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 1bxr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPSYVL GGRAMEIVYD EADLRRYFQT AVSVSNDAPV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.256 176.300 -0.073 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 1 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 2 P HA 0.368 nan 4.420 nan 0.000 0.341 2 P C -1.302 175.761 177.300 -0.395 0.000 1.368 2 P CA -0.517 62.447 63.100 -0.225 0.000 0.835 2 P CB -0.026 31.576 31.700 -0.164 0.000 2.010 3 K N 0.366 120.369 120.400 -0.662 0.000 2.485 3 K HA 0.062 4.382 4.320 0.001 0.000 0.277 3 K C 0.123 176.643 176.600 -0.133 0.000 0.990 3 K CA 0.026 55.992 56.287 -0.536 0.000 0.994 3 K CB 0.404 32.683 32.500 -0.369 0.000 0.906 3 K HN 0.108 nan 8.250 nan 0.000 0.488 4 R N 1.515 122.017 120.500 0.004 0.000 2.590 4 R HA -0.032 4.308 4.340 0.001 0.000 0.274 4 R C 1.000 177.351 176.300 0.085 0.000 1.061 4 R CA 0.323 56.452 56.100 0.048 0.000 1.081 4 R CB 0.857 31.194 30.300 0.061 0.000 0.984 4 R HN 0.913 nan 8.270 nan 0.000 0.448 5 T N 0.216 114.793 114.554 0.040 0.000 2.983 5 T HA -0.084 4.266 4.350 0.001 0.000 0.250 5 T C 1.113 175.841 174.700 0.046 0.000 1.037 5 T CA 1.069 63.186 62.100 0.028 0.000 1.142 5 T CB 0.005 68.876 68.868 0.005 0.000 0.876 5 T HN 0.759 nan 8.240 nan 0.000 0.455 6 D N 0.658 121.086 120.400 0.047 0.000 2.392 6 D HA -0.004 4.636 4.640 0.001 0.000 0.228 6 D C 0.303 176.646 176.300 0.071 0.000 1.003 6 D CA 0.280 54.309 54.000 0.048 0.000 0.917 6 D CB -0.246 40.575 40.800 0.035 0.000 0.890 6 D HN 0.452 nan 8.370 nan 0.000 0.532 7 I N -0.066 120.572 120.570 0.114 0.000 2.447 7 I HA 0.229 4.400 4.170 0.001 0.000 0.287 7 I C 0.805 177.083 176.117 0.268 0.000 1.023 7 I CA -0.685 60.712 61.300 0.161 0.000 1.083 7 I CB 2.270 40.349 38.000 0.131 0.000 1.245 7 I HN -0.333 nan 8.210 nan 0.000 0.434 8 K N 2.405 122.928 120.400 0.205 0.000 2.380 8 K HA 0.199 4.520 4.320 0.001 0.000 0.200 8 K C 0.494 177.244 176.600 0.250 0.000 1.201 8 K CA 0.098 56.500 56.287 0.193 0.000 0.916 8 K CB 0.556 33.102 32.500 0.077 0.000 1.187 8 K HN 0.592 nan 8.250 nan 0.000 0.498 9 S N 1.280 117.078 115.700 0.164 0.000 2.454 9 S HA 0.630 5.100 4.470 0.001 0.000 0.306 9 S C -0.462 174.190 174.600 0.086 0.000 1.100 9 S CA -0.805 57.468 58.200 0.122 0.000 1.087 9 S CB 0.758 64.003 63.200 0.076 0.000 1.019 9 S HN 0.106 nan 8.310 nan 0.000 0.480 10 I N 3.156 123.765 120.570 0.065 0.000 2.498 10 I HA 0.429 4.600 4.170 0.001 0.000 0.290 10 I C -1.041 175.079 176.117 0.005 0.000 1.032 10 I CA -0.795 60.512 61.300 0.012 0.000 1.073 10 I CB 2.084 40.059 38.000 -0.041 0.000 1.251 10 I HN 0.648 nan 8.210 nan 0.000 0.426 11 L N 7.927 129.143 121.223 -0.012 0.000 2.262 11 L HA 0.583 4.924 4.340 0.001 0.000 0.288 11 L C -0.796 176.061 176.870 -0.022 0.000 1.035 11 L CA 0.064 54.891 54.840 -0.022 0.000 0.820 11 L CB 0.453 42.484 42.059 -0.047 0.000 1.204 11 L HN 0.397 nan 8.230 nan 0.000 0.424 12 I N 6.165 126.727 120.570 -0.013 0.000 2.315 12 I HA 0.238 4.409 4.170 0.001 0.000 0.291 12 I C -0.341 175.769 176.117 -0.012 0.000 1.006 12 I CA -0.560 60.733 61.300 -0.012 0.000 1.265 12 I CB 1.196 39.193 38.000 -0.004 0.000 1.387 12 I HN 0.444 nan 8.210 nan 0.000 0.475 13 L N 6.505 127.716 121.223 -0.020 0.000 2.325 13 L HA 0.330 4.671 4.340 0.001 0.000 0.284 13 L C 1.022 177.877 176.870 -0.025 0.000 1.089 13 L CA -0.215 54.609 54.840 -0.026 0.000 0.836 13 L CB 0.526 42.564 42.059 -0.035 0.000 1.184 13 L HN 0.698 nan 8.230 nan 0.000 0.444 14 G N 2.006 110.798 108.800 -0.013 0.000 2.621 14 G HA2 0.382 4.343 3.960 0.001 0.000 0.271 14 G HA3 0.382 4.343 3.960 0.001 0.000 0.271 14 G C 0.615 175.496 174.900 -0.032 0.000 1.236 14 G CA 0.158 45.256 45.100 -0.003 0.000 0.958 14 G HN 0.750 nan 8.290 nan 0.000 0.512 15 A N -1.222 121.588 122.820 -0.016 0.000 2.348 15 A HA 0.615 4.936 4.320 0.001 0.000 0.224 15 A C 1.391 178.962 177.584 -0.022 0.000 1.227 15 A CA 1.194 53.193 52.037 -0.063 0.000 0.885 15 A CB -0.754 18.198 19.000 -0.079 0.000 0.933 15 A HN 2.508 nan 8.150 nan 0.000 0.506 16 G N -0.001 108.799 108.800 -0.001 0.000 2.681 16 G HA2 -0.108 3.853 3.960 0.001 0.000 0.220 16 G HA3 -0.108 3.853 3.960 0.001 0.000 0.220 16 G C -2.962 171.941 174.900 0.005 0.000 1.353 16 G CA -0.456 44.642 45.100 -0.004 0.000 0.872 16 G HN 0.310 nan 8.290 nan 0.000 0.557 17 P HA 0.368 nan 4.420 nan 0.000 0.266 17 P C 0.238 177.537 177.300 -0.002 0.000 1.195 17 P CA -0.294 62.796 63.100 -0.018 0.000 0.768 17 P CB 0.339 32.016 31.700 -0.038 0.000 0.838 18 I N 3.285 123.854 120.570 -0.001 0.000 2.598 18 I HA 0.036 4.207 4.170 0.001 0.000 0.284 18 I C 0.866 176.975 176.117 -0.014 0.000 1.140 18 I CA -0.151 61.156 61.300 0.011 0.000 1.420 18 I CB -0.303 37.699 38.000 0.003 0.000 1.387 18 I HN 0.168 nan 8.210 nan 0.000 0.553 19 V N 5.188 125.095 119.914 -0.012 0.000 3.141 19 V HA 0.590 4.711 4.120 0.001 0.000 0.312 19 V C 0.074 176.131 176.094 -0.061 0.000 1.157 19 V CA -1.242 61.030 62.300 -0.047 0.000 1.041 19 V CB 1.841 33.632 31.823 -0.054 0.000 1.071 19 V HN 0.414 nan 8.190 nan 0.000 0.441 20 I N 2.272 122.777 120.570 -0.109 0.000 2.683 20 I HA 0.420 4.591 4.170 0.001 0.000 0.286 20 I C 1.543 177.590 176.117 -0.117 0.000 1.175 20 I CA 1.957 63.178 61.300 -0.132 0.000 1.429 20 I CB 0.592 38.468 38.000 -0.206 0.000 1.371 20 I HN 1.247 nan 8.210 nan 0.000 0.569 21 G N 4.662 113.400 108.800 -0.103 0.000 2.217 21 G HA2 -0.295 3.666 3.960 0.001 0.000 0.246 21 G HA3 -0.295 3.666 3.960 0.001 0.000 0.246 21 G C 0.334 175.246 174.900 0.019 0.000 0.990 21 G CA 0.132 45.179 45.100 -0.087 0.000 0.627 21 G HN 0.612 nan 8.290 nan 0.000 0.522 22 Q N 0.086 119.918 119.800 0.053 0.000 3.255 22 Q HA 0.671 5.012 4.340 0.001 0.000 0.231 22 Q C 0.138 176.247 176.000 0.181 0.000 0.935 22 Q CA 0.412 56.335 55.803 0.199 0.000 0.714 22 Q CB 0.622 29.439 28.738 0.132 0.000 1.345 22 Q HN 0.866 nan 8.270 nan 0.000 0.463 23 A N 0.003 122.894 122.820 0.118 0.000 3.521 23 A HA 0.376 4.697 4.320 0.001 0.000 0.181 23 A C 1.138 178.726 177.584 0.007 0.000 1.386 23 A CA -0.214 51.849 52.037 0.043 0.000 0.873 23 A CB -0.280 18.705 19.000 -0.025 0.000 1.634 23 A HN 0.786 nan 8.150 nan 0.000 0.551 24 C N 1.114 120.399 119.300 -0.025 0.000 2.395 24 C HA -0.148 4.313 4.460 0.001 0.000 0.287 24 C C 2.459 177.403 174.990 -0.077 0.000 1.281 24 C CA 1.157 60.164 59.018 -0.018 0.000 1.818 24 C CB -1.608 26.131 27.740 -0.002 0.000 1.990 24 C HN 0.820 nan 8.230 nan 0.000 0.516 25 E N 1.554 121.587 120.200 -0.278 0.000 2.114 25 E HA -0.243 4.108 4.350 0.001 0.000 0.199 25 E C 1.614 177.958 176.600 -0.426 0.000 1.008 25 E CA 1.696 57.823 56.400 -0.454 0.000 0.810 25 E CB -0.850 28.390 29.700 -0.767 0.000 0.739 25 E HN 0.671 nan 8.360 nan 0.000 0.456 26 F N 1.793 121.798 119.950 0.091 0.000 2.234 26 F HA 0.003 4.530 4.527 0.001 0.000 0.296 26 F C 2.275 178.111 175.800 0.061 0.000 1.089 26 F CA 0.973 59.014 58.000 0.068 0.000 1.343 26 F CB -0.799 38.223 39.000 0.037 0.000 1.040 26 F HN 0.052 nan 8.300 nan 0.000 0.498 27 D N -0.530 119.988 120.400 0.198 0.000 2.123 27 D HA -0.303 4.337 4.640 0.001 0.000 0.196 27 D C 2.194 178.566 176.300 0.120 0.000 0.992 27 D CA 1.329 55.414 54.000 0.141 0.000 0.833 27 D CB -0.449 40.421 40.800 0.117 0.000 0.954 27 D HN 0.347 nan 8.370 nan 0.000 0.455 28 Y N 0.637 120.946 120.300 0.015 0.000 2.181 28 Y HA -0.173 4.378 4.550 0.001 0.000 0.288 28 Y C 2.329 178.239 175.900 0.016 0.000 1.146 28 Y CA 1.993 60.092 58.100 -0.002 0.000 1.164 28 Y CB -0.454 37.989 38.460 -0.028 0.000 0.982 28 Y HN -0.046 nan 8.280 nan 0.000 0.515 29 S N 0.309 115.990 115.700 -0.032 0.000 2.344 29 S HA -0.127 4.344 4.470 0.001 0.000 0.217 29 S C 2.260 176.832 174.600 -0.048 0.000 1.033 29 S CA 1.237 59.413 58.200 -0.041 0.000 1.017 29 S CB -1.338 61.976 63.200 0.191 0.000 0.941 29 S HN 0.752 nan 8.310 nan 0.000 0.430 30 G N 1.769 110.601 108.800 0.053 0.000 2.631 30 G HA2 -0.270 3.691 3.960 0.001 0.000 0.219 30 G HA3 -0.270 3.691 3.960 0.001 0.000 0.219 30 G C 1.583 176.468 174.900 -0.024 0.000 1.214 30 G CA 1.386 46.505 45.100 0.032 0.000 0.785 30 G HN 0.628 nan 8.290 nan 0.000 0.596 31 A N -0.432 122.363 122.820 -0.041 0.000 2.024 31 A HA -0.095 4.226 4.320 0.001 0.000 0.220 31 A C 2.352 179.862 177.584 -0.123 0.000 1.164 31 A CA 2.033 54.033 52.037 -0.062 0.000 0.643 31 A CB -0.327 18.649 19.000 -0.040 0.000 0.806 31 A HN 0.506 nan 8.150 nan 0.000 0.451 32 Q N -0.933 118.738 119.800 -0.215 0.000 2.049 32 Q HA -0.079 4.262 4.340 0.001 0.000 0.198 32 Q C 2.573 178.494 176.000 -0.131 0.000 0.971 32 Q CA 1.242 56.900 55.803 -0.242 0.000 0.833 32 Q CB -0.356 28.149 28.738 -0.389 0.000 0.896 32 Q HN 0.677 nan 8.270 nan 0.000 0.434 33 A N 0.743 123.506 122.820 -0.096 0.000 1.865 33 A HA -0.230 4.091 4.320 0.001 0.000 0.217 33 A C 2.479 180.037 177.584 -0.043 0.000 1.191 33 A CA 1.640 53.643 52.037 -0.057 0.000 0.623 33 A CB -1.194 17.785 19.000 -0.036 0.000 0.826 33 A HN 0.503 nan 8.150 nan 0.000 0.444 34 C N -0.841 118.440 119.300 -0.033 0.000 2.401 34 C HA -0.137 4.323 4.460 0.001 0.000 0.276 34 C C 2.746 177.732 174.990 -0.007 0.000 1.233 34 C CA 1.649 60.660 59.018 -0.011 0.000 1.753 34 C CB -1.079 26.660 27.740 -0.002 0.000 2.029 34 C HN 0.765 nan 8.230 nan 0.000 0.478 35 K N 0.784 121.168 120.400 -0.027 0.000 2.167 35 K HA 0.018 4.339 4.320 0.001 0.000 0.203 35 K C 2.062 178.651 176.600 -0.018 0.000 1.052 35 K CA 1.218 57.491 56.287 -0.023 0.000 0.956 35 K CB -0.251 32.221 32.500 -0.047 0.000 0.735 35 K HN 0.382 nan 8.250 nan 0.000 0.451 36 A N 1.181 123.980 122.820 -0.035 0.000 1.877 36 A HA -0.101 4.219 4.320 0.001 0.000 0.216 36 A C 2.069 179.652 177.584 -0.002 0.000 1.186 36 A CA 1.324 53.337 52.037 -0.041 0.000 0.620 36 A CB -0.634 18.327 19.000 -0.064 0.000 0.822 36 A HN 0.293 nan 8.150 nan 0.000 0.443 37 L N -1.554 119.680 121.223 0.017 0.000 2.005 37 L HA -0.126 4.214 4.340 0.001 0.000 0.207 37 L C 2.817 179.820 176.870 0.222 0.000 1.072 37 L CA 1.621 56.517 54.840 0.093 0.000 0.744 37 L CB -0.566 41.490 42.059 -0.005 0.000 0.895 37 L HN 0.361 nan 8.230 nan 0.000 0.433 38 R N 0.285 120.861 120.500 0.127 0.000 2.117 38 R HA -0.203 4.137 4.340 0.001 0.000 0.243 38 R C 2.126 178.480 176.300 0.088 0.000 1.143 38 R CA 1.579 57.745 56.100 0.109 0.000 0.968 38 R CB -0.098 30.239 30.300 0.062 0.000 0.863 38 R HN 0.392 nan 8.270 nan 0.000 0.444 39 E N -0.288 119.951 120.200 0.065 0.000 2.338 39 E HA -0.134 4.216 4.350 0.001 0.000 0.197 39 E C 0.496 177.134 176.600 0.062 0.000 1.007 39 E