAGFLRVM NGDNPLDASA VHPETYPLVQ RIAADTERDI RSLIGDSAFL DATA SEQUENCE KRLDPKKFTD ETFGLPTVTD ILKELDKPGR DPRPEFKTAE FQEGVESLKD DATA SEQUENCE LKPGMVLEGV VTNVTNFGAF VDIGVHQDGL VHISALSEKF VKDPYEVVKA DATA SEQUENCE GDIVKVKVME VDIPRNRVGL SMRMSDTPG 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.301 176.300 0.002 0.000 2.045 2 D CA 0.000 54.000 54.000 0.000 0.000 0.868 2 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 3 S N 0.084 115.785 115.700 0.002 0.000 2.577 3 S HA 0.283 4.762 4.470 0.015 0.000 0.219 3 S C 1.606 176.211 174.600 0.009 0.000 0.962 3 S CA -0.178 58.025 58.200 0.005 0.000 0.921 3 S CB -0.029 63.173 63.200 0.003 0.000 0.789 3 S HN 0.223 nan 8.310 nan 0.000 0.497 4 I N 1.855 122.431 120.570 0.008 0.000 2.703 4 I HA -0.042 4.137 4.170 0.015 0.000 0.259 4 I C 1.809 177.936 176.117 0.017 0.000 1.151 4 I CA 0.350 61.658 61.300 0.014 0.000 1.470 4 I CB -0.268 37.739 38.000 0.011 0.000 1.112 4 I HN 0.280 nan 8.210 nan 0.000 0.437 5 N N 0.641 119.349 118.700 0.012 0.000 2.149 5 N HA -0.143 4.606 4.740 0.015 0.000 0.188 5 N C 1.774 177.291 175.510 0.012 0.000 1.019 5 N CA 1.645 54.702 53.050 0.012 0.000 0.857 5 N CB -0.658 37.834 38.487 0.008 0.000 0.997 5 N HN 0.280 nan 8.380 nan 0.000 0.426 6 T N 1.133 115.694 114.554 0.011 0.000 2.643 6 T HA -0.148 4.211 4.350 0.015 0.000 0.264 6 T C 2.028 176.737 174.700 0.014 0.000 1.045 6 T CA 1.368 63.475 62.100 0.010 0.000 1.155 6 T CB -0.153 68.721 68.868 0.009 0.000 0.863 6 T HN 0.187 nan 8.240 nan 0.000 0.420 7 R N 0.924 121.436 120.500 0.020 0.000 2.159 7 R HA 0.054 4.403 4.340 0.015 0.000 0.237 7 R C 2.087 178.402 176.300 0.026 0.000 1.131 7 R CA 1.226 57.342 56.100 0.026 0.000 0.982 7 R CB -0.661 29.662 30.300 0.039 0.000 0.868 7 R HN 0.477 nan 8.270 nan 0.000 0.453 8 I N -0.244 120.341 120.570 0.025 0.000 2.400 8 I HA -0.065 4.115 4.170 0.015 0.000 0.248 8 I C 2.305 178.430 176.117 0.013 0.000 1.109 8 I CA 0.781 62.094 61.300 0.022 0.000 1.425 8 I CB -0.544 37.471 38.000 0.024 0.000 1.094 8 I HN 0.282 nan 8.210 nan 0.000 0.425 9 A N 0.996 123.823 122.820 0.011 0.000 1.859 9 A HA -0.264 4.066 4.320 0.015 0.000 0.218 9 A C 2.209 179.795 177.584 0.004 0.000 1.209 9 A CA 1.862 53.903 52.037 0.006 0.000 0.639 9 A CB -0.654 18.349 19.000 0.005 0.000 0.835 9 A HN 0.319 nan 8.150 nan 0.000 0.450 10 E N -0.380 119.822 120.200 0.005 0.000 2.209 10 E HA -0.157 4.202 4.350 0.015 0.000 0.196 10 E C 1.999 178.598 176.600 -0.001 0.000 0.993 10 E CA 0.966 57.367 56.400 0.002 0.000 0.819 10 E CB -0.205 29.496 29.700 0.003 0.000 0.745 10 E HN 0.589 nan 8.360 nan 0.000 0.477 11 E N 0.386 120.587 120.200 0.001 0.000 2.028 11 E HA -0.056 4.303 4.350 0.015 0.000 0.190 11 E C 2.416 179.013 176.600 -0.006 0.000 0.984 11 E CA 0.338 56.735 56.400 -0.004 0.000 0.800 11 E CB -0.367 29.331 29.700 -0.003 0.000 0.758 11 E HN 0.281 nan 8.360 nan 0.000 0.448 12 L N 0.880 122.102 121.223 -0.002 0.000 2.042 12 L HA -0.163 4.186 4.340 0.015 0.000 0.210 12 L C 2.208 179.075 176.870 -0.005 0.000 1.076 12 L CA 1.124 55.962 54.840 -0.003 0.000 0.749 12 L CB -0.490 41.570 42.059 0.000 0.000 0.893 12 L HN -0.008 nan 8.230 nan 0.000 0.432 13 S N -0.234 115.463 115.700 -0.004 0.000 2.584 13 S HA -0.011 4.468 4.470 0.015 0.000 0.240 13 S C 1.549 176.145 174.600 -0.008 0.000 0.975 13 S CA 0.768 58.965 58.200 -0.005 0.000 0.949 13 S CB -0.134 63.063 63.200 -0.004 0.000 0.761 13 S HN 0.467 nan 8.310 nan 0.000 0.536 14 A N 0.100 122.915 122.820 -0.009 0.000 2.348 14 A HA 0.455 4.784 4.320 0.015 0.000 0.224 14 A C 0.190 177.767 177.584 -0.012 0.000 1.227 14 A CA -0.108 51.922 52.037 -0.011 0.000 0.885 14 A CB 0.151 19.144 19.000 -0.013 0.000 0.933 14 A HN 0.292 nan 8.150 nan 0.000 0.506 15 L N -0.913 120.304 121.223 -0.011 0.000 2.344 15 L HA 0.440 4.789 4.340 0.015 0.000 0.272 15 L C -1.420 175.445 176.870 -0.009 0.000 1.035 15 L CA -1.832 53.001 54.840 -0.011 0.000 0.807 15 L CB 0.698 42.750 42.059 -0.011 0.000 1.237 15 L HN -0.080 nan 8.230 nan 0.000 0.442 16 P HA -0.199 nan 4.420 nan 0.000 0.218 16 P C 1.484 178.780 177.300 -0.007 0.000 1.152 16 P CA 1.525 64.621 63.100 -0.006 0.000 0.857 16 P CB 0.234 31.931 31.700 -0.005 0.000 0.787 17 S N -1.293 114.403 115.700 -0.008 0.000 2.393 17 S HA -0.094 4.385 4.470 0.015 0.000 0.235 17 S C 1.399 175.994 174.600 -0.007 0.000 1.061 17 S CA 1.582 59.777 58.200 -0.008 0.000 1.129 17 S CB -1.206 61.989 63.200 -0.008 0.000 1.011 17 S HN 0.551 nan 8.310 nan 0.000 0.436 18 G N 0.372 109.167 108.800 -0.007 0.000 2.291 18 G HA2 0.243 4.212 3.960 0.015 0.000 0.249 18 G HA3 0.243 4.212 3.960 0.015 0.000 0.249 18 G C -1.185 173.711 174.900 -0.007 0.000 1.340 18 G CA -0.533 44.562 45.100 -0.007 0.000 1.017 18 G HN 0.446 nan 8.290 nan 0.000 0.470 19 R N -0.314 120.182 120.500 -0.006 0.000 2.312 19 R HA 0.678 5.027 4.340 0.015 0.000 0.311 19 R C -0.716 175.582 176.300 -0.005 0.000 1.004 19 R CA -0.356 55.741 56.100 -0.005 0.000 0.902 19 R CB 1.517 31.814 30.300 -0.005 0.000 1.073 19 R HN 0.521 nan 8.270 nan 0.000 0.457 20 V N 4.912 124.824 119.914 -0.003 0.000 2.513 20 V HA 0.292 4.422 4.120 0.015 0.000 0.299 20 V C -0.314 175.779 176.094 -0.001 0.000 1.035 20 V CA -0.758 61.540 62.300 -0.002 0.000 0.889 20 V CB 1.764 33.587 31.823 -0.001 0.000 0.988 20 V HN 0.805 nan 8.190 nan 0.000 0.440 21 Q N 5.120 124.919 119.800 -0.001 0.000 2.267 21 Q HA 0.258 4.607 4.340 0.015 0.000 0.255 21 Q C -1.744 174.256 176.000 0.001 0.000 0.923 21 Q CA -1.686 54.117 55.803 -0.001 0.000 0.925 21 Q CB 1.606 30.343 28.738 -0.002 0.000 1.195 21 Q HN 0.419 nan 8.270 nan 0.000 0.417 22 P HA -0.306 nan 4.420 nan 0.000 0.218 22 P C 0.983 178.285 177.300 0.003 0.000 1.146 22 P CA 1.395 64.496 63.100 0.003 0.000 0.820 22 P CB 0.233 31.935 31.700 0.003 0.000 0.778 23 Q N -0.382 119.418 119.800 0.001 0.000 2.119 23 Q HA -0.184 4.166 4.340 0.015 0.000 0.201 23 Q C 1.916 177.916 176.000 0.001 0.000 0.972 23 Q CA 1.425 57.228 55.803 0.000 0.000 0.847 23 Q CB -1.130 27.607 28.738 -0.002 0.000 0.903 23 Q HN 0.431 nan 8.270 nan 0.000 0.433 24 Q N 0.708 120.508 119.800 0.001 0.000 2.020 24 Q HA -0.082 4.267 4.340 0.015 0.000 0.202 24 Q C 2.408 178.411 176.000 0.005 0.000 0.982 24 Q CA 1.704 57.508 55.803 0.001 0.000 0.838 24 Q CB -0.186 28.552 28.738 -0.000 0.000 0.899 24 Q HN 0.203 nan 8.270 nan 0.000 0.423 25 V N 1.279 121.197 119.914 0.006 0.000 2.469 25 V HA -0.293 3.836 4.120 0.015 0.000 0.251 25 V C 2.248 178.348 176.094 0.011 0.000 1.064 25 V CA 1.688 63.994 62.300 0.010 0.000 1.066 25 V CB -0.988 30.841 31.823 0.011 0.000 0.667 25 V HN 0.399 nan 8.190 nan 0.000 0.461 26 A N 0.092 122.917 122.820 0.008 0.000 1.858 26 A HA -0.127 4.202 4.320 0.015 0.000 0.216 26 A C 2.472 180.061 177.584 0.009 0.000 1.190 26 A CA 2.124 54.165 52.037 0.007 0.000 0.617 26 A CB -0.893 18.110 19.000 0.004 0.000 0.827 26 A HN 0.559 nan 8.150 nan 0.000 0.443 27 A N -0.082 122.743 122.820 0.007 0.000 1.865 27 A HA 0.094 4.424 4.320 0.015 0.000 0.217 27 A C 2.562 180.157 177.584 0.018 0.000 1.191 27 A CA 2.530 54.573 52.037 0.009 0.000 0.623 27 A CB -1.254 17.748 19.000 0.005 0.000 0.826 27 A HN 1.193 nan 8.150 nan 0.000 0.444 28 A N -0.681 122.151 122.820 0.019 0.000 1.917 28 A HA -0.083 4.246 4.320 0.015 0.000 0.219 28 A C 2.210 179.813 177.584 0.031 0.000 1.182 28 A CA 2.056 54.110 52.037 0.028 0.000 0.633 28 A CB -1.023 17.992 19.000 0.024 0.000 0.819 28 A HN 0.499 nan 8.150 nan 0.000 0.448 29 V N -0.447 119.481 119.914 0.023 0.000 2.626 29 V HA -0.169 3.960 4.120 0.015 0.000 0.252 29 V C 2.916 179.021 176.094 0.020 0.000 1.067 29 V CA 1.637 63.950 62.300 0.021 0.000 1.081 29 V CB -1.030 30.803 31.823 0.016 0.000 0.686 29 V HN 0.622 nan 8.190 nan 0.000 0.468 30 A N -0.359 122.472 122.820 0.019 0.000 2.014 30 A HA -0.041 4.288 4.320 0.015 0.000 0.218 30 A C 2.178 179.776 177.584 0.023 0.000 1.163 30 A CA 1.295 53.342 52.037 0.016 0.000 0.652 30 A CB -0.314 18.694 19.000 0.013 0.000 0.808 30 A HN 0.507 nan 8.150 nan 0.000 0.449 31 L N -0.859 120.385 121.223 0.036 0.000 2.095 31 L HA -0.074 4.275 4.340 0.015 0.000 0.204 31 L C 2.506 179.405 176.870 0.048 0.000 1.080 31 L CA 0.677 55.550 54.840 0.055 0.000 0.759 31 L CB -0.501 41.610 42.059 0.086 0.000 0.914 31 L HN 0.345 nan 8.230 nan 0.000 0.439 32 L N -0.200 121.048 121.223 0.043 0.000 1.970 32 L HA -0.260 4.089 4.340 0.015 0.000 0.212 32 L C 2.178 179.057 176.870 0.016 0.000 1.071 32 L CA 1.341 56.201 54.840 0.033 0.000 0.751 32 L CB -0.695 41.383 42.059 0.031 0.000 0.889 32 L HN 0.269 nan 8.230 nan 0.000 0.432 33 D N -0.287 120.121 120.400 0.013 0.000 2.265 33 D HA -0.201 4.448 4.640 0.015 0.000 0.208 33 D C 1.593 177.894 176.300 0.001 0.000 0.977 33 D CA 0.950 54.953 54.000 0.005 0.000 0.871 33 D CB -0.129 40.674 40.800 0.005 0.000 0.925 33 D HN 0.364 nan 8.370 nan 0.000 0.485 34 E N -0.410 119.793 120.200 0.005 0.000 2.320 34 E HA 0.195 4.554 4.350 0.015 0.000 0.189 34 E C 0.954 177.546 176.600 -0.013 0.000 1.100 34 E CA 0.065 56.464 56.400 -0.001 0.000 1.009 34 E CB -0.418 29.286 29.700 0.007 0.000 1.145 34 E HN 0.242 nan 8.360 nan 0.000 0.454 35 G N 0.591 109.382 108.800 -0.015 0.000 2.196 35 G HA2 -0.334 3.635 3.960 0.015 0.000 0.268 35 G HA3 -0.334 3.635 3.960 0.015 0.000 0.268 35 G C 0.445 175.313 174.900 -0.052 0.000 0.975 35 G CA 0.701 45.782 45.100 -0.032 0.000 0.648 35 G HN 0.377 nan 8.290 nan 0.000 0.538 36 S N 0.420 116.100 115.700 -0.033 0.000 2.593 36 S HA 0.554 5.033 4.470 0.015 0.000 0.269 36 S C 0.798 175.409 174.600 0.019 0.000 1.334 36 S CA 0.447 58.626 58.200 -0.036 0.000 1.015 36 S CB 1.205 64.464 63.200 0.097 0.000 0.912 36 S HN 1.158 nan 8.310 nan 0.000 0.541 37 T N -1.294 113.288 114.554 0.048 0.000 2.902 37 T HA 0.450 4.809 4.350 0.015 0.000 0.283 37 T C 1.258 176.044 174.700 0.143 0.000 1.009 37 T CA -0.957 61.179 62.100 0.060 0.000 1.051 37 T CB 0.988 69.852 68.868 -0.007 0.000 0.999 37 T HN 0.154 nan 8.240 nan 0.000 0.474 38 V N 3.116 123.078 119.914 0.081 0.000 2.219 38 V HA -0.104 4.025 4.120 0.015 0.000 0.248 38 V C -0.092 176.070 176.094 0.114 0.000 1.053 38 V CA 2.093 64.445 62.300 0.087 0.000 1.009 38 V CB -1.596 30.255 31.823 0.047 0.000 0.636 38 V HN 0.858 nan 8.190 nan 0.000 0.445 39 P HA -0.266 nan 4.420 nan 0.000 0.218 39 P C 1.715 179.195 177.300 0.301 0.000 1.150 39 P CA 2.010 65.160 63.100 0.084 0.000 0.841 39 P CB -0.228 31.385 31.700 -0.146 0.000 0.784 40 F N 0.638 120.698 119.950 0.184 0.000 2.113 40 F HA -0.103 4.433 4.527 0.015 0.000 0.297 40 F C 2.360 178.359 175.800 0.332 0.000 1.103 40 F CA 1.271 59.522 58.000 0.419 0.000 1.248 40 F CB -0.810 38.342 39.000 0.253 0.000 0.999 40 F HN -0.287 nan 8.300 nan 0.000 0.475 41 I N 0.359 121.045 120.570 0.193 0.000 2.252 41 I HA -0.259 3.921 4.170 0.015 0.000 0.245 41 I C 2.577 178.673 176.117 -0.035 0.000 1.102 41 I CA 1.203 62.526 61.300 0.038 0.000 1.385 41 I CB -0.938 37.132 38.000 0.116 0.000 1.064 41 I HN 0.208 nan 8.210 nan 0.000 0.414 42 A N 0.065 122.895 122.820 0.016 0.000 2.178 42 A HA -0.123 4.206 4.320 0.015 0.000 0.218 42 A C 2.314 179.847 177.584 -0.085 0.000 1.157 42 A CA 1.302 53.331 52.037 -0.015 0.000 0.689 42 A CB -0.274 18.740 19.000 0.024 0.000 0.787 42 A HN 0.257 nan 8.150 nan 0.000 0.465 43 R N -2.020 118.391 120.500 -0.148 0.000 2.107 43 R HA 0.167 4.516 4.340 0.015 0.000 0.195 43 R C 0.339 176.221 176.300 -0.697 0.000 1.214 43 R CA 0.970 56.809 56.100 -0.436 0.000 1.129 43 R CB -0.419 29.591 30.300 -0.483 0.000 1.045 43 R HN 0.558 nan 8.270 nan 0.000 0.489 44 Y N 0.271 120.336 120.300 -0.393 0.000 2.683 44 Y HA 0.367 4.926 4.550 0.015 0.000 0.297 44 Y C 0.889 176.540 175.900 -0.416 0.000 1.147 44 Y CA -0.067 57.762 58.100 -0.452 0.000 1.274 44 Y CB 0.570 38.644 38.460 -0.643 0.000 1.143 44 Y HN -0.210 nan 8.280 nan 0.000 0.527 45 R N -0.264 120.108 120.500 -0.215 0.000 2.471 45 R HA 0.063 4.412 4.340 0.015 0.000 0.326 45 R C 1.517 177.771 176.300 -0.077 0.000 0.875 45 R CA 0.013 56.041 56.100 -0.120 0.000 1.102 45 R CB 0.065 30.317 30.300 -0.080 0.000 1.749 45 R HN 0.354 nan 8.270 nan 0.000 0.487 46 K N 0.532 120.878 120.400 -0.091 0.000 2.242 46 K HA -0.242 4.087 4.320 0.015 0.000 0.206 46 K C 1.228 177.803 176.600 -0.041 0.000 1.045 46 K CA 1.697 57.947 56.287 -0.062 0.000 0.930 46 K CB 0.178 32.635 32.500 -0.072 0.000 0.726 46 K HN -0.066 nan 8.250 nan 0.000 0.462 47 E N 1.528 121.704 120.200 -0.040 0.000 2.015 47 E HA -0.102 4.258 4.350 0.015 0.000 0.191 47 E C 1.967 178.550 176.600 -0.027 0.000 0.991 47 E CA 1.363 57.746 56.400 -0.029 0.000 0.802 47 E CB -0.137 29.547 29.700 -0.026 0.000 0.759 47 E HN 0.179 nan 8.360 nan 0.000 0.447 48 V N 0.333 120.228 119.914 -0.032 0.000 3.140 48 V HA -0.179 3.950 4.120 0.015 0.000 0.269 48 V C 1.530 177.617 176.094 -0.013 0.000 1.149 48 V CA 2.017 64.303 62.300 -0.023 0.000 1.162 48 V CB -0.716 31.096 31.823 -0.019 0.000 0.756 48 V HN 0.273 nan 8.190 nan 0.000 0.523 49 T N -1.402 113.143 114.554 -0.014 0.000 2.989 49 T HA 0.414 4.773 4.350 0.015 0.000 0.250 49 T C 1.191 175.884 174.700 -0.011 0.000 0.981 49 T CA 0.625 62.719 62.100 -0.009 0.000 0.980 49 T CB 0.893 69.757 68.868 -0.007 0.000 1.133 49 T HN 0.754 nan 8.240 nan 0.000 0.489 50 G N 2.027 110.818 108.800 -0.016 0.000 2.742 50 G HA2 -0.123 3.846 3.960 0.015 0.000 0.257 50 G HA3 -0.123 3.846 3.960 0.015 0.000 0.257 50 G C 0.251 175.141 174.900 -0.016 0.000 1.143 50 G CA -0.117 44.974 45.100 -0.014 0.000 1.064 50 G HN 0.485 nan 8.290 nan 0.000 0.529 51 S N -1.424 114.263 115.700 -0.023 0.000 3.491 51 S HA -0.207 4.272 4.470 0.015 0.000 0.371 51 S C 0.888 175.476 174.600 -0.021 0.000 0.980 51 S CA 1.127 59.311 58.200 -0.026 0.000 1.204 51 S CB -0.887 62.298 63.200 -0.024 0.000 0.915 51 S HN 0.925 nan 8.310 nan 0.000 0.482 52 L N 2.291 123.503 121.223 -0.018 0.000 2.305 52 L HA 0.285 4.635 4.340 0.015 0.000 0.281 52 L C 0.926 177.789 176.870 -0.012 0.000 1.085 52 L CA -0.496 54.337 54.840 -0.011 0.000 0.813 52 L CB 0.555 42.612 42.059 -0.004 0.000 1.157 52 L HN 0.411 nan 8.230 nan 0.000 0.436 53 D N 1.853 122.247 120.400 -0.009 0.000 2.388 53 D HA 0.071 4.721 4.640 0.015 0.000 0.254 53 D C 0.145 176.446 176.300 0.003 0.000 1.111 53 D CA -0.631 53.365 54.000 -0.007 0.000 0.993 53 D CB 1.269 42.064 40.800 -0.009 0.000 1.118 53 D HN 0.417 nan 8.370 nan 0.000 0.502 54 D N 0.412 120.817 120.400 0.009 0.000 2.127 54 D HA -0.174 4.475 4.640 0.015 0.000 0.190 54 D C 1.867 178.174 176.300 0.011 0.000 1.000 54 D CA 1.880 55.891 54.000 0.019 0.000 0.839 54 D CB -0.617 40.200 40.800 0.029 0.000 0.955 54 D HN 0.475 nan 8.370 nan 0.000 0.446 55 T N 1.642 116.197 114.554 0.001 0.000 2.721 55 T HA -0.225 4.135 4.350 0.015 0.000 0.268 55 T C 2.071 176.770 174.700 -0.002 0.000 1.038 55 T CA 1.441 63.538 62.100 -0.006 0.000 1.145 55 T CB -0.223 68.635 68.868 -0.017 0.000 0.858 55 T HN 0.304 nan 8.240 nan 0.000 0.459 56 Q N 0.217 120.017 119.800 -0.001 0.000 1.994 56 Q HA 0.069 4.418 4.340 0.015 0.000 0.198 56 Q C 2.554 178.558 176.000 0.007 0.000 0.976 56 Q CA 1.046 56.849 55.803 0.001 0.000 0.828 56 Q CB -0.392 28.346 28.738 -0.000 0.000 0.894 56 Q HN 0.436 nan 8.270 nan 0.000 0.432 57 L N 0.558 121.788 121.223 0.012 0.000 2.013 57 L HA -0.250 4.100 4.340 0.015 0.000 0.212 57 L C 2.607 179.489 176.870 0.020 0.000 1.073 57 L CA 1.063 55.915 54.840 0.020 0.000 0.753 57 L CB -0.546 41.529 42.059 0.027 0.000 0.890 57 L HN 0.210 nan 8.230 nan 0.000 0.432 58 R N -0.381 120.130 120.500 0.018 0.000 2.091 58 R HA -0.196 4.153 4.340 0.015 0.000 0.238 58 R C 2.120 178.429 176.300 0.015 0.000 1.136 58 R CA 1.685 57.796 56.100 0.018 0.000 0.959 58 R CB -0.727 29.583 30.300 0.017 0.000 0.856 58 R HN 0.441 nan 8.270 nan 0.000 0.437 59 M N 0.388 119.993 119.600 0.009 0.000 2.200 59 M HA -0.099 4.391 4.480 0.015 0.000 0.265 59 M C 2.236 178.543 176.300 0.011 0.000 1.066 59 M CA 1.204 56.507 55.300 0.004 0.000 1.127 59 M CB -0.054 32.544 32.600 -0.003 0.000 1.379 59 M HN 0.158 nan 8.290 nan 0.000 0.420 60 L N 0.215 121.447 121.223 0.015 0.000 2.012 60 L HA -0.262 4.088 4.340 0.015 0.000 0.210 60 L C 2.215 179.102 176.870 0.028 0.000 1.073 60 L CA 2.101 56.953 54.840 0.021 0.000 0.748 60 L CB -0.527 41.544 42.059 0.020 0.000 0.891 60 L HN 0.420 nan 8.230 nan 0.000 0.431 61 E N -0.397 119.819 120.200 0.027 0.000 2.097 61 E HA -0.320 4.039 4.350 0.015 0.000 0.196 61 E C 1.996 178.617 176.600 0.036 0.000 1.000 61 E CA 1.768 58.186 56.400 0.030 0.000 0.804 61 E CB 0.040 29.756 29.700 0.027 0.000 0.740 61 E HN 0.521 nan 8.360 nan 0.000 0.454 62 E N 0.125 120.344 120.200 0.033 0.000 2.028 62 E HA -0.074 4.285 4.350 0.015 0.000 0.190 62 E C 2.095 178.735 176.600 0.068 0.000 0.984 62 E CA 0.989 57.414 56.400 0.041 0.000 0.800 62 E CB 0.049 29.761 29.700 0.021 0.000 0.758 62 E HN 0.130 nan 8.360 nan 0.000 0.448 63 R N 0.390 120.922 120.500 0.052 0.000 2.159 63 R HA -0.120 4.229 4.340 0.015 0.000 0.237 63 R C 2.412 178.781 176.300 0.115 0.000 1.131 63 R CA 0.653 56.804 56.100 0.084 0.000 0.982 63 R CB -0.704 29.624 30.300 0.046 0.000 0.868 63 R HN 0.304 nan 8.270 nan 0.000 0.453 64 L N 0.781 122.048 121.223 0.074 0.000 1.994 64 L HA -0.193 4.156 4.340 0.015 0.000 0.208 64 L C 2.751 179.659 176.870 0.062 0.000 1.071 64 L CA 1.573 56.448 54.840 0.058 0.000 0.745 64 L CB -0.327 41.756 42.059 0.040 0.000 0.892 64 L HN 0.166 nan 8.230 nan 0.000 0.431 65 R N -1.221 119.320 120.500 0.068 0.000 2.083 65 R HA -0.271 4.079 4.340 0.015 0.000 0.237 65 R C 2.373 178.718 176.300 0.076 0.000 1.137 65 R CA 2.227 58.363 56.100 0.060 0.000 0.951 65 R CB -0.632 29.704 30.300 0.061 0.000 0.851 65 R HN 0.408 nan 8.270 nan 0.000 0.434 66 Y N 1.089 121.390 120.300 0.000 0.000 2.128 66 Y HA -0.226 4.334 4.550 0.015 0.000 0.284 66 Y C 1.994 177.893 175.900 -0.001 0.000 1.154 66 Y CA 1.747 59.847 58.100 -0.000 0.000 1.149 66 Y CB -0.419 38.042 38.460 0.000 0.000 0.976 66 Y HN 0.042 nan 8.280 nan 0.000 0.505 67 L N -0.098 121.144 121.223 0.030 0.000 2.083 67 L HA -0.233 4.117 4.340 0.015 0.000 0.209 67 L C 2.660 179.458 176.870 -0.119 0.000 1.083 67 L CA 1.543 56.342 54.840 -0.068 0.000 0.752 67 L CB -0.397 41.695 42.059 0.056 0.000 0.899 67 L HN 0.153 nan 8.230 nan 0.000 0.433 68 R N -0.438 120.020 120.500 -0.070 0.000 2.115 68 R HA -0.150 4.199 4.340 0.015 0.000 0.230 68 R C 2.121 178.361 176.300 -0.100 0.000 1.111 68 R CA 1.165 57.226 56.100 -0.066 0.000 0.976 68 R CB -0.105 30.175 30.300 -0.033 0.000 0.870 68 R HN 0.466 nan 8.270 nan 0.000 0.445 69 E N 0.456 120.571 120.200 -0.142 0.000 2.072 69 E HA -0.203 4.156 4.350 0.015 0.000 0.191 69 E C 1.874 178.356 176.600 -0.197 0.000 0.985 69 E CA 0.893 57.201 56.400 -0.154 0.000 0.801 69 E CB -0.116 29.480 29.700 -0.173 0.000 0.750 69 E HN 0.103 nan 8.360 nan 0.000 0.452 70 L N 1.602 122.642 121.223 -0.305 0.000 2.079 70 L HA -0.226 4.123 4.340 0.015 0.000 0.210 70 L C 2.171 178.949 176.870 -0.153 0.000 1.081 70 L CA 1.909 56.587 54.840 -0.271 0.000 0.752 70 L CB -0.233 41.626 42.059 -0.333 0.000 0.896 70 L HN -0.000 nan 8.230 nan 0.000 0.433 71 E N -0.246 119.879 120.200 -0.125 0.000 2.076 71 E HA -0.184 4.176 4.350 0.015 0.000 0.190 71 E C 2.075 178.627 176.600 -0.079 0.000 0.979 71 E CA 1.405 57.755 56.400 -0.084 0.000 0.807 71 E CB -0.112 29.550 29.700 -0.064 0.000 0.761 71 E HN 0.612 nan 8.360 nan 0.000 0.454 72 E N -0.308 119.844 120.200 -0.081 0.000 2.051 72 E HA -0.224 4.136 4.350 0.015 0.000 0.192 72 E C 2.113 178.665 176.600 -0.080 0.000 0.991 72 E CA 1.286 57.645 56.400 -0.070 0.000 0.799 72 E CB -0.101 29.562 29.700 -0.061 0.000 0.748 72 E HN -0.017 nan 8.360 nan 0.000 0.449 73 R N 1.341 121.786 120.500 -0.092 0.000 2.148 73 R HA -0.080 4.270 4.340 0.015 0.000 0.227 73 R C 2.025 178.253 176.300 -0.121 0.000 1.103 73 R CA 1.396 57.436 56.100 -0.099 0.000 0.983 73 R CB -0.212 30.032 30.300 -0.093 0.000 0.874 73 R HN 0.011 nan 8.270 nan 0.000 0.451 74 R N -0.687 119.749 120.500 -0.107 0.000 2.120 74 R HA -0.053 4.296 4.340 0.015 0.000 0.234 74 R C 1.916 178.149 176.300 -0.112 0.000 1.123 74 R CA 1.663 57.700 56.100 -0.105 0.000 0.975 74 R CB -0.619 29.634 30.300 -0.078 0.000 0.866 74 R HN 0.396 nan 8.270 nan 0.000 0.446 75 G N -0.066 108.675 108.800 -0.097 0.000 2.394 75 G HA2 -0.210 3.759 3.960 0.015 0.000 0.214 75 G HA3 -0.210 3.759 3.960 0.015 0.000 0.214 75 G C 1.528 176.362 174.900 -0.109 0.000 1.176 75 G CA 0.560 45.606 45.100 -0.089 0.000 0.786 75 G HN 0.440 nan 8.290 nan 0.000 0.533 76 A N 0.600 123.348 122.820 -0.119 0.000 1.986 76 A HA -0.013 4.316 4.320 0.015 0.000 0.220 76 A C 2.368 179.823 177.584 -0.214 0.000 1.171 76 A CA 1.317 53.275 52.037 -0.131 0.000 0.640 76 A CB -0.324 18.607 19.000 -0.116 0.000 0.811 76 A HN 0.414 nan 8.150 nan 0.000 0.451 77 I N -0.770 119.615 120.570 -0.310 0.000 2.193 77 I HA -0.201 3.978 4.170 0.015 0.000 0.240 77 I C 2.368 178.324 176.117 -0.268 0.000 1.084 77 I CA 0.888 61.885 61.300 -0.505 0.000 1.365 77 I CB -0.338 37.345 38.000 -0.527 0.000 1.064 77 I HN 0.285 nan 8.210 nan 0.000 0.410 78 L N 0.688 121.805 121.223 -0.175 0.000 2.013 78 L HA -0.276 4.074 4.340 0.015 0.000 0.212 78 L C 2.873 179.685 176.870 -0.096 0.000 1.073 78 L CA 1.623 56.394 54.840 -0.116 0.000 0.753 78 L CB -0.820 41.186 42.059 -0.087 0.000 0.890 78 L HN 0.280 nan 8.230 nan 0.000 0.432 79 A N -0.858 121.908 122.820 -0.090 0.000 1.851 79 A HA -0.270 4.059 4.320 0.015 0.000 0.216 79 A C 2.530 180.086 177.584 -0.046 0.000 1.195 79 A CA 2.214 54.215 52.037 -0.060 0.000 0.622 79 A CB -0.958 18.010 19.000 -0.053 0.000 0.831 79 A HN 0.381 nan 8.150 nan 0.000 0.444 80 S N -0.271 115.399 115.700 -0.049 0.000 2.359 80 S HA -0.191 4.288 4.470 0.015 0.000 0.222 80 S C 1.913 176.534 174.600 0.036 0.000 1.038 80 S CA 1.821 60.036 58.200 0.025 0.000 1.051 80 S CB -0.607 62.641 63.200 0.080 0.000 0.944 80 S HN 0.455 nan 8.310 nan 0.000 0.433 81 I N 1.429 121.993 120.570 -0.011 0.000 2.264 81 I HA -0.182 3.997 4.170 0.015 0.000 0.248 81 I C 2.608 178.659 176.117 -0.110 0.000 1.111 81 I CA 1.763 62.995 61.300 -0.112 0.000 1.382 81 I CB -0.525 37.315 38.000 -0.267 0.000 1.060 81 I HN 0.485 nan 8.210 nan 0.000 0.418 82 E N 1.703 121.857 120.200 -0.077 0.000 2.072 82 E HA -0.285 4.074 4.350 0.015 0.000 0.191 82 E C 1.979 178.561 176.600 -0.031 0.000 0.985 82 E CA 1.625 57.990 56.400 -0.057 0.000 0.801 82 E CB -0.345 29.326 29.700 -0.048 0.000 0.750 82 E HN 0.458 nan 8.360 nan 0.000 0.452 83 E N -0.328 119.862 120.200 -0.017 0.000 2.265 83 E HA -0.194 4.166 4.350 0.015 0.000 0.196 83 E C 1.879 178.485 176.600 0.010 0.000 0.996 83 E CA 0.939 57.339 56.400 -0.000 0.000 0.832 83 E CB 0.017 29.722 29.700 0.009 0.000 0.756 83 E HN 0.462 nan 8.360 nan 0.000 0.491 84 Q N -1.288 118.519 119.800 0.012 0.000 2.424 84 Q HA 0.061 4.410 4.340 0.015 0.000 0.204 84 Q C 0.880 176.892 176.000 0.019 0.000 0.933 84 Q CA 0.510 56.331 55.803 0.030 0.000 0.929 84 Q CB 0.806 29.581 28.738 0.062 0.000 1.037 84 Q HN 0.413 nan 8.270 nan 0.000 0.511 85 G N 1.349 110.146 108.800 -0.004 0.000 2.132 85 G HA2 -0.237 3.733 3.960 0.015 0.000 0.228 85 G HA3 -0.237 3.733 3.960 0.015 0.000 0.228 85 G C 0.418 175.312 174.900 -0.010 0.000 1.000 85 G CA 0.400 45.498 45.100 -0.003 0.000 0.693 85 G HN 0.171 nan 8.290 nan 0.000 0.515 86 K N -0.988 119.380 120.400 -0.052 0.000 2.483 86 K HA 0.395 4.724 4.320 0.015 0.000 0.206 86 K C 0.707 177.220 176.600 -0.144 0.000 1.086 86 K CA -0.390 55.848 56.287 -0.081 0.000 1.052 86 K CB 0.510 32.947 32.500 -0.105 0.000 0.904 86 K HN 0.294 nan 8.250 nan 0.000 0.557 87 L N 2.404 123.552 121.223 -0.126 0.000 2.451 87 L HA 0.114 4.464 4.340 0.015 0.000 0.272 87 L C -0.322 176.510 176.870 -0.064 0.000 1.258 87 L CA 0.735 55.506 54.840 -0.116 0.000 1.132 87 L CB -0.968 41.035 42.059 -0.093 0.000 1.361 87 L HN 0.061 nan 8.230 nan 0.000 0.438 88 T N 5.556 120.078 114.554 -0.053 0.000 2.856 88 T HA 0.103 4.463 4.350 0.015 0.000 0.306 88 T C -1.475 173.217 174.700 -0.013 0.000 1.062 88 T CA -0.609 61.481 62.100 -0.016 0.000 1.083 88 T CB 1.039 69.912 68.868 0.008 0.000 0.984 88 T HN 0.393 nan 8.240 nan 0.000 0.542 89 P HA -0.005 nan 4.420 nan 0.000 0.216 89 P C 1.149 178.450 177.300 0.003 0.000 1.153 89 P CA 0.808 63.907 63.100 -0.003 0.000 0.844 89 P CB 0.200 31.901 31.700 0.001 0.000 0.787 90 E N -0.218 119.989 120.200 0.012 0.000 2.058 90 E HA -0.154 4.205 4.350 0.015 0.000 0.194 90 E C 2.053 178.667 176.600 0.023 0.000 0.997 90 E CA 0.887 57.299 56.400 0.020 0.000 0.801 90 E CB -1.344 28.373 29.700 0.029 0.000 0.746 90 E HN 0.142 nan 8.360 nan 0.000 0.450 91 L N 0.196 121.434 121.223 0.026 0.000 2.042 91 L HA -0.211 4.139 4.340 0.015 0.000 0.210 91 L C 2.250 179.127 176.870 0.011 0.000 1.076 91 L CA 1.348 56.207 54.840 0.033 0.000 0.749 91 L CB -0.389 41.682 42.059 0.020 0.000 0.893 91 L HN 0.242 nan 8.230 nan 0.000 0.432 92 A N -0.178 122.637 122.820 -0.007 0.000 1.908 92 A HA -0.295 4.035 4.320 0.015 0.000 0.218 92 A C 2.367 179.947 177.584 -0.006 0.000 1.181 92 A CA 1.991 54.019 52.037 -0.016 0.000 0.627 92 A CB -0.612 18.376 19.000 -0.021 0.000 0.818 92 A HN 0.445 nan 8.150 nan 0.000 0.445 93 R N -0.523 119.978 120.500 0.002 0.000 2.092 93 R HA -0.144 4.205 4.340 0.015 0.000 0.231 93 R C 1.477 177.783 176.300 0.010 0.000 1.119 93 R CA 1.704 57.806 56.100 0.004 0.000 0.970 93 R CB -0.305 29.999 30.300 0.007 0.000 0.864 93 R HN 0.505 nan 8.270 nan 0.000 0.440 94 D N 0.428 120.839 120.400 0.018 0.000 2.097 94 D HA -0.166 4.484 4.640 0.015 0.000 0.195 94 D C 1.798 178.113 176.300 0.024 0.000 0.989 94 D CA 1.112 55.128 54.000 0.027 0.000 0.827 94 D CB -0.061 40.764 40.800 0.043 0.000 0.966 94 D HN 0.141 nan 8.370 nan 0.000 0.456 95 I N 1.055 121.637 120.570 0.019 0.000 2.151 95 I HA -0.253 3.926 4.170 0.015 0.000 0.243 95 I C 2.254 178.370 176.117 -0.003 0.000 1.080 95 I CA 1.277 62.582 61.300 0.008 0.000 1.339 95 I CB -0.973 37.021 38.000 -0.010 0.000 1.039 95 I HN 0.104 nan 8.210 nan 0.000 0.409 96 K N 1.202 121.598 120.400 -0.006 0.000 2.020 96 K HA -0.186 4.143 4.320 0.015 0.000 0.212 96 K C 2.165 178.764 176.600 -0.002 0.000 1.050 96 K CA 1.547 57.828 56.287 -0.009 0.000 0.929 96 K CB -0.280 32.216 32.500 -0.008 0.000 0.714 96 K HN 0.289 nan 8.250 nan 0.000 0.443 97 L N 1.212 122.438 121.223 0.005 0.000 2.353 97 L HA -0.040 4.309 4.340 0.015 0.000 0.220 97 L C 1.025 177.904 176.870 0.015 0.000 1.133 97 L CA 0.070 54.916 54.840 0.010 0.000 0.798 97 L CB -0.582 41.484 42.059 0.012 0.000 0.922 97 L HN 0.130 nan 8.230 nan 0.000 0.445 98 A N 0.716 123.546 122.820 0.017 0.000 2.563 98 A HA -0.090 4.240 4.320 0.015 0.000 0.256 98 A C 0.642 178.241 177.584 0.026 0.000 1.056 98 A CA 0.239 52.291 52.037 0.024 0.000 0.775 98 A CB -0.090 18.923 19.000 0.023 0.000 0.973 98 A HN 0.295 nan 8.150 nan 0.000 0.516 99 D N 0.625 121.047 120.400 0.037 0.000 2.106 99 D HA 0.015 4.664 4.640 0.015 0.000 0.203 99 D C 1.548 177.894 176.300 0.076 0.000 0.977 99 D CA 2.038 56.068 54.000 0.049 0.000 0.844 99 D CB -0.062 40.766 40.800 0.046 0.000 1.002 99 D HN 0.752 nan 8.370 nan 0.000 0.461 100 T N -2.028 112.575 114.554 0.081 0.000 2.897 100 T HA 0.314 4.673 4.350 0.015 0.000 0.278 100 T C 0.747 175.505 174.700 0.098 0.000 0.981 100 T CA -0.768 61.405 62.100 0.122 0.000 0.973 100 T CB 1.553 70.485 68.868 0.107 0.000 1.092 100 T HN -0.190 nan 8.240 nan 0.000 0.543 101 K N -0.212 120.268 120.400 0.132 0.000 2.432 101 K HA 0.033 4.362 4.320 0.015 0.000 0.196 101 K C 1.960 178.610 176.600 0.084 0.000 1.038 101 K CA 0.638 56.969 56.287 0.073 0.000 0.986 101 K CB -0.141 32.407 32.500 0.079 0.000 0.782 101 K HN 0.619 nan 8.250 nan 0.000 0.485 102 T N 0.634 115.245 114.554 0.094 0.000 2.894 102 T HA 0.010 4.370 4.350 0.015 0.000 0.258 102 T C 1.680 176.430 174.700 0.083 0.000 1.043 102 T CA 0.560 62.714 62.100 0.089 0.000 1.141 102 T CB 0.115 69.030 68.868 0.077 0.000 0.873 102 T HN 0.107 nan 8.240 nan 0.000 0.449 103 R N 0.917 121.459 120.500 0.071 0.000 2.115 103 R HA 0.161 4.510 4.340 0.015 0.000 0.226 103 R C 2.287 178.632 176.300 0.075 0.000 1.100 103 R CA 0.515 56.653 56.100 0.065 0.000 0.980 103 R CB -1.061 29.270 30.300 0.052 0.000 0.875 103 R HN 0.296 nan 8.270 nan 0.000 0.445 104 L N 1.802 123.066 121.223 0.068 0.000 2.056 104 L HA -0.085 4.264 4.340 0.015 0.000 0.207 104 L C 1.931 178.864 176.870 0.105 0.000 1.078 104 L CA 1.847 56.724 54.840 0.062 0.000 0.749 104 L CB -0.272 41.801 42.059 0.024 0.000 0.901 104 L HN -0.025 nan 8.230 nan 0.000 0.433 105 E N -0.312 119.959 120.200 0.119 0.000 2.208 105 E HA -0.148 4.211 4.350 0.015 0.000 0.193 105 E C 1.773 178.488 176.600 0.190 0.000 0.988 105 E CA 0.824 57.329 56.400 0.175 0.000 0.828 105 E CB -0.183 29.604 29.700 0.145 0.000 0.763 105 E HN 0.561 nan 8.360 nan 0.000 0.478 106 D N 0.533 121.024 120.400 0.151 0.000 2.084 106 D HA -0.123 4.526 4.640 0.015 0.000 0.196 106 D C 1.866 178.255 176.300 0.149 0.000 0.985 106 D CA 0.504 54.586 54.000 0.136 0.000 0.826 106 D CB -0.200 40.655 40.800 0.091 0.000 0.978 106 D HN 0.066 nan 8.370 nan 0.000 0.456 107 L N -0.060 121.260 121.223 0.161 0.000 2.261 107 L HA -0.163 4.186 4.340 0.015 0.000 0.216 107 L C 1.959 179.019 176.870 0.317 0.000 1.114 107 L CA 1.316 56.274 54.840 0.196 0.000 0.777 107 L CB -0.815 41.339 42.059 0.158 0.000 0.910 107 L HN 0.232 nan 8.230 nan 0.000 0.440 108 Y N -1.832 118.556 120.300 0.146 0.000 2.490 108 Y HA -0.079 4.480 4.550 0.015 0.000 0.285 108 Y C 2.268 178.258 175.900 0.151 0.000 1.117 108 Y CA 0.006 58.220 58.100 0.191 0.000 1.262 108 Y CB 0.302 38.833 38.460 0.119 0.000 1.043 108 Y HN 0.044 nan 8.280 nan 0.000 0.553 109 L N 0.799 122.043 121.223 0.035 0.000 2.058 109 L HA -0.297 4.052 4.340 0.015 0.000 0.226 109 L C -0.666 176.063 176.870 -0.236 0.000 1.089 109 L CA 2.020 56.799 54.840 -0.102 0.000 0.799 109 L CB -1.904 40.154 42.059 -0.003 0.000 0.900 109 L HN 0.243 nan 8.230 nan 0.000 0.442 110 P HA -0.162 nan 4.420 nan 0.000 0.222 110 P C 0.602 177.485 177.300 -0.695 0.000 1.147 110 P CA 1.480 64.229 63.100 -0.584 0.000 0.790 110 P CB -0.009 31.165 31.700 -0.876 0.000 0.780 111 Y N -1.831 118.380 120.300 -0.148 0.000 2.445 111 Y HA 0.231 4.790 4.550 0.015 0.000 0.247 111 Y C 1.220 176.882 175.900 -0.396 0.000 1.129 111 Y CA -0.644 57.362 58.100 -0.156 0.000 1.251 111 Y CB -0.095 38.388 38.460 0.038 0.000 1.176 111 Y HN -0.223 nan 8.280 nan 0.000 0.522 112 K N 2.034 122.058 120.400 -0.627 0.000 2.380 112 K HA -0.037 4.292 4.320 0.015 0.000 0.267 112 K C 0.253 176.703 176.600 -0.250 0.000 0.990 112 K CA -0.405 55.466 56.287 -0.694 0.000 0.946 112 K CB 0.589 32.734 32.500 -0.591 0.000 0.937 112 K HN 0.029 nan 8.250 nan 0.000 0.491 113 Q N 3.476 123.199 119.800 -0.129 0.000 2.247 113 Q HA -0.042 4.307 4.340 0.015 0.000 0.288 113 Q C -1.160 174.799 176.000 -0.068 0.000 1.079 113 Q CA 0.719 56.490 55.803 -0.053 0.000 0.932 113 Q CB 0.456 29.189 28.738 -0.008 0.000 1.133 113 Q HN 0.469 nan 8.270 nan 0.000 0.377 114 K N 3.412 123.777 120.400 -0.059 0.000 2.259 114 K HA 0.584 4.913 4.320 0.015 0.000 0.249 114 K C -0.610 175.966 176.600 -0.039 0.000 0.942 114 K CA -0.991 55.261 56.287 -0.058 0.000 0.816 114 K CB 1.835 34.294 32.500 -0.069 0.000 1.155 114 K HN 0.517 nan 8.250 nan 0.000 0.428 115 R N 0.663 121.140 120.500 -0.038 0.000 2.652 115 R HA 0.125 4.474 4.340 0.015 0.000 0.272 115 R C 0.230 176.511 176.300 -0.031 0.000 1.162 115 R CA -0.723 55.358 56.100 -0.032 0.000 1.199 115 R CB 0.195 30.475 30.300 -0.033 0.000 1.166 115 R HN 0.491 nan 8.270 nan 0.000 0.597 116 R N 1.059 121.542 120.500 -0.029 0.000 4.576 116 R HA -0.007 4.342 4.340 0.015 0.000 0.185 116 R C -0.391 175.887 176.300 -0.037 0.000 1.837 116 R CA 0.244 56.328 56.100 -0.028 0.000 1.520 116 R CB -0.921 29.364 30.300 -0.025 0.000 1.403 116 R HN 0.430 nan 8.270 nan 0.000 0.831 117 T N 0.266 114.797 114.554 -0.039 0.000 2.926 117 T HA 0.005 4.364 4.350 0.015 0.000 0.307 117 T C 1.219 175.886 174.700 -0.056 0.000 1.059 117 T CA -0.260 61.809 62.100 -0.051 0.000 1.122 117 T CB 0.592 69.440 68.868 -0.034 0.000 0.972 117 T HN 0.677 nan 8.240 nan 0.000 0.545 118 K N 2.898 123.231 120.400 -0.112 0.000 2.442 118 K HA -0.051 4.278 4.320 0.015 0.000 0.200 118 K C 1.993 178.587 176.600 -0.010 0.000 1.045 118 K CA 1.435 57.659 56.287 -0.106 0.000 0.937 118 K CB -0.439 31.896 32.500 -0.274 0.000 0.757 118 K HN 0.615 nan 8.250 nan 0.000 0.474 119 G N 1.213 110.018 108.800 0.009 0.000 2.403 119 G HA2 -0.220 3.749 3.960 0.015 0.000 0.216 119 G HA3 -0.220 3.749 3.960 0.015 0.000 0.216 119 G C 1.326 176.239 174.900 0.022 0.000 1.154 119 G CA 0.234 45.365 45.100 0.051 0.000 0.784 119 G HN 0.241 nan 8.290 nan 0.000 0.538 120 Q N 0.020 119.825 119.800 0.009 0.000 2.172 120 Q HA 0.149 4.498 4.340 0.015 0.000 0.200 120 Q C 2.475 178.495 176.000 0.034 0.000 0.964 120 Q CA 0.581 56.389 55.803 0.007 0.000 0.855 120 Q CB -0.185 28.551 28.738 -0.003 0.000 0.918 120 Q HN 0.584 nan 8.270 nan 0.000 0.444 121 I N -0.182 120.423 120.570 0.058 0.000 2.163 121 I HA -0.287 3.892 4.170 0.015 0.000 0.240 121 I C 2.164 178.397 176.117 0.194 0.000 1.081 121 I CA 1.079 62.446 61.300 0.112 0.000 1.353 121 I CB -0.511 37.552 38.000 0.105 0.000 1.054 121 I HN 0.166 nan 8.210 nan 0.000 0.407 122 A N 1.017 123.956 122.820 0.197 0.000 1.908 122 A HA -0.191 4.138 4.320 0.015 0.000 0.218 122 A C 2.313 179.867 177.584 -0.051 0.000 1.181 122 A CA 1.560 53.627 52.037 0.050 0.000 0.627 122 A CB -0.921 18.076 19.000 -0.004 0.000 0.818 122 A HN 0.364 nan 8.150 nan 0.000 0.445 123 L N -0.631 120.584 121.223 -0.014 0.000 1.955 123 L HA -0.250 4.099 4.340 0.015 0.000 0.213 123 L C 2.645 179.514 176.870 -0.002 0.000 1.072 123 L CA 2.000 56.823 54.840 -0.028 0.000 0.755 123 L CB -0.800 41.247 42.059 -0.020 0.000 0.888 123 L HN 0.473 nan 8.230 nan 0.000 0.432 124 E N 0.079 120.296 120.200 0.029 0.000 2.187 124 E HA -0.256 4.104 4.350 0.015 0.000 0.199 124 E C 1.702 178.340 176.600 0.064 0.000 1.004 124 E CA 1.166 57.593 56.400 0.044 0.000 0.813 124 E CB -0.270 29.462 29.700 0.053 0.000 0.736 124 E HN 0.530 nan 8.360 nan 0.000 0.468 125 A N 0.460 123.332 122.820 0.087 0.000 2.291 125 A HA 0.314 4.643 4.320 0.015 0.000 0.220 125 A C 1.614 179.217 177.584 0.033 0.000 1.262 125 A CA 0.596 52.697 52.037 0.106 0.000 0.867 125 A CB -0.553 18.588 19.000 0.236 0.000 0.888 125 A HN 0.311 nan 8.150 nan 0.000 0.487 126 G N -0.727 108.087 108.800 0.023 0.000 2.180 126 G HA2 -0.281 3.688 3.960 0.015 0.000 0.263 126 G HA3 -0.281 3.688 3.960 0.015 0.000 0.263 126 G C 0.594 175.501 174.900 0.012 0.000 0.989 126 G CA 0.596 45.724 45.100 0.046 0.000 0.692 126 G HN 0.580 nan 8.290 nan 0.000 0.526 127 L N 0.541 121.675 121.223 -0.149 0.000 2.693 127 L HA 0.250 4.599 4.340 0.015 0.000 0.242 127 L C 2.424 179.123 176.870 -0.285 0.000 1.157 127 L CA 0.574 55.209 54.840 -0.342 0.000 0.929 127 L CB -0.358 41.403 42.059 -0.496 0.000 1.103 127 L HN 0.300 nan 8.230 nan 0.000 0.430 128 G N -0.518 108.188 108.800 -0.157 0.000 2.603 128 G HA2 -0.024 3.945 3.960 0.015 0.000 0.214 128 G HA3 -0.024 3.945 3.960 0.015 0.000 0.214 128 G C 1.671 176.503 174.900 -0.113 0.000 1.140 128 G CA 0.716 45.741 45.100 -0.126 0.000 0.800 128 G HN 0.438 nan 8.290 nan 0.000 0.533 129 A N 0.586 123.358 122.820 -0.081 0.000 1.897 129 A HA 0.217 4.546 4.320 0.015 0.000 0.215 129 A C 2.263 179.772 177.584 -0.125 0.000 1.181 129 A CA 0.864 52.896 52.037 -0.008 0.000 0.620 129 A CB -0.424 18.692 19.000 0.194 0.000 0.821 129 A HN 0.316 nan 8.150 nan 0.000 0.443 130 L N -0.476 120.466 121.223 -0.468 0.000 2.012 130 L HA -0.218 4.131 4.340 0.015 0.000 0.210 130 L C 2.983 179.678 176.870 -0.291 0.000 1.073 130 L CA 1.489 55.970 54.840 -0.598 0.000 0.748 130 L CB -0.507 40.889 42.059 -1.104 0.000 0.891 130 L HN 0.443 nan 8.230 nan 0.000 0.431 131 A N -0.081 122.596 122.820 -0.238 0.000 1.927 131 A HA -0.313 4.017 4.320 0.015 0.000 0.220 131 A C 1.734 179.311 177.584 -0.011 0.000 1.185 131 A CA 2.481 54.465 52.037 -0.089 0.000 0.639 131 A CB -0.727 18.191 19.000 -0.137 0.000 0.820 131 A HN 0.540 nan 8.150 nan 0.000 0.451 132 D N -0.508 119.873 120.400 -0.031 0.000 2.137 132 D HA 0.158 4.808 4.640 0.015 0.000 0.202 132 D C 2.257 178.626 176.300 0.116 0.000 0.970 132 D CA 1.295 55.324 54.000 0.048 0.000 0.837 132 D CB -0.471 40.339 40.800 0.016 0.000 0.981 132 D HN 0.418 nan 8.370 nan 0.000 0.475 133 A N 0.896 123.746 122.820 0.051 0.000 1.859 133 A HA -0.176 4.153 4.320 0.015 0.000 0.217 133 A C 2.262 179.885 177.584 0.065 0.000 1.198 133 A CA 1.208 53.277 52.037 0.053 0.000 0.629 133 A CB -1.016 18.002 19.000 0.029 0.000 0.830 133 A HN 0.198 nan 8.150 nan 0.000 0.446 134 L N -2.179 119.067 121.223 0.039 0.000 2.012 134 L HA -0.182 4.167 4.340 0.015 0.000 0.210 134 L C 2.560 179.544 176.870 0.189 0.000 1.073 134 L CA 1.942 56.822 54.840 0.065 0.000 0.748 134 L CB -0.608 41.431 42.059 -0.034 0.000 0.891 134 L HN 0.549 nan 8.230 nan 0.000 0.431 135 F N 1.282 121.300 119.950 0.113 0.000 2.134 135 F HA -0.270 4.266 4.527 0.015 0.000 0.299 135 F C 2.188 178.037 175.800 0.082 0.000 1.097 135 F CA 2.068 60.140 58.000 0.121 0.000 1.264 135 F CB -0.238 38.824 39.000 0.103 0.000 1.001 135 F HN 0.136 nan 8.300 nan 0.000 0.479 136 D N -0.352 120.204 120.400 0.260 0.000 2.144 136 D HA -0.163 4.486 4.640 0.015 0.000 0.200 136 D C 0.091 176.397 176.300 0.010 0.000 0.978 136 D CA 1.255 55.334 54.000 0.131 0.000 0.833 136 D CB -0.110 40.792 40.800 0.169 0.000 0.961 136 D HN 0.227 nan 8.370 nan 0.000 0.470 137 D N -1.559 118.853 120.400 0.020 0.000 2.375 137 D HA 0.236 4.885 4.640 0.015 0.000 0.259 137 D C -2.210 174.087 176.300 -0.004 0.000 1.235 137 D CA -2.131 51.868 54.000 -0.002 0.000 0.924 137 D CB 1.635 42.442 40.800 0.010 0.000 1.143 137 D HN -0.096 nan 8.370 nan 0.000 0.529 138 P HA -0.078 nan 4.420 nan 0.000 0.226 138 P C 1.186 178.487 177.300 0.001 0.000 1.146 138 P CA 1.096 64.195 63.100 -0.003 0.000 0.773 138 P CB 0.231 31.917 31.700 -0.023 0.000 0.772 139 T N -4.512 110.039 114.554 -0.005 0.000 3.067 139 T HA 0.069 4.428 4.350 0.015 0.000 0.261 139 T C 0.892 175.587 174.700 -0.008 0.000 1.110 139 T CA 0.087 62.184 62.100 -0.005 0.000 1.113 139 T CB -0.696 68.168 68.868 -0.006 0.000 0.917 139 T HN -0.046 nan 8.240 nan 0.000 0.499 140 L N 1.504 122.721 121.223 -0.010 0.000 2.473 140 L HA 0.244 4.593 4.340 0.015 0.000 0.265 140 L C 0.010 176.860 176.870 -0.033 0.000 1.243 140 L CA -0.465 54.363 54.840 -0.020 0.000 0.822 140 L CB 0.388 42.432 42.059 -0.024 0.000 1.101 140 L HN 0.065 nan 8.230 nan 0.000 0.507 141 V N 2.625 122.512 119.914 -0.045 0.000 2.293 141 V HA 0.143 4.272 4.120 0.015 0.000 0.275 141 V C -1.350 174.679 176.094 -0.107 0.000 1.021 141 V CA -1.311 60.954 62.300 -0.059 0.000 0.815 141 V CB 0.755 32.554 31.823 -0.040 0.000 1.025 141 V HN 0.666 nan 8.190 nan 0.000 0.448 142 P HA -0.309 nan 4.420 nan 0.000 0.223 142 P C 1.596 178.737 177.300 -0.265 0.000 0.816 142 P CA 2.190 65.089 63.100 -0.336 0.000 1.074 142 P CB 0.094 31.521 31.700 -0.454 0.000 0.700 143 E N 0.119 120.184 120.200 -0.224 0.000 2.200 143 E HA -0.238 4.122 4.350 0.015 0.000 0.211 143 E C 1.956 178.502 176.600 -0.090 0.000 1.048 143 E CA 2.191 58.506 56.400 -0.142 0.000 0.851 143 E CB -1.694 27.954 29.700 -0.087 0.000 0.747 143 E HN 0.256 nan 8.360 nan 0.000 0.462 144 S N 1.366 117.021 115.700 -0.075 0.000 2.343 144 S HA -0.114 4.365 4.470 0.015 0.000 0.219 144 S C 1.724 176.308 174.600 -0.028 0.000 1.033 144 S CA 1.313 59.487 58.200 -0.043 0.000 1.014 144 S CB -0.145 63.033 63.200 -0.037 0.000 0.915 144 S HN 0.313 nan 8.310 nan 0.000 0.435 145 E N 1.351 121.529 120.200 -0.036 0.000 2.333 145 E HA -0.019 4.340 4.350 0.015 0.000 0.198 145 E C 2.046 178.712 176.600 0.110 0.000 1.007 145 E CA 0.739 57.155 56.400 0.026 0.000 0.845 145 E CB -0.291 29.407 29.700 -0.002 0.000 0.766 145 E HN 0.497 nan 8.360 nan 0.000 0.507 146 A N 1.543 124.360 122.820 -0.004 0.000 1.897 146 A HA 0.052 4.381 4.320 0.015 0.000 0.215 146 A C 2.477 180.141 177.584 0.133 0.000 1.181 146 A CA 1.380 53.424 52.037 0.012 0.000 0.620 146 A CB -0.490 18.430 19.000 -0.133 0.000 0.821 146 A HN 0.252 nan 8.150 nan 0.000 0.443 147 A N 0.305 123.157 122.820 0.053 0.000 1.971 147 A HA -0.294 4.035 4.320 0.015 0.000 0.222 147 A C 2.171 179.779 177.584 0.039 0.000 1.182 147 A CA 1.990 54.049 52.037 0.037 0.000 0.649 147 A CB -0.593 18.411 19.000 0.006 0.000 0.818 147 A HN 0.584 nan 8.150 nan 0.000 0.458 148 R N -2.096 118.426 120.500 0.036 0.000 2.193 148 R HA -0.090 4.259 4.340 0.015 0.000 0.229 148 R C 0.792 176.932 176.300 -0.267 0.000 1.110 148 R CA 1.414 57.426 56.100 -0.145 0.000 0.988 148 R CB -0.262 29.863 30.300 -0.291 0.000 0.871 148 R HN 0.633 nan 8.270 nan 0.000 0.458 149 F N -0.409 119.502 119.950 -0.064 0.000 2.678 149 F HA 0.156 4.692 4.527 0.015 0.000 0.305 149 F C 0.622 176.400 175.800 -0.037 0.000 1.090 149 F CA -0.585 57.375 58.000 -0.067 0.000 1.272 149 F CB 0.147 39.077 39.000 -0.117 0.000 1.060 149 F HN -0.324 nan 8.300 nan 0.000 0.576 150 V N 1.650 121.649 119.914 0.141 0.000 2.901 150 V HA 0.018 4.147 4.120 0.015 0.000 0.307 150 V C -0.011 176.150 176.094 0.112 0.000 1.084 150 V CA 0.410 62.784 62.300 0.123 0.000 1.184 150 V CB 0.709 32.581 31.823 0.081 0.000 0.941 150 V HN 0.228 nan 8.190 nan 0.000 0.493 151 D N 2.177 122.664 120.400 0.145 0.000 2.301 151 D HA 0.305 4.954 4.640 0.015 0.000 0.203 151 D C 0.413 176.780 176.300 0.112 0.000 1.300 151 D CA 0.130 54.200 54.000 0.116 0.000 0.899 151 D CB 1.567 42.443 40.800 0.126 0.000 1.597 151 D HN 0.510 nan 8.370 nan 0.000 0.538 152 A N 3.311 126.168 122.820 0.063 0.000 1.883 152 A HA -0.207 4.122 4.320 0.015 0.000 0.217 152 A C 1.764 179.355 177.584 0.012 0.000 1.186 152 A CA 2.036 54.091 52.037 0.031 0.000 0.624 152 A CB -0.265 18.745 19.000 0.017 0.000 0.822 152 A HN 0.555 nan 8.150 nan 0.000 0.444 153 E N 0.230 120.443 120.200 0.022 0.000 2.153 153 E HA -0.127 4.232 4.350 0.015 0.000 0.194 153 E C 1.654 178.262 176.600 0.013 0.000 0.988 153 E CA 1.511 57.918 56.400 0.012 0.000 0.811 153 E CB -0.206 29.505 29.700 0.018 0.000 0.746 153 E HN 0.601 nan 8.360 nan 0.000 0.466 154 K N -1.222 119.210 120.400 0.054 0.000 2.444 154 K HA 0.160 4.489 4.320 0.015 0.000 0.193 154 K C 0.507 177.090 176.600 -0.029 0.000 1.024 154 K CA 0.495 56.836 56.287 0.090 0.000 1.077 154 K CB 0.401 33.031 32.500 0.217 0.000 0.833 154 K HN 0.268 nan 8.250 nan 0.000 0.517 155 G N 1.196 109.888 108.800 -0.181 0.000 2.140 155 G HA2 -0.219 3.750 3.960 0.015 0.000 0.211 155 G HA3 -0.219 3.750 3.960 0.015 0.000 0.211 155 G C -0.195 174.096 174.900 -1.015 0.000 1.013 155 G CA -0.495 44.294 45.100 -0.519 0.000 0.705 155 G HN 0.246 nan 8.290 nan 0.000 0.508 156 F N -0.402 119.556 119.950 0.015 0.000 2.664 156 F HA 0.614 5.151 4.527 0.015 0.000 0.353 156 F C 1.322 177.134 175.800 0.020 0.000 1.498 156 F CA -0.198 57.813 58.000 0.019 0.000 1.109 156 F CB 0.232 39.248 39.000 0.026 0.000 1.728 156 F HN 0.176 nan 8.300 nan 0.000 0.580 157 A N -0.431 122.434 122.820 0.074 0.000 1.933 157 A HA -0.098 4.231 4.320 0.015 0.000 0.218 157 A C 0.879 178.505 177.584 0.069 0.000 1.175 157 A CA 1.732 53.804 52.037 0.059 0.000 0.628 157 A CB -0.418 18.593 19.000 0.017 0.000 0.814 157 A HN 0.573 nan 8.150 nan 0.000 0.444 158 D N -2.640 117.806 120.400 0.077 0.000 2.272 158 D HA 0.352 5.001 4.640 0.015 0.000 0.247 158 D C 0.907 177.253 176.300 0.077 0.000 0.990 158 D CA -0.042 53.996 54.000 0.064 0.000 0.931 158 D CB 1.625 42.455 40.800 0.049 0.000 1.195 158 D HN -0.009 nan 8.370 nan 0.000 0.477 159 V N 2.860 122.803 119.914 0.049 0.000 2.332 159 V HA -0.215 3.914 4.120 0.015 0.000 0.248 159 V C 2.136 178.246 176.094 0.026 0.000 1.055 159 V CA 2.347 64.665 62.300 0.030 0.000 1.038 159 V CB -0.718 31.109 31.823 0.007 0.000 0.651 159 V HN 0.779 nan 8.190 nan 0.000 0.450 160 K N -0.451 119.970 120.400 0.036 0.000 2.211 160 K HA -0.159 4.170 4.320 0.015 0.000 0.204 160 K C 2.047 178.694 176.600 0.078 0.000 1.047 160 K CA 1.530 57.843 56.287 0.043 0.000 0.935 160 K CB -0.366 32.163 32.500 0.049 0.000 0.728 160 K HN 0.620 nan 8.250 nan 0.000 0.452 161 A N 0.620 123.509 122.820 0.115 0.000 1.841 161 A HA -0.099 4.230 4.320 0.015 0.000 0.214 161 A C 2.202 179.935 177.584 0.248 0.000 1.195 161 A CA 1.518 53.679 52.037 0.208 0.000 0.611 161 A CB -0.797 18.347 19.000 0.240 0.000 0.835 161 A HN 0.126 nan 8.150 nan 0.000 0.443 162 V N 0.482 120.493 119.914 0.162 0.000 2.233 162 V HA -0.360 3.769 4.120 0.015 0.000 0.252 162 V C 2.615 178.644 176.094 -0.109 0.000 1.063 162 V CA 2.366 64.637 62.300 -0.049 0.000 1.032 162 V CB -0.964 30.820 31.823 -0.064 0.000 0.645 162 V HN 0.581 nan 8.190 nan 0.000 0.446 163 L N -0.399 120.775 121.223 -0.082 0.000 2.042 163 L HA -0.250 4.099 4.340 0.015 0.000 0.210 163 L C 2.654 179.596 176.870 0.121 0.000 1.076 163 L CA 2.271 57.061 54.840 -0.083 0.000 0.749 163 L CB -0.628 41.359 42.059 -0.121 0.000 0.893 163 L HN 0.523 nan 8.230 nan 0.000 0.432 164 E N 0.153 120.421 120.200 0.114 0.000 2.077 164 E HA -0.184 4.175 4.350 0.015 0.000 0.193 164 E C 2.144 178.867 176.600 0.204 0.000 0.989 164 E CA 1.198 57.673 56.400 0.126 0.000 0.800 164 E CB -0.153 29.637 29.700 0.151 0.000 0.746 164 E HN 0.442 nan 8.360 nan 0.000 0.452 165 G N 0.890 109.817 108.800 0.210 0.000 2.459 165 G HA2 -0.288 3.681 3.960 0.015 0.000 0.217 165 G HA3 -0.288 3.681 3.960 0.015 0.000 0.217 165 G C 1.677 176.614 174.900 0.061 0.000 1.183 165 G CA 1.032 46.250 45.100 0.197 0.000 0.776 165 G HN 0.423 nan 8.290 nan 0.000 0.552 166 A N 0.247 123.038 122.820 -0.048 0.000 2.125 166 A HA 0.018 4.347 4.320 0.015 0.000 0.219 166 A C 2.147 179.778 177.584 0.079 0.000 1.156 166 A CA 2.063 54.077 52.037 -0.039 0.000 0.671 166 A CB -0.344 18.584 19.000 -0.120 0.000 0.794 166 A HN 0.463 nan 8.150 nan 0.000 0.459 167 K N -1.590 118.857 120.400 0.078 0.000 2.062 167 K HA -0.107 4.223 4.320 0.015 0.000 0.205 167 K C 1.533 177.933 176.600 -0.334 0.000 1.051 167 K CA 1.306 57.473 56.287 -0.200 0.000 0.941 167 K CB -0.291 31.975 32.500 -0.390 0.000 0.719 167 K HN 0.510 nan 8.250 nan 0.000 0.440 168 Y N 0.742 120.991 120.300 -0.085 0.000 2.352 168 Y HA -0.085 4.474 4.550 0.015 0.000 0.292 168 Y C 1.885 177.706 175.900 -0.132 0.000 1.136 168 Y CA 0.881 58.940 58.100 -0.070 0.000 1.227 168 Y CB 0.033 38.492 38.460 -0.002 0.000 0.991 168 Y HN 0.038 nan 8.280 nan 0.000 0.545 169 I N -0.604 119.937 120.570 -0.047 0.000 2.179 169 I HA -0.337 3.843 4.170 0.015 0.000 0.242 169 I C 2.012 177.946 176.117 -0.305 0.000 1.088 169 I CA 1.446 62.663 61.300 -0.137 0.000 1.357 169 I CB -0.358 37.555 38.000 -0.145 0.000 1.051 169 I HN 0.215 nan 8.210 nan 0.000 0.409 170 L N -0.565 120.391 121.223 -0.444 0.000 2.109 170 L HA -0.189 4.160 4.340 0.015 0.000 0.207 170 L C 2.630 178.933 176.870 -0.945 0.000 1.086 170 L CA 1.135 55.439 54.840 -0.893 0.000 0.760 170 L CB -0.383 41.135 42.059 -0.902 0.000 0.910 170 L HN 0.253 nan 8.230 nan 0.000 0.437 171 M N -0.433 118.859 119.600 -0.514 0.000 2.082 171 M HA -0.264 4.225 4.480 0.015 0.000 0.258 171 M C 2.148 178.352 176.300 -0.160 0.000 1.069 171 M CA 1.905 57.042 55.300 -0.271 0.000 1.102 171 M CB -0.407 32.065 32.600 -0.214 0.000 1.336 171 M HN 0.210 nan 8.290 nan 0.000 0.404 172 E N -0.465 119.652 120.200 -0.138 0.000 2.110 172 E HA -0.175 4.184 4.350 0.015 0.000 0.193 172 E C 2.124 178.661 176.600 -0.105 0.000 0.988 172 E CA 0.923 57.281 56.400 -0.070 0.000 0.804 172 E CB -0.047 29.629 29.700 -0.040 0.000 0.745 172 E HN 0.459 nan 8.360 nan 0.000 0.458 173 R N 0.093 120.449 120.500 -0.240 0.000 2.062 173 R HA -0.057 4.292 4.340 0.015 0.000 0.231 173 R C 2.288 178.612 176.300 0.040 0.000 1.136 173 R CA 1.288 57.276 56.100 -0.186 0.000 0.948 173 R CB -0.292 29.790 30.300 -0.362 0.000 0.845 173 R HN 0.210 nan 8.270 nan 0.000 0.430 174 F N 0.447 120.327 119.950 -0.117 0.000 2.161 174 F HA -0.143 4.393 4.527 0.015 0.000 0.300 174 F C 2.207 178.085 175.800 0.129 0.000 1.089 174 F CA 0.191 58.214 58.000 0.038 0.000 1.282 174 F CB -0.146 38.845 39.000 -0.015 0.000 1.010 174 F HN 0.146 nan 8.300 nan 0.000 0.485 175 A N 0.567 123.537 122.820 0.250 0.000 2.265 175 A HA -0.051 4.279 4.320 0.015 0.000 0.213 175 A C 1.157 178.833 177.584 0.153 0.000 1.255 175 A CA 0.807 52.959 52.037 0.192 0.000 0.862 175 A CB -0.975 18.115 19.000 0.150 0.000 0.852 175 A HN 0.638 nan 8.150 nan 0.000 0.484 176 E N -0.939 119.342 120.200 0.136 0.000 2.743 176 E HA 0.082 4.441 4.350 0.015 0.000 0.222 176 E C -0.449 176.206 176.600 0.092 0.000 0.959 176 E CA -0.549 55.903 56.400 0.086 0.000 1.198 176 E CB -0.038 29.669 29.700 0.011 0.000 1.100 176 E HN 0.328 nan 8.360 nan 0.000 0.518 177 D N 1.135 121.625 120.400 0.149 0.000 2.348 177 D HA 0.142 4.791 4.640 0.015 0.000 0.253 177 D C 0.838 177.190 176.300 0.087 0.000 1.161 177 D CA 0.507 54.595 54.000 0.148 0.000 0.876 177 D CB 1.688 42.635 40.800 0.246 0.000 1.160 177 D HN 0.204 nan 8.370 nan 0.000 0.459 178 A N 3.764 126.627 122.820 0.072 0.000 1.832 178 A HA -0.162 4.167 4.320 0.015 0.000 0.214 178 A C 2.114 179.714 177.584 0.026 0.000 1.200 178 A CA 1.934 54.004 52.037 0.055 0.000 0.610 178 A CB -0.935 18.107 19.000 0.069 0.000 0.842 178 A HN 0.720 nan 8.150 nan 0.000 0.444 179 T N 0.391 114.953 114.554 0.012 0.000 2.649 179 T HA -0.251 4.108 4.350 0.015 0.000 0.268 179 T C 1.816 176.493 174.700 -0.039 0.000 1.036 179 T CA 1.823 63.912 62.100 -0.019 0.000 1.157 179 T CB -0.590 68.250 68.868 -0.046 0.000 0.861 179 T HN 0.309 nan 8.240 nan 0.000 0.445 180 L N 0.855 122.047 121.223 -0.051 0.000 1.955 180 L HA 0.015 4.364 4.340 0.015 0.000 0.213 180 L C 2.357 179.217 176.870 -0.017 0.000 1.072 180 L CA 1.607 56.413 54.840 -0.058 0.000 0.755 180 L CB -0.895 41.138 42.059 -0.044 0.000 0.888 180 L HN 0.238 nan 8.230 nan 0.000 0.432 181 L N -0.338 120.883 121.223 -0.002 0.000 2.137 181 L HA -0.285 4.064 4.340 0.015 0.000 0.213 181 L C 2.285 179.142 176.870 -0.023 0.000 1.085 181 L CA 1.577 56.398 54.840 -0.031 0.000 0.760 181 L CB -0.671 41.347 42.059 -0.067 0.000 0.893 181 L HN 0.458 nan 8.230 nan 0.000 0.434 182 D N -0.433 119.963 120.400 -0.008 0.000 2.123 182 D HA -0.148 4.501 4.640 0.015 0.000 0.200 182 D C 2.196 178.503 176.300 0.012 0.000 0.976 182 D CA 0.968 54.970 54.000 0.004 0.000 0.831 182 D CB 0.198 41.002 40.800 0.007 0.000 0.974 182 D HN 0.006 nan 8.370 nan 0.000 0.469 183 K N 0.301 120.701 120.400 -0.001 0.000 1.985 183 K HA -0.055 4.274 4.320 0.015 0.000 0.210 183 K C 2.402 179.030 176.600 0.047 0.000 1.047 183 K CA 0.511 56.799 56.287 0.001 0.000 0.932 183 K CB -0.791 31.677 32.500 -0.055 0.000 0.716 183 K HN 0.271 nan 8.250 nan 0.000 0.439 184 L N 0.393 121.642 121.223 0.043 0.000 2.127 184 L HA -0.168 4.181 4.340 0.015 0.000 0.211 184 L C 2.795 179.771 176.870 0.177 0.000 1.089 184 L CA 1.074 55.988 54.840 0.123 0.000 0.757 184 L CB -0.326 41.821 42.059 0.147 0.000 0.899 184 L HN 0.226 nan 8.230 nan 0.000 0.434 185 R N -0.070 120.485 120.500 0.091 0.000 2.061 185 R HA -0.122 4.227 4.340 0.015 0.000 0.230 185 R C 2.269 178.617 176.300 0.080 0.000 1.140 185 R CA 1.415 57.552 56.100 0.062 0.000 0.940 185 R CB -0.202 30.104 30.300 0.011 0.000 0.839 185 R HN 0.097 nan 8.270 nan 0.000 0.429 186 V N 1.036 120.998 119.914 0.080 0.000 2.453 186 V HA -0.268 3.861 4.120 0.015 0.000 0.252 186 V C 1.949 178.109 176.094 0.110 0.000 1.068 186 V CA 1.964 64.309 62.300 0.075 0.000 1.070 186 V CB -0.617 31.246 31.823 0.066 0.000 0.664 186 V HN 0.339 nan 8.190 nan 0.000 0.461 187 F N -0.341 119.606 119.950 -0.005 0.000 2.098 187 F HA -0.131 4.406 4.527 0.015 0.000 0.294 187 F C 2.416 178.221 175.800 0.008 0.000 1.107 187 F CA 1.512 59.507 58.000 -0.008 0.000 1.234 187 F CB -0.101 38.887 39.000 -0.020 0.000 1.002 187 F HN 0.008 nan 8.300 nan 0.000 0.472 188 M N 0.592 120.263 119.600 0.119 0.000 2.346 188 M HA -0.201 4.288 4.480 0.015 0.000 0.263 188 M C 1.907 178.170 176.300 -0.062 0.000 1.064 188 M CA 1.416 56.728 55.300 0.020 0.000 1.083 188 M CB -1.198 31.484 32.600 0.137 0.000 1.399 188 M HN 0.236 nan 8.290 nan 0.000 0.435 189 K N -0.490 119.882 120.400 -0.047 0.000 2.379 189 K HA -0.002 4.327 4.320 0.015 0.000 0.194 189 K C 0.939 177.493 176.600 -0.076 0.000 1.031 189 K CA 0.383 56.645 56.287 -0.041 0.000 1.037 189 K CB 0.399 32.894 32.500 -0.007 0.000 0.824 189 K HN 0.244 nan 8.250 nan 0.000 0.516 190 N N 0.171 118.789 118.700 -0.136 0.000 2.250 190 N HA 0.008 4.757 4.740 0.015 0.000 0.190 190 N C 0.509 175.895 175.510 -0.206 0.000 1.116 190 N CA 0.534 53.503 53.050 -0.135 0.000 0.881 190 N CB 0.916 39.344 38.487 -0.099 0.000 1.006 190 N HN 0.134 nan 8.380 nan 0.000 0.491 191 E N 0.573 120.563 120.200 -0.350 0.000 2.367 191 E HA 0.355 4.715 4.350 0.015 0.000 0.204 191 E C 0.371 176.814 176.600 -0.261 0.000 0.840 191 E CA -0.036 56.130 56.400 -0.389 0.000 1.051 191 E CB 0.137 29.377 29.700 -0.767 0.000 1.051 191 E HN 0.200 nan 8.360 nan 0.000 0.509 192 A N 1.041 123.724 122.820 -0.229 0.000 2.448 192 A HA 0.389 4.718 4.320 0.015 0.000 0.239 192 A C 0.288 177.844 177.584 -0.047 0.000 1.080 192 A CA 0.510 52.498 52.037 -0.083 0.000 0.779 192 A CB -0.063 18.933 19.000 -0.006 0.000 1.026 192 A HN 0.166 nan 8.150 nan 0.000 0.499 193 T N -0.006 114.543 114.554 -0.008 0.000 2.848 193 T HA 0.508 4.868 4.350 0.015 0.000 0.285 193 T C -0.402 174.300 174.700 0.003 0.000 0.995 193 T CA -0.688 61.402 62.100 -0.016 0.000 0.970 193 T CB 0.975 69.827 68.868 -0.026 0.000 0.976 193 T HN 0.700 nan 8.240 nan 0.000 0.441 194 L N 2.597 123.807 121.223 -0.022 0.000 2.483 194 L HA 0.535 4.884 4.340 0.015 0.000 0.276 194 L C -0.031 176.790 176.870 -0.083 0.000 1.213 194 L CA 1.113 55.937 54.840 -0.027 0.000 0.843 194 L CB 0.593 42.595 42.059 -0.095 0.000 1.107 194 L HN 0.963 nan 8.230 nan 0.000 0.487 195 T N 4.145 118.668 114.554 -0.051 0.000 2.971 195 T HA 0.760 5.119 4.350 0.015 0.000 0.304 195 T C -1.120 173.537 174.700 -0.071 0.000 1.038 195 T CA -0.226 61.838 62.100 -0.061 0.000 1.007 195 T CB 1.472 70.338 68.868 -0.003 0.000 1.055 195 T HN 0.844 nan 8.240 nan 0.000 0.451 196 A N 3.222 125.999 122.820 -0.072 0.000 2.355 196 A HA 0.966 5.295 4.320 0.015 0.000 0.317 196 A C -0.478 177.052 177.584 -0.091 0.000 1.094 196 A CA -0.704 51.283 52.037 -0.083 0.000 0.764 196 A CB 1.244 20.220 19.000 -0.042 0.000 1.230 196 A HN 0.642 nan 8.150 nan 0.000 0.448 197 R N -0.526 119.874 120.500 -0.167 0.000 2.817 197 R HA 0.633 4.983 4.340 0.015 0.000 0.268 197 R C -0.795 175.230 176.300 -0.458 0.000 1.027 197 R CA -0.409 55.529 56.100 -0.270 0.000 0.928 197 R CB 1.925 32.121 30.300 -0.174 0.000 1.228 197 R HN 1.023 nan 8.270 nan 0.000 0.469 198 V N -0.568 118.871 119.914 -0.791 0.000 2.612 198 V HA 0.666 4.796 4.120 0.015 0.000 0.301 198 V C -0.296 175.613 176.094 -0.309 0.000 1.046 198 V CA -0.803 60.942 62.300 -0.926 0.000 0.946 198 V CB 1.819 31.976 31.823 -2.776 0.000 1.003 198 V HN 0.358 nan 8.190 nan 0.000 0.459 199 V N 5.807 125.656 119.914 -0.108 0.000 2.530 199 V HA 0.298 4.427 4.120 0.015 0.000 0.282 199 V C -1.794 174.342 176.094 0.070 0.000 1.048 199 V CA -1.394 60.898 62.300 -0.012 0.000 0.997 199 V CB 1.149 32.975 31.823 0.005 0.000 0.987 199 V HN 0.942 nan 8.190 nan 0.000 0.477 200 P HA 0.124 nan 4.420 nan 0.000 0.257 200 P C 0.752 178.100 177.300 0.079 0.000 1.227 200 P CA 1.358 64.506 63.100 0.080 0.000 0.981 200 P CB 0.331 32.061 31.700 0.049 0.000 1.044 201 G N 4.686 113.549 108.800 0.105 0.000 3.435 201 G HA2 -0.200 3.769 3.960 0.015 0.000 0.197 201 G HA3 -0.200 3.769 3.960 0.015 0.000 0.197 201 G C 0.908 175.869 174.900 0.103 0.000 1.497 201 G CA -0.493 44.658 45.100 0.084 0.000 1.043 201 G HN 0.361 nan 8.290 nan 0.000 0.466 202 K N 1.780 122.253 120.400 0.122 0.000 2.585 202 K HA 0.077 4.406 4.320 0.015 0.000 0.194 202 K C 1.698 178.423 176.600 0.209 0.000 1.037 202 K CA 1.082 57.454 56.287 0.142 0.000 0.964 202 K CB -0.077 32.498 32.500 0.124 0.000 0.787 202 K HN 0.706 nan 8.250 nan 0.000 0.488 203 E N 1.094 121.431 120.200 0.229 0.000 2.049 203 E HA -0.231 4.128 4.350 0.015 0.000 0.198 203 E C 2.130 178.723 176.600 -0.012 0.000 1.007 203 E CA 1.371 57.865 56.400 0.158 0.000 0.809 203 E CB 0.023 29.761 29.700 0.063 0.000 0.749 203 E HN 0.288 nan 8.360 nan 0.000 0.450 204 Q N 0.570 120.373 119.800 0.005 0.000 2.020 204 Q HA -0.214 4.135 4.340 0.015 0.000 0.198 204 Q C 2.085 178.105 176.000 0.033 0.000 0.974 204 Q CA 1.309 57.107 55.803 -0.009 0.000 0.829 204 Q CB -0.021 28.716 28.738 -0.001 0.000 0.894 204 Q HN 0.086 nan 8.270 nan 0.000 0.433 205 E N -0.239 119.998 120.200 0.061 0.000 2.172 205 E HA -0.183 4.176 4.350 0.015 0.000 0.213 205 E C 0.258 176.923 176.600 0.107 0.000 1.051 205 E CA 1.769 58.217 56.400 0.080 0.000 0.860 205 E CB -0.473 29.285 29.700 0.097 0.000 0.755 205 E HN 0.415 nan 8.360 nan 0.000 0.462 206 G N -1.819 107.077 108.800 0.161 0.000 4.519 206 G HA2 0.527 4.496 3.960 0.015 0.000 0.336 206 G HA3 0.527 4.496 3.960 0.015 0.000 0.336 206 G C 0.102 175.150 174.900 0.247 0.000 1.491 206 G CA 0.109 45.348 45.100 0.232 0.000 1.008 206 G HN 0.277 nan 8.290 nan 0.000 0.515 207 A N 1.340 124.225 122.820 0.109 0.000 2.238 207 A HA 0.170 4.499 4.320 0.015 0.000 0.208 207 A C 1.920 179.527 177.584 0.038 0.000 1.177 207 A CA 0.750 52.822 52.037 0.059 0.000 0.804 207 A CB -0.072 18.917 19.000 -0.019 0.000 0.823 207 A HN 0.518 nan 8.150 nan 0.000 0.482 208 K N -0.435 119.945 120.400 -0.033 0.000 2.281 208 K HA -0.110 4.219 4.320 0.015 0.000 0.203 208 K C -0.536 175.841 176.600 -0.371 0.000 1.046 208 K CA 1.008 57.130 56.287 -0.276 0.000 0.938 208 K CB -0.202 31.996 32.500 -0.503 0.000 0.737 208 K HN 0.454 nan 8.250 nan 0.000 0.458 209 F N 1.034 121.078 119.950 0.156 0.000 2.732 209 F HA 0.177 4.713 4.527 0.015 0.000 0.312 209 F C 1.133 177.069 175.800 0.227 0.000 1.240 209 F CA -0.670 57.461 58.000 0.219 0.000 1.211 209 F CB 0.785 39.919 39.000 0.224 0.000 1.331 209 F HN -0.029 nan 8.300 nan 0.000 0.537 210 S N -2.037 113.794 115.700 0.218 0.000 2.522 210 S HA -0.130 4.349 4.470 0.015 0.000 0.227 210 S C 1.465 176.118 174.600 0.088 0.000 0.986 210 S CA 0.782 59.061 58.200 0.131 0.000 0.929 210 S CB -0.034 63.183 63.200 0.029 0.000 0.769 210 S HN 0.406 nan 8.310 nan 0.000 0.529 211 D N -0.170 120.261 120.400 0.052 0.000 2.349 211 D HA 0.136 4.785 4.640 0.015 0.000 0.214 211 D C 0.007 176.039 176.300 -0.447 0.000 1.063 211 D CA 0.243 54.112 54.000 -0.217 0.000 0.847 211 D CB 0.116 40.724 40.800 -0.320 0.000 0.933 211 D HN 0.558 nan 8.370 nan 0.000 0.513 212 Y N -1.671 118.724 120.300 0.158 0.000 2.610 212 Y HA 0.169 4.728 4.550 0.015 0.000 0.254 212 Y C 1.055 177.056 175.900 0.169 0.000 1.110 212 Y CA -0.582 57.608 58.100 0.150 0.000 1.238 212 Y CB -0.064 38.483 38.460 0.144 0.000 1.322 212 Y HN -0.175 nan 8.280 nan 0.000 0.547 213 F N 2.121 122.188 119.950 0.196 0.000 2.529 213 F HA -0.082 4.454 4.527 0.015 0.000 0.297 213 F C 0.464 176.322 175.800 0.097 0.000 1.114 213 F CA 1.253 59.334 58.000 0.135 0.000 1.467 213 F CB 0.436 39.505 39.000 0.114 0.000 1.096 213 F HN 0.016 nan 8.300 nan 0.000 0.586 214 E N 0.410 120.729 120.200 0.199 0.000 2.349 214 E HA 0.270 4.629 4.350 0.015 0.000 0.290 214 E C -1.745 174.966 176.600 0.184 0.000 0.901 214 E CA -0.618 55.862 56.400 0.134 0.000 0.800 214 E CB 0.366 30.167 29.700 0.168 0.000 1.303 214 E HN 0.376 nan 8.360 nan 0.000 0.397 215 H N 2.489 121.579 119.070 0.032 0.000 3.060 215 H HA 0.486 5.051 4.556 0.015 0.000 0.330 215 H C -1.609 173.735 175.328 0.028 0.000 1.305 215 H CA -0.811 55.259 56.048 0.036 0.000 1.209 215 H CB 1.553 31.374 29.762 0.099 0.000 1.913 215 H HN 0.479 nan 8.280 nan 0.000 0.534 216 D N 2.418 122.749 120.400 -0.114 0.000 2.764 216 D HA 0.199 4.848 4.640 0.015 0.000 0.227 216 D C -1.352 174.806 176.300 -0.236 0.000 1.347 216 D CA -0.446 53.433 54.000 -0.202 0.000 0.953 216 D CB 1.938 42.718 40.800 -0.034 0.000 1.476 216 D HN 0.597 nan 8.370 nan 0.000 0.585 217 E N 0.014 120.037 120.200 -0.295 0.000 2.390 217 E HA 0.602 4.962 4.350 0.015 0.000 0.277 217 E C -3.040 173.505 176.600 -0.091 0.000 0.939 217 E CA -2.622 53.693 56.400 -0.143 0.000 0.769 217 E CB 2.030 31.666 29.700 -0.106 0.000 1.251 217 E HN -0.097 nan 8.360 nan 0.000 0.450 218 P HA -0.053 nan 4.420 nan 0.000 0.260 218 P C 0.395 177.673 177.300 -0.036 0.000 1.207 218 P CA -0.088 62.989 63.100 -0.038 0.000 0.780 218 P CB 0.303 31.987 31.700 -0.027 0.000 0.789 219 L N 5.959 127.163 121.223 -0.032 0.000 2.042 219 L HA -0.208 4.142 4.340 0.015 0.000 0.210 219 L C 2.069 178.931 176.870 -0.013 0.000 1.076 219 L CA 1.929 56.761 54.840 -0.014 0.000 0.749 219 L CB -0.826 41.241 42.059 0.014 0.000 0.893 219 L HN 0.248 nan 8.230 nan 0.000 0.432 220 K N -0.737 119.648 120.400 -0.025 0.000 2.304 220 K HA -0.123 4.207 4.320 0.015 0.000 0.204 220 K C -0.236 176.354 176.600 -0.016 0.000 1.044 220 K CA 1.262 57.535 56.287 -0.024 0.000 0.932 220 K CB -0.056 32.422 32.500 -0.037 0.000 0.735 220 K HN 0.437 nan 8.250 nan 0.000 0.468 221 S N -0.640 115.050 115.700 -0.015 0.000 2.609 221 S HA 0.511 4.990 4.470 0.015 0.000 0.250 221 S C -1.481 173.111 174.600 -0.014 0.000 1.112 221 S CA -0.723 57.470 58.200 -0.011 0.000 1.102 221 S CB 1.785 64.982 63.200 -0.005 0.000 1.124 221 S HN 0.358 nan 8.310 nan 0.000 0.460 222 A N 4.064 126.869 122.820 -0.025 0.000 2.449 222 A HA 0.959 5.288 4.320 0.015 0.000 0.302 222 A C -2.960 174.574 177.584 -0.083 0.000 1.048 222 A CA -1.659 50.352 52.037 -0.045 0.000 0.708 222 A CB 0.978 19.945 19.000 -0.055 0.000 1.274 222 A HN 0.474 nan 8.150 nan 0.000 0.410 223 P HA 0.271 nan 4.420 nan 0.000 0.285 223 P C 0.638 177.659 177.300 -0.464 0.000 1.259 223 P CA -0.197 62.694 63.100 -0.349 0.000 0.794 223 P CB 1.552 32.919 31.700 -0.555 0.000 0.940 224 S N 2.371 117.910 115.700 -0.268 0.000 2.378 224 S HA -0.257 4.222 4.470 0.015 0.000 0.229 224 S C 1.787 176.316 174.600 -0.118 0.000 1.052 224 S CA 1.854 59.985 58.200 -0.115 0.000 1.084 224 S CB -1.169 62.040 63.200 0.015 0.000 0.950 224 S HN 0.702 nan 8.310 nan 0.000 0.440 225 H N 1.485 120.552 119.070 -0.006 0.000 2.253 225 H HA 0.024 4.590 4.556 0.016 0.000 0.296 225 H C 2.296 177.590 175.328 -0.058 0.000 1.074 225 H CA 1.515 57.551 56.048 -0.019 0.000 1.263 225 H CB -0.983 28.799 29.762 0.034 0.000 1.363 225 H HN 0.284 nan 8.280 nan 0.000 0.489 226 R N 1.059 121.451 120.500 -0.179 0.000 2.112 226 R HA -0.170 4.179 4.340 0.015 0.000 0.242 226 R C 2.737 178.846 176.300 -0.317 0.000 1.137 226 R CA 1.906 57.929 56.100 -0.128 0.000 0.944 226 R CB -0.418 29.919 30.300 0.061 0.000 0.857 226 R HN 0.434 nan 8.270 nan 0.000 0.435 227 A N 0.706 123.385 122.820 -0.234 0.000 1.865 227 A HA -0.193 4.136 4.320 0.015 0.000 0.217 227 A C 2.187 179.704 177.584 -0.112 0.000 1.191 227 A CA 1.512 53.426 52.037 -0.205 0.000 0.623 227 A CB -0.710 18.258 19.000 -0.054 0.000 0.826 227 A HN 0.303 nan 8.150 nan 0.000 0.444 228 L N -0.723 120.479 121.223 -0.035 0.000 2.079 228 L HA -0.213 4.136 4.340 0.015 0.000 0.210 228 L C 3.066 179.873 176.870 -0.105 0.000 1.081 228 L CA 1.064 55.909 54.840 0.009 0.000 0.752 228 L CB -0.515 41.515 42.059 -0.049 0.000 0.896 228 L HN 0.460 nan 8.230 nan 0.000 0.433 229 A N 0.476 123.151 122.820 -0.242 0.000 1.845 229 A HA -0.208 4.121 4.320 0.015 0.000 0.215 229 A C 2.223 179.622 177.584 -0.308 0.000 1.195 229 A CA 1.806 53.681 52.037 -0.268 0.000 0.616 229 A CB -0.760 17.968 19.000 -0.453 0.000 0.832 229 A HN 0.336 nan 8.150 nan 0.000 0.443 230 I N -1.619 118.630 120.570 -0.535 0.000 2.151 230 I HA -0.311 3.869 4.170 0.015 0.000 0.243 230 I C 2.387 178.213 176.117 -0.485 0.000 1.080 230 I CA 1.791 62.752 61.300 -0.565 0.000 1.339 230 I CB -0.537 37.062 38.000 -0.670 0.000 1.039 230 I HN 0.350 nan 8.210 nan 0.000 0.409 231 F N 0.436 120.196 119.950 -0.316 0.000 2.171 231 F HA -0.178 4.358 4.527 0.015 0.000 0.300 231 F C 2.774 178.450 175.800 -0.207 0.000 1.090 231 F CA 1.080 58.923 58.000 -0.262 0.000 1.293 231 F CB -0.372 38.498 39.000 -0.218 0.000 1.013 231 F HN -0.115 nan 8.300 nan 0.000 0.486 232 R N 0.431 120.936 120.500 0.008 0.000 2.080 232 R HA -0.140 4.209 4.340 0.015 0.000 0.236 232 R C 2.498 178.739 176.300 -0.097 0.000 1.137 232 R CA 1.684 57.807 56.100 0.039 0.000 0.943 232 R CB -0.981 29.391 30.300 0.121 0.000 0.846 232 R HN 0.344 nan 8.270 nan 0.000 0.431 233 G N -0.149 108.322 108.800 -0.549 0.000 2.394 233 G HA2 -0.253 3.717 3.960 0.015 0.000 0.215 233 G HA3 -0.253 3.717 3.960 0.015 0.000 0.215 233 G C 1.400 175.994 174.900 -0.510 0.000 1.165 233 G CA 0.465 44.848 45.100 -1.194 0.000 0.784 233 G HN 0.266 nan 8.290 nan 0.000 0.535 234 R N 0.366 120.652 120.500 -0.356 0.000 2.080 234 R HA -0.107 4.242 4.340 0.015 0.000 0.236 234 R C 2.318 178.564 176.300 -0.091 0.000 1.137 234 R CA 1.565 57.547 56.100 -0.196 0.000 0.943 234 R CB -0.505 29.695 30.300 -0.166 0.000 0.846 234 R HN 0.278 nan 8.270 nan 0.000 0.431 235 N N 0.561 119.236 118.700 -0.041 0.000 2.166 235 N HA -0.176 4.573 4.740 0.015 0.000 0.186 235 N C 1.431 176.948 175.510 0.012 0.000 1.019 235 N CA 1.242 54.296 53.050 0.007 0.000 0.856 235 N CB -0.025 38.482 38.487 0.032 0.000 0.993 235 N HN 0.220 nan 8.380 nan 0.000 0.426 236 E N -0.164 120.040 120.200 0.006 0.000 2.333 236 E HA -0.024 4.335 4.350 0.015 0.000 0.198 236 E C 0.651 177.275 176.600 0.040 0.000 1.007 236 E CA 0.766 57.200 56.400 0.057 0.000 0.845 236 E CB -0.512 29.263 29.700 0.124 0.000 0.766 236 E HN 0.498 nan 8.360 nan 0.000 0.507 237 G N -1.396 107.400 108.800 -0.006 0.000 2.207 237 G HA2 -0.192 3.777 3.960 0.015 0.000 0.216 237 G HA3 -0.192 3.777 3.960 0.015 0.000 0.216 237 G C 0.552 175.453 174.900 0.001 0.000 1.053 237 G CA 0.200 45.302 45.100 0.003 0.000 0.764 237 G HN 0.182 nan 8.290 nan 0.000 0.495 238 V N -0.755 119.126 119.914 -0.055 0.000 3.103 238 V HA 0.421 4.550 4.120 0.015 0.000 0.229 238 V C 1.507 177.538 176.094 -0.105 0.000 1.304 238 V CA 0.935 63.215 62.300 -0.034 0.000 1.298 238 V CB 0.065 31.888 31.823 -0.001 0.000 1.093 238 V HN 0.328 nan 8.190 nan 0.000 0.489 239 L N 0.025 121.119 121.223 -0.215 0.000 2.387 239 L HA 0.570 4.919 4.340 0.015 0.000 0.266 239 L C -0.185 176.579 176.870 -0.175 0.000 1.059 239 L CA 0.006 54.705 54.840 -0.235 0.000 0.801 239 L CB 1.503 43.372 42.059 -0.316 0.000 1.223 239 L HN 0.081 nan 8.230 nan 0.000 0.456 240 S N 0.574 116.174 115.700 -0.166 0.000 2.756 240 S HA 0.657 5.136 4.470 0.015 0.000 0.303 240 S C -0.476 174.070 174.600 -0.089 0.000 1.135 240 S CA -0.588 57.552 58.200 -0.100 0.000 1.066 240 S CB 1.692 64.846 63.200 -0.077 0.000 1.008 240 S HN 0.655 nan 8.310 nan 0.000 0.482 241 A N 2.649 125.433 122.820 -0.060 0.000 2.282 241 A HA 0.952 5.281 4.320 0.015 0.000 0.319 241 A C 0.045 177.767 177.584 0.231 0.000 1.121 241 A CA -0.624 51.396 52.037 -0.027 0.000 0.836 241 A CB 0.785 19.589 19.000 -0.327 0.000 1.146 241 A HN 1.229 nan 8.150 nan 0.000 0.494 242 S N 0.160 116.041 115.700 0.301 0.000 2.586 242 S HA 0.566 5.045 4.470 0.015 0.000 0.277 242 S C -1.262 173.493 174.600 0.257 0.000 1.131 242 S CA -0.785 57.597 58.200 0.304 0.000 0.848 242 S CB 0.147 63.453 63.200 0.178 0.000 1.091 242 S HN 0.715 nan 8.310 nan 0.000 0.453 243 L N 1.457 122.813 121.223 0.222 0.000 2.334 243 L HA 0.721 5.070 4.340 0.015 0.000 0.275 243 L C -0.102 176.909 176.870 0.236 0.000 1.036 243 L CA -0.737 54.210 54.840 0.178 0.000 0.807 243 L CB 1.718 43.825 42.059 0.081 0.000 1.231 243 L HN 0.748 nan 8.230 nan 0.000 0.438 244 K N 1.297 121.802 120.400 0.174 0.000 2.508 244 K HA 0.710 5.039 4.320 0.015 0.000 0.260 244 K C -1.712 174.969 176.600 0.134 0.000 0.949 244 K CA -0.769 55.630 56.287 0.187 0.000 0.834 244 K CB 3.066 35.640 32.500 0.123 0.000 1.365 244 K HN 0.218 nan 8.250 nan 0.000 0.437 245 V N 1.679 121.679 119.914 0.143 0.000 2.488 245 V HA 0.558 4.688 4.120 0.015 0.000 0.293 245 V C 0.469 176.559 176.094 -0.007 0.000 1.027 245 V CA -0.303 62.020 62.300 0.040 0.000 0.862 245 V CB 0.493 32.333 31.823 0.028 0.000 1.008 245 V HN 1.093 nan 8.190 nan 0.000 0.428 246 G N 4.594 113.385 108.800 -0.015 0.000 2.564 246 G HA2 -0.241 3.728 3.960 0.015 0.000 0.273 246 G HA3 -0.241 3.728 3.960 0.015 0.000 0.273 246 G C -0.186 174.721 174.900 0.011 0.000 1.242 246 G CA 0.640 45.733 45.100 -0.012 0.000 0.951 246 G HN 1.056 nan 8.290 nan 0.000 0.564 247 E N 1.273 121.480 120.200 0.011 0.000 2.113 247 E HA 0.518 4.877 4.350 0.015 0.000 0.273 247 E C 0.310 176.932 176.600 0.037 0.000 0.924 247 E CA -0.171 56.246 56.400 0.028 0.000 0.764 247 E CB 0.511 30.223 29.700 0.021 0.000 1.104 247 E HN 0.704 nan 8.360 nan 0.000 0.406 248 E N 2.868 123.114 120.200 0.077 0.000 2.868 248 E HA 0.076 4.435 4.350 0.015 0.000 0.246 248 E C -0.251 176.379 176.600 0.049 0.000 0.962 248 E CA 0.424 56.877 56.400 0.088 0.000 0.955 248 E CB 0.614 30.383 29.700 0.116 0.000 0.903 248 E HN 0.476 nan 8.360 nan 0.000 0.524 249 A N 4.678 127.521 122.820 0.038 0.000 3.699 249 A HA 0.472 4.801 4.320 0.015 0.000 0.167 249 A C -0.950 176.647 177.584 0.022 0.000 1.780 249 A CA -0.488 51.564 52.037 0.025 0.000 1.483 249 A CB -1.130 17.881 19.000 0.018 0.000 1.720 249 A HN 0.615 nan 8.150 nan 0.000 0.671 250 P HA 0.145 nan 4.420 nan 0.000 0.208 250 P C 0.495 177.809 177.300 0.023 0.000 1.200 250 P CA 1.641 64.752 63.100 0.018 0.000 0.924 250 P CB -0.115 31.594 31.700 0.016 0.000 0.774 251 G N -0.819 107.994 108.800 0.023 0.000 3.948 251 G HA2 0.429 4.398 3.960 0.015 0.000 0.300 251 G HA3 0.429 4.398 3.960 0.015 0.000 0.300 251 G C -0.723 174.191 174.900 0.023 0.000 1.318 251 G CA -0.162 44.953 45.100 0.026 0.000 0.768 251 G HN 0.048 nan 8.290 nan 0.000 0.504 252 T N 0.886 115.456 114.554 0.027 0.000 2.942 252 T HA 0.521 4.880 4.350 0.015 0.000 0.289 252 T C -0.498 174.214 174.700 0.020 0.000 1.044 252 T CA -0.649 61.460 62.100 0.016 0.000 1.023 252 T CB 2.181 71.053 68.868 0.007 0.000 1.123 252 T HN 0.273 nan 8.240 nan 0.000 0.512 253 L N 2.663 123.884 121.223 -0.003 0.000 2.361 253 L HA 0.298 4.647 4.340 0.015 0.000 0.278 253 L C -0.022 176.826 176.870 -0.036 0.000 1.113 253 L CA -0.108 54.724 54.840 -0.014 0.000 0.849 253 L CB -0.329 41.708 42.059 -0.037 0.000 1.155 253 L HN 0.675 nan 8.230 nan 0.000 0.452 254 H N 6.932 125.928 119.070 -0.123 0.000 2.803 254 H HA 0.208 4.773 4.556 0.015 0.000 0.330 254 H C -1.827 173.345 175.328 -0.259 0.000 1.057 254 H CA -0.930 55.001 56.048 -0.194 0.000 1.458 254 H CB 1.048 30.612 29.762 -0.329 0.000 1.470 254 H HN 0.545 nan 8.280 nan 0.000 0.560 255 P HA -0.264 nan 4.420 nan 0.000 0.216 255 P C 1.081 178.115 177.300 -0.444 0.000 1.154 255 P CA 1.582 64.433 63.100 -0.416 0.000 0.865 255 P CB 0.100 31.633 31.700 -0.280 0.000 0.789 256 C N -1.139 117.895 119.300 -0.444 0.000 2.446 256 C HA -0.045 4.425 4.460 0.015 0.000 0.279 256 C C 2.430 177.180 174.990 -0.399 0.000 1.366 256 C CA 0.575 59.301 59.018 -0.485 0.000 1.763 256 C CB -1.580 25.681 27.740 -0.799 0.000 1.929 256 C HN 0.355 nan 8.230 nan 0.000 0.509 257 E N 0.442 120.428 120.200 -0.357 0.000 2.265 257 E HA -0.136 4.224 4.350 0.015 0.000 0.196 257 E C 2.001 178.513 176.600 -0.146 0.000 0.996 257 E CA 0.942 57.223 56.400 -0.198 0.000 0.832 257 E CB 0.022 29.649 29.700 -0.122 0.000 0.756 257 E HN 0.531 nan 8.360 nan 0.000 0.491 258 V N 0.831 120.629 119.914 -0.192 0.000 2.302 258 V HA -0.227 3.903 4.120 0.015 0.000 0.243 258 V C 2.255 178.236 176.094 -0.187 0.000 1.036 258 V CA 1.431 63.630 62.300 -0.169 0.000 1.020 258 V CB -0.364 31.349 31.823 -0.184 0.000 0.657 258 V HN 0.267 nan 8.190 nan 0.000 0.453 259 M N -0.453 118.995 119.600 -0.254 0.000 2.106 259 M HA -0.213 4.276 4.480 0.015 0.000 0.259 259 M C 2.141 178.319 176.300 -0.203 0.000 1.068 259 M CA 2.072 57.220 55.300 -0.253 0.000 1.100 259 M CB -0.522 31.881 32.600 -0.329 0.000 1.351 259 M HN 0.286 nan 8.290 nan 0.000 0.404 260 I N -0.294 120.185 120.570 -0.152 0.000 2.208 260 I HA -0.293 3.886 4.170 0.015 0.000 0.245 260 I C 2.648 178.713 176.117 -0.086 0.000 1.097 260 I CA 1.341 62.591 61.300 -0.083 0.000 1.363 260 I CB -0.679 37.335 38.000 0.024 0.000 1.051 260 I HN 0.283 nan 8.210 nan 0.000 0.413 261 A N 0.881 123.655 122.820 -0.077 0.000 1.855 261 A HA -0.204 4.125 4.320 0.015 0.000 0.215 261 A C 2.180 179.713 177.584 -0.085 0.000 1.191 261 A CA 1.610 53.618 52.037 -0.048 0.000 0.613 261 A CB -0.673 18.297 19.000 -0.050 0.000 0.829 261 A HN 0.459 nan 8.150 nan 0.000 0.442 262 E N -0.575 119.547 120.200 -0.130 0.000 2.114 262 E HA -0.256 4.103 4.350 0.015 0.000 0.199 262 E C 2.179 178.659 176.600 -0.200 0.000 1.008 262 E CA 1.110 57.424 56.400 -0.143 0.000 0.810 262 E CB -0.282 29.326 29.700 -0.153 0.000 0.739 262 E HN 0.313 nan 8.360 nan 0.000 0.456 263 R N 0.353 120.655 120.500 -0.329 0.000 2.170 263 R HA -0.117 4.233 4.340 0.015 0.000 0.242 263 R C 0.733 176.597 176.300 -0.728 0.000 1.145 263 R CA 1.234 56.991 56.100 -0.572 0.000 0.984 263 R CB -0.130 29.688 30.300 -0.803 0.000 0.869 263 R HN 0.263 nan 8.270 nan 0.000 0.455 264 F N -0.966 118.915 119.950 -0.115 0.000 2.764 264 F HA 0.293 4.829 4.527 0.015 0.000 0.310 264 F C 1.107 176.869 175.800 -0.064 0.000 1.124 264 F CA 0.047 58.025 58.000 -0.035 0.000 1.252 264 F CB 0.679 39.654 39.000 -0.042 0.000 1.010 264 F HN 0.054 nan 8.300 nan 0.000 0.518 265 G N 2.188 110.993 108.800 0.008 0.000 2.412 265 G HA2 -0.302 3.667 3.960 0.015 0.000 0.297 265 G HA3 -0.302 3.667 3.960 0.015 0.000 0.297 265 G C -0.275 174.591 174.900 -0.056 0.000 0.965 265 G CA -0.007 45.075 45.100 -0.030 0.000 1.134 265 G HN 0.405 nan 8.290 nan 0.000 0.511 266 L N 1.647 122.844 121.223 -0.042 0.000 2.283 266 L HA 0.471 4.820 4.340 0.015 0.000 0.281 266 L C 0.740 177.580 176.870 -0.050 0.000 1.033 266 L CA -0.448 54.354 54.840 -0.063 0.000 0.848 266 L CB 1.277 43.319 42.059 -0.030 0.000 1.226 266 L HN 0.410 nan 8.230 nan 0.000 0.429 267 S N 1.234 116.902 115.700 -0.053 0.000 2.638 267 S HA 0.343 4.822 4.470 0.015 0.000 0.298 267 S C -0.324 174.257 174.600 -0.031 0.000 1.111 267 S CA -0.892 57.283 58.200 -0.042 0.000 1.027 267 S CB 1.991 65.167 63.200 -0.041 0.000 1.064 267 S HN 0.604 nan 8.310 nan 0.000 0.525 268 N N 1.284 119.970 118.700 -0.023 0.000 2.955 268 N HA 0.125 4.874 4.740 0.015 0.000 0.242 268 N C 0.999 176.502 175.510 -0.011 0.000 1.123 268 N CA -0.527 52.515 53.050 -0.012 0.000 0.949 268 N CB 0.251 38.734 38.487 -0.007 0.000 1.214 268 N HN 0.516 nan 8.380 nan 0.000 0.504 269 Q N 1.148 120.941 119.800 -0.012 0.000 1.941 269 Q HA 0.049 4.398 4.340 0.015 0.000 0.201 269 Q C 1.142 177.139 176.000 -0.004 0.000 0.982 269 Q CA 1.483 57.281 55.803 -0.010 0.000 0.839 269 Q CB -0.068 28.663 28.738 -0.012 0.000 0.904 269 Q HN 0.636 nan 8.270 nan 0.000 0.427 270 G N -0.083 108.717 108.800 0.000 0.000 4.718 270 G HA2 0.039 4.008 3.960 0.015 0.000 0.221 270 G HA3 0.039 4.008 3.960 0.015 0.000 0.221 270 G C -0.316 174.589 174.900 0.008 0.000 0.720 270 G CA -0.692 44.411 45.100 0.006 0.000 1.094 270 G HN 0.027 nan 8.290 nan 0.000 0.760 271 R N 0.059 120.564 120.500 0.008 0.000 2.726 271 R HA 0.583 4.932 4.340 0.015 0.000 0.272 271 R C 1.884 178.196 176.300 0.020 0.000 1.097 271 R CA 0.230 56.336 56.100 0.009 0.000 1.198 271 R CB 0.600 30.901 30.300 0.003 0.000 1.114 271 R HN 0.153 nan 8.270 nan 0.000 0.550 272 A N 1.288 124.118 122.820 0.016 0.000 1.865 272 A HA -0.228 4.101 4.320 0.015 0.000 0.217 272 A C 2.183 179.797 177.584 0.049 0.000 1.191 272 A CA 2.141 54.191 52.037 0.020 0.000 0.623 272 A CB -1.023 17.977 19.000 -0.000 0.000 0.826 272 A HN 0.816 nan 8.150 nan 0.000 0.444 273 A N -0.300 122.556 122.820 0.060 0.000 1.969 273 A HA -0.125 4.204 4.320 0.015 0.000 0.218 273 A C 1.633 179.319 177.584 0.170 0.000 1.169 273 A CA 1.841 53.962 52.037 0.140 0.000 0.635 273 A CB -0.724 18.356 19.000 0.133 0.000 0.810 273 A HN 0.466 nan 8.150 nan 0.000 0.445 274 D N -0.224 120.230 120.400 0.089 0.000 2.242 274 D HA -0.242 4.407 4.640 0.015 0.000 0.190 274 D C 1.829 178.170 176.300 0.069 0.000 1.012 274 D CA 1.979 56.015 54.000 0.061 0.000 0.875 274 D CB -0.164 40.655 40.800 0.030 0.000 0.922 274 D HN 0.590 nan 8.370 nan 0.000 0.448 275 K N -1.171 119.281 120.400 0.088 0.000 2.062 275 K HA -0.131 4.198 4.320 0.015 0.000 0.205 275 K C 2.099 178.757 176.600 0.097 0.000 1.051 275 K CA 0.833 57.168 56.287 0.080 0.000 0.941 275 K CB -0.213 32.336 32.500 0.081 0.000 0.719 275 K HN 0.213 nan 8.250 nan 0.000 0.440 276 W N 1.455 122.737 121.300 -0.030 