CA 0.576 57.001 56.400 0.042 0.000 0.849 39 E CB 0.240 29.947 29.700 0.012 0.000 0.774 39 E HN 0.273 nan 8.360 nan 0.000 0.506 40 E N -0.199 120.082 120.200 0.135 0.000 2.496 40 E HA 0.111 4.461 4.350 0.001 0.000 0.202 40 E C 0.254 176.918 176.600 0.108 0.000 1.021 40 E CA -0.103 56.426 56.400 0.215 0.000 1.015 40 E CB 0.627 30.566 29.700 0.399 0.000 1.102 40 E HN 0.257 nan 8.360 nan 0.000 0.452 41 G N 1.677 110.488 108.800 0.017 0.000 2.359 41 G HA2 -0.299 3.661 3.960 0.001 0.000 0.298 41 G HA3 -0.299 3.661 3.960 0.001 0.000 0.298 41 G C -0.626 174.086 174.900 -0.312 0.000 1.030 41 G CA 0.359 45.382 45.100 -0.129 0.000 1.149 41 G HN 0.219 nan 8.290 nan 0.000 0.512 42 Y N -1.329 118.995 120.300 0.041 0.000 2.477 42 Y HA 0.553 5.103 4.550 0.001 0.000 0.347 42 Y C 0.637 176.555 175.900 0.030 0.000 0.981 42 Y CA -1.231 56.893 58.100 0.040 0.000 1.033 42 Y CB 1.547 40.035 38.460 0.048 0.000 1.245 42 Y HN 0.283 nan 8.280 nan 0.000 0.455 43 R N 2.164 122.790 120.500 0.210 0.000 2.370 43 R HA 0.469 4.809 4.340 0.001 0.000 0.309 43 R C -1.445 174.931 176.300 0.128 0.000 1.059 43 R CA -0.141 56.038 56.100 0.131 0.000 0.981 43 R CB 0.256 30.612 30.300 0.093 0.000 0.972 43 R HN 0.499 nan 8.270 nan 0.000 0.437 44 V N 7.347 127.319 119.914 0.098 0.000 2.370 44 V HA 0.372 4.493 4.120 0.001 0.000 0.283 44 V C 0.077 176.210 176.094 0.065 0.000 1.023 44 V CA -0.571 61.773 62.300 0.073 0.000 0.857 44 V CB 1.533 33.393 31.823 0.061 0.000 0.985 44 V HN 0.654 nan 8.190 nan 0.000 0.443 45 I N 6.603 127.207 120.570 0.057 0.000 2.433 45 I HA 0.649 4.819 4.170 0.001 0.000 0.292 45 I C -0.590 175.563 176.117 0.059 0.000 1.001 45 I CA -0.635 60.711 61.300 0.076 0.000 1.119 45 I CB 1.758 39.789 38.000 0.052 0.000 1.289 45 I HN 0.566 nan 8.210 nan 0.000 0.438 46 L N 5.380 126.658 121.223 0.092 0.000 2.409 46 L HA 0.885 5.226 4.340 0.001 0.000 0.262 46 L C -1.278 175.647 176.870 0.092 0.000 0.992 46 L CA -0.894 53.983 54.840 0.060 0.000 0.817 46 L CB 2.090 44.176 42.059 0.044 0.000 1.350 46 L HN 0.368 nan 8.230 nan 0.000 0.411 47 V N 2.420 122.363 119.914 0.047 0.000 2.459 47 V HA 0.737 4.857 4.120 0.001 0.000 0.295 47 V C -1.318 174.798 176.094 0.036 0.000 1.029 47 V CA 0.085 62.420 62.300 0.059 0.000 0.874 47 V CB 1.617 33.442 31.823 0.002 0.000 0.985 47 V HN 0.972 nan 8.190 nan 0.000 0.438 48 N N 3.064 121.788 118.700 0.041 0.000 2.537 48 N HA 0.275 5.016 4.740 0.001 0.000 0.281 48 N C 0.413 175.930 175.510 0.013 0.000 1.097 48 N CA 0.217 53.281 53.050 0.023 0.000 0.964 48 N CB 2.391 40.895 38.487 0.028 0.000 1.588 48 N HN 0.668 nan 8.380 nan 0.000 0.511 49 S N 1.518 117.218 115.700 0.000 0.000 2.453 49 S HA -0.048 4.422 4.470 0.001 0.000 0.231 49 S C 0.805 175.397 174.600 -0.013 0.000 1.005 49 S CA 0.230 58.423 58.200 -0.012 0.000 0.949 49 S CB -0.284 62.900 63.200 -0.026 0.000 0.774 49 S HN 0.614 nan 8.310 nan 0.000 0.510 50 N N 3.565 122.260 118.700 -0.009 0.000 2.431 50 N HA 0.194 4.935 4.740 0.001 0.000 0.265 50 N C -1.742 173.757 175.510 -0.020 0.000 1.184 50 N CA -2.138 50.902 53.050 -0.017 0.000 0.943 50 N CB 1.143 39.623 38.487 -0.011 0.000 1.080 50 N HN 0.031 nan 8.380 nan 0.000 0.477 51 P HA 0.030 nan 4.420 nan 0.000 0.224 51 P C 0.457 177.664 177.300 -0.154 0.000 1.157 51 P CA 0.574 63.656 63.100 -0.030 0.000 0.799 51 P CB 0.135 31.883 31.700 0.080 0.000 0.809 52 A N -0.037 122.670 122.820 -0.189 0.000 2.235 52 A HA 0.068 4.389 4.320 0.001 0.000 0.208 52 A C 1.116 178.552 177.584 -0.247 0.000 1.172 52 A CA 0.709 52.535 52.037 -0.353 0.000 0.786 52 A CB -1.499 17.346 19.000 -0.258 0.000 0.804 52 A HN 0.342 nan 8.150 nan 0.000 0.479 53 T N -3.238 111.274 114.554 -0.069 0.000 2.899 53 T HA 0.466 4.817 4.350 0.001 0.000 0.284 53 T C 1.136 175.969 174.700 0.222 0.000 1.004 53 T CA -0.690 61.455 62.100 0.076 0.000 1.043 53 T CB 0.894 69.803 68.868 0.068 0.000 1.013 53 T HN -0.025 nan 8.240 nan 0.000 0.518 54 I N 1.574 122.299 120.570 0.258 0.000 2.333 54 I HA -0.093 4.078 4.170 0.001 0.000 0.246 54 I C 2.597 178.804 176.117 0.151 0.000 1.106 54 I CA 1.465 62.901 61.300 0.227 0.000 1.411 54 I CB -0.894 37.174 38.000 0.113 0.000 1.082 54 I HN 0.907 nan 8.210 nan 0.000 0.420 55 M N 0.614 120.277 119.600 0.105 0.000 2.192 55 M HA -0.203 4.278 4.480 0.001 0.000 0.259 55 M C 1.524 177.867 176.300 0.070 0.000 1.071 55 M CA 2.430 57.772 55.300 0.071 0.000 1.082 55 M CB -1.305 31.327 32.600 0.054 0.000 1.373 55 M HN 0.240 nan 8.290 nan 0.000 0.408 56 T N -2.035 112.569 114.554 0.083 0.000 3.317 56 T HA 0.153 4.503 4.350 0.001 0.000 0.250 56 T C -0.161 174.589 174.700 0.083 0.000 1.106 56 T CA -0.354 61.783 62.100 0.060 0.000 0.986 56 T CB -0.760 68.129 68.868 0.035 0.000 1.010 56 T HN 0.272 nan 8.240 nan 0.000 0.560 57 D N 3.356 123.829 120.400 0.122 0.000 2.348 57 D HA 0.202 4.843 4.640 0.001 0.000 0.253 57 D C -1.194 175.149 176.300 0.073 0.000 1.161 57 D CA -2.236 51.851 54.000 0.144 0.000 0.876 57 D CB 1.813 42.719 40.800 0.176 0.000 1.160 57 D HN 0.064 nan 8.370 nan 0.000 0.459 58 P HA -0.186 nan 4.420 nan 0.000 0.217 58 P C 0.802 178.111 177.300 0.015 0.000 1.148 58 P CA 1.116 64.215 63.100 -0.001 0.000 0.828 58 P CB 0.135 31.835 31.700 -0.000 0.000 0.783 59 E N -1.582 118.640 120.200 0.036 0.000 2.445 59 E HA 0.013 4.364 4.350 0.001 0.000 0.189 59 E C 1.164 177.775 176.600 0.018 0.000 1.069 59 E CA 0.150 56.562 56.400 0.021 0.000 0.871 59 E CB -0.292 29.413 29.700 0.009 0.000 0.991 59 E HN 0.105 nan 8.360 nan 0.000 0.481 60 M N 0.852 120.468 119.600 0.026 0.000 2.545 60 M HA 0.324 4.805 4.480 0.001 0.000 0.264 60 M C 0.768 177.082 176.300 0.023 0.000 1.155 60 M CA 0.228 55.543 55.300 0.025 0.000 1.162 60 M CB 0.373 32.996 32.600 0.037 0.000 1.330 60 M HN 0.199 nan 8.290 nan 0.000 0.479 61 A N -0.720 122.114 122.820 0.022 0.000 2.515 61 A HA 0.549 4.870 4.320 0.001 0.000 0.296 61 A C -0.087 177.510 177.584 0.022 0.000 1.094 61 A CA -0.596 51.457 52.037 0.027 0.000 0.718 61 A CB 0.588 19.608 19.000 0.033 0.000 1.307 61 A HN 0.237 nan 8.150 nan 0.000 0.408 62 D N 0.729 121.149 120.400 0.033 0.000 2.144 62 D HA 0.260 4.901 4.640 0.001 0.000 0.199 62 D C 0.736 177.049 176.300 0.022 0.000 0.984 62 D CA 2.124 56.142 54.000 0.030 0.000 0.834 62 D CB 0.045 40.870 40.800 0.042 0.000 0.955 62 D HN 0.791 nan 8.370 nan 0.000 0.465 63 A N -0.158 122.690 122.820 0.046 0.000 2.375 63 A HA 0.591 4.912 4.320 0.001 0.000 0.295 63 A C -0.747 176.884 177.584 0.079 0.000 1.066 63 A CA -0.670 51.401 52.037 0.057 0.000 0.722 63 A CB 1.413 20.532 19.000 0.198 0.000 1.206 63 A HN -0.058 nan 8.150 nan 0.000 0.435 64 T N 2.363 116.869 114.554 -0.080 0.000 2.792 64 T HA 0.551 4.902 4.350 0.001 0.000 0.280 64 T C -1.384 173.157 174.700 -0.265 0.000 0.990 64 T CA 0.128 62.185 62.100 -0.070 0.000 0.960 64 T CB 0.341 69.150 68.868 -0.097 0.000 0.939 64 T HN 0.400 nan 8.240 nan 0.000 0.439 65 Y N 2.428 122.688 120.300 -0.066 0.000 2.338 65 Y HA 0.473 5.024 4.550 0.001 0.000 0.328 65 Y C 0.261 176.118 175.900 -0.072 0.000 0.965 65 Y CA -0.975 57.078 58.100 -0.078 0.000 1.208 65 Y CB 0.908 39.326 38.460 -0.070 0.000 1.132 65 Y HN 0.564 nan 8.280 nan 0.000 0.469 66 I N 5.074 125.634 120.570 -0.017 0.000 2.257 66 I HA 0.204 4.375 4.170 0.001 0.000 0.290 66 I C -0.408 175.706 176.117 -0.005 0.000 1.137 66 I CA 0.046 61.337 61.300 -0.015 0.000 1.255 66 I CB -0.096 37.874 38.000 -0.050 0.000 1.485 66 I HN 0.501 nan 8.210 nan 0.000 0.534 67 E N 5.869 126.086 120.200 0.029 0.000 2.317 67 E HA 0.442 4.793 4.350 0.001 0.000 0.270 67 E C -2.534 174.059 176.600 -0.012 0.000 0.885 67 E CA -2.200 54.204 56.400 0.007 0.000 0.760 67 E CB 1.898 31.619 29.700 0.035 0.000 1.227 67 E HN 0.017 nan 8.360 nan 0.000 0.434 68 P HA -0.000 nan 4.420 nan 0.000 0.261 68 P C -0.016 177.280 177.300 -0.006 0.000 1.165 68 P CA 0.612 63.691 63.100 -0.036 0.000 0.759 68 P CB 0.165 31.824 31.700 -0.069 0.000 0.772 69 I N 3.300 123.875 120.570 0.008 0.000 2.191 69 I HA 0.135 4.306 4.170 0.001 0.000 0.289 69 I C 0.938 177.087 176.117 0.054 0.000 1.141 69 I CA -0.012 61.298 61.300 0.016 0.000 1.430 69 I CB -0.745 37.255 38.000 -0.001 0.000 1.497 69 I HN 0.374 nan 8.210 nan 0.000 0.636 70 H N 5.643 124.674 119.070 -0.065 0.000 2.495 70 H HA 0.074 4.631 4.556 0.001 0.000 0.348 70 H C 0.569 175.826 175.328 -0.119 0.000 1.113 70 H CA -0.774 55.221 56.048 -0.089 0.000 1.195 70 H CB 1.645 31.305 29.762 -0.172 0.000 1.521 70 H HN 0.640 nan 8.280 nan 0.000 0.509 71 W N 4.703 125.846 121.300 -0.261 0.000 2.331 71 W HA -0.156 4.505 4.660 0.001 0.000 0.291 71 W C 0.709 177.219 176.519 -0.016 0.000 1.214 71 W CA 0.893 58.151 57.345 -0.146 0.000 1.228 71 W CB -0.448 28.898 29.460 -0.189 0.000 1.135 71 W HN 0.649 nan 8.180 nan 0.000 0.537 72 E N 0.893 120.443 120.200 -1.083 0.000 2.051 72 E HA -0.173 4.178 4.350 0.001 0.000 0.192 72 E C 2.427 178.826 176.600 -0.337 0.000 0.991 72 E CA 2.099 57.976 56.400 -0.873 0.000 0.799 72 E CB -0.197 29.102 29.700 -0.668 0.000 0.748 72 E HN 0.072 nan 8.360 nan 0.000 0.449 73 V N 0.408 120.211 119.914 -0.185 0.000 2.358 73 V HA -0.212 3.909 4.120 0.001 0.000 0.246 73 V C 2.234 178.242 176.094 -0.143 0.000 1.047 73 V CA 1.272 63.485 62.300 -0.145 0.000 1.035 73 V CB -0.189 31.574 31.823 -0.100 0.000 0.658 73 V HN 0.164 nan 8.190 nan 0.000 0.452 74 V N 0.407 120.256 119.914 -0.107 0.000 2.594 74 V HA -0.253 3.868 4.120 0.001 0.000 0.253 74 V C 2.498 178.506 176.094 -0.143 0.000 1.069 74 V CA 2.186 64.418 62.300 -0.114 0.000 1.082 74 V CB -0.947 30.849 31.823 -0.045 0.000 0.680 74 V HN 0.570 nan 8.190 nan 0.000 0.469 75 R N 1.104 121.539 120.500 -0.108 0.000 2.082 75 R HA -0.192 4.148 4.340 0.001 0.000 0.234 75 R C 2.325 178.483 176.300 -0.236 0.000 1.136 75 R CA 1.887 57.921 56.100 -0.111 0.000 0.935 75 R CB -0.339 29.937 30.300 -0.041 0.000 0.842 75 R HN 0.399 nan 8.270 nan 0.000 0.430 76 K N 0.091 120.375 120.400 -0.194 0.000 2.286 76 K HA -0.168 4.152 4.320 0.001 0.000 0.203 76 K C 2.073 178.519 176.600 -0.256 0.000 1.045 76 K CA 1.547 57.720 56.287 -0.190 0.000 0.935 76 K CB -0.194 32.223 32.500 -0.137 0.000 0.737 76 K HN 0.372 nan 8.250 nan 0.000 0.460 77 I N 0.920 121.296 120.570 -0.324 0.000 2.333 77 I HA -0.222 3.949 4.170 0.001 0.000 0.246 77 I C 2.218 178.088 176.117 -0.411 0.000 1.106 77 I CA 0.824 61.842 61.300 -0.470 0.000 1.411 77 I CB -0.114 37.520 38.000 -0.611 0.000 1.082 77 I HN 0.066 nan 8.210 nan 0.000 0.420 78 I N 0.429 120.757 120.570 -0.403 0.000 2.127 78 I HA -0.325 3.846 4.170 0.001 0.000 0.241 78 I C 2.539 178.307 176.117 -0.583 0.000 1.075 