0.000 2.388 276 W HA -0.116 4.553 4.660 0.015 0.000 0.294 276 W C 1.341 177.834 176.519 -0.043 0.000 1.212 276 W CA 1.167 58.479 57.345 -0.055 0.000 1.271 276 W CB -0.144 29.279 29.460 -0.063 0.000 1.126 276 W HN -0.005 nan 8.180 nan 0.000 0.535 277 L N 0.387 121.615 121.223 0.009 0.000 2.201 277 L HA -0.114 4.236 4.340 0.015 0.000 0.212 277 L C 2.633 179.422 176.870 -0.135 0.000 1.105 277 L CA 1.147 55.913 54.840 -0.122 0.000 0.775 277 L CB -1.158 40.940 42.059 0.066 0.000 0.913 277 L HN 0.063 nan 8.230 nan 0.000 0.440 278 A N 0.032 122.807 122.820 -0.074 0.000 1.968 278 A HA -0.220 4.109 4.320 0.015 0.000 0.217 278 A C 2.280 179.823 177.584 -0.068 0.000 1.169 278 A CA 1.559 53.571 52.037 -0.041 0.000 0.638 278 A CB -0.383 18.613 19.000 -0.006 0.000 0.812 278 A HN 0.515 nan 8.150 nan 0.000 0.446 279 E N 0.033 120.133 120.200 -0.168 0.000 2.072 279 E HA -0.146 4.213 4.350 0.015 0.000 0.191 279 E C 1.835 178.267 176.600 -0.280 0.000 0.985 279 E CA 1.601 57.878 56.400 -0.206 0.000 0.801 279 E CB -0.263 29.224 29.700 -0.354 0.000 0.750 279 E HN 0.357 nan 8.360 nan 0.000 0.452 280 V N 0.457 120.081 119.914 -0.484 0.000 2.626 280 V HA -0.129 4.001 4.120 0.015 0.000 0.252 280 V C 2.069 178.138 176.094 -0.042 0.000 1.067 280 V CA 1.391 63.446 62.300 -0.409 0.000 1.081 280 V CB 0.158 31.587 31.823 -0.656 0.000 0.686 280 V HN 0.267 nan 8.190 nan 0.000 0.468 281 V N 0.460 120.388 119.914 0.023 0.000 2.379 281 V HA -0.165 3.964 4.120 0.015 0.000 0.245 281 V C 2.656 178.864 176.094 0.190 0.000 1.044 281 V CA 2.443 64.825 62.300 0.136 0.000 1.036 281 V CB -0.887 30.981 31.823 0.075 0.000 0.664 281 V HN 0.568 nan 8.190 nan 0.000 0.453 282 R N -1.218 119.395 120.500 0.188 0.000 2.066 282 R HA -0.190 4.159 4.340 0.015 0.000 0.232 282 R C 2.151 178.641 176.300 0.315 0.000 1.131 282 R CA 2.040 58.295 56.100 0.257 0.000 0.955 282 R CB -0.271 30.177 30.300 0.247 0.000 0.851 282 R HN 0.520 nan 8.270 nan 0.000 0.432 283 W N 0.535 121.829 121.300 -0.010 0.000 2.363 283 W HA -0.079 4.590 4.660 0.015 0.000 0.296 283 W C 2.292 178.798 176.519 -0.022 0.000 1.212 283 W CA 1.463 58.776 57.345 -0.054 0.000 1.260 283 W CB -0.883 28.476 29.460 -0.169 0.000 1.131 283 W HN 0.101 nan 8.180 nan 0.000 0.530 284 T N -0.530 114.176 114.554 0.253 0.000 2.720 284 T HA -0.265 4.094 4.350 0.015 0.000 0.268 284 T C 1.488 176.325 174.700 0.227 0.000 1.037 284 T CA 1.656 63.886 62.100 0.217 0.000 1.144 284 T CB -0.688 68.362 68.868 0.303 0.000 0.864 284 T HN 0.388 nan 8.240 nan 0.000 0.444 285 W N 1.696 123.042 121.300 0.075 0.000 2.444 285 W HA 0.035 4.704 4.660 0.015 0.000 0.308 285 W C 1.772 178.291 176.519 0.001 0.000 1.183 285 W CA 0.625 57.994 57.345 0.039 0.000 1.340 285 W CB -0.152 29.310 29.460 0.002 0.000 1.138 285 W HN 0.019 nan 8.180 nan 0.000 0.510 286 K N 0.614 120.897 120.400 -0.196 0.000 2.296 286 K HA -0.046 4.283 4.320 0.015 0.000 0.200 286 K C 1.725 178.134 176.600 -0.319 0.000 1.048 286 K CA 0.816 56.872 56.287 -0.386 0.000 0.966 286 K CB -0.050 32.295 32.500 -0.258 0.000 0.754 286 K HN 0.176 nan 8.250 nan 0.000 0.466 287 V N 0.264 120.056 119.914 -0.204 0.000 3.085 287 V HA -0.005 4.124 4.120 0.015 0.000 0.245 287 V C 1.827 177.888 176.094 -0.056 0.000 1.114 287 V CA 0.897 63.116 62.300 -0.134 0.000 1.108 287 V CB 0.272 32.051 31.823 -0.074 0.000 0.798 287 V HN 0.089 nan 8.190 nan 0.000 0.471 288 K N -0.274 120.109 120.400 -0.029 0.000 2.494 288 K HA 0.342 4.672 4.320 0.015 0.000 0.244 288 K C 1.933 178.528 176.600 -0.009 0.000 1.137 288 K CA 0.169 56.465 56.287 0.014 0.000 0.872 288 K CB -0.562 31.985 32.500 0.078 0.000 1.456 288 K HN 0.101 nan 8.250 nan 0.000 0.435 289 L N 1.134 122.368 121.223 0.019 0.000 2.151 289 L HA -0.268 4.081 4.340 0.015 0.000 0.215 289 L C 2.576 179.299 176.870 -0.245 0.000 1.084 289 L CA 1.704 56.541 54.840 -0.003 0.000 0.764 289 L CB -0.512 41.658 42.059 0.184 0.000 0.891 289 L HN 0.277 nan 8.230 nan 0.000 0.435 290 Y N 0.848 120.731 120.300 -0.694 0.000 2.109 290 Y HA -0.256 4.303 4.550 0.015 0.000 0.285 290 Y C 2.734 178.378 175.900 -0.426 0.000 1.131 290 Y CA 2.266 59.831 58.100 -0.891 0.000 1.121 290 Y CB -0.430 37.316 38.460 -1.191 0.000 0.987 290 Y HN 0.023 nan 8.280 nan 0.000 0.495 291 T N -0.672 113.757 114.554 -0.209 0.000 2.803 291 T HA -0.253 4.106 4.350 0.015 0.000 0.269 291 T C 1.597 176.188 174.700 -0.182 0.000 1.052 291 T CA 1.856 63.844 62.100 -0.187 0.000 1.136 291 T CB -0.631 68.206 68.868 -0.053 0.000 0.864 291 T HN 0.627 nan 8.240 nan 0.000 0.467 292 H N 0.633 119.562 119.070 -0.235 0.000 2.276 292 H HA 0.039 4.604 4.556 0.015 0.000 0.301 292 H C 2.197 177.403 175.328 -0.204 0.000 1.073 292 H CA 0.982 56.931 56.048 -0.165 0.000 1.311 292 H CB -0.138 29.564 29.762 -0.100 0.000 1.379 292 H HN 0.204 nan 8.280 nan 0.000 0.494 293 L N 0.510 121.642 121.223 -0.152 0.000 2.042 293 L HA -0.200 4.149 4.340 0.015 0.000 0.210 293 L C 2.674 179.357 176.870 -0.311 0.000 1.076 293 L CA 1.726 56.432 54.840 -0.224 0.000 0.749 293 L CB -0.572 41.364 42.059 -0.204 0.000 0.893 293 L HN 0.520 nan 8.230 nan 0.000 0.432 294 E N -0.002 119.860 120.200 -0.563 0.000 2.038 294 E HA -0.239 4.120 4.350 0.015 0.000 0.195 294 E C 1.985 178.270 176.600 -0.525 0.000 1.000 294 E CA 2.235 58.172 56.400 -0.772 0.000 0.803 294 E CB 0.004 29.122 29.700 -0.970 0.000 0.750 294 E HN 0.385 nan 8.360 nan 0.000 0.448 295 T N 1.110 115.500 114.554 -0.274 0.000 2.635 295 T HA -0.193 4.166 4.350 0.015 0.000 0.267 295 T C 1.368 176.067 174.700 -0.001 0.000 1.040 295 T CA 1.625 63.683 62.100 -0.070 0.000 1.156 295 T CB -0.555 68.291 68.868 -0.036 0.000 0.863 295 T HN 0.236 nan 8.240 nan 0.000 0.430 296 D N 0.908 121.315 120.400 0.011 0.000 2.104 296 D HA -0.041 4.608 4.640 0.015 0.000 0.194 296 D C 2.151 178.469 176.300 0.031 0.000 0.994 296 D CA 0.865 54.890 54.000 0.041 0.000 0.830 296 D CB -0.443 40.383 40.800 0.043 0.000 0.959 296 D HN 0.303 nan 8.370 nan 0.000 0.452 297 L N -0.569 120.646 121.223 -0.014 0.000 2.044 297 L HA -0.085 4.264 4.340 0.015 0.000 0.205 297 L C 2.545 179.542 176.870 0.210 0.000 1.075 297 L CA 0.747 55.612 54.840 0.042 0.000 0.747 297 L CB -0.480 41.561 42.059 -0.030 0.000 0.903 297 L HN 0.061 nan 8.230 nan 0.000 0.435 298 F N 0.407 120.393 119.950 0.059 0.000 2.069 298 F HA -0.227 4.310 4.527 0.015 0.000 0.298 298 F C 2.459 178.303 175.800 0.073 0.000 1.113 298 F CA 0.752 58.858 58.000 0.176 0.000 1.214 298 F CB -0.674 38.463 39.000 0.229 0.000 0.978 298 F HN 0.179 nan 8.300 nan 0.000 0.474 299 G N -0.834 108.085 108.800 0.199 0.000 2.564 299 G HA2 -0.247 3.722 3.960 0.015 0.000 0.216 299 G HA3 -0.247 3.722 3.960 0.015 0.000 0.216 299 G C 1.275 176.178 174.900 0.006 0.000 1.124 299 G CA 0.696 45.804 45.100 0.015 0.000 0.764 299 G HN 0.400 nan 8.290 nan 0.000 0.550 300 E N -0.821 119.417 120.200 0.064 0.000 2.166 300 E HA 0.046 4.405 4.350 0.015 0.000 0.192 300 E C 2.255 178.877 176.600 0.036 0.000 0.967 300 E CA -0.085 56.338 56.400 0.038 0.000 0.840 300 E CB -0.025 29.705 29.700 0.050 0.000 0.795 300 E HN 0.292 nan 8.360 nan 0.000 0.470 301 L N 1.603 122.885 121.223 0.098 0.000 2.027 301 L HA -0.098 4.251 4.340 0.015 0.000 0.206 301 L C 2.414 179.317 176.870 0.055 0.000 1.074 301 L CA 1.694 56.601 54.840 0.112 0.000 0.745 301 L CB -0.490 41.704 42.059 0.225 0.000 0.898 301 L HN -0.013 nan 8.230 nan 0.000 0.433 302 R N -0.468 119.998 120.500 -0.057 0.000 2.083 302 R HA -0.200 4.149 4.340 0.015 0.000 0.237 302 R C 1.949 178.158 176.300 -0.153 0.000 1.137 302 R CA 1.978 57.905 56.100 -0.287 0.000 0.951 302 R CB -0.493 29.396 30.300 -0.685 0.000 0.851 302 R HN 0.444 nan 8.270 nan 0.000 0.434 303 D N -0.970 119.362 120.400 -0.112 0.000 2.221 303 D HA -0.118 4.531 4.640 0.015 0.000 0.204 303 D C 1.551 177.812 176.300 -0.066 0.000 0.982 303 D CA 1.477 55.429 54.000 -0.081 0.000 0.857 303 D CB -0.189 40.575 40.800 -0.059 0.000 0.934 303 D HN 0.529 nan 8.370 nan 0.000 0.475 304 G N 0.439 109.211 108.800 -0.047 0.000 2.408 304 G HA2 -0.002 3.967 3.960 0.015 0.000 0.213 304 G HA3 -0.002 3.967 3.960 0.015 0.000 0.213 304 G C 1.735 176.609 174.900 -0.043 0.000 1.177 304 G CA 0.829 45.904 45.100 -0.041 0.000 0.802 304 G HN 0.335 nan 8.290 nan 0.000 0.533 305 A N 1.282 124.082 122.820 -0.033 0.000 1.917 305 A HA -0.103 4.226 4.320 0.015 0.000 0.219 305 A C 2.131 179.680 177.584 -0.059 0.000 1.182 305 A CA 2.074 54.090 52.037 -0.035 0.000 0.633 305 A CB -0.479 18.518 19.000 -0.005 0.000 0.819 305 A HN 0.463 nan 8.150 nan 0.000 0.448 306 E N -0.261 119.898 120.200 -0.068 0.000 2.051 306 E HA -0.212 4.147 4.350 0.015 0.000 0.192 306 E C 1.630 178.174 176.600 -0.093 0.000 0.991 306 E CA 1.153 57.508 56.400 -0.076 0.000 0.799 306 E CB -0.334 29.327 29.700 -0.065 0.000 0.748 306 E HN 0.573 nan 8.360 nan 0.000 0.449 307 D N 0.917 121.270 120.400 -0.078 0.000 2.242 307 D HA -0.213 4.436 4.640 0.015 0.000 0.193 307 D C 1.836 178.077 176.300 -0.098 0.000 1.005 307 D CA 1.158 55.112 54.000 -0.076 0.000 0.856 307 D CB -0.335 40.425 40.800 -0.066 0.000 1.001 307 D HN 0.081 nan 8.370 nan 0.000 0.452 308 E N 0.222 120.368 120.200 -0.089 0.000 2.072 308 E HA -0.322 4.038 4.350 0.015 0.000 0.218 308 E C 2.084 178.572 176.600 -0.187 0.000 1.051 308 E CA 1.529 57.871 56.400 -0.096 0.000 0.880 308 E CB -0.640 29.026 29.700 -0.056 0.000 0.783 308 E HN 0.265 nan 8.360 nan 0.000 0.473 309 A N 1.239 123.908 122.820 -0.252 0.000 1.896 309 A HA -0.246 4.083 4.320 0.015 0.000 0.220 309 A C 2.360 179.378 177.584 -0.944 0.000 1.206 309 A CA 2.253 53.954 52.037 -0.560 0.000 0.647 309 A CB -1.007 17.718 19.000 -0.458 0.000 0.828 309 A HN 0.328 nan 8.150 nan 0.000 0.455 310 I N -0.737 119.522 120.570 -0.517 0.000 2.756 310 I HA -0.154 4.025 4.170 0.015 0.000 0.262 310 I C 2.618 178.661 176.117 -0.122 0.000 1.225 310 I CA 1.237 62.381 61.300 -0.259 0.000 1.472 310 I CB -0.190 37.783 38.000 -0.046 0.000 1.094 310 I HN 0.406 nan 8.210 nan 0.000 0.454 311 S N 0.348 115.960 115.700 -0.147 0.000 2.395 311 S HA -0.061 4.418 4.470 0.015 0.000 0.225 311 S C 2.028 176.605 174.600 -0.038 0.000 1.027 311 S CA 0.771 58.933 58.200 -0.062 0.000 0.965 311 S CB 0.002 63.166 63.200 -0.061 0.000 0.812 311 S HN 0.233 nan 8.310 nan 0.000 0.482 312 V N 1.644 121.496 119.914 -0.103 0.000 2.323 312 V HA -0.056 4.074 4.120 0.015 0.000 0.244 312 V C 2.122 178.310 176.094 0.157 0.000 1.041 312 V CA 1.440 63.735 62.300 -0.007 0.000 1.025 312 V CB -1.012 30.785 31.823 -0.043 0.000 0.656 312 V HN 0.437 nan 8.190 nan 0.000 0.451 313 F N 1.379 121.357 119.950 0.048 0.000 2.202 313 F HA -0.120 4.416 4.527 0.015 0.000 0.301 313 F C 2.495 178.324 175.800 0.048 0.000 1.082 313 F CA 0.790 58.819 58.000 0.048 0.000 1.313 313 F CB -1.604 37.425 39.000 0.050 0.000 1.024 313 F HN 0.140 nan 8.300 nan 0.000 0.495 314 A N -0.048 122.905 122.820 0.222 0.000 1.877 314 A HA -0.184 4.145 4.320 0.015 0.000 0.216 314 A C 2.504 180.173 177.584 0.141 0.000 1.186 314 A CA 1.443 53.568 52.037 0.148 0.000 0.620 314 A CB -0.560 18.492 19.000 0.086 0.000 0.822 314 A HN 0.122 nan 8.150 nan 0.000 0.443 315 R N 0.252 120.819 120.500 0.112 0.000 2.066 315 R HA -0.111 4.238 4.340 0.015 0.000 0.232 315 R C 1.836 178.221 176.300 0.142 0.000 1.131 315 R CA 1.690 57.849 56.100 0.098 0.000 0.955 315 R CB -0.963 29.371 30.300 0.056 0.000 0.851 315 R HN 0.578 nan 8.270 nan 0.000 0.432 316 N N 1.280 120.065 118.700 0.142 0.000 2.018 316 N HA -0.225 4.524 4.740 0.015 0.000 0.196 316 N C 1.775 177.349 175.510 0.106 0.000 1.043 316 N CA 1.392 54.515 53.050 0.122 0.000 0.856 316 N CB -0.718 37.848 38.487 0.132 0.000 1.042 316 N HN 0.133 nan 8.380 nan 0.000 0.423 317 L N 1.315 122.604 121.223 0.110 0.000 2.012 317 L HA -0.191 4.158 4.340 0.015 0.000 0.210 317 L C 2.351 179.268 176.870 0.079 0.000 1.073 317 L CA 1.873 56.759 54.840 0.076 0.000 0.748 317 L CB -1.093 41.011 42.059 0.076 0.000 0.891 317 L HN 0.389 nan 8.230 nan 0.000 0.431 318 H N -0.540 118.553 119.070 0.037 0.000 2.353 318 H HA -0.185 4.380 4.556 0.015 0.000 0.298 318 H C 1.632 176.974 175.328 0.024 0.000 1.103 318 H CA 2.164 58.230 56.048 0.030 0.000 1.293 318 H CB 0.016 29.797 29.762 0.032 0.000 1.372 318 H HN 0.442 nan 8.280 nan 0.000 0.501 319 D N 0.394 120.892 120.400 0.164 0.000 2.117 319 D HA -0.112 4.537 4.640 0.015 0.000 0.198 319 D C 2.459 178.764 176.300 0.008 0.000 0.982 319 D CA 0.317 54.377 54.000 0.101 0.000 0.828 319 D CB -0.293 40.574 40.800 0.112 0.000 0.967 319 D HN 0.256 nan 8.370 nan 0.000 0.464 320 L N 0.650 121.876 121.223 0.006 0.000 2.056 320 L HA -0.056 4.293 4.340 0.015 0.000 0.207 320 L C 2.319 179.162 176.870 -0.044 0.000 1.078 320 L CA 1.127 55.959 54.840 -0.013 0.000 0.749 320 L CB -0.665 41.391 42.059 -0.006 0.000 0.901 320 L HN 0.062 nan 8.230 nan 0.000 0.433 321 L N -1.279 119.900 121.223 -0.074 0.000 2.131 321 L HA -0.205 4.144 4.340 0.015 0.000 0.210 321 L C 1.632 178.435 176.870 -0.111 0.000 1.092 321 L CA 0.992 55.773 54.840 -0.097 0.000 0.759 321 L CB -0.333 41.652 42.059 -0.124 0.000 0.903 321 L HN 0.236 nan 8.230 nan 0.000 0.435 322 L N -0.416 120.721 121.223 -0.143 0.000 2.728 322 L HA 0.275 4.625 4.340 0.015 0.000 0.235 322 L C 1.067 177.910 176.870 -0.046 0.000 1.197 322 L CA -0.701 54.074 54.840 -0.108 0.000 0.992 322 L CB -0.348 41.620 42.059 -0.152 0.000 1.263 322 L HN 0.059 nan 8.230 nan 0.000 0.484 323 A N 0.780 123.580 122.820 -0.032 0.000 2.475 323 A HA 0.484 4.813 4.320 0.015 0.000 0.239 323 A C 0.725 178.317 177.584 0.013 0.000 1.087 323 A CA 0.181 52.218 52.037 0.000 0.000 0.779 323 A CB 0.260 19.262 19.000 0.003 0.000 1.036 323 A HN 0.334 nan 8.150 nan 0.000 0.506 324 A N 2.177 125.034 122.820 0.061 0.000 2.409 324 A HA 0.571 4.901 4.320 0.015 0.000 0.262 324 A C -2.174 175.434 177.584 0.040 0.000 1.113 324 A CA -1.341 50.754 52.037 0.095 0.000 0.790 324 A CB -0.279 18.847 19.000 0.210 0.000 1.046 324 A HN 0.634 nan 8.150 nan 0.000 0.496 325 P HA 0.297 nan 4.420 nan 0.000 0.287 325 P C 0.315 177.411 177.300 -0.341 0.000 1.294 325 P CA 0.048 63.057 63.100 -0.153 0.000 0.776 325 P CB 1.646 33.288 31.700 -0.098 0.000 0.889 326 A N 4.066 126.501 122.820 -0.641 0.000 1.984 326 A HA 0.251 4.580 4.320 0.015 0.000 0.214 326 A C 1.401 178.663 177.584 -0.537 0.000 1.173 326 A CA 0.997 52.341 52.037 -1.155 0.000 0.673 326 A CB -0.920 17.105 19.000 -1.626 0.000 0.830 326 A HN 0.588 nan 8.150 nan 0.000 0.453 327 G N -0.006 108.601 108.800 -0.322 0.000 2.583 327 G HA2 0.391 4.361 3.960 0.015 0.000 0.275 327 G HA3 0.391 4.361 3.960 0.015 0.000 0.275 327 G C -2.450 172.374 174.900 -0.126 0.000 1.342 327 G CA -0.649 44.342 45.100 -0.182 0.000 1.030 327 G HN 0.220 nan 8.290 nan 0.000 0.520 328 P HA 0.339 nan 4.420 nan 0.000 0.256 328 P C -0.311 176.958 177.300 -0.051 0.000 1.689 328 P CA 0.063 63.126 63.100 -0.061 0.000 1.124 328 P CB 0.325 32.003 31.700 -0.037 0.000 1.766 329 R N 1.440 121.902 120.500 -0.064 0.000 2.930 329 R HA 0.811 5.160 4.340 0.015 0.000 0.257 329 R C -0.377 175.899 176.300 -0.040 0.000 1.107 329 R CA -1.270 54.803 56.100 -0.044 0.000 0.999 329 R CB 1.638 31.910 30.300 -0.046 0.000 1.209 329 R HN 0.261 nan 8.270 nan 0.000 0.486 330 A N 0.933 123.739 122.820 -0.023 0.000 2.401 330 A HA 0.453 4.782 4.320 0.015 0.000 0.259 330 A C -0.458 177.107 177.584 -0.031 0.000 1.103 330 A CA 0.247 52.271 52.037 -0.021 0.000 0.789 330 A CB 0.409 19.410 19.000 0.001 0.000 1.035 330 A HN 0.570 nan 8.150 nan 0.000 0.491 331 T N 1.809 116.336 114.554 -0.045 0.000 2.909 331 T HA 0.500 4.859 4.350 0.015 0.000 0.299 331 T C -1.081 173.582 174.700 -0.061 0.000 1.073 331 T CA -0.329 61.741 62.100 -0.050 0.000 0.999 331 T CB 1.364 70.196 68.868 -0.060 0.000 1.098 331 T HN 0.667 nan 8.240 nan 0.000 0.477 332 L N 2.700 123.888 121.223 -0.057 0.000 2.337 332 L HA 0.702 5.052 4.340 0.015 0.000 0.269 332 L C 0.375 177.205 176.870 -0.067 0.000 1.018 332 L CA -0.074 54.725 54.840 -0.069 0.000 0.876 332 L CB 0.349 42.370 42.059 -0.065 0.000 1.236 332 L HN 0.795 nan 8.230 nan 0.000 0.436 333 G N 5.603 114.358 108.800 -0.075 0.000 2.364 333 G HA2 0.462 4.431 3.960 0.015 0.000 0.267 333 G HA3 0.462 4.431 3.960 0.015 0.000 0.267 333 G C -0.758 174.100 174.900 -0.071 0.000 1.233 333 G CA -0.374 44.685 45.100 -0.068 0.000 0.885 333 G HN 0.577 nan 8.290 nan 0.000 0.490 334 L N 2.797 123.984 121.223 -0.060 0.000 2.345 334 L HA 0.230 4.579 4.340 0.015 0.000 0.274 334 L C -0.707 176.133 176.870 -0.050 0.000 0.999 334 L CA -0.856 53.946 54.840 -0.063 0.000 0.849 334 L CB 1.904 43.926 42.059 -0.060 0.000 1.220 334 L HN 0.540 nan 8.230 nan 0.000 0.422 335 D N 6.454 126.821 120.400 -0.055 0.000 2.441 335 D HA 0.201 4.850 4.640 0.015 0.000 0.221 335 D C -2.120 174.155 176.300 -0.042 0.000 1.156 335 D CA -1.791 52.182 54.000 -0.044 0.000 0.896 335 D CB 1.007 41.780 40.800 -0.045 0.000 1.028 335 D HN 0.112 nan 8.370 nan 0.000 0.509 336 P HA 0.219 nan 4.420 nan 0.000 0.267 336 P C 0.129 177.418 177.300 -0.017 0.000 1.195 336 P CA 0.012 63.110 63.100 -0.004 0.000 0.773 336 P CB 1.107 32.804 31.700 -0.005 0.000 0.837 337 G N 0.481 109.284 108.800 0.006 0.000 2.559 337 G HA2 0.497 4.466 3.960 0.015 0.000 0.291 337 G HA3 0.497 4.466 3.960 0.015 0.000 0.291 337 G C -0.670 174.256 174.900 0.044 0.000 1.424 337 G CA -0.683 44.412 45.100 -0.009 0.000 0.786 337 G HN 0.427 nan 8.290 nan 0.000 0.485 338 L N -0.947 120.296 121.223 0.034 0.000 3.635 338 L HA 0.427 4.776 4.340 0.015 0.000 0.185 338 L C 2.654 179.586 176.870 0.105 0.000 1.293 338 L CA -0.541 54.349 54.840 0.084 0.000 1.200 338 L CB -0.213 41.875 42.059 0.048 0.000 1.655 338 L HN 0.556 nan 8.230 nan 0.000 0.762 339 R N 0.345 120.900 120.500 0.091 0.000 2.103 339 R HA -0.155 4.194 4.340 0.015 0.000 0.242 339 R C 1.466 177.866 176.300 0.167 0.000 1.142 339 R CA 2.109 58.281 56.100 0.120 0.000 0.960 339 R CB -0.219 30.127 30.300 0.077 0.000 0.858 339 R HN 0.581 nan 8.270 nan 0.000 0.439 340 T N -1.911 112.697 114.554 0.089 0.000 3.278 340 T HA 0.331 4.690 4.350 0.015 0.000 0.251 340 T C 0.693 175.310 174.700 -0.139 0.000 1.039 340 T CA 0.090 62.232 62.100 0.070 0.000 0.935 340 T CB 0.275 69.158 68.868 0.025 0.000 1.034 340 T HN 0.503 nan 8.240 nan 0.000 0.575 341 G N 0.856 109.495 108.800 -0.269 0.000 2.915 341 G HA2 -0.117 3.853 3.960 0.015 0.000 0.337 341 G HA3 -0.117 3.853 3.960 0.015 0.000 0.337 341 G C -0.424 174.266 174.900 -0.349 0.000 1.477 341 G CA -0.371 44.316 45.100 -0.690 0.000 0.916 341 G HN 1.072 nan 8.290 nan 0.000 0.550 342 V N 0.793 120.520 119.914 -0.313 0.000 2.435 342 V HA 0.724 4.853 4.120 0.015 0.000 0.290 342 V C 0.382 176.358 176.094 -0.195 0.000 1.030 342 V CA -0.790 61.407 62.300 -0.171 0.000 0.881 342 V CB 1.379 33.145 31.823 -0.094 0.000 0.983 342 V HN 0.869 nan 8.190 nan 0.000 0.445 343 K N 4.210 124.525 120.400 -0.142 0.000 2.126 343 K HA 0.664 4.993 4.320 0.015 0.000 0.257 343 K C -0.741 175.791 176.600 -0.113 0.000 1.007 343 K CA -0.113 56.098 56.287 -0.126 0.000 0.928 343 K CB 1.554 33.995 32.500 -0.098 0.000 1.013 343 K HN 0.567 nan 8.250 nan 0.000 0.473 344 V N -0.033 119.815 119.914 -0.110 0.000 2.962 344 V HA 0.881 5.010 4.120 0.015 0.000 0.313 344 V C -1.114 174.913 176.094 -0.111 0.000 1.099 344 V CA -1.149 61.088 62.300 -0.106 0.000 0.971 344 V CB 1.935 33.696 31.823 -0.104 0.000 1.028 344 V HN 0.764 nan 8.190 nan 0.000 0.430 345 A N 2.517 125.267 122.820 -0.116 0.000 2.500 345 A HA 0.732 5.062 4.320 0.015 0.000 0.291 345 A C -1.405 176.095 177.584 -0.139 0.000 1.048 345 A CA -0.409 51.545 52.037 -0.138 0.000 0.791 345 A CB 1.587 20.500 19.000 -0.144 0.000 1.309 345 A HN 0.738 nan 8.150 nan 0.000 0.397 346 V N 3.591 123.402 119.914 -0.173 0.000 2.350 346 V HA 0.565 4.694 4.120 0.015 0.000 0.276 346 V C 0.516 176.498 176.094 -0.188 0.000 1.028 346 V CA -0.339 61.847 62.300 -0.190 0.000 0.860 346 V CB 1.059 32.706 31.823 -0.293 0.000 0.990 346 V HN 1.123 nan 8.190 nan 0.000 0.453 347 V N 1.686 121.523 119.914 -0.128 0.000 3.093 347 V HA 0.813 4.942 4.120 0.015 0.000 0.320 347 V C -0.239 175.809 176.094 -0.076 0.000 1.093 347 V CA -0.769 61.475 62.300 -0.093 0.000 1.016 347 V CB 1.981 33.768 31.823 -0.059 0.000 1.096 347 V HN 0.818 nan 8.190 nan 0.000 0.452 348 D N 1.267 121.639 120.400 -0.047 0.000 2.487 348 D HA 0.524 5.173 4.640 0.015 0.000 0.262 348 D C 0.875 177.162 176.300 -0.021 0.000 1.130 348 D CA -0.301 53.683 54.000 -0.027 0.000 1.038 348 D CB 1.553 42.348 40.800 -0.009 0.000 1.142 348 D HN 0.829 nan 8.370 nan 0.000 0.575 349 A N -0.784 122.028 122.820 -0.013 0.000 2.248 349 A HA 0.033 4.362 4.320 0.015 0.000 0.210 349 A C 1.505 179.079 177.584 -0.016 0.000 1.174 349 A CA 1.734 53.760 52.037 -0.018 0.000 0.750 349 A CB -1.064 17.930 19.000 -0.011 0.000 0.780 349 A HN 0.696 nan 8.150 nan 0.000 0.478 350 T N -6.919 107.630 114.554 -0.009 0.000 3.003 350 T HA 0.457 4.816 4.350 0.015 0.000 0.261 350 T C 1.306 176.006 174.700 -0.001 0.000 1.003 350 T CA 1.005 63.103 62.100 -0.004 0.000 0.917 350 T CB 0.536 69.406 68.868 0.004 0.000 1.084 350 T HN 1.516 nan 8.240 nan 0.000 0.522 351 G N 1.874 110.672 108.800 -0.002 0.000 2.259 351 G HA2 -0.231 3.738 3.960 0.015 0.000 0.217 351 G HA3 -0.231 3.738 3.960 0.015 0.000 0.217 351 G C 0.018 174.940 174.900 0.037 0.000 1.001 351 G CA -0.014 45.092 45.100 0.010 0.000 0.627 351 G HN 0.810 nan 8.290 nan 0.000 0.501 352 K N 1.433 121.852 120.400 0.032 0.000 2.430 352 K HA 0.340 4.670 4.320 0.015 0.000 0.280 352 K C 0.684 177.301 176.600 0.028 0.000 1.063 352 K CA -0.587 55.730 56.287 0.050 0.000 1.071 352 K CB 0.207 32.727 32.500 0.034 0.000 0.899 352 K HN 0.418 nan 8.250 nan 0.000 0.473 353 L N 5.738 126.998 121.223 0.061 0.000 2.499 353 L HA -0.009 4.340 4.340 0.015 0.000 0.273 353 L C 0.175 177.006 176.870 -0.064 0.000 1.195 353 L CA 0.715 55.536 54.840 -0.031 0.000 0.882 353 L CB 0.445 42.462 42.059 -0.071 0.000 1.133 353 L HN 0.833 nan 8.230 nan 0.000 0.483 354 L N 2.612 123.745 121.223 -0.150 0.000 2.577 354 L HA 0.454 4.804 4.340 0.015 0.000 0.225 354 L C -0.178 176.555 176.870 -0.229 0.000 1.053 354 L CA -0.029 54.695 54.840 -0.194 0.000 0.866 354 L CB 0.167 42.024 42.059 -0.336 0.000 1.132 354 L HN 0.605 nan 8.230 nan 0.000 0.486 355 D N -0.952 119.293 120.400 -0.259 0.000 2.653 355 D HA 0.426 5.075 4.640 0.015 0.000 0.258 355 D C -0.980 175.221 176.300 -0.164 0.000 1.252 355 D CA 0.031 53.922 54.000 -0.182 0.000 0.777 355 D CB 2.465 43.161 40.800 -0.173 0.000 1.339 355 D HN -0.034 nan 8.370 nan 0.000 0.422 356 T N -1.741 112.742 114.554 -0.119 0.000 2.864 356 T HA 0.973 5.332 4.350 0.015 0.000 0.299 356 T C -1.161 173.491 174.700 -0.081 0.000 1.166 356 T CA -0.572 61.458 62.100 -0.118 0.000 1.007 356 T CB 2.067 70.856 68.868 -0.133 0.000 1.219 356 T HN 0.677 nan 8.240 nan 0.000 0.506 357 A N 0.676 123.448 122.820 -0.080 0.000 2.583 357 A HA 0.797 5.126 4.320 0.015 0.000 0.292 357 A C -0.518 177.022 177.584 -0.074 0.000 1.045 357 A CA -0.370 51.631 52.037 -0.060 0.000 0.672 357 A CB 1.191 20.158 19.000 -0.055 0.000 1.283 357 A HN 1.672 nan 8.150 nan 0.000 0.419 358 T N 0.123 114.642 114.554 -0.058 0.000 2.949 358 T HA 0.643 5.002 4.350 0.015 0.000 0.300 358 T C -0.681 173.955 174.700 -0.106 0.000 0.988 358 T CA 0.130 62.161 62.100 -0.115 0.000 0.993 358 T CB 0.343 69.155 68.868 -0.093 0.000 0.984 358 T HN 2.124 nan 8.240 nan 0.000 0.442 359 V N 3.078 122.863 119.914 -0.214 0.000 2.815 359 V HA 0.767 4.897 4.120 0.015 0.000 0.314 359 V C -1.484 174.425 176.094 -0.308 0.000 1.064 359 V CA -1.135 61.091 62.300 -0.123 0.000 0.952 359 V CB 1.601 33.355 31.823 -0.113 0.000 1.020 359 V HN 0.835 nan 8.190 nan 0.000 0.439 360 Y N 3.391 123.654 120.300 -0.061 0.000 2.747 360 Y HA 0.489 5.048 4.550 0.016 0.000 0.362 360 Y C -1.933 173.931 175.900 -0.061 0.000 1.026 360 Y CA -2.400 55.677 58.100 -0.039 0.000 1.135 360 Y CB 0.974 39.431 38.460 -0.004 0.000 1.175 360 Y HN 0.531 nan 8.280 nan 0.000 0.643 361 P HA -0.069 nan 4.420 nan 0.000 0.219 361 P C 0.138 177.428 177.300 -0.015 0.000 1.154 361 P CA 1.304 64.302 63.100 -0.170 0.000 0.826 361 P CB 0.720 32.091 31.700 -0.550 0.000 0.795 362 H N 0.183 119.355 119.070 0.171 0.000 2.277 362 H HA 0.488 5.053 4.556 0.015 0.000 0.301 362 H C 0.724 176.148 175.328 0.160 0.000 1.655 362 H CA -0.716 55.455 56.048 0.206 0.000 1.483 362 H CB -0.222 29.628 29.762 0.147 0.000 1.741 362 H HN 0.047 nan 8.280 nan 0.000 0.712 363 A N 1.136 124.126 122.820 0.283 0.000 2.332 363 A HA 0.151 4.480 4.320 0.015 0.000 0.258 363 A C -1.425 176.258 177.584 0.165 0.000 1.087 363 A CA -1.135 51.005 52.037 0.172 0.000 0.802 363 A CB -0.126 18.945 19.000 0.118 0.000 1.042 363 A HN 0.639 nan 8.150 nan 0.000 0.489 364 P HA -0.083 nan 4.420 nan 0.000 0.217 364 P C 0.947 178.304 177.300 0.094 0.000 1.154 364 P CA 1.074 64.232 63.100 0.096 0.000 0.841 364 P CB 0.089 31.832 31.700 0.071 0.000 0.790 365 K N -0.428 120.036 120.400 0.106 0.000 2.059 365 K HA -0.127 4.202 4.320 0.015 0.000 0.212 365 K C 0.327 176.981 176.600 0.090 0.000 1.050 365 K CA 0.918 57.251 56.287 0.077 0.000 0.927 365 K CB -0.647 31.900 32.500 0.078 0.000 0.714 365 K HN 0.092 nan 8.250 nan 0.000 0.447 366 N N 1.391 120.172 118.700 0.135 0.000 2.573 366 N HA -0.155 4.595 4.740 0.015 0.000 0.275 366 N C -1.050 174.543 175.510 0.138 0.000 1.208 366 N CA 0.702 53.841 53.050 0.149 0.000 0.688 366 N CB -0.883 37.674 38.487 0.117 0.000 0.882 366 N HN 0.431 nan 8.380 nan 0.000 0.548 367 Q N -0.336 119.550 119.800 0.142 0.000 