78 I CA 1.672 62.701 61.300 -0.452 0.000 1.334 78 I CB -0.876 36.807 38.000 -0.529 0.000 1.040 78 I HN 0.350 nan 8.210 nan 0.000 0.405 79 E N 1.747 121.462 120.200 -0.808 0.000 2.147 79 E HA -0.314 4.036 4.350 0.001 0.000 0.199 79 E C 2.184 178.656 176.600 -0.213 0.000 1.005 79 E CA 1.918 57.923 56.400 -0.659 0.000 0.810 79 E CB -0.021 29.489 29.700 -0.316 0.000 0.736 79 E HN 0.458 nan 8.360 nan 0.000 0.460 80 K N -0.535 119.746 120.400 -0.199 0.000 2.323 80 K HA -0.021 4.299 4.320 0.001 0.000 0.197 80 K C 1.416 177.980 176.600 -0.060 0.000 1.043 80 K CA 0.559 56.793 56.287 -0.088 0.000 0.997 80 K CB 0.447 32.913 32.500 -0.058 0.000 0.807 80 K HN -0.035 nan 8.250 nan 0.000 0.497 81 E N 0.634 120.767 120.200 -0.113 0.000 2.473 81 E HA 0.079 4.430 4.350 0.001 0.000 0.204 81 E C -0.430 176.151 176.600 -0.031 0.000 0.994 81 E CA -0.027 56.341 56.400 -0.053 0.000 0.945 81 E CB 0.645 30.295 29.700 -0.083 0.000 0.990 81 E HN 0.117 nan 8.360 nan 0.000 0.493 82 R N 0.981 121.449 120.500 -0.054 0.000 3.022 82 R HA -0.141 4.200 4.340 0.001 0.000 0.248 82 R C -2.487 173.820 176.300 0.011 0.000 0.874 82 R CA 0.260 56.361 56.100 0.001 0.000 0.626 82 R CB -2.453 27.881 30.300 0.056 0.000 1.255 82 R HN 0.205 nan 8.270 nan 0.000 0.496 83 P HA 0.178 nan 4.420 nan 0.000 0.277 83 P C 0.503 177.819 177.300 0.027 0.000 1.240 83 P CA -0.389 62.711 63.100 -0.000 0.000 0.798 83 P CB 0.821 32.502 31.700 -0.031 0.000 0.979 84 D N 0.289 120.713 120.400 0.040 0.000 2.154 84 D HA 0.070 4.711 4.640 0.001 0.000 0.211 84 D C 0.790 177.112 176.300 0.037 0.000 0.977 84 D CA 1.128 55.157 54.000 0.049 0.000 0.869 84 D CB -0.064 40.774 40.800 0.064 0.000 1.022 84 D HN 0.426 nan 8.370 nan 0.000 0.461 85 A N 0.089 122.924 122.820 0.025 0.000 2.313 85 A HA 0.627 4.948 4.320 0.001 0.000 0.323 85 A C -1.023 176.559 177.584 -0.004 0.000 1.133 85 A CA -0.513 51.530 52.037 0.009 0.000 0.847 85 A CB 2.165 21.163 19.000 -0.004 0.000 1.308 85 A HN 0.007 nan 8.150 nan 0.000 0.475 86 V N 1.012 120.921 119.914 -0.009 0.000 2.623 86 V HA 0.607 4.728 4.120 0.001 0.000 0.304 86 V C -1.749 174.334 176.094 -0.019 0.000 1.054 86 V CA -0.592 61.698 62.300 -0.017 0.000 0.882 86 V CB 1.499 33.313 31.823 -0.014 0.000 1.002 86 V HN 0.953 nan 8.190 nan 0.000 0.424 87 L N 10.228 131.436 121.223 -0.024 0.000 2.277 87 L HA 0.752 5.093 4.340 0.001 0.000 0.284 87 L C -2.117 174.740 176.870 -0.021 0.000 1.028 87 L CA -1.266 53.560 54.840 -0.023 0.000 0.835 87 L CB 1.904 43.944 42.059 -0.030 0.000 1.215 87 L HN 0.534 nan 8.230 nan 0.000 0.425 88 P HA 0.131 nan 4.420 nan 0.000 0.274 88 P C 0.515 177.795 177.300 -0.033 0.000 1.352 88 P CA 0.137 63.222 63.100 -0.025 0.000 0.947 88 P CB 0.321 32.010 31.700 -0.018 0.000 1.437 89 T N -4.475 110.067 114.554 -0.020 0.000 3.144 89 T HA 0.226 4.576 4.350 0.001 0.000 0.249 89 T C 1.074 175.773 174.700 -0.001 0.000 1.089 89 T CA 0.061 62.152 62.100 -0.014 0.000 0.989 89 T CB -0.474 68.398 68.868 0.007 0.000 0.992 89 T HN -0.132 nan 8.240 nan 0.000 0.540 90 M N 1.252 120.847 119.600 -0.007 0.000 2.685 90 M HA 0.424 4.904 4.480 0.001 0.000 0.355 90 M C 1.081 177.382 176.300 0.001 0.000 1.197 90 M CA -0.068 55.262 55.300 0.050 0.000 0.947 90 M CB 0.742 33.371 32.600 0.049 0.000 1.346 90 M HN 0.440 nan 8.290 nan 0.000 0.516 91 G N -0.389 108.294 108.800 -0.195 0.000 4.424 91 G HA2 0.475 4.435 3.960 0.001 0.000 0.287 91 G HA3 0.475 4.435 3.960 0.001 0.000 0.287 91 G C 0.694 175.156 174.900 -0.730 0.000 1.023 91 G CA 0.126 45.014 45.100 -0.353 0.000 0.790 91 G HN 0.595 nan 8.290 nan 0.000 0.468 92 G N 0.772 108.905 108.800 -1.112 0.000 2.575 92 G HA2 -0.351 3.610 3.960 0.001 0.000 0.267 92 G HA3 -0.351 3.610 3.960 0.001 0.000 0.267 92 G C 0.911 175.570 174.900 -0.402 0.000 1.264 92 G CA 0.729 45.224 45.100 -1.009 0.000 0.935 92 G HN 0.512 nan 8.290 nan 0.000 0.568 93 Q N -1.056 118.588 119.800 -0.260 0.000 2.119 93 Q HA 0.029 4.370 4.340 0.001 0.000 0.201 93 Q C 2.964 178.911 176.000 -0.089 0.000 0.972 93 Q CA 2.746 58.482 55.803 -0.111 0.000 0.847 93 Q CB -0.774 27.931 28.738 -0.055 0.000 0.903 93 Q HN 0.701 nan 8.270 nan 0.000 0.433 94 T N -0.028 114.451 114.554 -0.126 0.000 2.720 94 T HA -0.193 4.157 4.350 0.001 0.000 0.268 94 T C 1.609 176.262 174.700 -0.077 0.000 1.037 94 T CA 1.457 63.506 62.100 -0.085 0.000 1.144 94 T CB -0.456 68.356 68.868 -0.093 0.000 0.864 94 T HN 0.462 nan 8.240 nan 0.000 0.444 95 A N 0.963 123.712 122.820 -0.118 0.000 1.872 95 A HA 0.088 4.408 4.320 0.001 0.000 0.214 95 A C 2.318 179.869 177.584 -0.055 0.000 1.187 95 A CA 0.995 52.978 52.037 -0.089 0.000 0.614 95 A CB -0.765 18.170 19.000 -0.109 0.000 0.826 95 A HN 0.458 nan 8.150 nan 0.000 0.442 96 L N -0.255 120.936 121.223 -0.053 0.000 2.012 96 L HA -0.229 4.111 4.340 0.001 0.000 0.210 96 L C 2.297 179.183 176.870 0.026 0.000 1.073 96 L CA 1.519 56.359 54.840 -0.001 0.000 0.748 96 L CB -0.768 41.304 42.059 0.021 0.000 0.891 96 L HN 0.359 nan 8.230 nan 0.000 0.431 97 N N -0.700 118.013 118.700 0.021 0.000 2.166 97 N HA -0.186 4.555 4.740 0.001 0.000 0.186 97 N C 1.856 177.344 175.510 -0.037 0.000 1.019 97 N CA 1.340 54.391 53.050 0.002 0.000 0.856 97 N CB -0.662 37.825 38.487 0.000 0.000 0.993 97 N HN 0.345 nan 8.380 nan 0.000 0.426 98 C N 0.457 119.742 119.300 -0.025 0.000 2.466 98 C HA 0.224 4.685 4.460 0.001 0.000 0.278 98 C C 2.705 177.685 174.990 -0.016 0.000 1.288 98 C CA 0.808 59.818 59.018 -0.014 0.000 1.722 98 C CB -1.205 26.534 27.740 -0.002 0.000 2.017 98 C HN 0.467 nan 8.230 nan 0.000 0.488 99 A N 0.115 122.925 122.820 -0.018 0.000 1.940 99 A HA -0.133 4.188 4.320 0.001 0.000 0.219 99 A C 1.945 179.511 177.584 -0.030 0.000 1.176 99 A CA 1.756 53.783 52.037 -0.016 0.000 0.631 99 A CB -0.645 18.349 19.000 -0.011 0.000 0.814 99 A HN 0.540 nan 8.150 nan 0.000 0.446 100 L N -0.841 120.358 121.223 -0.040 0.000 2.156 100 L HA -0.028 4.313 4.340 0.001 0.000 0.208 100 L C 2.269 179.057 176.870 -0.137 0.000 1.095 100 L CA 2.130 56.928 54.840 -0.071 0.000 0.770 100 L CB -0.504 41.515 42.059 -0.066 0.000 0.914 100 L HN 0.557 nan 8.230 nan 0.000 0.439 101 E N -1.011 119.092 120.200 -0.161 0.000 2.299 101 E HA -0.087 4.264 4.350 0.001 0.000 0.193 101 E C 2.141 178.559 176.600 -0.304 0.000 0.998 101 E CA 0.582 56.808 56.400 -0.290 0.000 0.851 101 E CB -0.017 29.470 29.700 -0.356 0.000 0.795 101 E HN 0.414 nan 8.360 nan 0.000 0.492 102 L N 0.336 121.487 121.223 -0.121 0.000 2.072 102 L HA -0.088 4.253 4.340 0.001 0.000 0.205 102 L C 2.475 179.301 176.870 -0.074 0.000 1.079 102 L CA 1.505 56.321 54.840 -0.039 0.000 0.752 102 L CB -0.384 41.696 42.059 0.034 0.000 0.906 102 L HN 0.211 nan 8.230 nan 0.000 0.436 103 E N 0.703 120.856 120.200 -0.078 0.000 2.031 103 E HA -0.272 4.079 4.350 0.001 0.000 0.193 103 E C 2.292 178.826 176.600 -0.111 0.000 0.994 103 E CA 1.369 57.729 56.400 -0.067 0.000 0.800 103 E CB -0.189 29.480 29.700 -0.052 0.000 0.752 103 E HN 0.143 nan 8.360 nan 0.000 0.447 104 R N -0.202 120.197 120.500 -0.169 0.000 2.112 104 R HA -0.215 4.126 4.340 0.001 0.000 0.242 104 R C 2.162 178.324 176.300 -0.230 0.000 1.137 104 R CA 2.158 58.136 56.100 -0.204 0.000 0.944 104 R CB -0.302 29.839 30.300 -0.266 0.000 0.857 104 R HN 0.267 nan 8.270 nan 0.000 0.435 105 Q N -0.849 118.746 119.800 -0.341 0.000 2.515 105 Q HA 0.055 4.396 4.340 0.001 0.000 0.214 105 Q C 0.551 176.466 176.000 -0.142 0.000 0.971 105 Q CA 0.742 56.326 55.803 -0.365 0.000 0.952 105 Q CB 0.227 28.451 28.738 -0.857 0.000 0.999 105 Q HN 0.658 nan 8.270 nan 0.000 0.524 106 G N -0.805 107.942 108.800 -0.089 0.000 2.233 106 G HA2 -0.306 3.654 3.960 0.001 0.000 0.270 106 G HA3 -0.306 3.654 3.960 0.001 0.000 0.270 106 G C 0.731 175.662 174.900 0.052 0.000 1.011 106 G CA 0.535 45.623 45.100 -0.020 0.000 0.762 106 G HN 0.337 nan 8.290 nan 0.000 0.511 107 V N 0.051 120.020 119.914 0.091 0.000 2.548 107 V HA -0.061 4.059 4.120 0.001 0.000 0.249 107 V C 2.849 179.089 176.094 0.243 0.000 1.055 107 V CA 1.911 64.347 62.300 0.226 0.000 1.065 107 V CB -0.405 31.569 31.823 0.251 0.000 0.681 107 V HN 0.507 nan 8.190 nan 0.000 0.462 108 L N 0.044 121.344 121.223 0.127 0.000 2.023 108 L HA -0.153 4.188 4.340 0.001 0.000 0.205 108 L C 2.643 179.585 176.870 0.120 0.000 1.073 108 L CA 2.037 56.947 54.840 0.115 0.000 0.745 108 L CB -0.640 41.451 42.059 0.053 0.000 0.900 108 L HN 0.389 nan 8.230 nan 0.000 0.435 109 E N 1.086 121.327 120.200 0.068 0.000 2.033 109 E HA -0.333 4.017 4.350 0.001 0.000 0.199 109 E C 2.011 178.625 176.600 0.023 0.000 1.011 109 E CA 2.037 58.457 56.400 0.034 0.000 0.815 109 E CB -0.215 29.488 29.700 0.006 0.000 0.755 109 E HN 0.379 nan 8.360 nan 0.000 0.451 110 E N -1.194 119.016 120.200 0.016 0.000 2.169 110 E HA -0.243 4.107 4.350 0.001 0.000 0.202 110 E C 1.065 177.475 176.600 -0.317 0.000 1.016 110 E CA 1.691 58.010 56.400 -0.135 0.000 0.817 110 E CB -0.210 29.424 29.700 -0.110 0.000 0.736 110 E HN 0.451 nan 8.360 nan 0.000 0.462 111 F N -1.379 118.576 119.950 0.009 0.000 2.682 111 F HA 0.353 4.881 4.527 0.001 0.000 0.308 111 F C 1.300 177.103 175.800 0.005 0.000 1.093 111 F CA 0.363 58.367 58.000 0.007 0.000 1.244 111 F CB 1.353 40.357 39.000 0.006 0.000 1.052 111 F HN 0.148 nan 8.300 nan 0.000 0.573 112 G N 1.065 109.947 108.800 0.136 0.000 2.160 112 G HA2 -0.250 3.711 3.960 0.001 0.000 0.244 112 G HA3 -0.250 3.711 3.960 0.001 0.000 0.244 112 G C -0.085 174.865 174.900 0.083 0.000 1.022 112 G CA 0.075 45.225 45.100 0.084 0.000 0.741 112 G HN 0.143 nan 8.290 nan 0.000 0.508 113 V N 1.588 121.561 119.914 0.097 0.000 2.439 113 V HA 0.383 4.503 4.120 0.001 0.000 0.271 113 V C 1.090 177.209 176.094 0.042 0.000 1.040 113 V CA 0.350 62.688 62.300 0.064 0.000 1.002 113 V CB 0.745 32.601 31.823 0.055 0.000 1.000 113 V HN 0.369 nan 8.190 nan 0.000 0.477 114 T N 6.856 121.429 114.554 0.032 0.000 2.851 114 T HA 0.306 4.657 4.350 0.001 0.000 0.298 114 T C 0.011 174.719 174.700 0.013 0.000 0.977 114 T CA -0.217 61.897 62.100 0.022 0.000 1.126 114 T CB 0.687 69.568 68.868 0.022 0.000 0.916 114 T HN 0.674 nan 8.240 nan 0.000 0.529 115 M N 5.482 125.088 119.600 0.011 0.000 2.105 115 M HA 0.431 4.912 4.480 0.001 0.000 0.350 115 M C -0.717 175.585 176.300 0.003 0.000 1.308 115 M CA -0.567 54.736 55.300 0.005 0.000 1.108 115 M CB -0.193 32.410 32.600 0.006 0.000 1.622 115 M HN 0.652 nan 8.290 nan 0.000 0.468 116 I N 1.251 121.819 120.570 -0.003 0.000 3.237 116 I HA 0.927 5.098 4.170 0.001 0.000 0.308 116 I C 0.892 177.008 176.117 -0.003 0.000 1.093 116 I CA -0.193 61.105 61.300 -0.004 0.000 1.001 116 I CB 1.437 39.428 38.000 -0.015 0.000 1.245 116 I HN 0.808 nan 8.210 nan 0.000 0.485 117 G N 1.563 110.365 108.800 0.002 0.000 3.329 117 G HA2 -0.069 3.892 3.960 0.001 0.000 0.220 117 G HA3 -0.069 3.892 3.960 0.001 0.000 0.220 117 G C 0.172 175.081 174.900 0.015 0.000 1.358 117 G CA 0.417 45.523 45.100 0.010 0.000 0.856 117 G HN 1.761 nan 8.290 nan 0.000 0.551 118 A N -0.415 122.412 122.820 0.012 0.000 2.517 118 A HA 0.877 5.198 4.320 0.001 0.000 0.297 118 A C 0.027 177.619 177.584 0.013 0.000 1.050 118 A CA 1.061 53.106 52.037 0.014 0.000 0.694 118 A CB 1.156 20.164 19.000 0.014 0.000 1.277 118 A HN 1.981 nan 8.150 nan 0.000 0.400 119 T N -0.555 114.009 114.554 0.016 0.000 2.816 119 T HA 0.542 4.893 4.350 0.001 0.000 0.282 119 T C 1.279 175.992 174.700 0.021 0.000 0.993 119 T CA 0.377 62.487 62.100 0.016 0.000 0.994 119 T CB 1.212 70.090 68.868 0.017 0.000 1.025 119 T HN 1.691 nan 8.240 nan 0.000 0.529 120 A N 0.384 123.216 122.820 0.020 0.000 2.119 120 A HA 0.087 4.408 4.320 0.001 0.000 0.217 120 A C 1.914 179.523 177.584 0.040 0.000 1.153 120 A CA 1.616 53.670 52.037 0.028 0.000 0.692 120 A CB -1.015 17.994 19.000 0.014 0.000 0.799 120 A HN 1.013 nan 8.150 nan 0.000 0.458 121 D N -0.420 119.999 120.400 0.032 0.000 2.162 121 D HA 0.104 4.745 4.640 0.001 0.000 0.205 121 D C 2.033 178.359 176.300 0.043 0.000 0.964 121 D CA 1.229 55.251 54.000 0.037 0.000 0.847 121 D CB -0.167 40.648 40.800 0.026 0.000 0.988 121 D HN 0.250 nan 8.370 nan 0.000 0.480 122 A N 0.612 123.452 122.820 0.034 0.000 1.859 122 A HA -0.191 4.130 4.320 0.001 0.000 0.217 122 A C 2.367 179.969 177.584 0.031 0.000 1.198 122 A CA 1.716 53.773 52.037 0.032 0.000 0.629 122 A CB -1.151 17.864 19.000 0.026 0.000 0.830 122 A HN 0.396 nan 8.150 nan 0.000 0.446 123 I N -0.349 120.238 120.570 0.029 0.000 2.087 123 I HA -0.347 3.824 4.170 0.001 0.000 0.240 123 I C 2.325 178.452 176.117 0.018 0.000 1.054 123 I CA 2.282 63.594 61.300 0.020 0.000 1.311 123 I CB -0.435 37.592 38.000 0.045 0.000 1.024 123 I HN 0.504 nan 8.210 nan 0.000 0.402 124 D N 0.319 120.777 120.400 0.097 0.000 2.178 124 D HA -0.242 4.399 4.640 0.001 0.000 0.201 124 D C 2.184 178.525 176.300 0.069 0.000 0.980 124 D CA 1.197 55.297 54.000 0.167 0.000 0.842 124 D CB 0.010 40.927 40.800 0.194 0.000 0.948 124 D HN 0.116 nan 8.370 nan 0.000 0.472 125 K N -0.662 119.773 120.400 0.058 0.000 2.147 125 K HA -0.107 4.214 4.320 0.001 0.000 0.205 125 K C 1.738 178.395 176.600 0.095 0.000 1.049 125 K CA 1.260 57.589 56.287 0.069 0.000 0.936 125 K CB -0.019 32.519 32.500 0.063 0.000 0.722 125 K HN 0.187 nan 8.250 nan 0.000 0.446 126 A N 0.373 123.209 122.820 0.027 0.000 1.901 126 A HA 0.017 4.338 4.320 0.001 0.000 0.210 126 A C 1.738 179.171 177.584 -0.252 0.000 1.208 126 A CA 0.453 52.471 52.037 -0.032 0.000 0.644 126 A CB -0.151 18.803 19.000 -0.077 0.000 0.863 126 A HN 0.168 nan 8.150 nan 0.000 0.454 127 E N 1.036 121.017 120.200 -0.365 0.000 2.204 127 E HA -0.122 4.228 4.350 0.001 0.000 0.195 127 E C 0.032 176.168 176.600 -0.773 0.000 0.990 127 E CA 0.527 56.471 56.400 -0.760 0.000 0.821 127 E CB -0.268 28.715 29.700 -1.195 0.000 0.750 127 E HN 0.564 nan 8.360 nan 0.000 0.477 128 D N 0.777 120.965 120.400 -0.354 0.000 2.317 128 D HA 0.002 4.643 4.640 0.001 0.000 0.252 128 D C 1.055 177.350 176.300 -0.009 0.000 1.174 128 D CA -0.110 53.854 54.000 -0.060 0.000 0.866 128 D CB 0.711 41.593 40.800 0.137 0.000 1.127 128 D HN -0.074 nan 8.370 nan 0.000 0.467 129 R N 3.685 124.183 120.500 -0.003 0.000 2.070 129 R HA -0.130 4.210 4.340 0.001 0.000 0.233 129 R C 2.152 178.511 176.300 0.098 0.000 1.137 129 R CA 0.600 56.720 56.100 0.033 0.000 0.945 129 R CB -0.288 30.004 30.300 -0.013 0.000 0.845 129 R HN 0.498 nan 8.270 nan 0.000 0.430 130 R N 1.120 121.665 120.500 0.074 0.000 2.082 130 R HA -0.109 4.231 4.340 0.001 0.000 0.234 130 R C 2.482 178.821 176.300 0.065 0.000 1.136 130 R CA 1.560 57.697 56.100 0.061 0.000 0.935 130 R CB -0.164 30.177 30.300 0.069 0.000 0.842 130 R HN 0.223 nan 8.270 nan 0.000 0.430 131 R N -0.526 120.023 120.500 0.082 0.000 2.097 131 R HA -0.215 4.126 4.340 0.001 0.000 0.236 131 R C 2.271 178.612 176.300 0.068 0.000 1.135 131 R CA 2.070 58.212 56.100 0.070 0.000 0.934 131 R CB -0.726 29.624 30.300 0.082 0.000 0.846 131 R HN 0.217 nan 8.270 nan 0.000 0.431 132 F N 2.362 122.289 119.950 -0.038 0.000 2.063 132 F HA -0.322 4.205 4.527 0.001 0.000 0.298 132 F C 2.258 178.031 175.800 -0.045 0.000 1.109 132 F CA 2.044 60.012 58.000 -0.053 0.000 1.212 132 F CB -0.501 38.451 39.000 -0.080 0.000 0.973 132 F HN 0.091 nan 8.300 nan 0.000 0.480 133 D N -0.127 120.278 120.400 0.007 0.000 2.149 133 D HA -0.163 4.478 4.640 0.001 0.000 0.198 133 D C 2.282 178.500 176.300 -0.137 0.000 0.990 133 D CA 1.644 55.596 54.000 -0.081 0.000 0.839 133 D CB -0.111 40.698 40.800 0.015 0.000 0.948 133 D HN 0.280 nan 8.370 nan 0.000 0.460 134 V N 1.412 121.273 119.914 -0.088 0.000 2.343 134 V HA -0.218 3.902 4.120 0.001 0.000 0.247 134 V C 2.780 178.801 176.094 -0.122 0.000 1.051 134 V CA 1.739 63.993 62.300 -0.077 0.000 1.036 134 V CB -0.829 30.974 31.823 -0.033 0.000 0.654 134 V HN 0.271 nan 8.190 nan 0.000 0.451 135 A N -0.448 122.267 122.820 -0.175 0.000 1.908 135 A HA -0.239 4.082 4.320 0.001 0.000 0.218 135 A C 2.233 179.669 177.584 -0.246 0.000 1.181 135 A CA 2.070 53.987 52.037 -0.200 0.000 0.627 135 A CB -0.481 18.381 19.000 -0.229 0.000 0.818 135 A HN 0.399 nan 8.150 nan 0.000 0.445 136 M N -0.128 119.245 119.600 -0.378 0.000 2.082 136 M HA -0.187 4.293 4.480 0.001 0.000 0.258 136 M C 2.122 178.324 176.300 -0.164 0.000 1.071 136 M CA 2.394 57.503 55.300 -0.319 0.000 1.103 136 M CB -1.306 31.070 32.600 -0.373 0.000 1.307 136 M HN 0.571 nan 8.290 nan 0.000 0.409 137 K N 0.836 121.156 120.400 -0.134 0.000 2.063 137 K HA -0.202 4.118 4.320 0.001 0.000 0.208 137 K C 1.978 178.539 176.600 -0.066 0.000 1.048 137 K CA 1.979 58.219 56.287 -0.079 0.000 0.928 137 K CB -0.393 32.069 32.500 -0.063 0.000 0.713 137 K HN 0.290 nan 8.250 nan 0.000 0.442 138 K N 0.835 121.190 120.400 -0.076 0.000 2.152 138 K HA -0.115 4.205 4.320 0.001 0.000 0.206 138 K C 1.635 178.205 176.600 -0.050 0.000 1.048 138 K CA 1.735 57.988 56.287 -0.057 0.000 0.933 138 K CB -0.269 32.198 32.500 -0.055 0.000 0.721 138 K HN 0.551 nan 8.250 nan 0.000 0.447 139 I N -3.349 117.183 120.570 -0.064 0.000 3.861 139 I HA 0.367 4.538 4.170 0.001 0.000 0.329 139 I C 0.676 176.772 176.117 -0.035 0.000 1.321 139 I CA 0.178 61.450 61.300 -0.047 0.000 1.126 139 I CB 0.315 38.285 38.000 -0.050 0.000 1.018 139 I HN 0.210 nan 8.210 nan 0.000 0.407 140 G N 2.033 110.811 108.800 -0.037 0.000 2.179 140 G HA2 -0.247 3.714 3.960 0.001 0.000 0.257 140 G HA3 -0.247 3.714 3.960 0.001 0.000 0.257 140 G C 0.013 174.906 174.900 -0.012 0.000 1.010 140 G CA 0.417 45.504 45.100 -0.022 0.000 0.736 140 G HN 0.468 nan 8.290 nan 0.000 0.513 141 L N -0.391 120.820 121.223 -0.020 0.000 2.399 141 L HA 0.634 4.974 4.340 0.001 0.000 0.265 141 L C 0.722 177.598 176.870 0.010 0.000 1.089 141 L CA -0.828 54.019 54.840 0.013 0.000 0.802 141 L CB 1.311 43.389 42.059 0.031 0.000 1.180 141 L HN 0.312 nan 8.230 nan 0.000 0.454 142 E N 0.879 121.112 120.200 0.055 0.000 2.204 142 E HA 0.438 4.789 4.350 0.001 0.000 0.276 142 E C -1.001 175.632 176.600 0.055 0.000 0.974 142 E CA -0.500 55.931 56.400 0.052 0.000 0.815 142 E CB 1.694 31.437 29.700 0.072 0.000 1.119 142 E HN 0.687 nan 8.360 nan 0.000 0.393 143 T N -0.016 114.552 114.554 0.023 0.000 2.887 143 T HA 0.708 5.059 4.350 0.001 0.000 0.292 143 T C -0.432 174.263 174.700 -0.009 0.000 1.087 143 T CA -0.778 61.330 62.100 0.014 0.000 1.009 143 T CB 1.421 70.293 68.868 0.007 0.000 1.203 143 T HN 0.490 nan 8.240 nan 0.000 0.518 144 A N 1.632 124.430 122.820 -0.037 0.000 2.409 144 A HA 0.484 4.805 4.320 0.001 0.000 0.262 144 A C 0.753 178.303 177.584 -0.057 0.000 1.113 144 A CA -0.572 51.417 52.037 -0.079 0.000 0.790 144 A CB -0.197 18.730 19.000 -0.121 0.000 1.046 144 A HN 0.891 nan 8.150 nan 0.000 0.496 145 R N 1.720 122.184 120.500 -0.059 0.000 2.955 145 R HA -0.006 4.334 4.340 0.001 0.000 0.334 145 R C 0.559 176.828 176.300 -0.053 0.000 0.778 145 R CA 1.111 57.181 56.100 -0.050 0.000 1.110 145 R CB -0.225 30.043 30.300 -0.053 0.000 0.889 145 R HN 0.996 nan 8.270 nan 0.000 0.396 146 S N 2.312 117.988 115.700 -0.040 0.000 2.998 146 S HA 0.918 5.388 4.470 0.001 0.000 0.307 146 S C -0.068 174.512 174.600 -0.033 0.000 1.063 146 S CA -0.221 57.958 58.200 -0.035 0.000 0.895 146 S CB 2.252 65.437 63.200 -0.025 0.000 1.362 146 S HN 0.648 nan 8.310 nan 0.000 0.657 147 G N -0.411 108.372 108.800 -0.027 0.000 2.377 147 G HA2 0.458 4.419 3.960 0.001 0.000 0.297 147 G HA3 0.458 4.419 3.960 0.001 0.000 0.297 147 G C -1.853 173.023 174.900 -0.040 0.000 1.547 147 G CA -0.822 44.260 45.100 -0.031 0.000 0.833 147 G HN 0.643 nan 8.290 nan 0.000 0.583 148 I N 0.594 121.124 120.570 -0.066 0.000 2.525 148 I HA 0.722 4.892 4.170 0.001 0.000 0.301 148 I C 0.382 176.385 176.117 -0.190 0.000 0.992 148 I CA -0.848 60.372 61.300 -0.132 0.000 1.162 148 I CB 1.656 39.563 38.000 -0.156 0.000 1.332 148 I HN 0.818 nan 8.210 nan 0.000 0.458 149 A N 4.319 126.994 122.820 -0.240 0.000 2.374 149 A HA 0.600 4.921 4.320 0.001 0.000 0.305 149 A C -0.525 176.900 177.584 -0.265 0.000 1.053 149 A CA -0.415 51.507 52.037 -0.190 0.000 0.726 149 A CB 0.675 19.658 19.000 -0.028 0.000 1.229 149 A HN 0.890 nan 8.150 nan 0.000 0.431 150 H N 0.549 119.639 119.070 0.034 0.000 2.874 150 H HA 0.217 4.774 4.556 0.001 0.000 0.264 150 H C 0.937 176.280 175.328 0.026 0.000 1.007 150 H CA 0.883 56.947 56.048 0.027 0.000 1.207 150 H CB 1.086 30.862 29.762 0.023 0.000 1.487 150 H HN 0.775 nan 8.280 nan 0.000 0.505 151 T N -3.328 111.301 114.554 0.124 0.000 2.804 151 T HA 0.199 4.550 4.350 0.001 0.000 0.290 151 T C 0.816 175.562 174.700 0.077 0.000 1.099 151 T CA -0.890 61.265 62.100 0.092 0.000 1.011 151 T CB 1.762 70.682 68.868 0.087 0.000 1.291 151 T HN -0.029 nan 8.240 nan 0.000 0.523 152 M N 0.576 120.222 119.600 0.076 0.000 2.193 152 M HA 0.227 4.708 4.480 0.001 0.000 0.265 152 M C 2.143 178.523 176.300 0.134 0.000 1.071 152 M CA 1.922 57.279 55.300 0.095 0.000 1.140 152 M CB -1.003 31.645 32.600 0.080 0.000 1.369 152 M HN 0.895 nan 8.290 nan 0.000 0.423 153 E N -0.161 120.098 120.200 0.099 0.000 2.153 153 E HA -0.223 4.128 4.350 0.001 0.000 0.194 153 E C 1.778 178.430 176.600 0.086 0.000 0.988 153 E CA 1.681 58.134 56.400 0.088 0.000 0.811 153 E CB -0.136 29.602 29.700 