2.462 367 Q HA 0.081 4.430 4.340 0.015 0.000 0.395 367 Q C 1.018 177.091 176.000 0.123 0.000 0.911 367 Q CA -0.583 55.289 55.803 0.116 0.000 1.112 367 Q CB 0.626 29.413 28.738 0.081 0.000 1.350 367 Q HN 0.545 nan 8.270 nan 0.000 0.407 368 W N 2.183 123.472 121.300 -0.019 0.000 2.301 368 W HA -0.250 4.419 4.660 0.015 0.000 0.325 368 W C 0.593 177.103 176.519 -0.015 0.000 1.250 368 W CA 2.212 59.536 57.345 -0.034 0.000 1.261 368 W CB 0.137 29.588 29.460 -0.014 0.000 1.157 368 W HN 0.427 nan 8.180 nan 0.000 0.473 369 D N -0.496 120.074 120.400 0.283 0.000 2.144 369 D HA -0.234 4.415 4.640 0.015 0.000 0.200 369 D C 2.022 178.362 176.300 0.067 0.000 0.978 369 D CA 1.433 55.539 54.000 0.177 0.000 0.833 369 D CB -0.646 40.257 40.800 0.171 0.000 0.961 369 D HN 0.411 nan 8.370 nan 0.000 0.470 370 Q N 0.498 120.329 119.800 0.052 0.000 2.079 370 Q HA -0.118 4.231 4.340 0.015 0.000 0.200 370 Q C 1.909 177.896 176.000 -0.022 0.000 0.974 370 Q CA 1.386 57.202 55.803 0.022 0.000 0.840 370 Q CB 0.084 28.840 28.738 0.030 0.000 0.898 370 Q HN 0.114 nan 8.270 nan 0.000 0.430 371 T N 1.596 116.110 114.554 -0.065 0.000 2.684 371 T HA -0.179 4.180 4.350 0.015 0.000 0.267 371 T C 1.820 176.423 174.700 -0.161 0.000 1.036 371 T CA 1.315 63.333 62.100 -0.137 0.000 1.148 371 T CB -0.309 68.409 68.868 -0.250 0.000 0.863 371 T HN 0.246 nan 8.240 nan 0.000 0.436 372 L N 0.522 121.639 121.223 -0.176 0.000 2.042 372 L HA -0.182 4.167 4.340 0.015 0.000 0.210 372 L C 2.957 179.781 176.870 -0.077 0.000 1.076 372 L CA 1.357 56.115 54.840 -0.136 0.000 0.749 372 L CB -0.590 41.435 42.059 -0.057 0.000 0.893 372 L HN 0.279 nan 8.230 nan 0.000 0.432 373 A N -0.744 122.063 122.820 -0.022 0.000 1.873 373 A HA -0.146 4.183 4.320 0.015 0.000 0.215 373 A C 2.293 179.850 177.584 -0.045 0.000 1.186 373 A CA 1.720 53.760 52.037 0.005 0.000 0.616 373 A CB -0.783 18.236 19.000 0.032 0.000 0.823 373 A HN 0.193 nan 8.150 nan 0.000 0.442 374 V N 0.246 120.128 119.914 -0.055 0.000 2.261 374 V HA -0.271 3.858 4.120 0.015 0.000 0.246 374 V C 2.600 178.641 176.094 -0.089 0.000 1.047 374 V CA 2.014 64.279 62.300 -0.058 0.000 1.015 374 V CB -0.831 30.962 31.823 -0.050 0.000 0.642 374 V HN 0.570 nan 8.190 nan 0.000 0.446 375 L N -0.057 121.090 121.223 -0.125 0.000 1.989 375 L HA -0.232 4.117 4.340 0.015 0.000 0.211 375 L C 2.802 179.558 176.870 -0.191 0.000 1.071 375 L CA 1.788 56.540 54.840 -0.148 0.000 0.749 375 L CB -1.000 40.955 42.059 -0.174 0.000 0.890 375 L HN 0.386 nan 8.230 nan 0.000 0.431 376 A N 0.251 122.893 122.820 -0.297 0.000 1.870 376 A HA -0.347 3.982 4.320 0.015 0.000 0.219 376 A C 2.549 179.979 177.584 -0.257 0.000 1.224 376 A CA 2.632 54.374 52.037 -0.491 0.000 0.650 376 A CB -1.160 17.389 19.000 -0.752 0.000 0.836 376 A HN 0.464 nan 8.150 nan 0.000 0.454 377 A N -0.706 122.026 122.820 -0.148 0.000 1.896 377 A HA -0.210 4.119 4.320 0.015 0.000 0.220 377 A C 2.265 179.811 177.584 -0.062 0.000 1.206 377 A CA 1.957 53.948 52.037 -0.076 0.000 0.647 377 A CB -0.812 18.162 19.000 -0.044 0.000 0.828 377 A HN 0.543 nan 8.150 nan 0.000 0.455 378 L N -1.149 120.051 121.223 -0.038 0.000 2.083 378 L HA -0.235 4.114 4.340 0.015 0.000 0.209 378 L C 2.684 179.602 176.870 0.080 0.000 1.083 378 L CA 1.310 56.183 54.840 0.054 0.000 0.752 378 L CB -0.448 41.631 42.059 0.033 0.000 0.899 378 L HN 0.546 nan 8.230 nan 0.000 0.433 379 C N -0.834 118.449 119.300 -0.028 0.000 2.432 379 C HA -0.076 4.394 4.460 0.015 0.000 0.280 379 C C 2.944 177.919 174.990 -0.024 0.000 1.353 379 C CA 0.700 59.699 59.018 -0.031 0.000 1.766 379 C CB -0.934 26.745 27.740 -0.100 0.000 1.924 379 C HN 0.611 nan 8.230 nan 0.000 0.509 380 A N 0.231 123.017 122.820 -0.056 0.000 1.861 380 A HA -0.090 4.240 4.320 0.015 0.000 0.212 380 A C 2.163 179.692 177.584 -0.091 0.000 1.199 380 A CA 1.309 53.315 52.037 -0.052 0.000 0.613 380 A CB -0.589 18.384 19.000 -0.045 0.000 0.846 380 A HN 0.561 nan 8.150 nan 0.000 0.446 381 K N -0.933 119.369 120.400 -0.164 0.000 2.228 381 K HA -0.243 4.087 4.320 0.015 0.000 0.205 381 K C 0.598 176.846 176.600 -0.586 0.000 1.045 381 K CA 2.008 58.066 56.287 -0.382 0.000 0.931 381 K CB -0.188 32.013 32.500 -0.499 0.000 0.727 381 K HN 0.753 nan 8.250 nan 0.000 0.458 382 H N -0.862 118.192 119.070 -0.027 0.000 2.785 382 H HA 0.231 4.795 4.556 0.015 0.000 0.268 382 H C -0.738 174.578 175.328 -0.020 0.000 1.153 382 H CA -0.286 55.748 56.048 -0.023 0.000 1.111 382 H CB 0.808 30.553 29.762 -0.028 0.000 1.633 382 H HN 0.128 nan 8.280 nan 0.000 0.576 383 Q N 0.279 120.103 119.800 0.041 0.000 2.452 383 Q HA -0.154 4.195 4.340 0.015 0.000 0.318 383 Q C -0.478 175.544 176.000 0.037 0.000 1.386 383 Q CA 0.244 56.064 55.803 0.029 0.000 0.872 383 Q CB -1.589 27.162 28.738 0.023 0.000 1.151 383 Q HN 0.277 nan 8.270 nan 0.000 0.417 384 V N 0.846 120.784 119.914 0.039 0.000 2.763 384 V HA -0.097 4.032 4.120 0.015 0.000 0.306 384 V C 1.511 177.611 176.094 0.010 0.000 1.059 384 V CA 1.097 63.409 62.300 0.020 0.000 1.138 384 V CB 1.199 33.026 31.823 0.007 0.000 0.940 384 V HN 0.434 nan 8.190 nan 0.000 0.489 385 E N 3.345 123.549 120.200 0.005 0.000 2.367 385 E HA 0.289 4.648 4.350 0.015 0.000 0.204 385 E C -0.333 176.276 176.600 0.015 0.000 0.840 385 E CA -0.007 56.400 56.400 0.013 0.000 1.051 385 E CB 0.693 30.400 29.700 0.013 0.000 1.051 385 E HN 0.482 nan 8.360 nan 0.000 0.509 386 L N 1.392 122.617 121.223 0.002 0.000 2.319 386 L HA 0.535 4.884 4.340 0.015 0.000 0.267 386 L C -0.310 176.556 176.870 -0.007 0.000 1.011 386 L CA -0.785 54.060 54.840 0.008 0.000 0.818 386 L CB 2.162 44.218 42.059 -0.004 0.000 1.316 386 L HN -0.050 nan 8.230 nan 0.000 0.432 387 I N 1.969 122.540 120.570 0.003 0.000 2.563 387 I HA 0.329 4.509 4.170 0.015 0.000 0.276 387 I C 0.026 176.140 176.117 -0.006 0.000 1.074 387 I CA -0.367 60.925 61.300 -0.013 0.000 1.124 387 I CB 1.589 39.580 38.000 -0.015 0.000 1.225 387 I HN 0.620 nan 8.210 nan 0.000 0.482 388 A N 7.613 130.423 122.820 -0.018 0.000 2.440 388 A HA 0.708 5.037 4.320 0.015 0.000 0.251 388 A C -0.255 177.318 177.584 -0.019 0.000 1.089 388 A CA 0.175 52.204 52.037 -0.014 0.000 0.779 388 A CB 0.269 19.252 19.000 -0.030 0.000 1.022 388 A HN 0.678 nan 8.150 nan 0.000 0.492 389 I N 1.980 122.545 120.570 -0.009 0.000 2.498 389 I HA 0.420 4.599 4.170 0.015 0.000 0.290 389 I C 0.888 176.998 176.117 -0.012 0.000 1.032 389 I CA -0.745 60.547 61.300 -0.012 0.000 1.073 389 I CB 2.092 40.091 38.000 -0.002 0.000 1.251 389 I HN 0.739 nan 8.210 nan 0.000 0.426 390 G N 2.675 111.464 108.800 -0.018 0.000 2.441 390 G HA2 0.045 4.014 3.960 0.015 0.000 0.243 390 G HA3 0.045 4.014 3.960 0.015 0.000 0.243 390 G C 0.479 175.369 174.900 -0.015 0.000 1.281 390 G CA -0.549 44.539 45.100 -0.020 0.000 0.854 390 G HN 0.961 nan 8.290 nan 0.000 0.560 391 N N 1.631 120.322 118.700 -0.015 0.000 2.362 391 N HA 0.129 4.878 4.740 0.015 0.000 0.204 391 N C 1.049 176.547 175.510 -0.020 0.000 1.166 391 N CA -0.186 52.855 53.050 -0.014 0.000 0.831 391 N CB 0.481 38.962 38.487 -0.010 0.000 1.008 391 N HN 0.476 nan 8.380 nan 0.000 0.472 392 G N 0.442 109.227 108.800 -0.025 0.000 2.582 392 G HA2 0.133 4.103 3.960 0.015 0.000 0.232 392 G HA3 0.133 4.103 3.960 0.015 0.000 0.232 392 G C -0.234 174.646 174.900 -0.034 0.000 1.458 392 G CA -0.409 44.673 45.100 -0.030 0.000 1.062 392 G HN 0.148 nan 8.290 nan 0.000 0.566 393 T N 0.769 115.300 114.554 -0.038 0.000 2.933 393 T HA 0.321 4.681 4.350 0.015 0.000 0.306 393 T C 1.333 175.996 174.700 -0.063 0.000 1.045 393 T CA 1.425 63.498 62.100 -0.045 0.000 1.143 393 T CB 0.607 69.451 68.868 -0.039 0.000 1.003 393 T HN 1.776 nan 8.240 nan 0.000 0.540 394 A N 2.466 125.234 122.820 -0.087 0.000 2.799 394 A HA -0.248 4.081 4.320 0.015 0.000 0.274 394 A C 1.933 179.429 177.584 -0.147 0.000 1.393 394 A CA 1.481 53.421 52.037 -0.162 0.000 0.909 394 A CB -2.476 16.376 19.000 -0.248 0.000 1.012 394 A HN 1.267 nan 8.150 nan 0.000 0.653 395 S N -0.248 115.411 115.700 -0.068 0.000 2.399 395 S HA -0.232 4.247 4.470 0.015 0.000 0.231 395 S C 1.804 176.397 174.600 -0.012 0.000 1.022 395 S CA 1.209 59.392 58.200 -0.029 0.000 0.983 395 S CB -0.449 62.741 63.200 -0.017 0.000 0.803 395 S HN 0.922 nan 8.310 nan 0.000 0.480 396 R N 1.904 122.390 120.500 -0.024 0.000 2.115 396 R HA -0.224 4.125 4.340 0.015 0.000 0.239 396 R C 1.764 178.094 176.300 0.049 0.000 1.133 396 R CA 2.282 58.384 56.100 0.004 0.000 0.935 396 R CB -0.437 29.856 30.300 -0.011 0.000 0.853 396 R HN 0.500 nan 8.270 nan 0.000 0.433 397 E N -0.552 119.664 120.200 0.026 0.000 2.285 397 E HA -0.028 4.332 4.350 0.015 0.000 0.194 397 E C 1.746 178.588 176.600 0.404 0.000 0.997 397 E CA 1.421 57.949 56.400 0.213 0.000 0.845 397 E CB 0.011 29.796 29.700 0.142 0.000 0.782 397 E HN 0.372 nan 8.360 nan 0.000 0.491 398 T N 0.474 115.166 114.554 0.229 0.000 2.985 398 T HA -0.093 4.266 4.350 0.015 0.000 0.266 398 T C 1.289 176.041 174.700 0.088 0.000 1.076 398 T CA 1.300 63.519 62.100 0.197 0.000 1.135 398 T CB -0.163 68.787 68.868 0.137 0.000 0.890 398 T HN 0.131 nan 8.240 nan 0.000 0.480 399 D N 0.867 121.323 120.400 0.093 0.000 2.277 399 D HA 0.014 4.663 4.640 0.015 0.000 0.208 399 D C 2.075 178.440 176.300 0.108 0.000 0.962 399 D CA 0.674 54.717 54.000 0.072 0.000 0.865 399 D CB 0.047 40.881 40.800 0.058 0.000 0.939 399 D HN 0.292 nan 8.370 nan 0.000 0.510 400 K N -0.071 120.439 120.400 0.183 0.000 2.116 400 K HA -0.051 4.278 4.320 0.015 0.000 0.203 400 K C 1.947 178.739 176.600 0.320 0.000 1.052 400 K CA 0.424 56.870 56.287 0.265 0.000 0.952 400 K CB -0.046 32.667 32.500 0.355 0.000 0.729 400 K HN 0.123 nan 8.250 nan 0.000 0.446 401 L N 1.179 122.515 121.223 0.190 0.000 2.072 401 L HA -0.002 4.348 4.340 0.015 0.000 0.205 401 L C 2.168 178.975 176.870 -0.106 0.000 1.079 401 L CA 2.042 56.758 54.840 -0.206 0.000 0.752 401 L CB -1.192 40.427 42.059 -0.733 0.000 0.906 401 L HN 0.270 nan 8.230 nan 0.000 0.436 402 A N -0.442 122.349 122.820 -0.049 0.000 2.125 402 A HA -0.056 4.273 4.320 0.015 0.000 0.219 402 A C 2.227 179.822 177.584 0.020 0.000 1.156 402 A CA 1.351 53.369 52.037 -0.031 0.000 0.671 402 A CB -0.935 18.058 19.000 -0.012 0.000 0.794 402 A HN 0.539 nan 8.150 nan 0.000 0.459 403 G N -0.719 108.120 108.800 0.065 0.000 2.439 403 G HA2 -0.102 3.868 3.960 0.015 0.000 0.212 403 G HA3 -0.102 3.868 3.960 0.015 0.000 0.212 403 G C 1.320 176.284 174.900 0.107 0.000 1.199 403 G CA 0.829 45.982 45.100 0.088 0.000 0.807 403 G HN 0.500 nan 8.290 nan 0.000 0.537 404 E N -0.251 120.041 120.200 0.154 0.000 2.108 404 E HA -0.222 4.137 4.350 0.015 0.000 0.203 404 E C 2.257 178.946 176.600 0.149 0.000 1.022 404 E CA 1.359 57.870 56.400 0.185 0.000 0.823 404 E CB -0.298 29.581 29.700 0.297 0.000 0.744 404 E HN 0.331 nan 8.360 nan 0.000 0.456 405 L N 0.935 122.215 121.223 0.094 0.000 1.924 405 L HA -0.198 4.151 4.340 0.015 0.000 0.222 405 L C 2.284 179.245 176.870 0.151 0.000 1.081 405 L CA 2.212 57.106 54.840 0.091 0.000 0.780 405 L CB -0.843 41.196 42.059 -0.033 0.000 0.891 405 L HN 0.442 nan 8.230 nan 0.000 0.434 406 I N 0.126 120.749 120.570 0.088 0.000 2.597 406 I HA -0.259 3.920 4.170 0.015 0.000 0.262 406 I C 1.340 177.527 176.117 0.116 0.000 1.194 406 I CA 2.096 63.453 61.300 0.095 0.000 1.437 406 I CB -1.535 36.502 38.000 0.061 0.000 1.096 406 I HN 0.707 nan 8.210 nan 0.000 0.451 407 K N 0.725 121.197 120.400 0.119 0.000 2.981 407 K HA 0.306 4.635 4.320 0.015 0.000 0.213 407 K C 0.496 177.148 176.600 0.087 0.000 1.154 407 K CA -0.455 55.887 56.287 0.091 0.000 1.111 407 K CB 0.559 33.103 32.500 0.073 0.000 0.975 407 K HN 0.017 nan 8.250 nan 0.000 0.462 408 K N -0.371 120.105 120.400 0.127 0.000 2.601 408 K HA 0.198 4.527 4.320 0.015 0.000 0.214 408 K C -1.061 175.377 176.600 -0.270 0.000 1.628 408 K CA 0.151 56.426 56.287 -0.020 0.000 1.036 408 K CB 0.692 33.250 32.500 0.096 0.000 1.352 408 K HN 0.254 nan 8.250 nan 0.000 0.607 409 Y N -0.450 119.858 120.300 0.014 0.000 2.501 409 Y HA 0.316 4.875 4.550 0.014 0.000 0.331 409 Y C -2.227 173.680 175.900 0.012 0.000 0.950 409 Y CA -2.409 55.697 58.100 0.011 0.000 1.120 409 Y CB 0.951 39.415 38.460 0.006 0.000 1.154 409 Y HN -0.048 nan 8.280 nan 0.000 0.630 410 P HA -0.179 nan 4.420 nan 0.000 0.218 410 P C 1.829 179.170 177.300 0.069 0.000 1.146 410 P CA 1.974 65.117 63.100 0.071 0.000 0.820 410 P CB 0.288 32.011 31.700 0.037 0.000 0.778 411 G N -1.279 107.564 108.800 0.072 0.000 2.498 411 G HA2 -0.209 3.760 3.960 0.015 0.000 0.219 411 G HA3 -0.209 3.760 3.960 0.015 0.000 0.219 411 G C 1.335 176.276 174.900 0.067 0.000 1.119 411 G CA 0.448 45.585 45.100 0.061 0.000 0.766 411 G HN 0.243 nan 8.290 nan 0.000 0.552 412 M N -0.654 119.000 119.600 0.090 0.000 2.388 412 M HA 0.131 4.620 4.480 0.015 0.000 0.265 412 M C 0.822 177.153 176.300 0.051 0.000 1.088 412 M CA 0.698 56.038 55.300 0.067 0.000 1.134 412 M CB 0.032 32.673 32.600 0.068 0.000 1.384 412 M HN 0.073 nan 8.290 nan 0.000 0.447 413 K N 1.470 121.904 120.400 0.056 0.000 3.125 413 K HA -0.135 4.194 4.320 0.015 0.000 0.268 413 K C -0.726 175.901 176.600 0.045 0.000 1.078 413 K CA 0.072 56.388 56.287 0.048 0.000 0.775 413 K CB -2.175 30.350 32.500 0.042 0.000 1.253 413 K HN 0.347 nan 8.250 nan 0.000 0.486 414 L N 0.310 121.560 121.223 0.045 0.000 2.456 414 L HA 0.392 4.741 4.340 0.015 0.000 0.257 414 L C 1.040 177.938 176.870 0.045 0.000 1.162 414 L CA -0.152 54.709 54.840 0.036 0.000 0.808 414 L CB 1.028 43.099 42.059 0.021 0.000 1.136 414 L HN 0.294 nan 8.230 nan 0.000 0.466 415 T N -1.589 112.993 114.554 0.047 0.000 3.109 415 T HA 0.350 4.709 4.350 0.015 0.000 0.311 415 T C -0.820 173.914 174.700 0.056 0.000 1.011 415 T CA -1.133 61.002 62.100 0.059 0.000 1.026 415 T CB 1.295 70.211 68.868 0.081 0.000 1.047 415 T HN 0.638 nan 8.240 nan 0.000 0.448 416 K N 4.173 124.602 120.400 0.049 0.000 2.205 416 K HA 0.736 5.065 4.320 0.015 0.000 0.279 416 K C -0.698 175.935 176.600 0.055 0.000 1.027 416 K CA -0.804 55.508 56.287 0.041 0.000 0.932 416 K CB 0.947 33.466 32.500 0.032 0.000 1.032 416 K HN 0.651 nan 8.250 nan 0.000 0.466 417 I N 2.260 122.864 120.570 0.056 0.000 2.892 417 I HA 0.341 4.520 4.170 0.015 0.000 0.306 417 I C -0.838 175.305 176.117 0.045 0.000 1.078 417 I CA -1.537 59.804 61.300 0.069 0.000 1.032 417 I CB 2.294 40.368 38.000 0.122 0.000 1.229 417 I HN 0.635 nan 8.210 nan 0.000 0.435 418 M N 4.927 124.552 119.600 0.042 0.000 2.404 418 M HA 0.644 5.133 4.480 0.015 0.000 0.338 418 M C -0.991 175.322 176.300 0.023 0.000 1.150 418 M CA -0.479 54.837 55.300 0.026 0.000 1.016 418 M CB 1.639 34.252 32.600 0.022 0.000 1.672 418 M HN 0.392 nan 8.290 nan 0.000 0.448 419 V N 0.560 120.478 119.914 0.007 0.000 3.049 419 V HA 0.713 4.842 4.120 0.015 0.000 0.309 419 V C -0.525 175.563 176.094 -0.011 0.000 1.148 419 V CA -0.948 61.352 62.300 -0.001 0.000 0.990 419 V CB 1.515 33.331 31.823 -0.011 0.000 1.039 419 V HN 0.812 nan 8.190 nan 0.000 0.430 420 S N 0.539 116.230 115.700 -0.014 0.000 2.564 420 S HA 0.263 4.742 4.470 0.015 0.000 0.278 420 S C 0.708 175.292 174.600 -0.028 0.000 1.333 420 S CA 0.016 58.204 58.200 -0.020 0.000 1.048 420 S CB 0.684 63.871 63.200 -0.020 0.000 0.900 420 S HN 0.923 nan 8.310 nan 0.000 0.505 421 E N 2.323 122.506 120.200 -0.028 0.000 2.479 421 E HA 0.189 4.548 4.350 0.015 0.000 0.193 421 E C 0.444 177.028 176.600 -0.027 0.000 1.049 421 E CA -0.240 56.143 56.400 -0.028 0.000 0.870 421 E CB 0.249 29.934 29.700 -0.025 0.000 0.944 421 E HN 0.747 nan 8.360 nan 0.000 0.492 422 A N 0.770 123.572 122.820 -0.031 0.000 2.563 422 A HA 0.207 4.536 4.320 0.015 0.000 0.256 422 A C 1.435 179.005 177.584 -0.024 0.000 1.056 422 A CA 1.024 53.041 52.037 -0.033 0.000 0.775 422 A CB -0.671 18.306 19.000 -0.037 0.000 0.973 422 A HN 0.415 nan 8.150 nan 0.000 0.516 423 G N 1.568 110.364 108.800 -0.008 0.000 2.253 423 G HA2 -0.093 3.876 3.960 0.015 0.000 0.251 423 G HA3 -0.093 3.876 3.960 0.015 0.000 0.251 423 G C 1.430 176.369 174.900 0.065 0.000 0.998 423 G CA 1.210 46.325 45.100 0.025 0.000 0.621 423 G HN 2.066 nan 8.290 nan 0.000 0.524 424 A N 0.418 123.257 122.820 0.033 0.000 1.915 424 A HA 0.002 4.331 4.320 0.015 0.000 0.220 424 A C 2.644 180.299 177.584 0.119 0.000 1.198 424 A CA 3.114 55.188 52.037 0.062 0.000 0.647 424 A CB -0.825 18.185 19.000 0.017 0.000 0.825 424 A HN 1.109 nan 8.150 nan 0.000 0.456 425 S N -0.964 114.776 115.700 0.066 0.000 2.329 425 S HA -0.075 4.404 4.470 0.015 0.000 0.215 425 S C 1.918 176.553 174.600 0.057 0.000 1.031 425 S CA 1.085 59.315 58.200 0.050 0.000 0.985 425 S CB -0.652 62.557 63.200 0.014 0.000 0.917 425 S HN 0.320 nan 8.310 nan 0.000 0.441 426 V N 1.272 121.217 119.914 0.052 0.000 2.317 426 V HA -0.275 3.854 4.120 0.015 0.000 0.251 426 V C 1.987 178.118 176.094 0.062 0.000 1.065 426 V CA 2.285 64.612 62.300 0.045 0.000 1.049 426 V CB -0.758 31.093 31.823 0.045 0.000 0.651 426 V HN 0.592 nan 8.190 nan 0.000 0.450 427 Y N 1.668 121.969 120.300 0.001 0.000 2.145 427 Y HA -0.300 4.259 4.550 0.016 0.000 0.286 427 Y C 2.868 178.780 175.900 0.020 0.000 1.145 427 Y CA 2.201 60.307 58.100 0.010 0.000 1.148 427 Y CB -0.453 38.014 38.460 0.012 0.000 0.981 427 Y HN 0.380 nan 8.280 nan 0.000 0.507 428 S N 0.430 116.128 115.700 -0.004 0.000 2.387 428 S HA -0.256 4.223 4.470 0.015 0.000 0.230 428 S C 2.059 176.586 174.600 -0.122 0.000 1.035 428 S CA 1.261 59.420 58.200 -0.068 0.000 1.014 428 S CB -1.067 62.155 63.200 0.037 0.000 0.836 428 S HN 0.544 nan 8.310 nan 0.000 0.466 429 A N 1.065 123.836 122.820 -0.081 0.000 2.208 429 A HA 0.352 4.681 4.320 0.015 0.000 0.209 429 A C 1.433 178.959 177.584 -0.096 0.000 1.161 429 A CA 0.627 52.623 52.037 -0.068 0.000 0.782 429 A CB -0.700 18.280 19.000 -0.033 0.000 0.816 429 A HN 0.637 nan 8.150 nan 0.000 0.477 430 S N -0.698 114.905 115.700 -0.161 0.000 2.587 430 S HA 0.087 4.566 4.470 0.015 0.000 0.260 430 S C 1.117 175.623 174.600 -0.156 0.000 1.353 430 S CA 0.591 58.695 58.200 -0.160 0.000 0.995 430 S CB 0.896 63.961 63.200 -0.225 0.000 0.912 430 S HN 0.430 nan 8.310 nan 0.000 0.568 431 E N 0.713 120.846 120.200 -0.112 0.000 2.140 431 E HA 0.018 4.378 4.350 0.015 0.000 0.191 431 E C 1.732 178.268 176.600 -0.107 0.000 0.973 431 E CA 0.799 57.145 56.400 -0.089 0.000 0.829 431 E CB -0.484 29.183 29.700 -0.055 0.000 0.781 431 E HN 0.567 nan 8.360 nan 0.000 0.466 432 L N 0.752 121.908 121.223 -0.112 0.000 2.012 432 L HA -0.029 4.321 4.340 0.015 0.000 0.210 432 L C 2.178 178.953 176.870 -0.159 0.000 1.073 432 L CA 2.530 57.311 54.840 -0.097 0.000 0.748 432 L CB -1.243 40.796 42.059 -0.034 0.000 0.891 432 L HN 0.155 nan 8.230 nan 0.000 0.431 433 A N -0.388 122.244 122.820 -0.313 0.000 1.902 433 A HA -0.058 4.271 4.320 0.015 0.000 0.217 433 A C 2.423 179.908 177.584 -0.165 0.000 1.181 433 A CA 1.831 53.649 52.037 -0.365 0.000 0.623 433 A CB -1.238 17.212 19.000 -0.917 0.000 0.818 433 A HN 0.619 nan 8.150 nan 0.000 0.443 434 A N -0.691 122.041 122.820 -0.147 0.000 2.067 434 A HA -0.102 4.227 4.320 0.015 0.000 0.219 434 A C 2.060 179.606 177.584 -0.064 0.000 1.158 434 A CA 1.766 53.763 52.037 -0.067 0.000 0.661 434 A CB -0.351 18.611 19.000 -0.064 0.000 0.801 434 A HN 0.540 nan 8.150 nan 0.000 0.452 435 K N -0.455 119.885 120.400 -0.100 0.000 2.305 435 K HA -0.038 4.291 4.320 0.015 0.000 0.199 435 K C 1.829 178.341 176.600 -0.146 0.000 1.047 435 K CA 1.146 57.375 56.287 -0.096 0.000 0.976 435 K CB 0.002 32.451 32.500 -0.085 0.000 0.765 435 K HN 0.631 nan 8.250 nan 0.000 0.474 436 E N -0.746 119.300 120.200 -0.257 0.000 2.216 436 E HA -0.012 4.347 4.350 0.015 0.000 0.192 436 E C -0.363 175.869 176.600 -0.613 0.000 0.973 436 E CA 0.285 56.383 56.400 -0.504 0.000 0.851 436 E CB 0.347 29.597 29.700 -0.751 0.000 0.804 436 E HN 0.191 nan 8.360 nan 0.000 0.477 437 F N 0.216 120.158 119.950 -0.013 0.000 2.542 437 F HA 0.333 4.869 4.527 0.015 0.000 0.323 437 F C -2.127 173.661 175.800 -0.021 0.000 1.411 437 F CA -1.964 56.029 58.000 -0.012 0.000 1.124 437 F CB 1.541 40.539 39.000 -0.004 0.000 1.331 437 F HN -0.019 nan 8.300 nan 0.000 0.560 438 P HA -0.219 nan 4.420 nan 0.000 0.219 438 P C 1.597 178.937 177.300 0.067 0.000 1.146 438 P CA 1.342 64.477 63.100 0.059 0.000 0.808 438 P CB 0.196 31.912 31.700 0.026 0.000 0.779 439 E N 0.482 120.737 120.200 0.092 0.000 2.046 439 E HA -0.095 4.264 4.350 0.015 0.000 0.190 439 E C 0.795 177.421 176.600 0.044 0.000 0.982 439 E CA 0.612 57.050 56.400 0.063 0.000 0.800 439 E CB -1.207 28.531 29.700 0.065 0.000 0.756 439 E HN 0.227 nan 8.360 nan 0.000 0.449 440 L N 2.544 123.798 121.223 0.051 0.000 2.485 440 L HA 0.105 4.455 4.340 0.015 0.000 0.275 440 L C 0.646 177.520 176.870 0.006 0.000 1.207 440 L CA -0.340 54.494 54.840 -0.009 0.000 0.855 440 L CB -0.048 41.954 42.059 -0.095 0.000 1.114 440 L HN 0.045 nan 8.230 nan 0.000 0.485 441 D N 0.814 121.208 120.400 -0.011 0.000 2.361 441 D HA 0.096 4.745 4.640 0.015 0.000 0.239 441 D C 1.019 177.316 176.300 -0.006 0.000 1.200 441 D CA -0.439 53.558 54.000 -0.004 0.000 0.915 441 D CB 1.300 42.096 40.800 -0.006 0.000 1.170 441 D HN 0.273 nan 8.370 nan 0.000 0.444 442 V N 1.350 121.262 119.914 -0.003 0.000 2.287 442 V HA -0.257 3.872 4.120 0.015 0.000 0.248 442 V C 2.363 178.454 176.094 -0.004 0.000 1.053 442 V CA 2.071 64.369 62.300 -0.004 0.000 1.027 442 V CB -1.516 30.302 31.823 -0.007 0.000 0.646 442 V HN 0.725 nan 8.190 nan 0.000 0.447 443 S N 0.479 116.173 115.700 -0.010 0.000 2.419 443 S HA -0.113 4.366 4.470 0.015 0.000 0.235 443 S C 1.858 176.441 174.600 -0.028 0.000 1.019 443 S CA 1.715 59.905 58.200 -0.016 0.000 0.982 443 S CB -0.655 62.533 63.200 -0.020 0.000 0.789 443 S HN 0.567 nan 8.310 nan 0.000 0.490 444 L N -0.012 121.189 121.223 -0.037 0.000 2.416 444 L HA 0.266 4.615 4.340 0.015 0.000 0.216 444 L C 2.932 179.761 176.870 -0.068 0.000 1.098 444 L CA 0.228 55.029 54.840 -0.064 0.000 0.840 444 L CB -0.199 41.810 42.059 -0.084 0.000 0.981 444 L HN 0.209 nan 8.230 nan 0.000 0.462 445 R N 0.064 120.549 120.500 -0.025 0.000 2.189 445 R HA -0.074 4.275 4.340 0.015 0.000 0.223 445 R C 2.212 178.583 176.300 0.119 0.000 1.092 445 R CA 1.045 57.168 56.100 0.038 0.000 0.989 445 R CB -0.303 30.052 30.300 0.092 0.000 0.876 445 R HN 0.391 nan 8.270 nan 0.000 0.457 446 G N 0.403 109.247 108.800 0.074 0.000 2.394 446 G HA2 -0.219 3.750 3.960 0.015 0.000 0.215 446 G HA3 -0.219 3.750 3.960 0.015 0.000 0.215 446 G C 1.453 176.368 174.900 0.025 0.000 1.165 446 G CA 0.633 45.784 45.100 0.085 0.000 0.784 446 G HN 0.371 nan 8.290 nan 0.000 0.535 447 A N 0.189 122.997 122.820 -0.021 0.000 2.067 447 A HA 0.164 4.493 4.320 0.015 0.000 0.219 447 A C 2.476 180.021 177.584 -0.064 0.000 1.158 447 A CA 1.534 53.539 52.037 -0.053 0.000 0.661 447 A CB -0.281 18.673 19.000 -0.077 0.000 0.801 447 A HN 0.256 nan 8.150 nan 0.000 0.452 448 V N -0.786 119.093 119.914 -0.059 0.000 2.548 448 V HA -0.151 3.978 4.120 0.015 0.000 0.249 448 V C 2.683 178.758 176.094 -0.031 0.000 1.055 448 V CA 2.067 64.327 62.300 -0.067 0.000 1.065 448 V CB -0.670 31.093 31.823 -0.099 0.000 0.681 448 V HN 0.624 nan 8.190 nan 0.000 0.462 449 S N -0.018 115.663 115.700 -0.031 0.000 2.357 449 S HA -0.104 4.375 4.470 0.015 0.000 0.221 449 S C 2.022 176.558 174.600 -0.107 0.000 1.031 449 S CA 1.040 59.155 58.200 -0.142 0.000 0.982 449 S CB -0.234 62.821 63.200 -0.242 0.000 0.853 449 S HN 0.395 nan 8.310 nan 0.000 0.458 450 I N 2.125 122.653 120.570 -0.071 0.000 2.315 450 I HA -0.190 3.989 4.170 0.015 0.000 0.251 450 I C 2.584 178.662 176.117 -0.065 0.000 1.125 450 I CA 1.542 62.805 61.300 -0.062 0.000 1.392 450 I CB -1.771 36.199 38.000 -0.050 0.000 1.065 450 I HN 0.381 nan 8.210 nan 0.000 0.424 451 A N 0.585 123.364 122.820 -0.068 0.000 1.861 451 A HA -0.087 4.242 4.320 0.015 0.000 0.212 451 A C 2.442 179.983 177.584 -0.071 0.000 1.199 451 A CA 0.571 52.568 52.037 -0.068 0.000 0.613 451 A CB -0.493 18.464 19.000 -0.072 0.000 0.846 451 A HN 0.229 nan 8.150 nan 0.000 0.446 452 R N 0.057 120.516 120.500 -0.068 0.000 2.127 452 R HA -0.189 4.160 4.340 0.015 0.000 0.238 452 R C 2.421 178.670 176.300 -0.084 0.000 1.134 452 R CA 1.719 57.779 56.100 -0.067 0.000 0.975 452 R CB -0.346 29.922 30.300 -0.053 0.000 0.865 452 R HN 0.746 nan 8.270 nan 0.000 0.447 453 R N 0.590 121.033 120.500 -0.095 0.000 2.073 453 R HA -0.061 4.289 4.340 0.015 0.000 0.229 453 R C 2.221 178.468 176.300 -0.088 0.000 1.120 453 R CA 1.047 57.091 56.100 -0.093 0.000 0.967 453 R CB -0.815 29.428 30.300 -0.094 0.000 0.862 453 R HN 0.193 nan 8.270 nan 0.000 0.436 454 L N 1.322 122.495 121.223 -0.084 0.000 2.013 454 L HA -0.274 4.075 4.340 0.015 0.000 0.212 454 L C 2.587 179.364 176.870 -0.154 0.000 1.073 454 L CA 1.906 56.689 54.840 -0.095 0.000 0.753 454 L CB -0.295 41.717 42.059 -0.078 0.000 0.890 454 L HN 0.407 nan 8.230 nan 0.000 0.432 455 Q N -1.122 118.595 119.800 -0.138 0.000 2.030 455 Q HA -0.203 4.146 4.340 0.015 0.000 0.204 455 Q C 0.253 176.163 176.000 -0.150 0.000 0.986 455 Q CA 1.528 57.238 55.803 -0.154 0.000 0.843 455 Q CB -0.052 28.622 28.738 -0.106 0.000 0.904 455 Q HN 0.368 nan 8.270 nan 0.000 0.420 456 D N -1.838 118.496 120.400 -0.111 0.000 2.445 456 D HA 0.173 4.822 4.640 0.015 0.000 0.236 456 D C -2.343 173.911 176.300 -0.078 0.000 1.315 456 D CA -1.863 52.082 54.000 -0.091 0.000 0.924 456 D CB 1.200 41.956 40.800 -0.073 0.000 1.447 456 D HN -0.253 nan 8.370 nan 0.000 0.532 457 P HA -0.192 nan 4.420 nan 0.000 0.217 457 P C 1.854 179.115 