0.064 0.000 0.746 153 E HN 0.682 nan 8.360 nan 0.000 0.466 154 E N -0.525 119.726 120.200 0.085 0.000 2.158 154 E HA -0.062 4.289 4.350 0.001 0.000 0.191 154 E C 1.954 178.611 176.600 0.095 0.000 0.982 154 E CA 0.614 57.055 56.400 0.068 0.000 0.823 154 E CB 0.032 29.766 29.700 0.056 0.000 0.766 154 E HN 0.397 nan 8.360 nan 0.000 0.468 155 A N 1.036 123.951 122.820 0.159 0.000 1.968 155 A HA -0.089 4.232 4.320 0.001 0.000 0.217 155 A C 2.128 179.963 177.584 0.418 0.000 1.169 155 A CA 0.663 52.880 52.037 0.301 0.000 0.638 155 A CB -0.430 18.727 19.000 0.261 0.000 0.812 155 A HN 0.120 nan 8.150 nan 0.000 0.446 156 L N -0.764 120.635 121.223 0.294 0.000 2.046 156 L HA -0.202 4.139 4.340 0.001 0.000 0.208 156 L C 3.064 179.893 176.870 -0.068 0.000 1.077 156 L CA 1.176 56.068 54.840 0.086 0.000 0.747 156 L CB -0.487 41.640 42.059 0.113 0.000 0.896 156 L HN 0.436 nan 8.230 nan 0.000 0.432 157 A N -0.821 121.996 122.820 -0.006 0.000 1.969 157 A HA -0.100 4.221 4.320 0.001 0.000 0.218 157 A C 2.261 179.802 177.584 -0.071 0.000 1.169 157 A CA 1.285 53.298 52.037 -0.040 0.000 0.635 157 A CB -0.541 18.452 19.000 -0.011 0.000 0.810 157 A HN 0.218 nan 8.150 nan 0.000 0.445 158 V N -0.568 119.318 119.914 -0.047 0.000 2.719 158 V HA -0.112 4.009 4.120 0.001 0.000 0.252 158 V C 2.902 178.909 176.094 -0.145 0.000 1.065 158 V CA 1.499 63.762 62.300 -0.061 0.000 1.086 158 V CB -0.636 31.183 31.823 -0.007 0.000 0.700 158 V HN 0.594 nan 8.190 nan 0.000 0.467 159 A N 0.193 122.863 122.820 -0.250 0.000 1.897 159 A HA 0.011 4.332 4.320 0.001 0.000 0.215 159 A C 2.312 179.560 177.584 -0.560 0.000 1.181 159 A CA 1.533 53.248 52.037 -0.537 0.000 0.620 159 A CB -0.635 17.692 19.000 -1.123 0.000 0.821 159 A HN 0.539 nan 8.150 nan 0.000 0.443 160 A N -0.552 122.042 122.820 -0.377 0.000 2.216 160 A HA -0.036 4.285 4.320 0.001 0.000 0.214 160 A C 1.609 179.060 177.584 -0.222 0.000 1.160 160 A CA 1.874 53.746 52.037 -0.275 0.000 0.725 160 A CB -0.439 18.463 19.000 -0.162 0.000 0.784 160 A HN 0.589 nan 8.150 nan 0.000 0.472 161 D N -0.502 119.768 120.400 -0.217 0.000 2.628 161 D HA -0.072 4.569 4.640 0.001 0.000 0.258 161 D C 2.079 178.274 176.300 -0.176 0.000 1.165 161 D CA 2.040 55.946 54.000 -0.157 0.000 0.991 161 D CB -0.350 40.383 40.800 -0.112 0.000 1.104 161 D HN 0.258 nan 8.370 nan 0.000 0.438 162 V N -1.511 118.289 119.914 -0.189 0.000 2.392 162 V HA 0.165 4.285 4.120 0.001 0.000 0.249 162 V C 1.497 177.456 176.094 -0.225 0.000 1.059 162 V CA 1.229 63.423 62.300 -0.175 0.000 1.051 162 V CB -1.787 29.949 31.823 -0.144 0.000 0.658 162 V HN 0.542 nan 8.190 nan 0.000 0.455 163 G N -0.487 108.080 108.800 -0.388 0.000 2.756 163 G HA2 -0.103 3.857 3.960 0.001 0.000 0.678 163 G HA3 -0.103 3.857 3.960 0.001 0.000 0.678 163 G C -0.815 173.756 174.900 -0.548 0.000 1.349 163 G CA -0.334 44.464 45.100 -0.504 0.000 0.847 163 G HN 0.646 nan 8.290 nan 0.000 0.548 164 F N 1.116 121.041 119.950 -0.041 0.000 2.399 164 F HA 0.630 5.158 4.527 0.001 0.000 0.334 164 F C -1.007 174.802 175.800 0.015 0.000 1.097 164 F CA -1.785 56.205 58.000 -0.017 0.000 1.076 164 F CB 0.970 39.979 39.000 0.015 0.000 1.162 164 F HN 0.415 nan 8.300 nan 0.000 0.495 165 P HA 0.432 nan 4.420 nan 0.000 0.279 165 P C -1.143 176.187 177.300 0.051 0.000 1.252 165 P CA -0.575 62.621 63.100 0.160 0.000 0.811 165 P CB 1.025 32.680 31.700 -0.075 0.000 1.035 166 C N 0.149 119.500 119.300 0.085 0.000 2.802 166 C HA 0.764 5.225 4.460 0.001 0.000 0.307 166 C C -0.742 174.251 174.990 0.005 0.000 1.222 166 C CA -0.908 58.128 59.018 0.029 0.000 1.580 166 C CB 0.274 28.018 27.740 0.006 0.000 2.119 166 C HN 0.356 nan 8.230 nan 0.000 0.479 167 I N 2.708 123.265 120.570 -0.020 0.000 2.330 167 I HA 0.451 4.622 4.170 0.001 0.000 0.289 167 I C 0.048 176.161 176.117 -0.007 0.000 1.001 167 I CA -0.889 60.392 61.300 -0.033 0.000 1.193 167 I CB 1.040 39.004 38.000 -0.061 0.000 1.345 167 I HN 0.576 nan 8.210 nan 0.000 0.461 168 I N 7.116 127.682 120.570 -0.006 0.000 2.371 168 I HA 0.414 4.585 4.170 0.001 0.000 0.290 168 I C 0.248 176.348 176.117 -0.028 0.000 1.028 168 I CA -0.122 61.167 61.300 -0.019 0.000 1.345 168 I CB 0.294 38.262 38.000 -0.055 0.000 1.407 168 I HN 0.385 nan 8.210 nan 0.000 0.501 169 R N 6.710 127.192 120.500 -0.030 0.000 2.569 169 R HA 0.359 4.700 4.340 0.001 0.000 0.293 169 R C -2.751 173.530 176.300 -0.033 0.000 1.186 169 R CA -1.675 54.405 56.100 -0.034 0.000 0.956 169 R CB 1.730 32.002 30.300 -0.047 0.000 1.196 169 R HN 0.259 nan 8.270 nan 0.000 0.444 170 P HA 0.152 nan 4.420 nan 0.000 0.276 170 P C -0.412 176.885 177.300 -0.004 0.000 1.252 170 P CA -0.351 62.747 63.100 -0.003 0.000 0.802 170 P CB 0.886 32.592 31.700 0.010 0.000 1.035 171 S N 0.479 116.206 115.700 0.045 0.000 2.586 171 S HA 0.390 4.860 4.470 0.001 0.000 0.274 171 S C -0.145 174.549 174.600 0.156 0.000 1.281 171 S CA -0.121 58.103 58.200 0.040 0.000 1.035 171 S CB -0.663 62.642 63.200 0.175 0.000 0.962 171 S HN 0.427 nan 8.310 nan 0.000 0.512 172 F N 0.052 119.981 119.950 -0.036 0.000 3.018 172 F HA -0.221 4.307 4.527 0.001 0.000 0.287 172 F C 0.888 176.665 175.800 -0.039 0.000 0.813 172 F CA 0.930 58.907 58.000 -0.038 0.000 1.209 172 F CB -2.267 36.715 39.000 -0.031 0.000 1.321 172 F HN 0.668 nan 8.300 nan 0.000 0.477 173 T N -1.876 112.696 114.554 0.030 0.000 2.883 173 T HA 0.898 5.249 4.350 0.001 0.000 0.296 173 T C -0.277 174.410 174.700 -0.021 0.000 1.117 173 T CA -0.301 61.809 62.100 0.017 0.000 1.006 173 T CB 3.038 71.917 68.868 0.018 0.000 1.191 173 T HN 0.377 nan 8.240 nan 0.000 0.508 174 M N -0.274 119.325 119.600 -0.002 0.000 2.755 174 M HA 0.846 5.327 4.480 0.001 0.000 0.273 174 M C 0.742 177.060 176.300 0.030 0.000 1.278 174 M CA 0.035 55.349 55.300 0.023 0.000 0.819 174 M CB 0.623 33.239 32.600 0.026 0.000 1.694 174 M HN 1.513 nan 8.290 nan 0.000 0.460 175 G N -0.767 108.079 108.800 0.076 0.000 2.153 175 G HA2 0.184 4.145 3.960 0.001 0.000 0.252 175 G HA3 0.184 4.145 3.960 0.001 0.000 0.252 175 G C 1.059 175.858 174.900 -0.169 0.000 0.994 175 G CA 0.674 45.704 45.100 -0.116 0.000 0.698 175 G HN 2.493 nan 8.290 nan 0.000 0.521 176 G N -1.246 107.605 108.800 0.084 0.000 2.203 176 G HA2 -0.100 3.860 3.960 0.001 0.000 0.263 176 G HA3 -0.100 3.860 3.960 0.001 0.000 0.263 176 G C 0.552 175.456 174.900 0.006 0.000 1.012 176 G CA 0.962 46.129 45.100 0.111 0.000 0.749 176 G HN 1.789 nan 8.290 nan 0.000 0.512 177 S N 0.086 115.771 115.700 -0.024 0.000 2.555 177 S HA 0.420 4.890 4.470 0.001 0.000 0.293 177 S C 1.635 176.217 174.600 -0.031 0.000 1.248 177 S CA 1.277 59.451 58.200 -0.044 0.000 1.096 177 S CB 0.622 63.796 63.200 -0.043 0.000 0.881 177 S HN 2.104 nan 8.310 nan 0.000 0.498 178 G N 2.694 111.468 108.800 -0.043 0.000 2.148 178 G HA2 -0.164 3.797 3.960 0.001 0.000 0.254 178 G HA3 -0.164 3.797 3.960 0.001 0.000 0.254 178 G C 0.305 175.181 174.900 -0.040 0.000 0.981 178 G CA -0.064 45.011 45.100 -0.041 0.000 0.670 178 G HN 1.075 nan 8.290 nan 0.000 0.528 179 G N -1.618 107.165 108.800 -0.028 0.000 3.016 179 G HA2 1.072 5.033 3.960 0.001 0.000 0.270 179 G HA3 1.072 5.033 3.960 0.001 0.000 0.270 179 G C 0.260 175.151 174.900 -0.014 0.000 1.352 179 G CA 0.214 45.301 45.100 -0.022 0.000 1.060 179 G HN 1.794 nan 8.290 nan 0.000 0.538 180 G N -1.799 106.995 108.800 -0.009 0.000 2.341 180 G HA2 0.372 4.333 3.960 0.001 0.000 0.293 180 G HA3 0.372 4.333 3.960 0.001 0.000 0.293 180 G C -1.660 173.222 174.900 -0.031 0.000 1.298 180 G CA -0.854 44.245 45.100 -0.001 0.000 0.868 180 G HN 0.742 nan 8.290 nan 0.000 0.540 181 I N 1.485 122.021 120.570 -0.056 0.000 2.328 181 I HA 0.557 4.728 4.170 0.001 0.000 0.287 181 I C 0.731 176.704 176.117 -0.241 0.000 1.012 181 I CA -0.597 60.571 61.300 -0.220 0.000 1.195 181 I CB 1.735 39.493 38.000 -0.404 0.000 1.350 181 I HN 0.727 nan 8.210 nan 0.000 0.464 182 A N 5.891 128.643 122.820 -0.112 0.000 2.343 182 A HA 0.366 4.687 4.320 0.001 0.000 0.305 182 A C -0.131 177.421 177.584 -0.054 0.000 1.308 182 A CA -0.085 51.970 52.037 0.030 0.000 0.949 182 A CB -0.208 19.009 19.000 0.361 0.000 1.148 182 A HN 0.735 nan 8.150 nan 0.000 0.545 183 Y N 1.697 121.966 120.300 -0.052 0.000 2.478 183 Y HA 0.092 4.643 4.550 0.001 0.000 0.261 183 Y C 0.982 176.675 175.900 -0.345 0.000 1.127 183 Y CA 0.745 58.800 58.100 -0.074 0.000 1.288 183 Y CB 0.194 38.631 38.460 -0.037 0.000 1.084 183 Y HN 0.917 nan 8.280 nan 0.000 0.530 184 N N -2.521 115.863 118.700 -0.525 0.000 3.204 184 N HA 0.213 4.954 4.740 0.001 0.000 0.285 184 N C 0.417 175.387 175.510 -0.900 0.000 1.536 184 N CA -0.966 51.606 53.050 -0.797 0.000 0.832 184 N CB 0.633 38.947 38.487 -0.288 0.000 1.645 184 N HN -0.248 nan 8.380 nan 0.000 0.586 185 R N -0.189 120.001 120.500 -0.516 0.000 2.073 185 R HA -0.044 4.297 4.340 0.001 0.000 0.229 185 R C 1.342 177.657 176.300 0.026 0.000 1.120 185 R CA 1.332 57.342 56.100 -0.150 0.000 0.967 185 R CB -0.261 30.035 30.300 -0.008 0.000 0.862 185 R HN 0.848 nan 8.270 nan 0.000 0.436 186 E N 0.749 120.936 120.200 -0.021 0.000 2.058 186 E HA -0.236 4.115 4.350 0.001 0.000 0.194 186 E C 1.621 178.239 176.600 0.030 0.000 0.997 186 E CA 1.538 57.948 56.400 0.017 0.000 0.801 186 E CB -0.002 29.696 29.700 -0.004 0.000 0.746 186 E HN 0.424 nan 8.360 nan 0.000 0.450 187 E N -0.411 119.793 120.200 0.005 0.000 2.077 187 E HA -0.188 4.162 4.350 0.001 0.000 0.193 187 E C 1.877 178.503 176.600 0.044 0.000 0.989 187 E CA 1.085 57.496 56.400 0.020 0.000 0.800 187 E CB -0.262 29.451 29.700 0.021 0.000 0.746 187 E HN 0.290 nan 8.360 nan 0.000 0.452 188 F N 2.180 122.094 119.950 -0.060 0.000 2.091 188 F HA -0.248 4.279 4.527 0.001 0.000 0.299 188 F C 1.979 177.799 175.800 0.034 0.000 1.103 188 F CA 1.795 59.806 58.000 0.020 0.000 1.228 188 F CB 0.021 39.085 39.000 0.106 0.000 0.984 188 F HN -0.034 nan 8.300 nan 0.000 0.477 189 E N -0.237 119.994 120.200 0.052 0.000 2.072 189 E HA -0.253 4.098 4.350 0.001 0.000 0.191 189 E C 2.175 178.719 176.600 -0.093 0.000 0.985 189 E CA 1.222 57.603 56.400 -0.031 0.000 0.801 189 E CB -0.475 29.279 29.700 0.090 0.000 0.750 189 E HN 0.633 nan 8.360 nan 0.000 0.452 190 E N 1.324 121.491 120.200 -0.055 0.000 2.051 190 E HA -0.214 4.136 4.350 0.001 0.000 0.192 190 E C 2.158 178.702 176.600 -0.093 0.000 0.991 190 E CA 1.054 57.421 56.400 -0.054 0.000 0.799 190 E CB -0.087 29.598 29.700 -0.025 0.000 0.748 190 E HN 0.205 nan 8.360 nan 0.000 0.449 191 I N 0.735 121.232 120.570 -0.123 0.000 2.142 191 I HA -0.337 3.833 4.170 0.001 0.000 0.240 191 I C 2.798 178.804 176.117 -0.184 0.000 1.078 191 I CA 0.978 62.196 61.300 -0.136 0.000 1.343 191 I CB -0.396 37.531 38.000 -0.122 0.000 1.046 191 I HN 0.318 nan 8.210 nan 0.000 0.405 192 C N 0.755 119.866 119.300 -0.315 0.000 2.413 192 C HA -0.170 4.291 4.460 0.001 0.000 0.276 192 C C 3.224 178.117 174.990 -0.162 0.000 1.248 192 C CA 0.876 59.708 59.018 -0.309 0.000 1.742 192 C CB -1.287 26.135 27.740 -0.530 0.000 2.017 192 C HN 0.619 nan 8.230 nan 0.000 0.481 193 A N 0.582 123.323 122.820 -0.131 0.000 1.873 193 A HA -0.289 4.032 4.320 0.001 0.000 0.218 193 A C 2.245 179.795 177.584 -0.057 0.000 1.193 193 A CA 2.215 54.214 52.037 -0.063 0.000 0.629 193 A CB -0.734 18.242 19.000 -0.040 0.000 0.826 193 A HN 0.677 nan 8.150 nan 0.000 0.447 194 R N -0.744 119.711 120.500 -0.076 0.000 2.083 194 R HA -0.110 4.231 4.340 0.001 0.000 0.237 194 R C 2.300 178.569 176.300 -0.053 0.000 1.137 194 R CA 1.836 57.893 56.100 -0.071 0.000 0.951 194 R CB -0.826 29.427 30.300 -0.077 0.000 0.851 194 R HN 0.450 nan 8.270 nan 0.000 0.434 195 G N 1.087 109.851 108.800 -0.060 0.000 2.421 195 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 195 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 195 G C 1.508 176.398 174.900 -0.017 0.000 1.171 195 G CA 0.860 45.935 45.100 -0.042 0.000 0.775 195 G HN 0.254 nan 8.290 nan 0.000 0.543 196 L N 0.175 121.386 121.223 -0.020 0.000 2.012 196 L HA -0.100 4.240 4.340 0.001 0.000 0.210 196 L C 2.582 179.463 176.870 0.018 0.000 1.073 196 L CA 1.478 56.324 54.840 0.009 0.000 0.748 196 L CB -0.402 41.663 42.059 0.010 0.000 0.891 196 L HN 0.117 nan 8.230 nan 0.000 0.431 197 D N -0.239 120.166 120.400 0.008 0.000 2.097 197 D HA -0.175 4.466 4.640 0.001 0.000 0.195 197 D C 2.069 178.376 176.300 0.013 0.000 0.989 197 D CA 0.981 54.991 54.000 0.016 0.000 0.827 197 D CB -0.036 40.772 40.800 0.014 0.000 0.966 197 D HN 0.008 nan 8.370 nan 0.000 0.456 198 L N 0.369 121.593 121.223 0.002 0.000 2.079 198 L HA -0.031 4.309 4.340 0.001 0.000 0.210 198 L C 0.939 177.821 176.870 0.021 0.000 1.081 198 L CA 0.998 55.841 54.840 0.004 0.000 0.752 198 L CB -0.799 41.254 42.059 -0.010 0.000 0.896 198 L HN -0.138 nan 8.230 nan 0.000 0.433 199 S N -0.333 115.385 115.700 0.031 0.000 2.544 199 S HA 0.043 4.514 4.470 0.001 0.000 0.290 199 S C -1.377 173.245 174.600 0.037 0.000 1.276 199 S CA -1.012 57.223 58.200 0.059 0.000 1.075 199 S CB 0.591 63.837 63.200 0.077 0.000 0.849 199 S HN 0.089 nan 8.310 nan 0.000 0.494 200 P HA -0.016 nan 4.420 nan 0.000 0.219 200 P C 1.231 178.452 177.300 -0.132 0.000 1.150 200 P CA 1.056 64.110 63.100 -0.077 0.000 0.814 200 P CB -0.165 31.443 31.700 -0.154 0.000 0.787 201 T N -4.712 109.809 114.554 -0.055 0.000 3.086 201 T HA 0.155 4.506 4.350 0.001 0.000 0.250 201 T C 0.906 175.642 174.700 0.059 0.000 1.074 201 T CA -0.353 61.731 62.100 -0.026 0.000 0.988 201 T CB -0.691 68.206 68.868 0.049 0.000 0.988 201 T HN -0.057 nan 8.240 nan 0.000 0.530 202 K N 1.025 121.464 120.400 0.065 0.000 3.077 202 K HA -0.191 4.130 4.320 0.001 0.000 0.264 202 K C -0.501 176.212 176.600 0.188 0.000 1.008 202 K CA 0.801 57.142 56.287 0.089 0.000 0.740 202 K CB -1.191 31.340 32.500 0.052 0.000 1.273 202 K HN 0.871 nan 8.250 nan 0.000 0.477 203 E N 0.748 121.051 120.200 0.171 0.000 2.275 203 E HA 0.405 4.756 4.350 0.001 0.000 0.270 203 E C -0.954 175.680 176.600 0.057 0.000 0.882 203 E CA -0.779 55.718 56.400 0.161 0.000 0.758 203 E CB 1.130 30.979 29.700 0.247 0.000 1.195 203 E HN 0.224 nan 8.360 nan 0.000 0.419 204 L N 3.869 125.084 121.223 -0.012 0.000 2.334 204 L HA 0.540 4.881 4.340 0.001 0.000 0.273 204 L C -0.632 176.214 176.870 -0.041 0.000 1.013 204 L CA -1.258 53.566 54.840 -0.026 0.000 0.816 204 L CB 1.617 43.652 42.059 -0.040 0.000 1.278 204 L HN 0.522 nan 8.230 nan 0.000 0.431 205 L N 3.373 124.579 121.223 -0.028 0.000 2.295 205 L HA 0.535 4.875 4.340 0.001 0.000 0.281 205 L C -0.815 176.046 176.870 -0.015 0.000 1.018 205 L CA 0.067 54.892 54.840 -0.024 0.000 0.841 205 L CB 0.921 42.969 42.059 -0.018 0.000 1.218 205 L HN 0.361 nan 8.230 nan 0.000 0.424 206 I N 4.817 125.386 120.570 -0.002 0.000 2.342 206 I HA 0.334 4.504 4.170 0.001 0.000 0.291 206 I C -0.104 176.009 176.117 -0.006 0.000 1.010 206 I CA 0.180 61.494 61.300 0.022 0.000 1.308 206 I CB 0.785 38.834 38.000 0.082 0.000 1.400 206 I HN 0.576 nan 8.210 nan 0.000 0.488 207 D N 5.512 125.901 120.400 -0.018 0.000 2.374 207 D HA 0.302 4.943 4.640 0.001 0.000 0.239 207 D C -0.255 176.006 176.300 -0.066 0.000 0.991 207 D CA -0.553 53.417 54.000 -0.049 0.000 0.960 207 D CB 1.620 42.382 40.800 -0.064 0.000 1.284 207 D HN 0.569 nan 8.370 nan 0.000 0.512 208 E N -0.690 119.456 120.200 -0.090 0.000 2.622 208 E HA 0.327 4.678 4.350 0.001 0.000 0.255 208 E C -0.383 176.146 176.600 -0.117 0.000 1.313 208 E CA -0.788 55.551 56.400 -0.102 0.000 1.011 208 E CB 0.588 30.228 29.700 -0.099 0.000 1.173 208 E HN 0.138 nan 8.360 nan 0.000 0.601 209 S N -0.175 115.459 115.700 -0.109 0.000 2.457 209 S HA 0.254 4.724 4.470 0.001 0.000 0.289 209 S C 0.140 174.610 174.600 -0.217 0.000 1.163 209 S CA -0.804 57.320 58.200 -0.126 0.000 1.078 209 S CB 0.105 63.268 63.200 -0.061 0.000 0.987 209 S HN 0.526 nan 8.310 nan 0.000 0.482 210 L N 5.347 126.373 121.223 -0.327 0.000 2.910 210 L HA 0.403 4.744 4.340 0.001 0.000 0.252 210 L C 0.000 176.670 176.870 -0.333 0.000 1.195 210 L CA -0.220 54.222 54.840 -0.663 0.000 1.003 210 L CB -0.048 41.456 42.059 -0.925 0.000 1.328 210 L HN 0.613 nan 8.230 nan 0.000 0.540 211 I N 1.408 121.911 120.570 -0.112 0.000 2.821 211 I HA -0.056 4.115 4.170 0.001 0.000 0.294 211 I C 1.475 177.660 176.117 0.114 0.000 1.210 211 I CA 1.295 62.605 61.300 0.016 0.000 1.430 211 I CB 0.312 38.343 38.000 0.053 0.000 1.356 211 I HN 0.467 nan 8.210 nan 0.000 0.563 212 G N 4.420 113.303 108.800 0.138 0.000 2.194 212 G HA2 -0.221 3.739 3.960 0.001 0.000 0.236 212 G HA3 -0.221 3.739 3.960 0.001 0.000 0.236 212 G C -0.088 174.999 174.900 0.313 0.000 0.987 212 G CA -0.626 44.573 45.100 0.165 0.000 0.635 212 G HN 0.502 nan 8.290 nan 0.000 0.520 213 W N 1.646 122.982 121.300 0.060 0.000 2.049 213 W HA 0.628 5.289 4.660 0.001 0.000 0.356 213 W C 1.134 177.705 176.519 0.086 0.000 1.323 213 W CA -0.610 56.789 57.345 0.090 0.000 1.336 213 W CB 0.357 29.875 29.460 0.097 0.000 1.176 213 W HN 0.021 nan 8.180 nan 0.000 0.623 214 K N 1.185 121.787 120.400 0.338 0.000 2.202 214 K HA 0.189 4.510 4.320 0.001 0.000 0.264 214 K C -0.427 176.293 176.600 0.200 0.000 1.010 214 K CA -0.470 55.937 56.287 0.200 0.000 0.940 214 K CB 0.919 33.545 32.500 0.209 0.000 0.983 214 K HN 0.366 nan 8.250 nan 0.000 0.475 215 E N 1.891 122.079 120.200 -0.021 0.000 2.210 215 E HA 0.289 4.640 4.350 0.001 0.000 0.266 215 E C -1.651 174.845 176.600 -0.174 0.000 0.883 215 E CA -0.576 55.837 56.400 0.022 0.000 0.761 215 E CB 0.832 30.551 29.700 0.032 0.000 1.156 215 E HN 0.371 nan 8.360 nan 0.000 0.412 216 Y N 1.342 121.751 120.300 0.181 0.000 2.553 216 Y HA 0.414 4.965 4.550 0.001 0.000 0.347 216 Y C -0.392 175.631 175.900 0.205 0.000 1.019 216 Y CA -0.857 57.349 58.100 0.178 0.000 1.032 216 Y CB 2.309 40.865 38.460 0.161 0.000 1.284 216 Y HN 0.439 nan 8.280 nan 0.000 0.466 217 E N 2.247 122.652 120.200 0.340 0.000 2.367 217 E HA 0.673 5.024 4.350 0.001 0.000 0.273 217 E C -1.418 175.312 176.600 0.217 0.000 0.903 217 E CA -1.037 55.508 56.400 0.241 0.000 0.764 217 E CB 3.130 32.906 29.700 0.127 0.000 1.252 217 E HN 0.463 nan 8.360 nan 0.000 0.446 218 M N 1.560 121.269 119.600 0.183 0.000 2.393 218 M HA 0.308 4.789 4.480 0.001 0.000 0.299 218 M C -1.142 175.197 176.300 0.066 0.000 1.103 218 M CA -0.772 54.595 55.300 0.112 0.000 0.910 218 M CB 2.356 35.014 32.600 0.096 0.000 1.659 218 M HN 0.336 nan 8.290 nan 0.000 0.445 219 E N 3.102 123.317 120.200 0.025 0.000 2.113 219 E HA 0.522 4.873 4.350 0.001 0.000 0.273 219 E C -1.197 175.375 176.600 -0.046 0.000 0.924 219 E CA -0.390 56.009 56.400 -0.002 0.000 0.764 219 E CB 2.249 31.946 29.700 -0.006 0.000 1.104 219 E HN 0.365 nan 8.360 nan 0.000 0.406 220 V N 2.002 121.898 119.914 -0.031 0.000 2.815 220 V HA 0.546 4.667 4.120 0.001 0.000 0.314 220 V C 0.027 176.099 176.094 -0.038 0.000 1.064 220 V CA -0.974 61.299 62.300 -0.045 0.000 0.952 220 V CB 2.193 34.011 31.823 -0.008 0.000 1.020 220 V HN 0.348 nan 8.190 nan 0.000 0.439 221 V N 3.273 123.157 119.914 -0.050 0.000 2.638 221 V HA 0.617 4.738 4.120 0.001 0.000 0.306 221 V C -0.319 175.782 176.094 0.012 0.000 1.052 221 V CA -0.663 61.633 62.300 -0.007 0.000 0.885 221 V CB 2.036 33.859 31.823 -0.000 0.000 0.999 221 V HN 0.902 nan 8.190 nan 0.000 0.424 222 R N 2.404 122.924 120.500 0.033 0.000 2.686 222 R HA 0.597 4.938 4.340 0.001 0.000 0.286 222 R C -1.350 174.981 176.300 0.052 0.000 0.969 222 R CA -0.537 55.585 56.100 0.037 0.000 0.898 222 R CB 1.943 32.261 30.300 0.031 0.000 1.183 222 R HN 0.958 nan 8.270 nan 0.000 0.456 223 D N 1.895 122.328 120.400 0.056 0.000 2.494 223 D HA 0.090 4.730 4.640 0.001 0.000 0.259 223 D C 0.561 176.892 176.300 0.051 0.000 1.109 223 D CA -0.708 53.331 54.000 0.065 0.000 1.040 223 D CB 0.894 41.743 40.800 0.083 0.000 1.175 223 D HN 0.572 nan 8.370 nan 0.000 0.584 224 K N -0.279 120.151 120.400 0.051 0.000 2.211 224 K HA -0.109 4.212 4.320 0.001 0.000 0.203 224 K C 0.548 177.167 176.600 0.033 0.000 1.050 224 K CA 0.867 57.177 56.287 0.038 0.000 0.945 224 K CB -0.329 32.191 32.500 0.033 0.000 0.732 224 K HN 0.113 nan 8.250 nan 0.000 0.451 225 N N 1.114 119.837 118.700 0.038 0.000 2.521 225 N HA -0.083 4.658 4.740 0.001 0.000 0.188 225 N C -0.367 175.162 175.510 0.032 0.000 1.146 225 N CA 1.118 54.188 53.050 0.034 0.000 0.893 225 N CB 0.012 38.523 38.487 0.039 0.000 0.975 225 N HN 0.417 nan 8.380 nan 0.000 0.451 226 D N -1.435 118.985 120.400 0.033 0.000 2.839 226 D HA -0.167 4.473 4.640 0.001 0.000 0.194 226 D C -0.966 175.353 176.300 0.032 0.000 0.988 226 D CA 0.351 54.369 54.000 0.030 0.000 1.009 226 D CB -1.607 39.207 40.800 0.024 0.000 1.067 226 D HN 0.141 nan 8.370 nan 0.000 0.444 227 N N 0.563 119.288 118.700 0.041 0.000 2.412 227 N HA 0.195 4.936 4.740 0.001 0.000 0.254 227 N C -0.199 175.334 175.510 0.038 0.000 1.232 227 N CA 0.464 53.540 53.050 0.044 0.000 0.880 227 N CB 0.919 39.441 38.487 0.059 0.000 1.076 227 N HN 0.345 nan 8.380 nan 0.000 0.458 228 C N 3.341 122.658 119.300 0.028 0.000 2.609 228 C HA 0.755 5.215 4.460 0.001 0.000 0.313 228 C C -0.494 174.493 174.990 -0.005 0.000 1.175 228 C CA -0.724 58.301 59.018 0.012 0.000 1.434 228 C CB -0.357 27.389 27.740 0.009 0.000 2.005 