177.300 -0.064 0.000 1.158 457 P CA 0.732 63.792 63.100 -0.067 0.000 0.887 457 P CB 0.431 32.099 31.700 -0.053 0.000 0.792 458 L N -0.958 120.231 121.223 -0.057 0.000 1.955 458 L HA -0.245 4.104 4.340 0.015 0.000 0.213 458 L C 2.257 179.099 176.870 -0.047 0.000 1.072 458 L CA 2.294 57.104 54.840 -0.051 0.000 0.755 458 L CB -1.139 40.895 42.059 -0.042 0.000 0.888 458 L HN -0.023 nan 8.230 nan 0.000 0.432 459 A N -0.465 122.328 122.820 -0.045 0.000 1.917 459 A HA -0.312 4.017 4.320 0.015 0.000 0.219 459 A C 2.063 179.614 177.584 -0.055 0.000 1.182 459 A CA 2.204 54.217 52.037 -0.040 0.000 0.633 459 A CB -0.629 18.349 19.000 -0.037 0.000 0.819 459 A HN 0.570 nan 8.150 nan 0.000 0.448 460 E N -0.051 120.101 120.200 -0.080 0.000 2.107 460 E HA -0.017 4.342 4.350 0.015 0.000 0.191 460 E C 1.831 178.347 176.600 -0.140 0.000 0.982 460 E CA 0.854 57.178 56.400 -0.127 0.000 0.809 460 E CB -0.325 29.285 29.700 -0.150 0.000 0.756 460 E HN 0.591 nan 8.360 nan 0.000 0.459 461 L N 0.256 121.420 121.223 -0.098 0.000 2.217 461 L HA -0.067 4.282 4.340 0.015 0.000 0.211 461 L C 2.260 179.105 176.870 -0.042 0.000 1.107 461 L CA 0.982 55.776 54.840 -0.076 0.000 0.783 461 L CB -0.509 41.515 42.059 -0.058 0.000 0.919 461 L HN 0.182 nan 8.230 nan 0.000 0.442 462 V N -3.269 116.626 119.914 -0.033 0.000 3.241 462 V HA -0.152 3.978 4.120 0.015 0.000 0.269 462 V C 1.669 177.769 176.094 0.011 0.000 1.151 462 V CA 1.207 63.501 62.300 -0.010 0.000 1.158 462 V CB -0.857 30.960 31.823 -0.010 0.000 0.764 462 V HN 0.349 nan 8.190 nan 0.000 0.508 463 K N 0.361 120.768 120.400 0.011 0.000 2.469 463 K HA 0.480 4.809 4.320 0.015 0.000 0.201 463 K C -0.080 176.613 176.600 0.157 0.000 1.028 463 K CA 0.017 56.352 56.287 0.082 0.000 1.170 463 K CB 0.167 32.726 32.500 0.099 0.000 0.874 463 K HN 0.528 nan 8.250 nan 0.000 0.507 464 I N 1.445 122.071 120.570 0.092 0.000 2.647 464 I HA 0.062 4.241 4.170 0.015 0.000 0.295 464 I C -0.157 175.999 176.117 0.064 0.000 1.078 464 I CA -1.162 60.207 61.300 0.115 0.000 1.048 464 I CB 2.171 40.224 38.000 0.088 0.000 1.239 464 I HN 0.115 nan 8.210 nan 0.000 0.421 465 E N 6.355 126.591 120.200 0.060 0.000 2.463 465 E HA 0.022 4.381 4.350 0.015 0.000 0.248 465 E C -1.990 174.630 176.600 0.033 0.000 1.106 465 E CA -1.279 55.145 56.400 0.040 0.000 0.946 465 E CB 0.005 29.726 29.700 0.036 0.000 0.971 465 E HN 0.325 nan 8.360 nan 0.000 0.478 466 P HA -0.360 nan 4.420 nan 0.000 0.221 466 P C 1.248 178.562 177.300 0.023 0.000 1.160 466 P CA 2.049 65.163 63.100 0.024 0.000 0.933 466 P CB -0.045 31.671 31.700 0.027 0.000 0.793 467 K N -0.411 120.006 120.400 0.029 0.000 2.589 467 K HA -0.034 4.295 4.320 0.015 0.000 0.195 467 K C 1.390 178.000 176.600 0.016 0.000 1.040 467 K CA 1.444 57.749 56.287 0.029 0.000 0.950 467 K CB -0.514 32.009 32.500 0.039 0.000 0.781 467 K HN 0.039 nan 8.250 nan 0.000 0.486 468 S N 0.595 116.304 115.700 0.015 0.000 2.511 468 S HA 0.256 4.735 4.470 0.015 0.000 0.214 468 S C 0.505 175.100 174.600 -0.008 0.000 0.997 468 S CA -0.467 57.740 58.200 0.011 0.000 0.908 468 S CB 0.154 63.370 63.200 0.028 0.000 0.803 468 S HN 0.234 nan 8.310 nan 0.000 0.504 469 I N 3.433 123.995 120.570 -0.013 0.000 2.349 469 I HA 0.116 4.295 4.170 0.015 0.000 0.302 469 I C 1.007 177.086 176.117 -0.064 0.000 1.180 469 I CA -0.439 60.846 61.300 -0.026 0.000 1.405 469 I CB -0.406 37.583 38.000 -0.019 0.000 1.474 469 I HN 0.101 nan 8.210 nan 0.000 0.632 470 G N 5.242 113.996 108.800 -0.077 0.000 2.305 470 G HA2 0.219 4.189 3.960 0.015 0.000 0.281 470 G HA3 0.219 4.189 3.960 0.015 0.000 0.281 470 G C 1.006 175.820 174.900 -0.145 0.000 1.085 470 G CA -0.148 44.873 45.100 -0.132 0.000 1.211 470 G HN 0.645 nan 8.290 nan 0.000 0.421 471 V N 1.155 120.943 119.914 -0.210 0.000 3.379 471 V HA 0.472 4.601 4.120 0.015 0.000 0.249 471 V C 1.300 177.283 176.094 -0.185 0.000 1.184 471 V CA 0.844 63.058 62.300 -0.143 0.000 1.106 471 V CB -0.456 31.328 31.823 -0.065 0.000 0.826 471 V HN 0.620 nan 8.190 nan 0.000 0.465 472 G N -0.625 107.866 108.800 -0.516 0.000 2.531 472 G HA2 0.475 4.444 3.960 0.015 0.000 0.313 472 G HA3 0.475 4.444 3.960 0.015 0.000 0.313 472 G C -0.037 174.730 174.900 -0.222 0.000 1.238 472 G CA -0.156 44.671 45.100 -0.455 0.000 0.994 472 G HN 0.265 nan 8.290 nan 0.000 0.493 473 Q N -1.037 118.813 119.800 0.082 0.000 1.911 473 Q HA -0.013 4.336 4.340 0.015 0.000 0.202 473 Q C 0.945 176.868 176.000 -0.128 0.000 0.976 473 Q CA 1.231 57.007 55.803 -0.045 0.000 0.845 473 Q CB -0.064 28.712 28.738 0.062 0.000 0.903 473 Q HN 0.607 nan 8.270 nan 0.000 0.437 474 Y N 1.456 121.885 120.300 0.215 0.000 2.627 474 Y HA 0.073 4.632 4.550 0.015 0.000 0.339 474 Y C 1.751 177.803 175.900 0.253 0.000 1.137 474 Y CA -0.092 58.133 58.100 0.207 0.000 1.361 474 Y CB -0.403 38.178 38.460 0.202 0.000 1.180 474 Y HN 0.301 nan 8.280 nan 0.000 0.512 475 Q N -0.205 119.725 119.800 0.217 0.000 2.248 475 Q HA -0.308 4.041 4.340 0.015 0.000 0.208 475 Q C 1.724 177.828 176.000 0.174 0.000 0.984 475 Q CA 1.919 57.773 55.803 0.085 0.000 0.875 475 Q CB -0.043 28.385 28.738 -0.517 0.000 0.910 475 Q HN 0.740 nan 8.270 nan 0.000 0.433 476 H N 0.120 119.233 119.070 0.071 0.000 2.403 476 H HA -0.047 4.518 4.556 0.015 0.000 0.298 476 H C 1.245 176.636 175.328 0.106 0.000 1.059 476 H CA 1.666 57.753 56.048 0.065 0.000 1.363 476 H CB 0.179 29.964 29.762 0.039 0.000 1.410 476 H HN 0.305 nan 8.280 nan 0.000 0.528 477 D N 0.208 120.719 120.400 0.185 0.000 2.263 477 D HA -0.070 4.580 4.640 0.015 0.000 0.208 477 D C 0.404 176.738 176.300 0.058 0.000 0.971 477 D CA 0.392 54.467 54.000 0.124 0.000 0.867 477 D CB 0.039 40.985 40.800 0.243 0.000 0.929 477 D HN 0.159 nan 8.370 nan 0.000 0.492 478 V N 0.941 120.917 119.914 0.103 0.000 3.003 478 V HA 0.005 4.134 4.120 0.015 0.000 0.305 478 V C 0.832 176.937 176.094 0.017 0.000 1.078 478 V CA -0.631 61.717 62.300 0.080 0.000 1.083 478 V CB 1.623 33.558 31.823 0.187 0.000 1.039 478 V HN 0.053 nan 8.190 nan 0.000 0.481 479 S N 2.170 117.869 115.700 -0.000 0.000 2.629 479 S HA -0.056 4.423 4.470 0.015 0.000 0.302 479 S C 0.914 175.517 174.600 0.005 0.000 1.244 479 S CA -0.056 58.135 58.200 -0.014 0.000 1.098 479 S CB 0.506 63.696 63.200 -0.017 0.000 0.858 479 S HN 0.738 nan 8.310 nan 0.000 0.502 480 Q N 4.015 123.809 119.800 -0.011 0.000 2.046 480 Q HA 0.034 4.383 4.340 0.015 0.000 0.200 480 Q C 1.945 177.955 176.000 0.017 0.000 0.975 480 Q CA 1.654 57.459 55.803 0.004 0.000 0.836 480 Q CB -0.336 28.394 28.738 -0.013 0.000 0.896 480 Q HN 0.869 nan 8.270 nan 0.000 0.428 481 L N 0.245 121.474 121.223 0.011 0.000 2.012 481 L HA -0.287 4.062 4.340 0.015 0.000 0.210 481 L C 1.855 178.739 176.870 0.024 0.000 1.073 481 L CA 1.702 56.552 54.840 0.017 0.000 0.748 481 L CB -0.238 41.830 42.059 0.015 0.000 0.891 481 L HN 0.268 nan 8.230 nan 0.000 0.431 482 K N -0.328 120.085 120.400 0.021 0.000 1.978 482 K HA -0.273 4.056 4.320 0.015 0.000 0.214 482 K C 1.956 178.580 176.600 0.040 0.000 1.049 482 K CA 1.803 58.104 56.287 0.024 0.000 0.939 482 K CB -0.559 31.948 32.500 0.011 0.000 0.721 482 K HN 0.168 nan 8.250 nan 0.000 0.441 483 L N 1.209 122.466 121.223 0.057 0.000 2.043 483 L HA -0.250 4.099 4.340 0.015 0.000 0.212 483 L C 2.162 179.078 176.870 0.077 0.000 1.075 483 L CA 2.073 56.970 54.840 0.094 0.000 0.752 483 L CB -0.662 41.475 42.059 0.129 0.000 0.891 483 L HN 0.216 nan 8.230 nan 0.000 0.432 484 A N 0.823 123.676 122.820 0.054 0.000 1.824 484 A HA -0.259 4.070 4.320 0.015 0.000 0.215 484 A C 2.236 179.844 177.584 0.040 0.000 1.209 484 A CA 2.155 54.219 52.037 0.044 0.000 0.614 484 A CB -0.887 18.132 19.000 0.033 0.000 0.852 484 A HN 0.642 nan 8.150 nan 0.000 0.447 485 R N 0.062 120.582 120.500 0.034 0.000 2.276 485 R HA -0.145 4.204 4.340 0.015 0.000 0.243 485 R C 2.101 178.422 176.300 0.034 0.000 1.161 485 R CA 1.863 57.981 56.100 0.030 0.000 1.007 485 R CB -0.713 29.603 30.300 0.027 0.000 0.867 485 R HN 0.493 nan 8.270 nan 0.000 0.472 486 S N 0.457 116.182 115.700 0.042 0.000 2.371 486 S HA 0.015 4.494 4.470 0.015 0.000 0.219 486 S C 1.793 176.427 174.600 0.057 0.000 1.040 486 S CA 0.097 58.325 58.200 0.047 0.000 0.958 486 S CB -0.022 63.210 63.200 0.053 0.000 0.860 486 S HN 0.240 nan 8.310 nan 0.000 0.487 487 L N 2.204 123.468 121.223 0.068 0.000 2.191 487 L HA 0.043 4.393 4.340 0.015 0.000 0.212 487 L C 1.827 178.727 176.870 0.050 0.000 1.103 487 L CA 1.665 56.547 54.840 0.069 0.000 0.769 487 L CB -0.972 41.130 42.059 0.071 0.000 0.908 487 L HN 0.307 nan 8.230 nan 0.000 0.438 488 D N -0.976 119.448 120.400 0.040 0.000 2.144 488 D HA -0.109 4.540 4.640 0.015 0.000 0.200 488 D C 2.264 178.580 176.300 0.026 0.000 0.978 488 D CA 1.191 55.208 54.000 0.028 0.000 0.833 488 D CB -0.031 40.782 40.800 0.022 0.000 0.961 488 D HN 0.310 nan 8.370 nan 0.000 0.470 489 A N 0.457 123.297 122.820 0.033 0.000 1.883 489 A HA -0.167 4.162 4.320 0.015 0.000 0.217 489 A C 2.434 180.044 177.584 0.044 0.000 1.186 489 A CA 2.093 54.149 52.037 0.032 0.000 0.624 489 A CB -1.164 17.857 19.000 0.034 0.000 0.822 489 A HN 0.239 nan 8.150 nan 0.000 0.444 490 V N -0.957 118.995 119.914 0.064 0.000 2.287 490 V HA -0.211 3.918 4.120 0.015 0.000 0.248 490 V C 2.156 178.289 176.094 0.066 0.000 1.053 490 V CA 2.567 64.925 62.300 0.097 0.000 1.027 490 V CB -1.283 30.617 31.823 0.129 0.000 0.646 490 V HN 0.260 nan 8.190 nan 0.000 0.447 491 V N 0.395 120.332 119.914 0.038 0.000 2.231 491 V HA -0.308 3.821 4.120 0.015 0.000 0.248 491 V C 2.856 178.951 176.094 0.003 0.000 1.054 491 V CA 2.736 65.043 62.300 0.012 0.000 1.015 491 V CB -1.048 30.780 31.823 0.009 0.000 0.638 491 V HN 0.693 nan 8.190 nan 0.000 0.444 492 E N -0.242 119.958 120.200 -0.000 0.000 2.070 492 E HA -0.298 4.062 4.350 0.015 0.000 0.197 492 E C 2.057 178.645 176.600 -0.020 0.000 1.004 492 E CA 1.854 58.240 56.400 -0.024 0.000 0.805 492 E CB -0.235 29.448 29.700 -0.028 0.000 0.744 492 E HN 0.600 nan 8.360 nan 0.000 0.451 493 D N -0.224 120.186 120.400 0.015 0.000 2.123 493 D HA -0.150 4.499 4.640 0.015 0.000 0.196 493 D C 2.073 178.406 176.300 0.055 0.000 0.992 493 D CA 0.910 54.937 54.000 0.045 0.000 0.833 493 D CB -0.410 40.440 40.800 0.084 0.000 0.954 493 D HN 0.258 nan 8.370 nan 0.000 0.455 494 C N 0.207 119.527 119.300 0.034 0.000 2.462 494 C HA -0.087 4.383 4.460 0.015 0.000 0.278 494 C C 2.948 177.941 174.990 0.005 0.000 1.253 494 C CA 0.943 59.957 59.018 -0.007 0.000 1.713 494 C CB -1.025 26.668 27.740 -0.079 0.000 2.049 494 C HN 0.335 nan 8.230 nan 0.000 0.477 495 V N 1.515 121.429 119.914 0.000 0.000 2.490 495 V HA -0.164 3.965 4.120 0.015 0.000 0.250 495 V C 1.619 177.745 176.094 0.053 0.000 1.061 495 V CA 2.645 64.952 62.300 0.012 0.000 1.064 495 V CB -1.017 30.804 31.823 -0.002 0.000 0.670 495 V HN 0.516 nan 8.190 nan 0.000 0.461 496 N N 1.442 120.171 118.700 0.047 0.000 2.409 496 N HA 0.194 4.943 4.740 0.015 0.000 0.179 496 N C 1.639 177.330 175.510 0.301 0.000 1.032 496 N CA 1.234 54.369 53.050 0.142 0.000 0.898 496 N CB -0.383 38.011 38.487 -0.155 0.000 0.971 496 N HN 0.652 nan 8.380 nan 0.000 0.441 497 A N -0.327 122.592 122.820 0.164 0.000 2.238 497 A HA 0.166 4.495 4.320 0.015 0.000 0.208 497 A C 1.433 179.073 177.584 0.094 0.000 1.177 497 A CA 0.483 52.603 52.037 0.138 0.000 0.804 497 A CB 0.193 19.254 19.000 0.101 0.000 0.823 497 A HN 0.123 nan 8.150 nan 0.000 0.482 498 V N -1.565 118.401 119.914 0.087 0.000 3.604 498 V HA 0.408 4.537 4.120 0.015 0.000 0.277 498 V C 1.144 177.275 176.094 0.062 0.000 1.399 498 V CA 0.552 62.885 62.300 0.053 0.000 1.034 498 V CB -0.556 31.282 31.823 0.024 0.000 0.824 498 V HN 1.025 nan 8.190 nan 0.000 0.439 499 G N 0.599 109.462 108.800 0.104 0.000 2.787 499 G HA2 -0.031 3.938 3.960 0.015 0.000 0.685 499 G HA3 -0.031 3.938 3.960 0.015 0.000 0.685 499 G C -0.897 174.044 174.900 0.068 0.000 1.437 499 G CA -0.242 44.917 45.100 0.099 0.000 0.872 499 G HN 0.509 nan 8.290 nan 0.000 0.566 500 V N 1.249 121.199 119.914 0.061 0.000 2.733 500 V HA 0.463 4.592 4.120 0.015 0.000 0.306 500 V C -0.534 175.578 176.094 0.031 0.000 1.084 500 V CA -0.421 61.903 62.300 0.040 0.000 0.905 500 V CB 1.956 33.802 31.823 0.038 0.000 1.010 500 V HN 0.976 nan 8.190 nan 0.000 0.424 501 D N 3.777 124.195 120.400 0.030 0.000 2.435 501 D HA 0.047 4.696 4.640 0.015 0.000 0.230 501 D C 1.136 177.466 176.300 0.049 0.000 1.215 501 D CA 0.254 54.275 54.000 0.036 0.000 0.947 501 D CB 1.474 42.295 40.800 0.035 0.000 1.048 501 D HN 0.351 nan 8.370 nan 0.000 0.512 502 V N 4.652 124.592 119.914 0.045 0.000 2.736 502 V HA -0.267 3.863 4.120 0.015 0.000 0.262 502 V C 1.343 177.526 176.094 0.149 0.000 1.114 502 V CA 1.712 64.051 62.300 0.065 0.000 1.133 502 V CB -0.369 31.446 31.823 -0.014 0.000 0.703 502 V HN 0.485 nan 8.190 nan 0.000 0.495 503 N N -0.059 118.724 118.700 0.139 0.000 2.461 503 N HA 0.014 4.764 4.740 0.015 0.000 0.188 503 N C 1.189 176.750 175.510 0.085 0.000 1.134 503 N CA 1.364 54.497 53.050 0.139 0.000 0.878 503 N CB 0.393 38.961 38.487 0.135 0.000 0.972 503 N HN 0.834 nan 8.380 nan 0.000 0.456 504 T N -4.148 110.446 114.554 0.066 0.000 3.147 504 T HA 0.315 4.674 4.350 0.015 0.000 0.275 504 T C 0.505 175.226 174.700 0.035 0.000 0.879 504 T CA -0.399 61.727 62.100 0.043 0.000 0.863 504 T CB 0.214 69.102 68.868 0.032 0.000 1.236 504 T HN 0.108 nan 8.240 nan 0.000 0.582 505 A N 2.849 125.693 122.820 0.039 0.000 2.520 505 A HA 0.589 4.918 4.320 0.015 0.000 0.245 505 A C 0.850 178.451 177.584 0.028 0.000 1.072 505 A CA -0.184 51.870 52.037 0.029 0.000 0.761 505 A CB -0.084 18.933 19.000 0.029 0.000 1.004 505 A HN 0.731 nan 8.150 nan 0.000 0.499 506 S N 2.242 117.952 115.700 0.017 0.000 2.576 506 S HA 0.396 4.875 4.470 0.015 0.000 0.276 506 S C 1.334 175.944 174.600 0.017 0.000 1.339 506 S CA -0.163 58.045 58.200 0.015 0.000 1.039 506 S CB 1.141 64.346 63.200 0.008 0.000 0.902 506 S HN 1.700 nan 8.310 nan 0.000 0.516 507 A N 2.941 125.771 122.820 0.017 0.000 2.042 507 A HA -0.042 4.288 4.320 0.015 0.000 0.222 507 A C 2.342 179.933 177.584 0.012 0.000 1.167 507 A CA 2.091 54.138 52.037 0.017 0.000 0.649 507 A CB -1.594 17.415 19.000 0.016 0.000 0.809 507 A HN 1.378 nan 8.150 nan 0.000 0.457 508 A N -0.551 122.277 122.820 0.013 0.000 1.858 508 A HA -0.021 4.308 4.320 0.015 0.000 0.216 508 A C 2.107 179.695 177.584 0.007 0.000 1.190 508 A CA 1.674 53.718 52.037 0.013 0.000 0.617 508 A CB -0.671 18.342 19.000 0.022 0.000 0.827 508 A HN 0.773 nan 8.150 nan 0.000 0.443 509 L N -0.405 120.821 121.223 0.006 0.000 2.079 509 L HA -0.130 4.219 4.340 0.015 0.000 0.210 509 L C 2.027 178.898 176.870 0.001 0.000 1.081 509 L CA 1.511 56.352 54.840 0.002 0.000 0.752 509 L CB -0.393 41.668 42.059 0.004 0.000 0.896 509 L HN 0.264 nan 8.230 nan 0.000 0.433 510 L N -0.444 120.781 121.223 0.004 0.000 2.141 510 L HA -0.076 4.273 4.340 0.015 0.000 0.209 510 L C 2.722 179.585 176.870 -0.011 0.000 1.094 510 L CA 1.700 56.540 54.840 -0.001 0.000 0.763 510 L CB -2.219 39.844 42.059 0.007 0.000 0.908 510 L HN 0.409 nan 8.230 nan 0.000 0.437 511 A N -0.388 122.427 122.820 -0.008 0.000 2.019 511 A HA -0.189 4.140 4.320 0.015 0.000 0.219 511 A C 2.267 179.836 177.584 -0.024 0.000 1.164 511 A CA 1.177 53.206 52.037 -0.013 0.000 0.644 511 A CB -0.348 18.649 19.000 -0.006 0.000 0.805 511 A HN 0.231 nan 8.150 nan 0.000 0.449 512 R N -0.472 120.013 120.500 -0.024 0.000 2.310 512 R HA 0.224 4.573 4.340 0.015 0.000 0.202 512 R C 0.149 176.411 176.300 -0.064 0.000 0.933 512 R CA -0.078 56.001 56.100 -0.036 0.000 1.054 512 R CB -0.239 30.047 30.300 -0.024 0.000 0.985 512 R HN 0.368 nan 8.270 nan 0.000 0.489 513 I N 1.408 121.940 120.570 -0.064 0.000 2.575 513 I HA 0.005 4.184 4.170 0.015 0.000 0.285 513 I C 0.713 176.738 176.117 -0.154 0.000 1.085 513 I CA -0.320 60.919 61.300 -0.102 0.000 1.403 513 I CB 0.777 38.747 38.000 -0.049 0.000 1.409 513 I HN 0.152 nan 8.210 nan 0.000 0.557 514 S N 3.711 119.238 115.700 -0.289 0.000 2.563 514 S HA 0.227 4.707 4.470 0.015 0.000 0.294 514 S C 1.131 175.639 174.600 -0.155 0.000 1.279 514 S CA 0.075 58.121 58.200 -0.256 0.000 1.069 514 S CB 0.591 63.550 63.200 -0.402 0.000 0.828 514 S HN 1.318 nan 8.310 nan 0.000 0.497 515 G N 2.185 110.915 108.800 -0.116 0.000 2.143 515 G HA2 -0.192 3.777 3.960 0.015 0.000 0.249 515 G HA3 -0.192 3.777 3.960 0.015 0.000 0.249 515 G C -0.176 174.683 174.900 -0.068 0.000 0.981 515 G CA 0.355 45.399 45.100 -0.095 0.000 0.665 515 G HN 0.842 nan 8.290 nan 0.000 0.528 516 L N 0.041 121.227 121.223 -0.062 0.000 2.354 516 L HA 0.634 4.984 4.340 0.015 0.000 0.264 516 L C 0.076 176.927 176.870 -0.032 0.000 1.008 516 L CA -1.160 53.654 54.840 -0.042 0.000 0.819 516 L CB 2.037 44.072 42.059 -0.040 0.000 1.339 516 L HN 0.339 nan 8.230 nan 0.000 0.420 517 N N -1.313 117.375 118.700 -0.021 0.000 3.002 517 N HA 0.305 5.054 4.740 0.015 0.000 0.331 517 N C 0.125 175.631 175.510 -0.007 0.000 1.384 517 N CA -0.878 52.163 53.050 -0.014 0.000 0.780 517 N CB 0.666 39.146 38.487 -0.011 0.000 1.492 517 N HN 0.316 nan 8.380 nan 0.000 0.608 518 S N -1.313 114.385 115.700 -0.004 0.000 2.500 518 S HA -0.068 4.411 4.470 0.015 0.000 0.239 518 S C 0.923 175.525 174.600 0.003 0.000 0.989 518 S CA 1.169 59.370 58.200 0.001 0.000 0.951 518 S CB -0.628 62.573 63.200 0.001 0.000 0.759 518 S HN 0.647 nan 8.310 nan 0.000 0.523 519 T N 2.175 116.730 114.554 0.002 0.000 2.896 519 T HA 0.144 4.503 4.350 0.015 0.000 0.238 519 T C 1.575 176.281 174.700 0.010 0.000 1.045 519 T CA 0.281 62.386 62.100 0.007 0.000 1.248 519 T CB -0.492 68.379 68.868 0.005 0.000 0.955 519 T HN 0.097 nan 8.240 nan 0.000 0.416 520 L N 1.657 122.883 121.223 0.004 0.000 2.270 520 L HA -0.100 4.249 4.340 0.015 0.000 0.217 520 L C 2.524 179.398 176.870 0.006 0.000 1.107 520 L CA 1.231 56.072 54.840 0.003 0.000 0.772 520 L CB -1.314 40.740 42.059 -0.008 0.000 0.902 520 L HN 0.318 nan 8.230 nan 0.000 0.439 521 A N -0.924 121.900 122.820 0.007 0.000 1.821 521 A HA -0.276 4.053 4.320 0.015 0.000 0.215 521 A C 2.136 179.737 177.584 0.028 0.000 1.216 521 A CA 1.599 53.644 52.037 0.013 0.000 0.615 521 A CB -0.720 18.285 19.000 0.009 0.000 0.862 521 A HN 0.446 nan 8.150 nan 0.000 0.450 522 Q N -0.388 119.427 119.800 0.026 0.000 2.182 522 Q HA -0.295 4.055 4.340 0.015 0.000 0.213 522 Q C 1.958 177.989 176.000 0.052 0.000 1.000 522 Q CA 2.057 57.880 55.803 0.033 0.000 0.889 522 Q CB -0.415 28.338 28.738 0.024 0.000 0.932 522 Q HN 0.704 nan 8.270 nan 0.000 0.415 523 N N -0.146 118.585 118.700 0.051 0.000 2.149 523 N HA -0.144 4.606 4.740 0.015 0.000 0.188 523 N C 1.474 177.041 175.510 0.096 0.000 1.019 523 N CA 1.040 54.134 53.050 0.074 0.000 0.857 523 N CB -0.128 38.387 38.487 0.047 0.000 0.997 523 N HN 0.191 nan 8.380 nan 0.000 0.426 524 I N 0.192 120.804 120.570 0.071 0.000 2.142 524 I HA -0.180 3.999 4.170 0.015 0.000 0.240 524 I C 2.066 178.294 176.117 0.185 0.000 1.078 524 I CA 0.830 62.202 61.300 0.119 0.000 1.343 524 I CB -1.191 36.866 38.000 0.095 0.000 1.046 524 I HN -0.055 nan 8.210 nan 0.000 0.405 525 V N 1.719 121.708 119.914 0.125 0.000 2.278 525 V HA -0.358 3.771 4.120 0.015 0.000 0.251 525 V C 2.880 179.037 176.094 0.105 0.000 1.062 525 V CA 2.052 64.413 62.300 0.101 0.000 1.038 525 V CB -1.492 30.368 31.823 0.062 0.000 0.646 525 V HN 0.492 nan 8.190 nan 0.000 0.447 526 A N -0.505 122.388 122.820 0.122 0.000 1.882 526 A HA -0.373 3.956 4.320 0.015 0.000 0.220 526 A C 2.014 179.676 177.584 0.131 0.000 1.253 526 A CA 2.892 55.004 52.037 0.125 0.000 0.664 526 A CB -1.056 18.050 19.000 0.177 0.000 0.838 526 A HN 0.691 nan 8.150 nan 0.000 0.460 527 H N -1.263 117.812 119.070 0.008 0.000 2.253 527 H HA -0.091 4.474 4.556 0.015 0.000 0.296 527 H C 2.202 177.431 175.328 -0.164 0.000 1.074 527 H CA 1.827 57.832 56.048 -0.071 0.000 1.263 527 H CB -0.414 29.320 29.762 -0.046 0.000 1.363 527 H HN 0.480 nan 8.280 nan 0.000 0.489 528 R N 0.106 120.590 120.500 -0.028 0.000 2.190 528 R HA -0.235 4.114 4.340 0.015 0.000 0.255 528 R C 1.541 177.801 176.300 -0.066 0.000 1.143 528 R CA 2.309 58.347 56.100 -0.104 0.000 0.965 528 R CB -0.239 30.074 30.300 0.022 0.000 0.889 528 R HN 0.398 nan 8.270 nan 0.000 0.448 529 D N -1.411 118.976 120.400 -0.021 0.000 2.234 529 D HA -0.014 4.636 4.640 0.015 0.000 0.205 529 D C 1.408 177.680 176.300 -0.047 0.000 0.962 529 D CA 1.234 55.220 54.000 -0.024 0.000 0.855 529 D CB 0.131 40.929 40.800 -0.004 0.000 0.951 529 D HN 0.377 nan 8.370 nan 0.000 0.500 530 A N 0.140 122.919 122.820 -0.069 0.000 1.924 530 A HA 0.076 4.405 4.320 0.015 0.000 0.211 530 A C 1.424 178.937 177.584 -0.119 0.000 1.198 530 A CA 0.410 52.389 52.037 -0.098 0.000 0.657 530 A CB -0.077 18.840 19.000 -0.137 0.000 0.852 530 A HN 0.149 nan 8.150 nan 0.000 0.454 531 N N -0.739 117.869 118.700 -0.153 0.000 2.238 531 N HA 0.342 5.091 4.740 0.015 0.000 0.222 531 N C 0.971 176.389 175.510 -0.154 0.000 1.133 531 N CA 0.262 53.218 53.050 -0.157 0.000 0.854 531 N CB 0.920 39.294 38.487 -0.187 0.000 1.041 531 N HN 0.549 nan 8.380 nan 0.000 0.510 532 G N 1.749 110.471 108.800 -0.131 0.000 4.163 532 G HA2 -0.277 3.692 3.960 0.015 0.000 0.300 532 G HA3 -0.277 3.692 3.960 0.015 0.000 0.300 532 G C -0.203 174.618 174.900 -0.133 0.000 1.488 532 G CA 0.034 45.069 45.100 -0.108 0.000 1.052 532 G HN 0.594 nan 8.290 nan 0.000 0.687 533 A N -1.002 121.725 122.820 -0.154 0.000 2.549 533 A HA 0.736 5.065 4.320 0.015 0.000 0.297 533 A C -0.902 176.598 177.584 -0.140 0.000 1.061 533 A CA -0.410 51.548 52.037 -0.131 0.000 0.690 533 A CB 1.023 20.009 19.000 -0.024 0.000 1.287 533 A HN 1.086 nan 8.150 nan 0.000 0.402 534 F N 1.076 121.051 119.950 0.041 0.000 2.456 534 F HA 0.419 4.955 4.527 0.015 0.000 0.358 534 F C 1.685 177.506 175.800 0.035 0.000 1.095 534 F CA 0.205 58.231 58.000 0.044 0.000 1.216 534 F CB 1.251 40.279 39.000 0.047 0.000 1.125 534 F HN 0.750 nan 8.300 nan 0.000 0.549 535 R N -0.013 120.632 120.500 0.240 0.000 2.254 535 R HA 0.145 4.494 4.340 0.015 0.000 0.193 535 R C -0.375 175.998 176.300 0.123 0.000 0.929 535 R CA 0.695 56.878 56.100 0.138 0.000 1.038 535 R CB 0.453 30.805 30.300 0.087 0.000 1.009 535 R HN 0.807 nan 8.270 nan 0.000 0.512 536 T N -3.595 111.050 114.554 0.152 0.000 2.942 536 T HA 0.279 4.639 4.350 0.015 0.000 0.327 536 T C 0.189 174.954 174.700 0.109 0.000 1.360 536 T CA -0.901 61.267 62.100 0.112 0.000 1.055 536 T CB 1.998 70.918 68.868 0.087 0.000 1.261 536 T HN -0.080 nan 8.240 nan 0.000 0.485 537 R N 0.728 121.292 120.500 0.106 0.000 2.154 537 R HA -0.170 4.179 4.340 0.015 0.000 0.248 537 R C 1.221 177.625 176.300 0.173 0.000 1.155 537 R CA 2.276 58.447 56.100 0.119 0.000 0.979 537 R CB -0.647 29.757 30.300 0.172 0.000 0.869 537 R HN 0.700 nan 8.270 nan 0.000 0.452 538 D N 0.608 121.105 120.400 0.161 0.000 2.170 538 D HA -0.202 4.447 4.640 0.015 0.000 0.193 538 D C 1.316 177.607 176.300 -0.015 0.000 1.004 538 D CA 1.424 55.457 54.000 0.054 0.000 0.860 538 D CB -0.202 40.644 40.800 0.076 0.000 0.931 538 D HN 0.415 nan 8.370 nan 0.000 0.448 539 E N -0.381 119.867 120.200 0.079 0.000 2.478 539 E HA -0.010 4.349 4.350 0.015 0.000 0.198 539 E C 1.692 178.376 176.600 0.140 0.000 1.046 539 E CA -0.033 56.477 56.400 0.184 0.000 0.870 539 E CB -0.009 29.938 29.700 0.412 0.000 0.818 539 E HN 0.360 nan 8.360 nan 0.000 0.527 540 L N 0.577 121.714 121.223 -0.144 0.000 2.551 540 L HA -0.103 4.246 4.340 0.015 0.000 0.228 540 L C 1.907 178.692 176.870 -0.141 0.000 1.153 540 L CA 0.750 55.419 54.840 -0.284 0.000 0.851 540 L CB -0.062 41.878 42.059 -0.199 0.000 0.959 540 L HN 0.033 nan 8.230 nan 0.000 0.451 541 K N 0.038 120.324 120.400 -0.189 0.000 2.155 541 K HA -0.109 4.220 4.320 0.015 0.000 0.203 541 K C 1.643 178.203 176.600 -0.065 0.000 1.052 541 K CA 0.787 56.940 56.287 -0.224 0.000 0.948 541 K CB 0.048 32.358 32.500 -0.316 0.000 0.728 541 K HN 0.023 nan 8.250 nan 0.000 0.448 542 K N 0.879 121.299 120.400 0.033 0.000 2.525 542 K HA 0.040 4.369 4.320 0.015 0.000 0.192 542 K C -0.072 176.667 176.600 0.232 0.000 1.029 542 K CA 0.133 56.506 56.287 0.144 0.000 1.029 542 K CB 0.100 32.730 32.500 0.217 0.000 0.814 542 K HN -0.105 nan 8.250 nan 0.000 0.503 543 V N 0.770 120.661 119.914 -0.038 0.000 2.715 543 V HA -0.065 4.064 4.120 0.015 0.000 0.299 543 V C 1.722 177.812 176.094 -0.007 0.000 1.054 543 V CA 0.157 62.253 62.300 -0.341 0.000 1.077 543 V CB 1.443 33.070 31.823 -0.327 0.000 0.972 543 V HN 0.295 nan 8.190 nan 0.000 0.484 544 S N 3.761 119.542 115.700 0.136 0.000 2.401 544 S HA -0.248 4.232 4.470 0.015 0.000 0.236 544 S C 1.807 176.442 174.600 0.059 0.000 1.058 544 S CA 2.247 60.527 58.200 0.134 0.000 1.151 544 S CB -0.123 63.161 63.200 0.140 0.000 1.049 544 S HN 0.792 nan 8.310 nan 0.000 0.432 545 R N -0.024 120.495 120.500 0.032 0.000 2.308 545 R HA 0.298 4.647 4.340 0.015 0.000 0.202 545 R C 0.290 176.595 176.300 0.007 0.000 0.898 545 R CA -0.347 55.764 56.100 0.018 0.000 1.046 545 R CB -0.771 29.539 30.300 0.015 0.000 1.026 545 R HN 0.355 nan 8.270 nan 0.000 0.512 546 L N 2.393 123.615 121.223 -0.003 0.000 2.706 546 L HA -0.035 4.314 4.340 0.015 0.000 0.282 546 L C 0.460 177.333 176.870 0.006 0.000 1.219 546 L CA 1.201 56.040 54.840 -0.002 0.000 0.935 546 L CB -0.402 41.644 42.059 -0.023 0.000 1.204 546 L HN 0.183 nan 8.230 nan 0.000 0.491 547 G N 4.102 112.915 108.800 0.021 0.000 2.644 547 G HA2 0.403 4.373 3.960 0.015 0.000 0.307 547 G HA3 0.403 4.373 3.960 0.015 0.000 0.307 547 G C 0.559 175.490 174.900 0.051 0.000 1.250 547 G CA -0.330 44.782 45.100 0.020 0.000 0.996 547 G HN 0.614 nan 8.290 nan 0.000 0.489 548 E N -0.114 120.109 120.200 0.038 0.000 2.051 548 E HA -0.117 4.242 4.350 0.015 0.000 0.192 548 E C 2.232 178.876 176.600 0.073 0.000 0.991 548 E CA 0.791 57.231 56.400 0.068 0.000 0.799 548 E CB 0.028 29.750 29.700 0.038 0.000 0.748 548 E HN 0.351 nan 8.360 nan 0.000 0.449 549 K N 0.536 120.946 120.400 0.017 0.000 2.057 549 K HA -0.046 4.283 4.320 0.015 0.000 0.206 549 K C 2.156 178.724 176.600 -0.054 0.000 1.050 549 K CA 1.149 57.416 56.287 -0.034 0.000 0.935 549 K CB -0.591 31.880 32.500 -0.048 0.000 0.715 549 K HN 0.105 nan 8.250 nan 0.000 0.439 550 T N 1.214 115.759 114.554 -0.014 0.000 2.622 550 T HA -0.161 4.198 4.350 0.015 0.000 0.266 550 T C 1.697 176.396 174.700 -0.002 0.000 1.047 550 T CA 1.636 63.723 62.100 -0.021 0.000 1.159 550 T CB -0.632 68.240 68.868 0.007 0.000 0.863 550 T HN 0.279 nan 8.240 nan 0.000 0.422 551 F N 1.857 121.760 119.950 -0.078 0.000 2.027 551 F HA -0.258 4.279 4.527 0.015 0.000 0.297 551 F C 2.652 178.411 175.800 -0.068 0.000 1.129 551 F CA 2.268 60.221 58.000 -0.078 0.000 1.195 551 F CB -0.293 38.670 39.000 -0.060 0.000 0.960 551 F HN 0.196 nan 8.300 nan 0.000 0.485 552 E N -0.496 119.694 120.200 -0.017 0.000 2.253 552 E HA -0.360 3.999 4.350 0.015 0.000 0.202 552 E C 1.944 178.449 176.600 -0.159 0.000 1.014 552 E CA 1.668 58.046 56.400 -0.037 0.000 0.823 552 E CB -0.182 29.514 29.700 -0.007 0.000 0.736 552 E HN 0.490 nan 8.360 nan 0.000 0.478 553 Q N -1.259 118.374 119.800 -0.278 0.000 2.402 553 Q HA 0.172 4.522 4.340 0.015 0.000 0.206 553 Q C 1.103 177.060 176.000 -0.071 0.000 0.919 553 Q CA 1.031 56.636 55.803 -0.330 0.000 0.923 553 Q CB 0.598 29.138 28.738 -0.330 0.000 1.048 553 Q HN 0.314 nan 8.270 nan 0.000 0.515 554 A N -1.238 121.506 122.820 -0.125 0.000 2.211 554 A HA 0.491 4.820 4.320 0.015 0.000 0.208 554 A C 1.935 179.433 177.584 -0.143 0.000 1.250 554 A CA 0.644 52.655 52.037 -0.043 0.000 0.935 554 A CB -0.353 18.598 19.000 -0.082 0.000 0.982 554 A HN 0.267 nan 8.150 nan 0.000 0.490 555 A N 0.346 122.844 122.820 -0.537 0.000 1.927 555 A HA -0.031 4.299 4.320 0.015 0.000 0.220 555 A C 2.292 179.498 177.584 -0.631 0.000 1.185 555 A CA 2.205 53.751 52.037 -0.819 0.000 0.639 555 A CB -1.394 16.576 19.000 -1.717 0.000 0.820 555 A HN 0.903 nan 8.150 nan 0.000 0.451 556 G N -2.133 106.211 108.800 -0.760 0.000 2.470 556 G HA2 -0.051 3.918 3.960 0.015 0.000 0.220 556 G HA3 -0.051 3.918 3.960 0.015 0.000 0.220 556 G C 1.094 175.634 174.900 -0.599 0.000 1.121 556 G CA 1.074 45.697 45.100 -0.795 0.000 0.766 556 G HN 0.507 nan 8.290 nan 0.000 0.553 557 F N -0.052 119.823 119.950 -0.125 0.000 2.731 557 F HA 0.441 4.977 4.527 0.015 0.000 0.298 557 F C 1.242 177.005 175.800 -0.061 0.000 1.106 557 F CA -0.589 57.391 58.000 -0.033 0.000 1.329 557 F CB 0.029 39.034 39.000 0.008 0.000 1.100 557 F HN -0.099 nan 8.300 nan 0.000 0.592 558 L N 0.332 121.573 121.223 0.029 0.000 2.468 558 L HA 0.481 4.830 4.340 0.015 0.000 0.254 558 L C 0.081 176.930 176.870 -0.036 0.000 1.171 558 L CA -0.447 54.383 54.840 -0.017 0.000 0.809 558 L CB 0.836 42.846 42.059 -0.082 0.000 1.155 558 L HN -0.031 nan 8.230 nan 0.000 0.473 559 R N 0.159 120.648 120.500 -0.018 0.000 2.658 559 R HA 0.340 4.689 4.340 0.015 0.000 0.287 559 R C -1.817 174.493 176.300 0.017 0.000 1.209 559 R CA -0.377 55.720 56.100 -0.004 0.000 1.046 559 R CB 1.557 31.860 30.300 0.005 0.000 1.247 559 R HN 0.325 nan 8.270 nan 0.000 0.405 560 V N 6.132 126.062 119.914 0.027 0.000 2.432 560 V HA 0.104 4.233 4.120 0.015 0.000 0.271 560 V C 1.425 177.545 176.094 0.044 0.000 1.046 560 V CA -0.354 61.977 62.300 0.052 0.000 0.945 560 V CB 1.419 33.285 31.823 0.071 0.000 0.992 560 V HN 0.809 nan 8.190 nan 0.000 0.471 561 M N 3.056 122.682 119.600 0.044 0.000 2.081 561 M HA 0.012 4.501 4.480 0.015 0.000 0.261 561 M C 1.063 177.379 176.300 0.028 0.000 1.075 561 M CA 1.740 57.059 55.300 0.033 0.000 1.133 561 M CB -0.669 31.950 32.600 0.031 0.000 1.330 561 M HN 0.641 nan 8.290 nan 0.000 0.414 562 N N 0.547 119.266 118.700 0.031 0.000 2.635 562 N HA 0.298 5.047 4.740 0.015 0.000 0.307 562 N C 0.480 176.007 175.510 0.028 0.000 1.433 562 N CA -0.537 52.527 53.050 0.024 0.000 0.973 562 N CB 0.762 39.262 38.487 0.020 0.000 1.304 562 N HN 0.225 nan 8.380 nan 0.000 0.507 563 G N 0.330 109.150 108.800 0.033 0.000 2.486 563 G HA2 -0.042 3.927 3.960 0.015 0.000 0.272 563 G HA3 -0.042 3.927 3.960 0.015 0.000 0.272 563 G C 0.230 175.142 174.900 0.021 0.000 1.426 563 G CA 0.136 45.259 45.100 0.038 0.000 1.058 563 G HN 0.105 nan 8.290 nan 0.000 0.531 564 D N -0.708 119.702 120.400 0.017 0.000 2.355 564 D HA 0.025 4.674 4.640 0.015 0.000 0.233 564 D C 0.813 177.099 176.300 -0.024 0.000 0.997 564 D CA 0.213 54.212 54.000 -0.002 0.000 0.920 564 D CB -0.185 40.615 40.800 0.000 0.000 1.063 564 D HN 0.132 nan 8.370 nan 0.000 0.465 565 N N 2.227 120.902 118.700 -0.040 0.000 2.416 565 N HA 0.015 4.765 4.740 0.015 0.000 0.271 565 N C -1.680 173.796 175.510 -0.055 0.000 1.245 565 N CA -0.658 52.336 53.050 -0.093 0.000 0.940 565 N CB 1.395 39.779 38.487 -0.171 0.000 1.175 565 N HN 0.089 nan 8.380 nan 0.000 0.483 566 P HA -0.145 nan 4.420 nan 0.000 0.219 566 P C 1.089 178.385 177.300 -0.006 0.000 1.146 566 P CA 0.994 64.082 63.100 -0.020 0.000 0.808 566 P CB 0.103 31.789 31.700 -0.022 0.000 0.779 567 L N -3.047 118.164 121.223 -0.019 0.000 2.713 567 L HA 0.275 4.624 4.340 0.015 0.000 0.245 567 L C 0.023 176.964 176.870 0.117 0.000 1.169 567 L CA 0.620 55.486 54.840 0.044 0.000 0.962 567 L CB -1.026 41.062 42.059 0.049 0.000 1.161 567 L HN -0.278 nan 8.230 nan 0.000 0.427 568 D N 0.858 121.301 120.400 0.072 0.000 2.440 568 D HA 0.278 4.927 4.640 0.015 0.000 0.216 568 D C 1.416 177.741 176.300 0.041 0.000 1.150 568 D CA 0.388 54.438 54.000 0.084 0.000 0.832 568 D CB 1.110 41.959 40.800 0.082 0.000 0.992 568 D HN 0.455 nan 8.370 nan 0.000 0.502 569 A N -0.469 122.370 122.820 0.032 0.000 2.571 569 A HA 0.356 4.685 4.320 0.015 0.000 0.274 569 A C 0.633 178.225 177.584 0.014 0.000 1.196 569 A CA -0.269 51.780 52.037 0.019 0.000 0.957 569 A CB 0.508 19.519 19.000 0.018 0.000 1.150 569 A HN 0.064 nan 8.150 nan 0.000 0.539 570 S N -0.972 114.739 115.700 0.018 0.000 2.568 570 S HA 0.580 5.059 4.470 0.015 0.000 0.302 570 S C 1.036 175.632 174.600 -0.008 0.000 1.082 570 S CA 0.193 58.399 58.200 0.011 0.000 1.009 570 S CB 1.580 64.796 63.200 0.027 0.000 1.069 570 S HN 0.931 nan 8.310 nan 0.000 0.500 571 A N 2.949 125.757 122.820 -0.020 0.000 2.259 571 A HA 0.150 4.479 4.320 0.015 0.000 0.212 571 A C 0.669 178.272 177.584 0.032 0.000 1.178 571 A CA 0.436 52.449 52.037 -0.040 0.000 0.734 571 A CB -0.763 18.196 19.000 -0.068 0.000 0.774 571 A HN 0.748 nan 8.150 nan 0.000 0.481 572 V N 2.544 122.478 119.914 0.034 0.000 2.425 572 V HA -0.026 4.103 4.120 0.015 0.000 0.276 572 V C 0.873 176.952 176.094 -0.026 0.000 1.017 572 V CA -0.224 62.116 62.300 0.067 0.000 1.062 572 V CB -0.468 31.398 31.823 0.071 0.000 0.997 572 V HN 0.544 nan 8.190 nan 0.000 0.476 573 H N 8.503 127.504 119.070 -0.116 0.000 2.815 573 H HA 0.098 4.664 4.556 0.015 0.000 0.350 573 H C -1.704 173.288 175.328 -0.560 0.000 1.080 573 H CA -1.629 54.185 56.048 -0.389 0.000 1.433 573 H CB 1.749 31.231 29.762 -0.467 0.000 1.432 573 H HN 0.352 nan 8.280 nan 0.000 0.592 574 P HA -0.105 nan 4.420 nan 0.000 0.225 574 P C 1.206 178.278 177.300 -0.380 0.000 1.148 574 P CA 1.050 63.459 63.100 -1.151 0.000 0.779 574 P CB 0.120 31.540 31.700 -0.467 0.000 0.780 575 E N -0.005 120.238 120.200 0.070 0.000 2.209 575 E HA -0.158 4.201 4.350 0.015 0.000 0.196 575 E C 0.901 177.507 176.600 0.010 0.000 0.993 575 E CA 1.680 58.118 56.400 0.065 0.000 0.819 575 E CB -0.140 29.484 29.700 -0.128 0.000 0.745 575 E HN 0.267 nan 8.360 nan 0.000 0.477 576 T N -2.411 112.060 114.554 -0.139 0.000 3.092 576 T HA 0.064 4.424 4.350 0.015 0.000 0.258 576 T C 1.156 175.771 174.700 -0.142 0.000 1.031 576 T CA -0.453 61.458 62.100 -0.315 0.000 0.925 576 T CB -0.257 68.420 68.868 -0.318 0.000 1.036 576 T HN 0.047 nan 8.240 nan 0.000 0.544 577 Y N 2.837 123.088 120.300 -0.081 0.000 2.096 577 Y HA -0.040 4.519 4.550 0.015 0.000 0.278 577 Y C -0.494 175.329 175.900 -0.128 0.000 1.192 577 Y CA 0.787 58.843 58.100 -0.073 0.000 1.143 577 Y CB -1.980 36.474 38.460 -0.010 0.000 0.963 577 Y HN 0.331 nan 8.280 nan 0.000 0.505 578 P HA -0.160 nan 4.420 nan 0.000 0.215 578 P C 1.971 179.110 177.300 -0.268 0.000 1.157 578 P CA 1.248 64.316 63.100 -0.054 0.000 0.863 578 P CB -0.202 31.506 31.700 0.013 0.000 0.787 579 L N -0.516 120.429 121.223 -0.465 0.000 2.127 579 L HA -0.123 4.227 4.340 0.015 0.000 0.211 579 L C 1.910 178.346 176.870 -0.724 0.000 1.089 579 L CA 1.963 56.210 54.840 -0.988 0.000 0.757 579 L CB -1.294 40.265 42.059 -0.833 0.000 0.899 579 L HN -0.172 nan 8.230 nan 0.000 0.434 580 V N -0.348 119.352 119.914 -0.356 0.000 2.453 580 V HA -0.205 3.925 4.120 0.015 0.000 0.247 580 V C 2.587 178.576 176.094 -0.174 0.000 1.048 580 V CA 1.567 63.742 62.300 -0.208 0.000 1.049 580 V CB -0.536 31.245 31.823 -0.070 0.000 0.672 580 V HN 0.587 nan 8.190 nan 0.000 0.457 581 Q N 0.978 120.686 119.800 -0.154 0.000 2.172 581 Q HA -0.081 4.269 4.340 0.015 0.000 0.200 581 Q C 1.839 177.781 176.000 -0.096 0.000 0.964 581 Q CA 1.376 57.120 55.803 -0.100 0.000 0.855 581 Q CB -0.252 28.447 28.738 -0.064 0.000 0.918 581 Q HN 0.449 nan 8.270 nan 0.000 0.444 582 R N 0.502 120.899 120.500 -0.172 0.000 4.054 582 R HA 0.083 4.432 4.340 0.015 0.000 0.227 582 R C -0.215 176.049 176.300 -0.059 0.000 1.902 582 R CA 0.031 56.089 56.100 -0.070 0.000 1.590 582 R CB 0.025 30.346 30.300 0.036 0.000 1.245 582 R HN 0.297 nan 8.270 nan 0.000 0.647 583 I N -0.143 120.392 120.570 -0.058 0.000 3.833 583 I HA 0.100 4.279 4.170 0.015 0.000 0.328 583 I C 1.587 177.721 176.117 0.029 0.000 1.554 583 I CA 0.032 61.325 61.300 -0.012 0.000 1.116 583 I CB 0.092 38.068 38.000 -0.041 0.000 1.182 583 I HN 0.089 nan 8.210 nan 0.000 0.459 584 A N 1.240 124.077 122.820 0.028 0.000 1.978 584 A HA 0.049 4.378 4.320 0.015 0.000 0.220 584 A C 1.642 179.257 177.584 0.052 0.000 1.170 584 A CA 1.210 53.267 52.037 0.033 0.000 0.636 584 A CB -0.241 18.777 19.000 0.030 0.000 0.810 584 A HN 0.409 nan 8.150 nan 0.000 0.448 585 A N 0.020 122.881 122.820 0.068 0.000 2.531 585 A HA 0.378 4.707 4.320 0.015 0.000 0.236 585 A C 0.126 177.780 177.584 0.118 0.000 1.062 585 A CA 0.348 52.435 52.037 0.082 0.000 0.760 585 A CB -0.195 18.856 19.000 0.086 0.000 0.995 585 A HN 0.567 nan 8.150 nan 0.000 0.501 586 D N 0.577 121.055 120.400 0.130 0.000 2.812 586 D HA -0.126 4.523 4.640 0.015 0.000 0.237 586 D C 0.277 176.656 176.300 0.132 0.000 1.162 586 D CA 1.749 55.872 54.000 0.205 0.000 0.740 586 D CB -1.607 39.486 40.800 0.488 0.000 1.000 586 D HN 0.756 nan 8.370 nan 0.000 0.416 587 T N 0.372 114.953 114.554 0.044 0.000 3.333 587 T HA -0.022 4.337 4.350 0.015 0.000 0.240 587 T C 0.892 175.575 174.700 -0.028 0.000 0.961 587 T CA 0.219 62.328 62.100 0.015 0.000 1.215 587 T CB 0.075 68.944 68.868 0.001 0.000 1.031 587 T HN 0.038 nan 8.240 nan 0.000 0.709 588 E N 3.417 123.614 120.200 -0.004 0.000 2.451 588 E HA 0.114 4.473 4.350 0.015 0.000 0.194 588 E C 1.719 178.314 176.600 -0.008 0.000 1.027 588 E CA -0.119 56.252 56.400 -0.048 0.000 0.914 588 E CB 0.201 29.892 29.700 -0.016 0.000 1.054 588 E HN 0.740 nan 8.360 nan 0.000 0.461 589 R N 0.885 121.383 120.500 -0.003 0.000 2.407 589 R HA -0.102 4.247 4.340 0.015 0.000 0.241 589 R C 0.235 176.526 176.300 -0.014 0.000 1.180 589 R CA 0.632 56.729 56.100 -0.006 0.000 1.048 589 R CB -0.290 30.004 30.300 -0.009 0.000 0.847 589 R HN 0.113 nan 8.270 nan 0.000 0.488 590 D N 2.573 122.960 120.400 -0.021 0.000 2.402 590 D HA -0.046 4.604 4.640 0.015 0.000 0.268 590 D C 1.304 177.596 176.300 -0.014 0.000 1.294 590 D CA 0.925 54.911 54.000 -0.023 0.000 0.945 590 D CB 0.232 41.012 40.800 -0.034 0.000 1.112 590 D HN 0.320 nan 8.370 nan 0.000 0.517 591 I N 0.211 120.773 120.570 -0.014 0.000 5.931 591 I HA -0.433 3.746 4.170 0.015 0.000 0.199 591 I C -0.076 176.037 176.117 -0.007 0.000 1.808 591 I CA 0.740 62.033 61.300 -0.011 0.000 2.065 591 I CB -0.835 37.161 38.000 -0.007 0.000 3.387 591 I HN 0.486 nan 8.210 nan 0.000 0.216 592 R N -0.263 120.233 120.500 -0.007 0.000 3.878 592 R HA -0.284 4.066 4.340 0.015 0.000 0.330 592 R C 1.274 177.588 176.300 0.023 0.000 1.186 592 R CA 1.921 58.022 56.100 0.002 0.000 0.885 592 R CB -2.735 27.561 30.300 -0.007 0.000 1.377 592 R HN 1.939 nan 8.270 nan 0.000 0.523 593 S N -3.154 112.568 115.700 0.037 0.000 1.929 593 S HA -0.292 4.187 4.470 0.015 0.000 0.234 593 S C 0.500 175.133 174.600 0.055 0.000 1.022 593 S CA 0.985 59.232 58.200 0.079 0.000 1.520 593 S CB -1.242 62.053 63.200 0.159 0.000 1.942 593 S HN 0.493 nan 8.310 nan 0.000 0.555 594 L N 3.247 124.488 121.223 0.030 0.000 2.685 594 L HA 0.237 4.586 4.340 0.015 0.000 0.305 594 L C 1.305 178.189 176.870 0.023 0.000 1.258 594 L CA 1.277 56.130 54.840 0.020 0.000 0.876 594 L CB -0.648 41.417 42.059 0.010 0.000 1.124 594 L HN 1.391 nan 8.230 nan 0.000 0.507 595 I N 3.085 123.667 120.570 0.020 0.000 5.760 595 I HA -0.261 3.918 4.170 0.015 0.000 0.251 595 I C 1.306 177.439 176.117 0.027 0.000 1.734 595 I CA 1.520 62.832 61.300 0.020 0.000 1.970 595 I CB -1.270 36.739 38.000 0.015 0.000 3.188 595 I HN 0.867 nan 8.210 nan 0.000 0.335 596 G N 0.541 109.365 108.800 0.040 0.000 3.262 596 G HA2 0.152 4.121 3.960 0.015 0.000 0.222 596 G HA3 0.152 4.121 3.960 0.015 0.000 0.222 596 G C 0.631 175.566 174.900 0.059 0.000 1.269 596 G CA 0.410 45.544 45.100 0.058 0.000 1.032 596 G HN 0.668 nan 8.290 nan 0.000 0.502 597 D N 0.292 120.715 120.400 0.038 0.000 3.554 597 D HA -0.248 4.401 4.640 0.015 0.000 0.171 597 D C 1.910 178.230 176.300 0.034 0.000 1.156 597 D CA 1.801 55.819 54.000 0.030 0.000 0.846 597 D CB -0.563 40.253 40.800 0.027 0.000 0.477 597 D HN 0.136 nan 8.370 nan 0.000 0.457 598 S N -0.734 114.984 115.700 0.029 0.000 2.595 598 S HA 0.133 4.613 4.470 0.015 0.000 0.235 598 S C 0.616 175.247 174.600 0.051 0.000 0.974 598 S CA 0.539 58.755 58.200 0.027 0.000 0.942 598 S CB -0.166 63.046 63.200 0.020 0.000 0.766 598 S HN 0.567 nan 8.310 nan 0.000 0.536 599 A N 0.930 123.793 122.820 0.072 0.000 2.666 599 A HA 0.506 4.835 4.320 0.015 0.000 0.301 599 A C 0.547 178.266 177.584 0.225 0.000 1.470 599 A CA -0.419 51.686 52.037 0.113 0.000 1.159 599 A CB -1.055 17.995 19.000 0.082 0.000 1.116 599 A HN 0.412 nan 8.150 nan 0.000 0.548 600 F N 0.682 120.632 119.950 0.001 0.000 2.544 600 F HA -0.366 4.169 4.527 0.014 0.000 0.702 600 F C 1.110 176.910 175.800 0.001 0.000 0.487 600 F CA 2.189 60.190 58.000 0.001 0.000 0.774 600 F CB -1.457 37.544 39.000 0.000 0.000 1.639 600 F HN 0.447 nan 8.300 nan 0.000 0.268 601 L N 1.939 123.205 121.223 0.072 0.000 2.089 601 L HA -0.117 4.232 4.340 0.015 0.000 0.213 601 L C 1.309 178.128 176.870 -0.084 0.000 1.079 601 L CA 2.523 57.343 54.840 -0.034 0.000 0.758 601 L CB -0.765 41.315 42.059 0.035 0.000 0.891 601 L HN 0.297 nan 8.230 nan 0.000 0.433 602 K N 0.463 120.836 120.400 -0.046 0.000 2.504 602 K HA -0.130 4.199 4.320 0.015 0.000 0.278 602 K C 0.834 177.384 176.600 -0.083 0.000 1.025 602 K CA 0.377 56.636 56.287 -0.046 0.000 1.093 602 K CB 0.234 32.722 32.500 -0.020 0.000 0.873 602 K HN 0.212 nan 8.250 nan 0.000 0.483 603 R N 3.010 123.471 120.500 -0.065 0.000 2.921 603 R HA -0.313 4.036 4.340 0.015 0.000 0.193 603 R C 0.743 176.983 176.300 -0.099 0.000 0.860 603 R CA 2.065 58.124 56.100 -0.068 0.000 1.474 603 R CB -2.333 27.940 30.300 -0.045 0.000 0.643 603 R HN 0.940 nan 8.270 nan 0.000 0.634 604 L N 1.406 122.544 121.223 -0.142 0.000 3.608 604 L HA -0.202 4.147 4.340 0.015 0.000 0.422 604 L C -0.167 176.637 176.870 -0.109 0.000 1.260 604 L CA 0.803 55.528 54.840 -0.192 0.000 0.889 604 L CB -1.728 40.163 42.059 -0.280 0.000 1.821 604 L HN 0.638 nan 8.230 nan 0.000 0.884 605 D N 0.154 120.509 120.400 -0.076 0.000 6.987 605 D HA -0.140 4.510 4.640 0.015 0.000 0.083 605 D C -1.181 175.102 176.300 -0.028 0.000 0.967 605 D CA 0.258 54.232 54.000 -0.043 0.000 0.738 605 D CB 0.630 41.408 40.800 -0.036 0.000 1.484 605 D HN 0.167 nan 8.370 nan 0.000 0.835 606 P HA 0.012 nan 4.420 nan 0.000 0.313 606 P C 0.466 177.776 177.300 0.016 0.000 1.332 606 P CA 0.199 63.301 63.100 0.004 0.000 0.777 606 P CB 0.130 31.832 31.700 0.005 0.000 1.599 607 K N -1.959 118.458 120.400 0.028 0.000 3.495 607 K HA -0.285 4.044 4.320 0.015 0.000 0.315 607 K C 1.259 177.884 176.600 0.042 0.000 1.301 607 K CA 1.878 58.182 56.287 0.028 0.000 0.985 607 K CB -1.777 30.730 32.500 0.012 0.000 1.244 607 K HN 0.247 nan 8.250 nan 0.000 0.433 608 K N -0.679 119.760 120.400 0.064 0.000 2.015 608 K HA -0.056 4.273 4.320 0.015 0.000 0.216 608 K C 0.195 176.904 176.600 0.181 0.000 1.052 608 K CA 1.959 58.309 56.287 0.105 0.000 0.937 608 K CB -0.103 32.457 32.500 0.100 0.000 0.719 608 K HN 0.212 nan 8.250 nan 0.000 0.446 609 F N -0.354 119.598 119.950 0.004 0.000 2.518 609 F HA 0.311 4.847 4.527 0.016 0.000 0.323 609 F C -1.173 174.654 175.800 0.045 0.000 1.129 609 F CA -0.519 57.489 58.000 0.014 0.000 0.920 609 F CB 2.524 41.517 39.000 -0.011 0.000 1.160 609 F HN -0.055 nan 8.300 nan 0.000 0.440 610 T N 3.025 117.466 114.554 -0.189 0.000 4.617 610 T HA 0.019 4.378 4.350 0.015 0.000 0.204 610 T C -0.762 173.859 174.700 -0.131 0.000 0.898 610 T CA -0.752 61.319 62.100 -0.048 0.000 1.387 610 T CB -0.414 68.453 68.868 -0.002 0.000 0.765 610 T HN 0.482 nan 8.240 nan 0.000 0.563 611 D N 2.196 122.461 120.400 -0.225 0.000 2.581 611 D HA -0.126 4.523 4.640 0.015 0.000 0.214 611 D C 0.565 176.883 176.300 0.031 0.000 1.259 611 D CA 0.935 54.906 54.000 -0.048 0.000 0.867 611 D CB 0.655 41.513 40.800 0.097 0.000 1.233 611 D HN 0.291 nan 8.370 nan 0.000 0.550 612 E N 0.407 120.618 120.200 0.019 0.000 1.936 612 E HA 0.142 4.501 4.350 0.015 0.000 0.267 612 E C 0.109 176.676 176.600 -0.055 0.000 1.076 612 E CA 0.095 56.489 56.400 -0.010 0.000 0.870 612 E CB -0.029 29.660 29.700 -0.019 0.000 1.093 612 E HN 0.601 nan 8.360 nan 0.000 0.411 613 T N -0.269 114.227 114.554 -0.098 0.000 3.785 613 T HA -0.031 4.328 4.350 0.015 0.000 0.210 613 T C 0.374 174.860 174.700 -0.357 0.000 0.600 613 T CA -0.413 61.477 62.100 -0.350 0.000 1.026 613 T CB -0.532 67.907 68.868 -0.714 0.000 0.743 613 T HN 0.127 nan 8.240 nan 0.000 0.328 614 F N 2.090 122.071 119.950 0.051 0.000 2.377 614 F HA 0.766 5.303 4.527 0.016 0.000 0.335 614 F C 1.492 177.326 175.800 0.057 0.000 1.099 614 F CA -0.060 57.974 58.000 0.057 0.000 1.072 614 F CB 0.431 39.488 39.000 0.095 0.000 1.417 614 F HN 0.955 nan 8.300 nan 0.000 0.495 615 G N 0.386 109.355 108.800 0.281 0.000 2.441 615 G HA2 0.279 4.248 3.960 0.015 0.000 0.233 615 G HA3 0.279 4.248 3.960 0.015 0.000 0.233 615 G C -0.873 174.084 174.900 0.095 0.000 1.703 615 G CA -0.099 45.099 45.100 0.164 0.000 1.020 615 G HN 0.687 nan 8.290 nan 0.000 0.600 616 L N -1.509 119.766 121.223 0.086 0.000 1.420 616 L HA 0.133 4.482 4.340 0.015 0.000 0.038 616 L C -1.494 175.390 176.870 0.024 0.000 1.747 616 L CA 0.366 55.233 54.840 0.045 0.000 0.963 616 L CB -0.305 41.770 42.059 0.027 0.000 1.674 616 L HN 0.088 nan 8.230 nan 0.000 0.381 617 P HA -0.073 nan 4.420 nan 0.000 0.240 617 P C 0.591 177.879 177.300 -0.020 0.000 1.186 617 P CA 1.578 64.667 63.100 -0.018 0.000 0.755 617 P CB -0.221 31.462 31.700 -0.028 0.000 0.870 618 T N -2.449 112.121 114.554 0.026 0.000 3.037 618 T HA 0.109 4.468 4.350 0.015 0.000 0.251 618 T C 1.572 176.299 174.700 0.046 0.000 1.079 618 T CA 0.394 62.532 62.100 0.063 0.000 1.067 618 T CB 0.192 69.172 68.868 0.186 0.000 0.948 618 T HN -0.013 nan 8.240 nan 0.000 0.496 619 V N 0.277 120.211 119.914 0.033 0.000 3.350 619 V HA 0.085 4.214 4.120 0.015 0.000 0.246 619 V C 2.044 178.134 176.094 -0.007 0.000 1.363 619 V CA 0.482 62.789 62.300 0.011 0.000 1.162 619 V CB 0.153 32.001 31.823 0.042 0.000 0.947 619 V HN 0.261 nan 8.190 nan 0.000 0.454 620 T N 0.326 114.879 114.554 -0.003 0.000 3.194 620 T HA 0.003 4.363 4.350 0.015 0.000 0.251 620 T C 1.085 175.769 174.700 -0.026 0.000 1.132 620 T CA 0.731 62.822 62.100 -0.015 0.000 1.028 620 T CB -0.200 68.662 68.868 -0.011 0.000 0.976 620 T HN 0.415 nan 8.240 nan 0.000 0.535 621 D N 0.739 121.119 120.400 -0.034 0.000 2.338 621 D HA 0.189 4.838 4.640 0.015 0.000 0.208 621 D C 2.011 178.285 176.300 -0.043 0.000 0.997 621 D CA 0.294 54.264 54.000 -0.049 0.000 0.880 621 D CB 0.328 41.080 40.800 -0.081 0.000 0.980 621 D HN 0.392 nan 8.370 nan 0.000 0.509 622 I N 0.860 121.409 120.570 -0.035 0.000 2.179 622 I HA -0.256 3.923 4.170 0.015 0.000 0.242 622 I C 2.084 178.185 176.117 -0.027 0.000 1.088 622 I CA 0.792 62.075 61.300 -0.029 0.000 1.357 622 I CB -0.172 37.806 38.000 -0.037 0.000 1.051 622 I HN -0.050 nan 8.210 nan 0.000 0.409 623 L N 0.665 121.870 121.223 -0.030 0.000 2.187 623 L HA -0.173 4.176 4.340 0.015 0.000 0.213 623 L C 2.147 179.002 176.870 -0.024 0.000 1.100 623 L CA 1.737 56.559 54.840 -0.030 0.000 0.765 623 L CB -0.757 41.280 42.059 -0.036 0.000 0.904 623 L HN 0.144 nan 8.230 nan 0.000 0.437 624 K N -1.173 119.212 120.400 -0.025 0.000 2.444 624 K HA -0.008 4.321 4.320 0.015 0.000 0.193 624 K C 1.520 178.109 176.600 -0.018 0.000 1.024 624 K CA 0.104 56.378 56.287 -0.021 0.000 1.077 624 K CB 0.331 32.816 32.500 -0.025 0.000 0.833 624 K HN 0.235 nan 8.250 nan 0.000 0.517 625 E N 0.515 120.705 120.200 -0.018 0.000 2.094 625 E HA -0.019 4.341 4.350 0.015 0.000 0.193 625 E C 1.947 178.545 176.600 -0.003 0.000 0.950 625 E CA 0.451 56.844 56.400 -0.012 0.000 0.842 625 E CB 0.068 29.760 29.700 -0.013 0.000 0.816 625 E HN 0.108 nan 8.360 nan 0.000 0.465 626 L N 1.416 122.638 121.223 -0.001 0.000 2.129 626 L HA -0.176 4.173 4.340 0.015 0.000 0.212 626 L C 1.989 178.864 176.870 0.008 0.000 1.087 626 L CA 1.699 56.542 54.840 0.005 0.000 0.757 626 L CB -1.708 40.355 42.059 0.006 0.000 0.896 626 L HN 0.099 nan 8.230 nan 0.000 0.434 627 D N 1.905 122.308 120.400 0.004 0.000 2.116 627 D HA -0.194 4.455 4.640 0.015 0.000 0.193 627 D C 0.826 177.131 176.300 0.008 0.000 0.998 627 D CA 1.761 55.765 54.000 0.007 0.000 0.836 627 D CB 0.323 41.124 40.800 0.001 0.000 0.951 627 D HN 0.518 nan 8.370 nan 0.000 0.449 628 K N 0.034 120.437 120.400 0.005 0.000 3.200 628 K HA 0.273 4.602 4.320 0.015 0.000 0.179 628 K C -2.875 173.728 176.600 0.004 0.000 1.153 628 K CA -1.484 54.807 56.287 0.006 0.000 0.836 628 K CB 0.911 33.414 32.500 0.005 0.000 1.051 628 K HN -0.015 nan 8.250 nan 0.000 0.594 629 P HA -0.100 nan 4.420 nan 0.000 0.264 629 P C 0.692 177.994 177.300 0.004 0.000 1.173 629 P CA 1.268 64.371 63.100 0.005 0.000 0.761 629 P CB 0.244 31.950 31.700 0.009 0.000 0.794 630 G N 3.061 111.861 108.800 0.001 0.000 2.412 630 G HA2 -0.262 3.707 3.960 0.015 0.000 0.297 630 G HA3 -0.262 3.707 3.960 0.015 0.000 0.297 630 G C 0.444 175.348 174.900 0.005 0.000 0.965 630 G CA -0.127 44.974 45.100 0.002 0.000 1.134 630 G HN 0.881 nan 8.290 nan 0.000 0.511 631 R N 0.175 120.677 120.500 0.004 0.000 2.543 631 R HA 0.311 4.660 4.340 0.015 0.000 0.277 631 R C -0.502 175.803 176.300 0.009 0.000 1.074 631 R CA -0.646 55.458 56.100 0.006 0.000 1.076 631 R CB 0.677 30.980 30.300 0.005 0.000 0.993 631 R HN 0.185 nan 8.270 nan 0.000 0.459 632 D N 3.256 123.662 120.400 0.011 0.000 2.374 632 D HA 0.205 4.854 4.640 0.015 0.000 0.240 632 D C -1.637 174.671 176.300 0.013 0.000 1.229 632 D CA -2.031 51.976 54.000 0.012 0.000 0.895 632 D CB 1.079 41.885 40.800 0.010 0.000 1.046 632 D HN 0.337 nan 8.370 nan 0.000 0.498 633 P HA -0.057 nan 4.420 nan 0.000 0.234 633 P C -0.321 176.989 177.300 0.018 0.000 1.162 633 P CA 0.612 63.725 63.100 0.021 0.000 0.759 633 P CB 0.204 31.922 31.700 0.030 0.000 0.813 634 R N 0.162 120.669 120.500 0.011 0.000 2.457 634 R HA 0.365 4.714 4.340 0.015 0.000 0.284 634 R C -2.235 174.073 176.300 0.013 0.000 1.024 634 R CA -2.052 54.052 56.100 0.007 0.000 1.025 634 R CB -0.140 30.159 30.300 -0.001 0.000 1.063 634 R HN -0.052 nan 8.270 nan 0.000 0.493 635 P HA -0.087 nan 4.420 nan 0.000 0.267 635 P C -0.626 176.686 177.300 0.020 0.000 1.200 635 P CA 0.045 63.149 63.100 0.007 0.000 0.772 635 P CB 0.514 32.211 31.700 -0.004 0.000 0.855 636 E N 1.826 122.028 120.200 0.005 0.000 2.404 636 E HA 0.069 4.428 4.350 0.015 0.000 0.261 636 E C -0.834 175.787 176.600 0.035 0.000 1.074 636 E CA -0.474 55.941 56.400 0.024 0.000 0.917 636 E CB 0.279 29.978 29.700 -0.002 0.000 0.965 636 E HN 0.215 nan 8.360 nan 0.000 0.433 637 F N 3.671 123.573 119.950 -0.080 0.000 2.412 637 F HA 0.265 4.800 4.527 0.013 0.000 0.348 637 F C -0.330 175.389 175.800 -0.136 0.000 1.102 637 F CA -0.143 57.798 58.000 -0.099 0.000 1.196 637 F CB 0.531 39.493 39.000 -0.063 0.000 1.144 637 F HN 0.188 nan 8.300 nan 0.000 0.541 638 K N 3.957 123.725 120.400 -1.053 0.000 2.375 638 K HA 0.360 4.689 4.320 0.015 0.000 0.249 638 K C 0.006 175.943 176.600 -1.104 0.000 0.942 638 K CA -0.611 55.122 56.287 -0.924 0.000 0.806 638 K CB 1.643 33.448 32.500 -1.158 0.000 1.227 638 K HN 0.721 nan 8.250 nan 0.000 0.430 639 T N -1.190 113.040 114.554 -0.539 0.000 2.885 639 T HA 0.217 4.576 4.350 0.015 0.000 0.356 639 T C 1.363 175.986 174.700 -0.128 0.000 1.137 639 T CA 0.062 61.989 62.100 -0.289 0.000 1.014 639 T CB 0.217 69.064 68.868 -0.036 0.000 