228 C HN 0.735 nan 8.230 nan 0.000 0.471 229 I N 3.272 123.820 120.570 -0.036 0.000 2.865 229 I HA 0.659 4.830 4.170 0.001 0.000 0.302 229 I C -1.218 174.826 176.117 -0.121 0.000 1.140 229 I CA -0.831 60.417 61.300 -0.085 0.000 1.021 229 I CB 1.700 39.612 38.000 -0.147 0.000 1.233 229 I HN 0.270 nan 8.210 nan 0.000 0.427 230 I N 5.082 125.579 120.570 -0.121 0.000 2.304 230 I HA 0.183 4.354 4.170 0.001 0.000 0.291 230 I C 1.029 177.022 176.117 -0.207 0.000 1.018 230 I CA -0.326 60.905 61.300 -0.115 0.000 1.260 230 I CB 1.423 39.397 38.000 -0.043 0.000 1.390 230 I HN 0.591 nan 8.210 nan 0.000 0.475 231 V N 5.320 125.075 119.914 -0.265 0.000 2.535 231 V HA -0.029 4.092 4.120 0.001 0.000 0.246 231 V C 0.728 176.700 176.094 -0.202 0.000 1.045 231 V CA 1.038 63.087 62.300 -0.417 0.000 1.058 231 V CB 0.448 31.931 31.823 -0.566 0.000 0.689 231 V HN 0.881 nan 8.190 nan 0.000 0.461 232 C N -0.256 118.993 119.300 -0.086 0.000 3.239 232 C HA 0.646 5.107 4.460 0.001 0.000 0.329 232 C C -0.297 174.727 174.990 0.058 0.000 1.252 232 C CA -0.367 58.651 59.018 -0.000 0.000 1.323 232 C CB 1.428 29.177 27.740 0.014 0.000 1.663 232 C HN 0.494 nan 8.230 nan 0.000 0.487 233 S N 3.467 119.237 115.700 0.118 0.000 2.532 233 S HA 0.895 5.365 4.470 0.001 0.000 0.301 233 S C -1.095 173.613 174.600 0.180 0.000 1.083 233 S CA -0.568 57.735 58.200 0.172 0.000 1.025 233 S CB 1.337 64.714 63.200 0.294 0.000 1.056 233 S HN 0.712 nan 8.310 nan 0.000 0.494 234 I N 1.172 121.871 120.570 0.216 0.000 2.582 234 I HA 0.426 4.597 4.170 0.001 0.000 0.292 234 I C -0.545 175.712 176.117 0.234 0.000 1.066 234 I CA -0.393 61.023 61.300 0.193 0.000 1.053 234 I CB 2.270 40.350 38.000 0.134 0.000 1.241 234 I HN 0.824 nan 8.210 nan 0.000 0.421 235 E N 6.173 126.473 120.200 0.167 0.000 2.133 235 E HA 0.331 4.682 4.350 0.001 0.000 0.274 235 E C -0.861 175.731 176.600 -0.014 0.000 0.930 235 E CA -0.562 55.820 56.400 -0.029 0.000 0.770 235 E CB 1.024 30.799 29.700 0.125 0.000 1.104 235 E HN 0.539 nan 8.360 nan 0.000 0.403 236 N N 3.806 122.428 118.700 -0.131 0.000 2.525 236 N HA 0.061 4.801 4.740 0.001 0.000 0.271 236 N C 0.074 175.553 175.510 -0.053 0.000 1.194 236 N CA -0.131 52.895 53.050 -0.040 0.000 0.964 236 N CB 0.670 39.136 38.487 -0.034 0.000 1.126 236 N HN 0.521 nan 8.380 nan 0.000 0.452 237 F N 1.468 121.258 119.950 -0.266 0.000 2.147 237 F HA 0.061 4.588 4.527 0.001 0.000 0.291 237 F C 0.591 176.263 175.800 -0.214 0.000 1.093 237 F CA 0.662 58.364 58.000 -0.498 0.000 1.263 237 F CB 0.295 39.008 39.000 -0.479 0.000 1.036 237 F HN 0.383 nan 8.300 nan 0.000 0.481 238 D N 1.730 122.213 120.400 0.139 0.000 2.351 238 D HA 0.292 4.933 4.640 0.001 0.000 0.251 238 D C 0.293 176.609 176.300 0.026 0.000 1.137 238 D CA 0.309 54.364 54.000 0.091 0.000 0.879 238 D CB 1.366 42.273 40.800 0.177 0.000 1.181 238 D HN 0.295 nan 8.370 nan 0.000 0.448 239 A N 3.247 126.071 122.820 0.007 0.000 2.292 239 A HA 0.244 4.565 4.320 0.001 0.000 0.265 239 A C 0.772 178.390 177.584 0.057 0.000 1.133 239 A CA -0.520 51.537 52.037 0.033 0.000 0.807 239 A CB 0.254 19.275 19.000 0.035 0.000 1.102 239 A HN 0.529 nan 8.150 nan 0.000 0.502 240 M N 0.054 119.704 119.600 0.083 0.000 2.248 240 M HA 0.201 4.681 4.480 0.001 0.000 0.343 240 M C 1.376 177.704 176.300 0.047 0.000 1.243 240 M CA 2.025 57.361 55.300 0.060 0.000 1.025 240 M CB -0.454 32.185 32.600 0.066 0.000 1.759 240 M HN 1.464 nan 8.290 nan 0.000 0.452 241 G N 3.591 112.412 108.800 0.034 0.000 2.284 241 G HA2 -0.147 3.814 3.960 0.001 0.000 0.201 241 G HA3 -0.147 3.814 3.960 0.001 0.000 0.201 241 G C 0.033 174.983 174.900 0.084 0.000 0.998 241 G CA -0.603 44.528 45.100 0.051 0.000 0.651 241 G HN 0.570 nan 8.290 nan 0.000 0.489 242 I N 2.499 123.125 120.570 0.093 0.000 2.411 242 I HA 0.305 4.476 4.170 0.001 0.000 0.284 242 I C 0.578 176.786 176.117 0.152 0.000 1.012 242 I CA -1.062 60.322 61.300 0.139 0.000 1.119 242 I CB 1.229 39.314 38.000 0.143 0.000 1.261 242 I HN 0.164 nan 8.210 nan 0.000 0.448 243 H N 5.268 124.389 119.070 0.085 0.000 3.152 243 H HA -0.097 4.459 4.556 0.001 0.000 0.319 243 H C 1.169 176.539 175.328 0.070 0.000 0.994 243 H CA 1.345 57.432 56.048 0.066 0.000 1.370 243 H CB 1.128 30.929 29.762 0.065 0.000 1.322 243 H HN 0.842 nan 8.280 nan 0.000 0.590 244 T N 0.861 115.381 114.554 -0.057 0.000 2.822 244 T HA -0.141 4.210 4.350 0.001 0.000 0.270 244 T C 2.117 176.939 174.700 0.204 0.000 1.064 244 T CA 1.105 63.244 62.100 0.064 0.000 1.131 244 T CB -0.527 68.322 68.868 -0.033 0.000 0.858 244 T HN 0.618 nan 8.240 nan 0.000 0.483 245 G N 0.764 109.843 108.800 0.465 0.000 2.484 245 G HA2 -0.031 3.930 3.960 0.001 0.000 0.218 245 G HA3 -0.031 3.930 3.960 0.001 0.000 0.218 245 G C 1.028 175.994 174.900 0.110 0.000 1.130 245 G CA 0.524 45.761 45.100 0.227 0.000 0.784 245 G HN 0.480 nan 8.290 nan 0.000 0.543 246 D N -0.275 120.255 120.400 0.216 0.000 2.369 246 D HA 0.220 4.861 4.640 0.001 0.000 0.211 246 D C 0.623 177.113 176.300 0.317 0.000 1.077 246 D CA 0.031 54.201 54.000 0.284 0.000 0.842 246 D CB 0.689 41.725 40.800 0.393 0.000 0.947 246 D HN 0.101 nan 8.370 nan 0.000 0.509 247 S N -0.135 115.691 115.700 0.210 0.000 2.608 247 S HA 0.475 4.946 4.470 0.001 0.000 0.291 247 S C 0.354 175.020 174.600 0.109 0.000 1.146 247 S CA -0.695 57.609 58.200 0.173 0.000 1.043 247 S CB 1.827 65.108 63.200 0.135 0.000 1.037 247 S HN 0.028 nan 8.310 nan 0.000 0.520 248 I N 2.696 123.313 120.570 0.079 0.000 2.441 248 I HA 0.272 4.443 4.170 0.001 0.000 0.287 248 I C 0.622 176.747 176.117 0.012 0.000 1.049 248 I CA 0.108 61.382 61.300 -0.044 0.000 1.381 248 I CB 0.895 38.705 38.000 -0.317 0.000 1.409 248 I HN 0.710 nan 8.210 nan 0.000 0.523 249 T N 3.651 118.207 114.554 0.003 0.000 2.896 249 T HA 0.777 5.128 4.350 0.001 0.000 0.297 249 T C -0.538 174.201 174.700 0.064 0.000 1.108 249 T CA -0.771 61.355 62.100 0.043 0.000 1.004 249 T CB 1.941 70.839 68.868 0.051 0.000 1.159 249 T HN 0.446 nan 8.240 nan 0.000 0.499 250 V N -1.814 118.173 119.914 0.123 0.000 3.040 250 V HA 1.035 5.156 4.120 0.001 0.000 0.312 250 V C -0.680 175.506 176.094 0.153 0.000 1.115 250 V CA -1.199 61.198 62.300 0.161 0.000 0.998 250 V CB 1.269 33.260 31.823 0.280 0.000 1.042 250 V HN 1.615 nan 8.190 nan 0.000 0.433 251 A N 3.570 126.469 122.820 0.131 0.000 2.393 251 A HA 1.036 5.357 4.320 0.001 0.000 0.306 251 A C -2.913 174.720 177.584 0.081 0.000 1.050 251 A CA -1.791 50.310 52.037 0.105 0.000 0.724 251 A CB 1.873 20.923 19.000 0.084 0.000 1.248 251 A HN 0.792 nan 8.150 nan 0.000 0.424 252 P HA 0.496 nan 4.420 nan 0.000 0.306 252 P C 0.082 177.437 177.300 0.091 0.000 1.309 252 P CA -0.284 62.847 63.100 0.052 0.000 0.759 252 P CB 0.630 32.316 31.700 -0.023 0.000 1.314 253 A N 0.383 123.291 122.820 0.146 0.000 2.483 253 A HA 0.086 4.407 4.320 0.001 0.000 0.238 253 A C 1.098 178.696 177.584 0.024 0.000 1.070 253 A CA 0.278 52.447 52.037 0.219 0.000 0.770 253 A CB -0.316 18.891 19.000 0.345 0.000 1.008 253 A HN 0.473 nan 8.150 nan 0.000 0.497 254 Q N 0.192 119.955 119.800 -0.062 0.000 2.471 254 Q HA 0.021 4.361 4.340 0.001 0.000 0.241 254 Q C 1.233 176.925 176.000 -0.513 0.000 0.886 254 Q CA 1.609 57.144 55.803 -0.447 0.000 0.953 254 Q CB 0.022 28.167 28.738 -0.988 0.000 1.108 254 Q HN 0.984 nan 8.270 nan 0.000 0.575 255 T N -1.556 112.823 114.554 -0.292 0.000 3.248 255 T HA 0.512 4.862 4.350 0.001 0.000 0.271 255 T C 0.354 175.004 174.700 -0.083 0.000 1.005 255 T CA -0.174 61.786 62.100 -0.234 0.000 0.902 255 T CB -0.470 68.279 68.868 -0.199 0.000 1.102 255 T HN -0.106 nan 8.240 nan 0.000 0.548 256 L N 2.324 123.494 121.223 -0.089 0.000 2.325 256 L HA 0.582 4.923 4.340 0.001 0.000 0.278 256 L C 0.886 177.695 176.870 -0.101 0.000 1.023 256 L CA -1.097 53.679 54.840 -0.107 0.000 0.811 256 L CB 1.921 43.890 42.059 -0.150 0.000 1.249 256 L HN 0.305 nan 8.230 nan 0.000 0.431 257 T N -3.097 111.405 114.554 -0.088 0.000 2.816 257 T HA 0.062 4.413 4.350 0.001 0.000 0.282 257 T C 0.680 175.344 174.700 -0.060 0.000 0.993 257 T CA -0.519 61.534 62.100 -0.078 0.000 0.994 257 T CB 1.369 70.197 68.868 -0.067 0.000 1.025 257 T HN 0.682 nan 8.240 nan 0.000 0.529 258 D N 0.066 120.429 120.400 -0.062 0.000 2.149 258 D HA -0.127 4.513 4.640 0.001 0.000 0.198 258 D C 1.962 178.260 176.300 -0.003 0.000 0.990 258 D CA 1.438 55.414 54.000 -0.039 0.000 0.839 258 D CB -0.060 40.708 40.800 -0.054 0.000 0.948 258 D HN 0.610 nan 8.370 nan 0.000 0.460 259 K N -0.122 120.261 120.400 -0.029 0.000 2.063 259 K HA -0.169 4.152 4.320 0.001 0.000 0.208 259 K C 2.142 178.711 176.600 -0.052 0.000 1.048 259 K CA 1.487 57.753 56.287 -0.035 0.000 0.928 259 K CB -0.107 32.368 32.500 -0.042 0.000 0.713 259 K HN 0.358 nan 8.250 nan 0.000 0.442 260 E N -0.327 119.832 120.200 -0.068 0.000 2.152 260 E HA -0.186 4.165 4.350 0.001 0.000 0.192 260 E C 1.810 178.320 176.600 -0.150 0.000 0.983 260 E CA 0.768 57.095 56.400 -0.122 0.000 0.818 260 E CB -0.178 29.432 29.700 -0.150 0.000 0.758 260 E HN 0.295 nan 8.360 nan 0.000 0.467 261 Y N 2.289 122.461 120.300 -0.214 0.000 2.097 261 Y HA -0.304 4.247 4.550 0.001 0.000 0.282 261 Y C 2.368 178.152 175.900 -0.193 0.000 1.152 261 Y CA 1.792 59.758 58.100 -0.223 0.000 1.136 261 Y CB 0.014 38.371 38.460 -0.170 0.000 0.975 261 Y HN -0.056 nan 8.280 nan 0.000 0.498 262 Q N 0.337 120.140 119.800 0.005 0.000 2.112 262 Q HA -0.223 4.118 4.340 0.001 0.000 0.206 262 Q C 2.471 178.385 176.000 -0.144 0.000 0.987 262 Q CA 2.141 57.915 55.803 -0.048 0.000 0.858 262 Q CB -0.729 28.009 28.738 -0.000 0.000 0.905 262 Q HN 0.634 nan 8.270 nan 0.000 0.420 263 I N 0.140 120.615 120.570 -0.159 0.000 2.226 263 I HA -0.279 3.892 4.170 0.001 0.000 0.245 263 I C 2.532 178.479 176.117 -0.283 0.000 1.100 263 I CA 1.089 62.283 61.300 -0.178 0.000 1.374 263 I CB -0.284 37.619 38.000 -0.162 0.000 1.057 263 I HN 0.233 nan 8.210 nan 0.000 0.413 264 M N 0.467 119.806 119.600 -0.435 0.000 2.175 264 M HA -0.232 4.249 4.480 0.001 0.000 0.264 264 M C 2.531 178.502 176.300 -0.550 0.000 1.063 264 M CA 1.652 56.532 55.300 -0.701 0.000 1.119 264 M CB -0.159 31.932 32.600 -0.848 0.000 1.377 264 M HN 0.085 nan 8.290 nan 0.000 0.415 265 R N 0.181 120.396 120.500 -0.475 0.000 2.066 265 R HA -0.145 4.196 4.340 0.001 0.000 0.232 265 R C 1.581 177.784 176.300 -0.161 0.000 1.131 265 R CA 2.311 58.208 56.100 -0.337 0.000 0.955 265 R CB -0.471 29.622 30.300 -0.345 0.000 0.851 265 R HN 0.550 nan 8.270 nan 0.000 0.432 266 N N 0.165 118.783 118.700 -0.136 0.000 2.104 266 N HA -0.177 4.563 4.740 0.001 0.000 0.190 