1.410 639 T HN 0.519 nan 8.240 nan 0.000 0.532 640 A N -0.446 122.375 122.820 0.003 0.000 2.147 640 A HA 0.162 4.492 4.320 0.015 0.000 0.211 640 A C 1.859 179.507 177.584 0.107 0.000 1.160 640 A CA 0.568 52.636 52.037 0.052 0.000 0.781 640 A CB -0.342 18.684 19.000 0.043 0.000 0.842 640 A HN 0.808 nan 8.150 nan 0.000 0.475 641 E N -0.255 120.009 120.200 0.107 0.000 2.660 641 E HA 0.033 4.392 4.350 0.015 0.000 0.216 641 E C 1.045 177.662 176.600 0.028 0.000 0.986 641 E CA -0.049 56.384 56.400 0.055 0.000 1.037 641 E CB -0.345 29.369 29.700 0.024 0.000 1.041 641 E HN 0.448 nan 8.360 nan 0.000 0.480 642 F N 1.603 121.510 119.950 -0.071 0.000 2.111 642 F HA -0.266 4.266 4.527 0.009 0.000 0.300 642 F C 2.138 177.907 175.800 -0.052 0.000 1.088 642 F CA 2.049 60.007 58.000 -0.070 0.000 1.243 642 F CB -0.948 37.988 39.000 -0.106 0.000 0.996 642 F HN 0.091 nan 8.300 nan 0.000 0.483 643 Q N 0.494 119.383 119.800 -1.518 0.000 2.152 643 Q HA -0.299 4.050 4.340 0.015 0.000 0.206 643 Q C 2.336 178.031 176.000 -0.510 0.000 0.985 643 Q CA 2.014 57.092 55.803 -1.208 0.000 0.863 643 Q CB -0.516 27.733 28.738 -0.816 0.000 0.904 643 Q HN 0.762 nan 8.270 nan 0.000 0.422 644 E N -1.156 118.855 120.200 -0.315 0.000 2.396 644 E HA -0.157 4.202 4.350 0.015 0.000 0.200 644 E C 1.059 177.574 176.600 -0.143 0.000 1.023 644 E CA 0.891 57.188 56.400 -0.172 0.000 0.857 644 E CB -0.087 29.554 29.700 -0.099 0.000 0.775 644 E HN 0.512 nan 8.360 nan 0.000 0.525 645 G N 0.296 108.989 108.800 -0.178 0.000 3.126 645 G HA2 0.076 4.045 3.960 0.015 0.000 0.224 645 G HA3 0.076 4.045 3.960 0.015 0.000 0.224 645 G C -0.034 174.800 174.900 -0.109 0.000 1.142 645 G CA -0.248 44.789 45.100 -0.104 0.000 0.759 645 G HN 0.120 nan 8.290 nan 0.000 0.550 646 V N 0.519 120.329 119.914 -0.174 0.000 2.347 646 V HA 0.560 4.689 4.120 0.015 0.000 0.280 646 V C 0.037 176.059 176.094 -0.119 0.000 1.021 646 V CA -0.397 61.821 62.300 -0.138 0.000 0.847 646 V CB 1.522 33.234 31.823 -0.185 0.000 0.990 646 V HN 0.303 nan 8.190 nan 0.000 0.444 647 E N 3.232 123.390 120.200 -0.070 0.000 2.441 647 E HA 0.268 4.627 4.350 0.015 0.000 0.207 647 E C 0.695 177.285 176.600 -0.017 0.000 0.803 647 E CA 0.197 56.565 56.400 -0.055 0.000 1.240 647 E CB 0.602 30.309 29.700 0.011 0.000 1.233 647 E HN 0.579 nan 8.360 nan 0.000 0.590 648 S N -0.168 115.538 115.700 0.010 0.000 2.730 648 S HA 0.326 4.806 4.470 0.015 0.000 0.284 648 S C 0.724 175.332 174.600 0.014 0.000 1.153 648 S CA -0.572 57.651 58.200 0.038 0.000 0.995 648 S CB 0.519 63.742 63.200 0.037 0.000 1.058 648 S HN 0.233 nan 8.310 nan 0.000 0.552 649 L N 1.459 122.698 121.223 0.026 0.000 2.418 649 L HA 0.152 4.502 4.340 0.015 0.000 0.218 649 L C 1.668 178.548 176.870 0.017 0.000 1.125 649 L CA 0.842 55.693 54.840 0.018 0.000 0.835 649 L CB -0.238 41.837 42.059 0.027 0.000 0.953 649 L HN 0.682 nan 8.230 nan 0.000 0.454 650 K N -0.665 119.747 120.400 0.020 0.000 2.296 650 K HA -0.058 4.271 4.320 0.015 0.000 0.200 650 K C 0.517 177.129 176.600 0.019 0.000 1.048 650 K CA 0.571 56.870 56.287 0.020 0.000 0.966 650 K CB 0.118 32.630 32.500 0.020 0.000 0.754 650 K HN 0.207 nan 8.250 nan 0.000 0.466 651 D N 1.151 121.560 120.400 0.015 0.000 2.504 651 D HA 0.097 4.746 4.640 0.015 0.000 0.243 651 D C -0.404 175.911 176.300 0.025 0.000 1.203 651 D CA 0.540 54.550 54.000 0.017 0.000 0.847 651 D CB -0.005 40.797 40.800 0.003 0.000 0.973 651 D HN 0.109 nan 8.370 nan 0.000 0.490 652 L N 0.161 121.400 121.223 0.026 0.000 2.401 652 L HA 0.407 4.757 4.340 0.015 0.000 0.266 652 L C -0.101 176.789 176.870 0.033 0.000 0.991 652 L CA -0.714 54.147 54.840 0.034 0.000 0.818 652 L CB 2.769 44.842 42.059 0.022 0.000 1.321 652 L HN -0.378 nan 8.230 nan 0.000 0.413 653 K N 2.453 122.875 120.400 0.038 0.000 2.422 653 K HA 0.497 4.826 4.320 0.015 0.000 0.251 653 K C -2.700 173.916 176.600 0.027 0.000 0.933 653 K CA -2.187 54.117 56.287 0.030 0.000 0.798 653 K CB 2.657 35.175 32.500 0.029 0.000 1.238 653 K HN 0.067 nan 8.250 nan 0.000 0.428 654 P HA 0.081 nan 4.420 nan 0.000 0.256 654 P C 0.235 177.545 177.300 0.016 0.000 1.189 654 P CA 0.799 63.910 63.100 0.018 0.000 0.808 654 P CB 0.316 32.025 31.700 0.016 0.000 0.793 655 G N 2.773 111.584 108.800 0.017 0.000 3.768 655 G HA2 -0.136 3.833 3.960 0.015 0.000 0.214 655 G HA3 -0.136 3.833 3.960 0.015 0.000 0.214 655 G C 0.201 175.107 174.900 0.010 0.000 1.058 655 G CA -0.478 44.629 45.100 0.011 0.000 0.890 655 G HN 0.392 nan 8.290 nan 0.000 0.393 656 M N 1.485 121.098 119.600 0.022 0.000 2.234 656 M HA 0.282 4.771 4.480 0.015 0.000 0.326 656 M C 0.004 176.332 176.300 0.047 0.000 1.077 656 M CA 0.903 56.226 55.300 0.039 0.000 1.052 656 M CB 0.906 33.573 32.600 0.112 0.000 1.607 656 M HN 0.002 nan 8.290 nan 0.000 0.445 657 V N 5.821 125.765 119.914 0.049 0.000 2.266 657 V HA 0.243 4.372 4.120 0.015 0.000 0.266 657 V C -0.503 175.665 176.094 0.122 0.000 1.036 657 V CA -0.691 61.642 62.300 0.054 0.000 0.828 657 V CB 0.084 31.916 31.823 0.014 0.000 1.081 657 V HN 0.607 nan 8.190 nan 0.000 0.449 658 L N 1.261 122.571 121.223 0.144 0.000 2.376 658 L HA 0.756 5.105 4.340 0.015 0.000 0.267 658 L C 0.324 177.227 176.870 0.056 0.000 1.035 658 L CA -0.831 54.101 54.840 0.153 0.000 0.800 658 L CB 0.420 42.533 42.059 0.091 0.000 1.290 658 L HN 0.591 nan 8.230 nan 0.000 0.462 659 E N -0.704 119.511 120.200 0.024 0.000 2.283 659 E HA 0.719 5.079 4.350 0.015 0.000 0.271 659 E C -0.563 176.023 176.600 -0.024 0.000 1.031 659 E CA -0.604 55.796 56.400 0.000 0.000 0.868 659 E CB 1.440 31.140 29.700 -0.000 0.000 1.094 659 E HN 0.898 nan 8.360 nan 0.000 0.401 660 G N 0.660 109.447 108.800 -0.023 0.000 2.687 660 G HA2 0.502 4.472 3.960 0.015 0.000 0.291 660 G HA3 0.502 4.472 3.960 0.015 0.000 0.291 660 G C -1.325 173.560 174.900 -0.025 0.000 1.420 660 G CA -0.611 44.471 45.100 -0.030 0.000 0.796 660 G HN 0.495 nan 8.290 nan 0.000 0.485 661 V N -0.168 119.731 119.914 -0.024 0.000 2.656 661 V HA 0.692 4.822 4.120 0.015 0.000 0.307 661 V C 0.482 176.567 176.094 -0.014 0.000 1.051 661 V CA -1.049 61.239 62.300 -0.019 0.000 0.893 661 V CB 1.135 32.947 31.823 -0.018 0.000 0.999 661 V HN 1.194 nan 8.190 nan 0.000 0.426 662 V N 1.407 121.311 119.914 -0.016 0.000 2.530 662 V HA 0.524 4.653 4.120 0.015 0.000 0.282 662 V C 0.986 177.079 176.094 -0.002 0.000 1.048 662 V CA 0.914 63.207 62.300 -0.012 0.000 0.997 662 V CB 0.902 32.706 31.823 -0.032 0.000 0.987 662 V HN 1.122 nan 8.190 nan 0.000 0.477 663 T N 0.636 115.200 114.554 0.016 0.000 2.990 663 T HA 0.326 4.686 4.350 0.015 0.000 0.250 663 T C 0.568 175.272 174.700 0.006 0.000 1.041 663 T CA -0.048 62.056 62.100 0.008 0.000 1.010 663 T CB -0.162 68.709 68.868 0.006 0.000 1.003 663 T HN 0.672 nan 8.240 nan 0.000 0.499 664 N N 0.377 119.100 118.700 0.037 0.000 2.371 664 N HA 0.483 5.232 4.740 0.015 0.000 0.280 664 N C -2.091 173.431 175.510 0.020 0.000 1.084 664 N CA -0.332 52.741 53.050 0.038 0.000 0.892 664 N CB 2.941 41.452 38.487 0.040 0.000 1.653 664 N HN 0.008 nan 8.380 nan 0.000 0.480 665 V N 1.644 121.506 119.914 -0.086 0.000 2.443 665 V HA 0.502 4.631 4.120 0.015 0.000 0.293 665 V C 0.391 176.199 176.094 -0.476 0.000 1.021 665 V CA -0.468 61.655 62.300 -0.295 0.000 0.848 665 V CB 1.517 33.125 31.823 -0.358 0.000 0.998 665 V HN 0.858 nan 8.190 nan 0.000 0.424 666 T N 0.795 115.026 114.554 -0.539 0.000 2.870 666 T HA 0.371 4.731 4.350 0.015 0.000 0.277 666 T C 0.551 174.916 174.700 -0.560 0.000 1.000 666 T CA -0.495 61.294 62.100 -0.518 0.000 0.982 666 T CB 1.335 69.728 68.868 -0.793 0.000 1.249 666 T HN 0.596 nan 8.240 nan 0.000 0.589 667 N N -0.778 117.824 118.700 -0.163 0.000 2.295 667 N HA 0.163 4.912 4.740 0.015 0.000 0.221 667 N C 0.017 175.577 175.510 0.084 0.000 1.129 667 N CA -0.631 52.447 53.050 0.045 0.000 0.836 667 N CB -0.592 38.058 38.487 0.271 0.000 1.040 667 N HN 0.707 nan 8.380 nan 0.000 0.494 668 F N -3.877 116.072 119.950 -0.002 0.000 2.859 668 F HA 0.753 5.289 4.527 0.015 0.000 0.324 668 F C 0.392 176.169 175.800 -0.037 0.000 1.158 668 F CA -0.495 57.506 58.000 0.002 0.000 1.147 668 F CB 0.556 39.577 39.000 0.036 0.000 1.137 668 F HN 0.124 nan 8.300 nan 0.000 0.516 669 G N 0.776 109.362 108.800 -0.357 0.000 2.302 669 G HA2 0.528 4.497 3.960 0.015 0.000 0.264 669 G HA3 0.528 4.497 3.960 0.015 0.000 0.264 669 G C -1.940 172.660 174.900 -0.500 0.000 1.335 669 G CA -0.141 44.752 45.100 -0.344 0.000 0.982 669 G HN 1.011 nan 8.290 nan 0.000 0.473 670 A N -0.981 121.557 122.820 -0.470 0.000 2.465 670 A HA 0.758 5.087 4.320 0.015 0.000 0.292 670 A C -1.214 176.154 177.584 -0.360 0.000 1.041 670 A CA -0.568 51.256 52.037 -0.355 0.000 0.718 670 A CB 0.838 19.699 19.000 -0.232 0.000 1.266 670 A HN 1.249 nan 8.150 nan 0.000 0.403 671 F N 1.643 121.502 119.950 -0.153 0.000 2.427 671 F HA 0.527 5.062 4.527 0.014 0.000 0.352 671 F C 0.444 176.195 175.800 -0.083 0.000 1.100 671 F CA -0.168 57.774 58.000 -0.095 0.000 1.191 671 F CB 1.528 40.490 39.000 -0.064 0.000 1.128 671 F HN 0.293 nan 8.300 nan 0.000 0.533 672 V N 1.736 121.693 119.914 0.072 0.000 2.769 672 V HA 0.320 4.449 4.120 0.015 0.000 0.312 672 V C -0.970 175.137 176.094 0.022 0.000 1.061 672 V CA -0.937 61.377 62.300 0.022 0.000 0.931 672 V CB 2.161 33.969 31.823 -0.026 0.000 1.010 672 V HN 0.595 nan 8.190 nan 0.000 0.433 673 D N 2.168 122.570 120.400 0.002 0.000 2.329 673 D HA 0.456 5.105 4.640 0.015 0.000 0.232 673 D C 0.474 176.748 176.300 -0.043 0.000 1.088 673 D CA -0.165 53.824 54.000 -0.017 0.000 0.835 673 D CB 1.235 42.024 40.800 -0.018 0.000 1.078 673 D HN 0.450 nan 8.370 nan 0.000 0.495 674 I N 2.484 123.018 120.570 -0.059 0.000 3.883 674 I HA 0.215 4.395 4.170 0.015 0.000 0.326 674 I C 1.196 177.240 176.117 -0.123 0.000 1.283 674 I CA 0.060 61.313 61.300 -0.077 0.000 1.161 674 I CB 0.015 37.976 38.000 -0.066 0.000 1.012 674 I HN 0.727 nan 8.210 nan 0.000 0.421 675 G N 1.596 110.304 108.800 -0.153 0.000 2.370 675 G HA2 -0.175 3.794 3.960 0.015 0.000 0.268 675 G HA3 -0.175 3.794 3.960 0.015 0.000 0.268 675 G C 0.178 174.865 174.900 -0.356 0.000 1.122 675 G CA 0.126 45.081 45.100 -0.241 0.000 0.963 675 G HN 0.175 nan 8.290 nan 0.000 0.500 676 V N 0.833 120.529 119.914 -0.364 0.000 3.372 676 V HA 0.241 4.370 4.120 0.015 0.000 0.304 676 V C 1.369 177.327 176.094 -0.226 0.000 1.530 676 V CA 0.405 62.525 62.300 -0.301 0.000 1.080 676 V CB -0.463 31.289 31.823 -0.118 0.000 0.929 676 V HN 0.812 nan 8.190 nan 0.000 0.455 677 H N 0.025 119.089 119.070 -0.009 0.000 2.992 677 H HA -0.165 4.399 4.556 0.013 0.000 0.266 677 H C 0.382 175.710 175.328 0.001 0.000 1.200 677 H CA 1.320 57.364 56.048 -0.006 0.000 1.135 677 H CB -1.074 28.684 29.762 -0.007 0.000 1.282 677 H HN 0.650 nan 8.280 nan 0.000 0.351 678 Q N 0.939 120.774 119.800 0.059 0.000 2.309 678 Q HA 0.483 4.832 4.340 0.015 0.000 0.273 678 Q C -1.453 174.572 176.000 0.042 0.000 1.040 678 Q CA -0.627 55.209 55.803 0.055 0.000 0.834 678 Q CB 1.993 30.761 28.738 0.051 0.000 1.345 678 Q HN 0.123 nan 8.270 nan 0.000 0.414 679 D N 0.902 121.342 120.400 0.066 0.000 2.312 679 D HA 0.669 5.318 4.640 0.015 0.000 0.248 679 D C -0.553 175.813 176.300 0.110 0.000 1.086 679 D CA 0.325 54.382 54.000 0.096 0.000 0.948 679 D CB 1.267 42.154 40.800 0.145 0.000 1.162 679 D HN 0.613 nan 8.370 nan 0.000 0.446 680 G N 1.145 109.995 108.800 0.082 0.000 2.415 680 G HA2 0.492 4.461 3.960 0.015 0.000 0.327 680 G HA3 0.492 4.461 3.960 0.015 0.000 0.327 680 G C -0.882 173.986 174.900 -0.053 0.000 1.182 680 G CA -0.583 44.526 45.100 0.015 0.000 0.924 680 G HN 0.480 nan 8.290 nan 0.000 0.470 681 L N 2.085 123.213 121.223 -0.158 0.000 2.375 681 L HA 0.644 4.994 4.340 0.015 0.000 0.271 681 L C -0.589 176.011 176.870 -0.450 0.000 1.107 681 L CA -0.659 53.915 54.840 -0.443 0.000 0.806 681 L CB 1.604 43.424 42.059 -0.398 0.000 1.146 681 L HN 0.218 nan 8.230 nan 0.000 0.447 682 V N 3.699 123.309 119.914 -0.507 0.000 2.445 682 V HA 0.248 4.377 4.120 0.015 0.000 0.283 682 V C -0.476 175.419 176.094 -0.331 0.000 1.014 682 V CA -0.895 61.176 62.300 -0.382 0.000 0.852 682 V CB 0.899 32.579 31.823 -0.238 0.000 1.021 682 V HN 0.631 nan 8.190 nan 0.000 0.435 683 H N 3.676 122.682 119.070 -0.107 0.000 3.064 683 H HA 0.115 4.680 4.556 0.016 0.000 0.329 683 H C 1.466 176.747 175.328 -0.078 0.000 1.020 683 H CA 0.642 56.651 56.048 -0.065 0.000 1.402 683 H CB 1.391 31.138 29.762 -0.024 0.000 1.379 683 H HN 0.693 nan 8.280 nan 0.000 0.594 684 I N 2.414 123.017 120.570 0.055 0.000 2.181 684 I HA -0.394 3.785 4.170 0.015 0.000 0.247 684 I C 2.058 178.159 176.117 -0.027 0.000 1.081 684 I CA 1.872 63.152 61.300 -0.033 0.000 1.340 684 I CB -0.043 37.938 38.000 -0.031 0.000 1.036 684 I HN 0.685 nan 8.210 nan 0.000 0.417 685 S N 1.892 117.610 115.700 0.030 0.000 2.426 685 S HA -0.199 4.280 4.470 0.015 0.000 0.220 685 S C 1.865 176.479 174.600 0.024 0.000 1.040 685 S CA 0.931 59.151 58.200 0.033 0.000 1.094 685 S CB -1.206 62.026 63.200 0.053 0.000 1.072 685 S HN 0.549 nan 8.310 nan 0.000 0.415 686 A N 0.667 123.514 122.820 0.045 0.000 2.305 686 A HA 0.469 4.798 4.320 0.015 0.000 0.236 686 A C 1.487 179.065 177.584 -0.009 0.000 1.392 686 A CA -0.066 51.985 52.037 0.024 0.000 1.205 686 A CB -0.806 18.218 19.000 0.040 0.000 0.881 686 A HN 0.497 nan 8.150 nan 0.000 0.558 687 L N -1.250 119.955 121.223 -0.030 0.000 2.298 687 L HA 0.239 4.588 4.340 0.015 0.000 0.209 687 L C 1.134 177.975 176.870 -0.050 0.000 1.084 687 L CA 1.616 56.420 54.840 -0.059 0.000 0.816 687 L CB -0.036 41.969 42.059 -0.089 0.000 0.967 687 L HN 0.407 nan 8.230 nan 0.000 0.460 688 S N -2.518 113.159 115.700 -0.039 0.000 2.911 688 S HA 0.388 4.867 4.470 0.015 0.000 0.319 688 S C 0.522 175.119 174.600 -0.005 0.000 1.154 688 S CA -0.432 57.752 58.200 -0.027 0.000 0.857 688 S CB 0.819 63.995 63.200 -0.040 0.000 1.279 688 S HN 0.115 nan 8.310 nan 0.000 0.593 689 E N 0.554 120.758 120.200 0.006 0.000 2.290 689 E HA 0.167 4.527 4.350 0.015 0.000 0.199 689 E C -0.168 176.456 176.600 0.041 0.000 0.912 689 E CA 0.468 56.880 56.400 0.021 0.000 0.924 689 E CB 0.065 29.776 29.700 0.018 0.000 0.901 689 E HN 0.635 nan 8.360 nan 0.000 0.487 690 K N 1.000 121.426 120.400 0.043 0.000 2.118 690 K HA 0.252 4.581 4.320 0.015 0.000 0.267 690 K C 0.176 176.833 176.600 0.095 0.000 0.991 690 K CA -0.781 55.555 56.287 0.082 0.000 0.916 690 K CB 1.209 33.752 32.500 0.072 0.000 1.041 690 K HN -0.205 nan 8.250 nan 0.000 0.455 691 F N 2.062 122.017 119.950 0.009 0.000 2.628 691 F HA 0.032 4.568 4.527 0.015 0.000 0.362 691 F C -0.712 175.096 175.800 0.012 0.000 1.148 691 F CA 0.025 58.031 58.000 0.011 0.000 1.352 691 F CB 0.574 39.581 39.000 0.011 0.000 1.081 691 F HN 0.203 nan 8.300 nan 0.000 0.605 692 V N 7.633 126.887 119.914 -1.101 0.000 2.448 692 V HA 0.204 4.333 4.120 0.015 0.000 0.295 692 V C 0.651 176.053 176.094 -1.154 0.000 1.025 692 V CA -0.851 60.934 62.300 -0.859 0.000 0.859 692 V CB 1.365 32.947 31.823 -0.402 0.000 0.988 692 V HN 0.955 nan 8.190 nan 0.000 0.431 693 K N 2.599 122.618 120.400 -0.634 0.000 2.007 693 K HA -0.021 4.309 4.320 0.015 0.000 0.206 693 K C 0.150 176.677 176.600 -0.122 0.000 1.047 693 K CA 1.571 57.710 56.287 -0.245 0.000 0.937 693 K CB 0.322 32.827 32.500 0.009 0.000 0.718 693 K HN 0.956 nan 8.250 nan 0.000 0.438 694 D N -2.275 118.072 120.400 -0.089 0.000 2.977 694 D HA 0.140 4.789 4.640 0.015 0.000 0.220 694 D C -2.426 173.852 176.300 -0.037 0.000 1.267 694 D CA -1.968 52.029 54.000 -0.004 0.000 0.884 694 D CB 1.465 42.338 40.800 0.122 0.000 1.667 694 D HN -0.217 nan 8.370 nan 0.000 0.536 695 P HA -0.176 nan 4.420 nan 0.000 0.217 695 P C 0.933 178.114 177.300 -0.199 0.000 1.148 695 P CA 1.344 64.310 63.100 -0.223 0.000 0.834 695 P CB -0.113 31.364 31.700 -0.373 0.000 0.783 696 Y N -0.129 120.135 120.300 -0.061 0.000 2.315 696 Y HA -0.189 4.371 4.550 0.016 0.000 0.288 696 Y C 2.342 178.219 175.900 -0.037 0.000 1.154 696 Y CA 0.974 59.047 58.100 -0.043 0.000 1.229 696 Y CB -0.704 37.737 38.460 -0.031 0.000 0.980 696 Y HN 0.041 nan 8.280 nan 0.000 0.540 697 E N -0.530 119.728 120.200 0.096 0.000 2.076 697 E HA -0.089 4.271 4.350 0.015 0.000 0.190 697 E C 2.353 178.958 176.600 0.007 0.000 0.979 697 E CA 0.893 57.320 56.400 0.045 0.000 0.807 697 E CB -0.485 29.232 29.700 0.028 0.000 0.761 697 E HN 0.314 nan 8.360 nan 0.000 0.454 698 V N 1.088 120.987 119.914 -0.025 0.000 2.251 698 V HA -0.044 4.085 4.120 0.015 0.000 0.237 698 V C 1.395 177.464 176.094 -0.042 0.000 1.040 698 V CA 0.906 63.182 62.300 -0.041 0.000 1.005 698 V CB -0.034 31.747 31.823 -0.069 0.000 0.645 698 V HN 0.035 nan 8.190 nan 0.000 0.458 699 V N 0.963 120.837 119.914 -0.067 0.000 2.850 699 V HA 0.593 4.722 4.120 0.015 0.000 0.315 699 V C -0.621 175.434 176.094 -0.065 0.000 1.064 699 V CA -0.525 61.735 62.300 -0.066 0.000 0.979 699 V CB 1.711 33.482 31.823 -0.086 0.000 1.039 699 V HN 0.753 nan 8.190 nan 0.000 0.452 700 K N 4.200 124.574 120.400 -0.043 0.000 2.532 700 K HA 0.830 5.159 4.320 0.015 0.000 0.265 700 K C -0.736 175.851 176.600 -0.022 0.000 0.948 700 K CA -0.517 55.755 56.287 -0.025 0.000 0.842 700 K CB 1.880 34.385 32.500 0.007 0.000 1.392 700 K HN 0.955 nan 8.250 nan 0.000 0.436 701 A N 0.766 123.578 122.820 -0.013 0.000 2.567 701 A HA 0.394 4.723 4.320 0.015 0.000 0.240 701 A C 1.312 178.893 177.584 -0.005 0.000 1.053 701 A CA 1.343 53.376 52.037 -0.008 0.000 0.755 701 A CB -1.158 17.843 19.000 0.001 0.000 0.978 701 A HN 1.527 nan 8.150 nan 0.000 0.507 702 G N 2.023 110.818 108.800 -0.008 0.000 2.254 702 G HA2 -0.194 3.775 3.960 0.015 0.000 0.225 702 G HA3 -0.194 3.775 3.960 0.015 0.000 0.225 702 G C 0.047 174.941 174.900 -0.010 0.000 1.003 702 G CA 0.330 45.426 45.100 -0.007 0.000 0.622 702 G HN 0.876 nan 8.290 nan 0.000 0.507 703 D N 0.444 120.836 120.400 -0.013 0.000 2.443 703 D HA 0.497 5.146 4.640 0.015 0.000 0.239 703 D C 0.427 176.717 176.300 -0.017 0.000 1.136 703 D CA 0.188 54.178 54.000 -0.016 0.000 0.879 703 D CB 1.093 41.880 40.800 -0.022 0.000 1.195 703 D HN 0.464 nan 8.370 nan 0.000 0.443 704 I N 2.492 123.052 120.570 -0.015 0.000 2.441 704 I HA 0.526 4.705 4.170 0.015 0.000 0.295 704 I C -0.890 175.217 176.117 -0.015 0.000 0.994 704 I CA -0.560 60.730 61.300 -0.015 0.000 1.144 704 I CB 0.947 38.940 38.000 -0.012 0.000 1.314 704 I HN 0.206 nan 8.210 nan 0.000 0.445 705 V N 3.160 123.064 119.914 -0.017 0.000 3.216 705 V HA 0.570 4.699 4.120 0.015 0.000 0.302 705 V C -1.360 174.728 176.094 -0.010 0.000 1.286 705 V CA -1.132 61.159 62.300 -0.015 0.000 1.048 705 V CB 1.899 33.707 31.823 -0.024 0.000 1.081 705 V HN 0.694 nan 8.190 nan 0.000 0.442 706 K N 1.897 122.294 120.400 -0.005 0.000 2.211 706 K HA 0.801 5.130 4.320 0.015 0.000 0.275 706 K C -0.588 176.012 176.600 -0.001 0.000 1.024 706 K CA -0.582 55.708 56.287 0.005 0.000 0.887 706 K CB 1.850 34.357 32.500 0.012 0.000 1.084 706 K HN 1.070 nan 8.250 nan 0.000 0.463 707 V N -0.793 119.123 119.914 0.003 0.000 3.007 707 V HA 0.528 4.658 4.120 0.015 0.000 0.311 707 V C -1.085 175.013 176.094 0.007 0.000 1.120 707 V CA -1.152 61.145 62.300 -0.005 0.000 0.980 707 V CB 1.898 33.708 31.823 -0.021 0.000 1.033 707 V HN 0.771 nan 8.190 nan 0.000 0.429 708 K N 2.543 122.944 120.400 0.002 0.000 2.367 708 K HA 0.604 4.933 4.320 0.015 0.000 0.263 708 K C -0.653 175.950 176.600 0.005 0.000 1.000 708 K CA -0.721 55.571 56.287 0.009 0.000 0.891 708 K CB 1.761 34.266 32.500 0.008 0.000 1.117 708 K HN 0.971 nan 8.250 nan 0.000 0.443 709 V N 7.616 127.538 119.914 0.013 0.000 2.442 709 V HA -0.046 4.084 4.120 0.015 0.000 0.272 709 V C 0.863 176.962 176.094 0.009 0.000 0.989 709 V CA 0.391 62.697 62.300 0.009 0.000 1.123 709 V CB -0.029 31.806 31.823 0.020 0.000 1.008 709 V HN 0.966 nan 8.190 nan 0.000 0.469 710 M N 5.009 124.611 119.600 0.002 0.000 2.447 710 M HA 0.217 4.707 4.480 0.015 0.000 0.264 710 M C 0.665 176.973 176.300 0.012 0.000 1.095 710 M CA 0.764 56.069 55.300 0.008 0.000 1.125 710 M CB -0.503 32.101 32.600 0.007 0.000 1.389 710 M HN 0.969 nan 8.290 nan 0.000 0.459 711 E N -0.803 119.404 120.200 0.010 0.000 2.431 711 E HA 0.413 4.772 4.350 0.015 0.000 0.287 711 E C -1.760 174.849 176.600 0.014 0.000 1.032 711 E CA -0.695 55.714 56.400 0.015 0.000 0.839 711 E CB 1.525 31.237 29.700 0.019 0.000 1.218 711 E HN -0.119 nan 8.360 nan 0.000 0.424 712 V N 2.015 121.939 119.914 0.016 0.000 2.444 712 V HA 0.387 4.517 4.120 0.015 0.000 0.294 712 V C -1.071 175.034 176.094 0.019 0.000 1.022 712 V CA -0.647 61.664 62.300 0.017 0.000 0.850 712 V CB 1.596 33.430 31.823 0.018 0.000 0.992 712 V HN 0.783 nan 8.190 nan 0.000 0.426 713 D N 3.947 124.359 120.400 0.020 0.000 2.477 713 D HA 0.417 5.066 4.640 0.015 0.000 0.239 713 D C 1.049 177.362 176.300 0.021 0.000 1.102 713 D CA -0.420 53.592 54.000 0.021 0.000 0.901 713 D CB 0.880 41.694 40.800 0.023 0.000 1.026 713 D HN 0.268 nan 8.370 nan 0.000 0.515 714 I N 3.708 124.289 120.570 0.020 0.000 2.286 714 I HA -0.115 4.065 4.170 0.015 0.000 0.248 714 I C -0.658 175.470 176.117 0.020 0.000 1.115 714 I CA 0.918 62.230 61.300 0.020 0.000 1.392 714 I CB -1.775 36.237 38.000 0.019 0.000 1.065 714 I HN 0.396 nan 8.210 nan 0.000 0.418 715 P HA -0.047 nan 4.420 nan 0.000 0.216 715 P C 1.688 179.000 177.300 0.019 0.000 1.153 715 P CA 1.005 64.115 63.100 0.017 0.000 0.844 715 P CB 0.025 31.735 31.700 0.016 0.000 0.787 716 R N -1.401 119.112 120.500 0.021 0.000 2.200 716 R HA 0.064 4.413 4.340 0.015 0.000 0.208 716 R C 0.503 176.820 176.300 0.028 0.000 1.033 716 R CA 0.266 56.381 56.100 0.024 0.000 1.000 716 R CB -1.225 29.091 30.300 0.027 0.000 0.906 716 R HN 0.227 nan 8.270 nan 0.000 0.462 717 N N 1.191 119.907 118.700 0.028 0.000 2.806 717 N HA -0.159 4.591 4.740 0.015 0.000 0.248 717 N C -1.095 174.437 175.510 0.036 0.000 1.081 717 N CA 0.484 53.553 53.050 0.031 0.000 0.680 717 N CB -0.291 38.215 38.487 0.032 0.000 0.941 717 N HN 0.236 nan 8.380 nan 0.000 0.554 718 R N -0.497 120.023 120.500 0.034 0.000 2.873 718 R HA 0.749 5.098 4.340 0.015 0.000 0.264 718 R C -0.347 175.968 176.300 0.026 0.000 1.026 718 R CA -0.831 55.291 56.100 0.036 0.000 1.002 718 R CB 1.942 32.266 30.300 0.039 0.000 1.174 718 R HN -0.006 nan 8.270 nan 0.000 0.488 719 V N 0.249 120.175 119.914 0.021 0.000 2.569 719 V HA 0.413 4.543 4.120 0.015 0.000 0.301 719 V C 0.103 176.188 176.094 -0.015 0.000 1.044 719 V CA -1.038 61.266 62.300 0.005 0.000 0.874 719 V CB 1.904 33.728 31.823 0.002 0.000 1.002 719 V HN 0.952 nan 8.190 nan 0.000 0.424 720 G N 4.563 113.354 108.800 -0.015 0.000 2.338 720 G HA2 0.737 4.707 3.960 0.015 0.000 0.298 720 G HA3 0.737 4.707 3.960 0.015 0.000 0.298 720 G C -0.896 173.977 174.900 -0.046 0.000 1.140 720 G CA -0.288 44.791 45.100 -0.036 0.000 0.860 720 G HN 0.572 nan 8.290 nan 0.000 0.470 721 L N 0.726 121.899 121.223 -0.085 0.000 2.322 721 L HA 0.841 5.191 4.340 0.015 0.000 0.252 721 L C -0.094 176.731 176.870 -0.076 0.000 1.055 721 L CA -1.097 53.701 54.840 -0.069 0.000 0.849 721 L CB 2.498 44.512 42.059 -0.075 0.000 1.446 721 L HN 0.607 nan 8.230 nan 0.000 0.416 722 S N -0.196 115.474 115.700 -0.051 0.000 2.542 722 S HA 0.449 4.929 4.470 0.015 0.000 0.276 722 S C -0.485 174.096 174.600 -0.032 0.000 1.148 722 S CA -0.533 57.642 58.200 -0.041 0.000 0.886 722 S CB 1.663 64.853 63.200 -0.017 0.000 1.109 722 S HN 0.665 nan 8.310 nan 0.000 0.458 723 M N 3.198 122.777 119.600 -0.035 0.000 2.505 723 M HA 0.225 4.714 4.480 0.015 0.000 0.230 723 M C 0.476 176.767 176.300 -0.015 0.000 1.153 723 M CA 0.087 55.371 55.300 -0.028 0.000 0.997 723 M CB -0.070 32.506 32.600 -0.039 0.000 1.606 723 M HN 0.552 nan 8.290 nan 0.000 0.481 724 R N -1.289 119.206 120.500 -0.009 0.000 2.480 724 R HA 0.477 4.826 4.340 0.015 0.000 0.306 724 R C -0.307 175.996 176.300 0.005 0.000 0.958 724 R CA -0.605 55.495 56.100 0.000 0.000 0.861 724 R CB 0.931 31.232 30.300 0.002 0.000 1.171 724 R HN 0.005 nan 8.270 nan 0.000 0.445 725 M N 1.768 121.374 119.600 0.010 0.000 2.561 725 M HA 0.115 4.604 4.480 0.015 0.000 0.238 725 M C 1.148 177.458 176.300 0.017 0.000 1.131 725 M CA 0.786 56.095 55.300 0.015 0.000 1.046 725 M CB 0.182 32.794 32.600 0.021 0.000 1.532 725 M HN 0.775 nan 8.290 nan 0.000 0.497 726 S N 0.662 116.369 115.700 0.012 0.000 2.349 726 S HA -0.102 4.377 4.470 0.015 0.000 0.216 726 S C 0.763 175.368 174.600 0.007 0.000 1.033 726 S CA 1.325 59.529 58.200 0.006 0.000 1.021 726 S CB -0.738 62.464 63.200 0.003 0.000 0.968 726 S HN 0.610 nan 8.310 nan 0.000 0.426 727 D N 1.820 122.225 120.400 0.009 0.000 2.363 727 D HA 0.254 4.903 4.640 0.015 0.000 0.240 727 D C 0.258 176.566 176.300 0.013 0.000 1.236 727 D CA -0.094 53.912 54.000 0.011 0.000 0.927 727 D CB 0.061 40.869 40.800 0.014 0.000 1.150 727 D HN 0.387 nan 8.370 nan 0.000 0.458 728 T N -5.351 109.211 114.554 0.013 0.000 2.924 728 T HA 0.482 4.841 4.350 0.015 0.000 0.291 728 T C -1.900 172.808 174.700 0.014 0.000 1.045 728 T CA -1.606 60.502 62.100 0.014 0.000 1.015 728 T CB 1.928 70.805 68.868 0.014 0.000 1.103 728 T HN 0.279 nan 8.240 nan 0.000 0.496 729 P HA 0.097 nan 4.420 nan 0.000 0.239 729 P C 1.125 178.433 177.300 0.013 0.000 1.184 729 P CA 0.108 63.217 63.100 0.014 0.000 0.760 729 P CB -0.715 30.993 31.700 0.013 0.000 0.884 730 G N 0.000 108.807 108.800 0.012 0.000 5.446 730 G HA2 0.000 3.969 3.960 0.015 0.000 0.244 730 G HA3 0.000 3.969 3.960 0.015 0.000 0.244 730 G CA 0.000 45.105 45.100 0.009 0.000 0.502 730 G HN 0.000 nan 8.290 nan 0.000 0.925