266 N C 1.871 177.362 175.510 -0.031 0.000 1.024 266 N CA 1.140 54.149 53.050 -0.067 0.000 0.853 266 N CB -0.198 38.254 38.487 -0.058 0.000 1.008 266 N HN 0.304 nan 8.380 nan 0.000 0.424 267 A N 0.923 123.720 122.820 -0.039 0.000 1.908 267 A HA -0.161 4.160 4.320 0.001 0.000 0.218 267 A C 2.356 180.043 177.584 0.171 0.000 1.181 267 A CA 1.653 53.733 52.037 0.071 0.000 0.627 267 A CB -0.668 18.387 19.000 0.092 0.000 0.818 267 A HN 0.215 nan 8.150 nan 0.000 0.445 268 S N -0.212 115.594 115.700 0.177 0.000 2.359 268 S HA -0.200 4.271 4.470 0.001 0.000 0.224 268 S C 2.037 176.691 174.600 0.089 0.000 1.035 268 S CA 1.918 60.236 58.200 0.198 0.000 1.018 268 S CB -0.441 62.846 63.200 0.144 0.000 0.876 268 S HN 0.601 nan 8.310 nan 0.000 0.448 269 M N 1.168 120.792 119.600 0.039 0.000 2.132 269 M HA -0.045 4.435 4.480 0.001 0.000 0.263 269 M C 2.610 178.927 176.300 0.028 0.000 1.065 269 M CA 1.326 56.641 55.300 0.024 0.000 1.122 269 M CB -0.715 31.888 32.600 0.005 0.000 1.365 269 M HN 0.388 nan 8.290 nan 0.000 0.411 270 A N 0.354 123.191 122.820 0.027 0.000 1.917 270 A HA -0.146 4.174 4.320 0.001 0.000 0.219 270 A C 2.255 179.850 177.584 0.019 0.000 1.182 270 A CA 2.052 54.100 52.037 0.018 0.000 0.633 270 A CB -1.175 17.835 19.000 0.016 0.000 0.819 270 A HN 0.323 nan 8.150 nan 0.000 0.448 271 V N -0.748 119.191 119.914 0.041 0.000 2.407 271 V HA -0.229 3.891 4.120 0.001 0.000 0.248 271 V C 2.482 178.605 176.094 0.049 0.000 1.055 271 V CA 1.912 64.235 62.300 0.039 0.000 1.049 271 V CB -0.734 31.136 31.823 0.078 0.000 0.662 271 V HN 0.482 nan 8.190 nan 0.000 0.455 272 L N -0.638 120.614 121.223 0.048 0.000 2.109 272 L HA -0.052 4.288 4.340 0.001 0.000 0.207 272 L C 2.579 179.468 176.870 0.031 0.000 1.086 272 L CA 1.743 56.609 54.840 0.042 0.000 0.760 272 L CB -0.602 41.478 42.059 0.035 0.000 0.910 272 L HN 0.165 nan 8.230 nan 0.000 0.437 273 R N -0.809 119.704 120.500 0.023 0.000 2.075 273 R HA -0.193 4.148 4.340 0.001 0.000 0.232 273 R C 2.205 178.512 176.300 0.010 0.000 1.126 273 R CA 1.341 57.451 56.100 0.016 0.000 0.963 273 R CB -0.183 30.124 30.300 0.012 0.000 0.858 273 R HN 0.238 nan 8.270 nan 0.000 0.435 274 E N 0.893 121.095 120.200 0.004 0.000 2.077 274 E HA -0.167 4.184 4.350 0.001 0.000 0.193 274 E C 1.508 178.109 176.600 0.001 0.000 0.989 274 E CA 1.295 57.689 56.400 -0.010 0.000 0.800 274 E CB -0.096 29.580 29.700 -0.039 0.000 0.746 274 E HN 0.117 nan 8.360 nan 0.000 0.452 275 I N -0.456 120.126 120.570 0.021 0.000 2.546 275 I HA 0.119 4.290 4.170 0.001 0.000 0.255 275 I C 1.847 177.985 176.117 0.034 0.000 1.163 275 I CA 1.400 62.726 61.300 0.043 0.000 1.457 275 I CB -0.146 37.906 38.000 0.087 0.000 1.092 275 I HN 0.413 nan 8.210 nan 0.000 0.434 276 G N -0.594 108.223 108.800 0.027 0.000 2.192 276 G HA2 -0.181 3.780 3.960 0.001 0.000 0.193 276 G HA3 -0.181 3.780 3.960 0.001 0.000 0.193 276 G C 0.319 175.234 174.900 0.025 0.000 0.999 276 G CA -0.016 45.098 45.100 0.024 0.000 0.659 276 G HN 0.100 nan 8.290 nan 0.000 0.503 277 V N 0.950 120.880 119.914 0.028 0.000 2.446 277 V HA 0.376 4.497 4.120 0.001 0.000 0.276 277 V C 1.173 177.283 176.094 0.027 0.000 1.030 277 V CA 1.309 63.625 62.300 0.027 0.000 1.033 277 V CB 1.249 33.089 31.823 0.028 0.000 0.993 277 V HN 0.488 nan 8.190 nan 0.000 0.477 278 E N 1.892 122.108 120.200 0.027 0.000 2.474 278 E HA 0.075 4.426 4.350 0.001 0.000 0.215 278 E C 0.560 177.182 176.600 0.036 0.000 0.867 278 E CA 0.391 56.809 56.400 0.029 0.000 1.135 278 E CB 0.855 30.570 29.700 0.026 0.000 1.147 278 E HN 0.833 nan 8.360 nan 0.000 0.534 279 T N -0.913 113.662 114.554 0.036 0.000 3.624 279 T HA 0.629 4.979 4.350 0.001 0.000 0.244 279 T C 0.093 174.821 174.700 0.046 0.000 1.063 279 T CA -0.329 61.797 62.100 0.044 0.000 1.252 279 T CB 1.056 69.947 68.868 0.038 0.000 1.021 279 T HN 0.153 nan 8.240 nan 0.000 0.590 280 G N -0.208 108.621 108.800 0.048 0.000 2.510 280 G HA2 0.703 4.664 3.960 0.001 0.000 0.277 280 G HA3 0.703 4.664 3.960 0.001 0.000 0.277 280 G C -1.162 173.769 174.900 0.052 0.000 1.223 280 G CA -0.231 44.901 45.100 0.052 0.000 0.887 280 G HN 0.560 nan 8.290 nan 0.000 0.485 281 G N -0.768 108.063 108.800 0.052 0.000 2.591 281 G HA2 0.662 4.623 3.960 0.001 0.000 0.306 281 G HA3 0.662 4.623 3.960 0.001 0.000 0.306 281 G C -0.929 173.995 174.900 0.039 0.000 1.334 281 G CA 0.055 45.180 45.100 0.043 0.000 0.981 281 G HN 0.994 nan 8.290 nan 0.000 0.491 282 S N 0.011 115.727 115.700 0.027 0.000 2.651 282 S HA 0.531 5.002 4.470 0.001 0.000 0.279 282 S C -0.874 173.736 174.600 0.017 0.000 1.148 282 S CA -1.006 57.207 58.200 0.022 0.000 0.837 282 S CB 2.081 65.290 63.200 0.014 0.000 1.138 282 S HN 0.714 nan 8.310 nan 0.000 0.478 283 N N 1.119 119.824 118.700 0.008 0.000 2.392 283 N HA 0.484 5.225 4.740 0.001 0.000 0.283 283 N C -1.677 173.815 175.510 -0.030 0.000 1.003 283 N CA -0.255 52.798 53.050 0.005 0.000 0.892 283 N CB 1.332 39.823 38.487 0.007 0.000 1.193 283 N HN 0.355 nan 8.380 nan 0.000 0.487 284 V N 3.614 123.518 119.914 -0.016 0.000 2.409 284 V HA 0.327 4.448 4.120 0.001 0.000 0.291 284 V C -0.202 175.778 176.094 -0.191 0.000 1.020 284 V CA -0.785 61.444 62.300 -0.119 0.000 0.848 284 V CB 1.386 33.175 31.823 -0.056 0.000 0.990 284 V HN 0.620 nan 8.190 nan 0.000 0.430 285 Q N 3.896 123.505 119.800 -0.319 0.000 2.235 285 Q HA 0.793 5.134 4.340 0.001 0.000 0.256 285 Q C -1.505 174.233 176.000 -0.437 0.000 0.951 285 Q CA -0.416 55.262 55.803 -0.207 0.000 0.890 285 Q CB 2.283 30.953 28.738 -0.114 0.000 1.279 285 Q HN 0.618 nan 8.270 nan 0.000 0.444 286 F N -0.234 119.784 119.950 0.114 0.000 2.629 286 F HA 0.735 5.263 4.527 0.001 0.000 0.316 286 F C -0.531 175.395 175.800 0.210 0.000 1.081 286 F CA -1.131 56.957 58.000 0.146 0.000 0.954 286 F CB 1.817 40.900 39.000 0.139 0.000 1.337 286 F HN 0.587 nan 8.300 nan 0.000 0.474 287 A N 1.079 124.172 122.820 0.455 0.000 2.350 287 A HA 0.865 5.185 4.320 0.001 0.000 0.324 287 A C -1.599 176.361 177.584 0.626 0.000 1.118 287 A CA -0.703 51.622 52.037 0.481 0.000 0.783 287 A CB 1.373 20.575 19.000 0.337 0.000 1.236 287 A HN 0.533 nan 8.150 nan 0.000 0.457 288 V N 2.581 122.851 119.914 0.593 0.000 2.588 288 V HA 0.310 4.431 4.120 0.001 0.000 0.304 288 V C -0.445 175.617 176.094 -0.053 0.000 1.042 288 V CA -0.935 61.551 62.300 0.310 0.000 0.877 288 V CB 2.025 33.993 31.823 0.241 0.000 0.996 288 V HN 0.910 nan 8.190 nan 0.000 0.425 289 N N 6.912 125.197 118.700 -0.691 0.000 2.415 289 N HA 0.257 4.998 4.740 0.001 0.000 0.246 289 N C -1.436 173.776 175.510 -0.497 0.000 1.078 289 N CA -2.044 50.262 53.050 -1.241 0.000 0.942 289 N CB 1.744 39.254 38.487 -1.629 0.000 1.140 289 N HN 0.283 nan 8.380 nan 0.000 0.501 290 P HA -0.169 nan 4.420 nan 0.000 0.218 290 P C 0.514 177.738 177.300 -0.126 0.000 1.146 290 P CA 1.511 64.545 63.100 -0.110 0.000 0.813 290 P CB 0.431 32.131 31.700 -0.000 0.000 0.778 291 K N -0.642 119.652 120.400 -0.178 0.000 2.228 291 K HA -0.043 4.278 4.320 0.001 0.000 0.202 291 K C 1.092 177.615 176.600 -0.128 0.000 1.051 291 K CA 1.372 57.582 56.287 -0.129 0.000 0.960 291 K CB -0.192 32.242 32.500 -0.109 0.000 0.743 291 K HN 0.290 nan 8.250 nan 0.000 0.458 292 N N -2.314 116.281 118.700 -0.176 0.000 2.081 292 N HA 0.088 4.829 4.740 0.001 0.000 0.230 292 N C 0.670 176.101 175.510 -0.132 0.000 1.351 292 N CA 0.343 53.313 53.050 -0.135 0.000 0.840 292 N CB 0.863 39.282 38.487 -0.113 0.000 1.189 292 N HN 0.059 nan 8.380 nan 0.000 0.503 293 G N 0.939 109.646 108.800 -0.156 0.000 2.184 293 G HA2 -0.403 3.558 3.960 0.001 0.000 0.264 293 G HA3 -0.403 3.558 3.960 0.001 0.000 0.264 293 G C 0.035 174.869 174.900 -0.109 0.000 0.975 293 G CA 0.304 45.330 45.100 -0.123 0.000 0.642 293 G HN 0.663 nan 8.290 nan 0.000 0.536 294 R N 0.076 120.490 120.500 -0.144 0.000 2.480 294 R HA 0.347 4.687 4.340 0.001 0.000 0.303 294 R C -0.013 176.329 176.300 0.070 0.000 0.985 294 R CA -0.292 55.780 56.100 -0.047 0.000 1.051 294 R CB 0.035 30.310 30.300 -0.041 0.000 0.935 294 R HN 0.314 nan 8.270 nan 0.000 0.410 295 L N 6.450 127.748 121.223 0.125 0.000 2.307 295 L HA 0.505 4.845 4.340 0.001 0.000 0.282 295 L C -0.805 176.242 176.870 0.295 0.000 1.051 295 L CA -0.213 54.745 54.840 0.196 0.000 0.804 295 L CB 1.319 43.410 42.059 0.054 0.000 1.197 295 L HN 0.606 nan 8.230 nan 0.000 0.431 296 I N 4.976 125.777 120.570 0.386 0.000 2.569 296 I HA 0.319 4.489 4.170 0.001 0.000 0.290 296 I C -0.904 175.392 176.117 0.300 0.000 1.088 296 I CA -1.004 60.472 61.300 0.293 0.000 1.047 296 I CB 2.296 40.418 38.000 0.203 0.000 1.237 296 I HN 0.201 nan 8.210 nan 0.000 0.421 297 V N 6.233 126.255 119.914 0.180 0.000 2.488 297 V HA 0.177 4.298 4.120 0.001 0.000 0.277 297 V C 1.060 177.155 176.094 0.002 0.000 1.046 297 V CA -0.190 62.109 62.300 -0.000 0.000 0.986 297 V CB 1.409 33.231 31.823 -0.001 0.000 0.989 297 V HN 0.569 nan 8.190 nan 0.000 0.475 298 I N 2.927 123.433 120.570 -0.106 0.000 2.628 298 I HA 0.188 4.359 4.170 0.001 0.000 0.255 298 I C 0.987 177.034 176.117 -0.116 0.000 1.119 298 I CA 0.977 62.232 61.300 -0.075 0.000 1.448 298 I CB -0.302 37.638 38.000 -0.100 0.000 1.133 298 I HN 1.018 nan 8.210 nan 0.000 0.438 299 E N 0.674 120.735 120.200 -0.232 0.000 2.310 299 E HA 0.404 4.755 4.350 0.001 0.000 0.264 299 E C -0.911 175.379 176.600 -0.516 0.000 1.309 299 E CA -0.861 55.189 56.400 -0.582 0.000 0.900 299 E CB 1.200 30.603 29.700 -0.495 0.000 1.496 299 E HN -0.002 nan 8.360 nan 0.000 0.433 300 M N 1.058 120.240 119.600 -0.697 0.000 2.470 300 M HA 0.627 5.108 4.480 0.001 0.000 0.285 300 M C -2.142 173.982 176.300 -0.293 0.000 1.213 300 M CA -0.443 54.645 55.300 -0.352 0.000 0.901 300 M CB 2.588 35.119 32.600 -0.115 0.000 1.718 300 M HN 0.392 nan 8.290 nan 0.000 0.469 301 N N 4.035 122.641 118.700 -0.156 0.000 2.479 301 N HA 0.443 5.184 4.740 0.001 0.000 0.261 301 N C -2.665 172.810 175.510 -0.058 0.000 0.979 301 N CA -1.187 51.797 53.050 -0.110 0.000 0.930 301 N CB 1.907 40.360 38.487 -0.058 0.000 1.172 301 N HN 0.531 nan 8.380 nan 0.000 0.499 302 P HA 0.162 nan 4.420 nan 0.000 0.218 302 P C -0.411 176.884 177.300 -0.008 0.000 1.793 302 P CA 0.112 63.196 63.100 -0.027 0.000 0.941 302 P CB -0.043 31.638 31.700 -0.032 0.000 1.919 303 R N -1.743 118.764 120.500 0.011 0.000 3.091 303 R HA 0.488 4.828 4.340 0.001 0.000 0.266 303 R C -0.886 175.463 176.300 0.081 0.000 0.981 303 R CA -1.015 55.106 56.100 0.036 0.000 0.845 303 R CB -0.176 30.134 30.300 0.017 0.000 1.498 303 R HN -0.153 nan 8.270 nan 0.000 0.437 304 V N -0.077 119.918 119.914 0.136 0.000 2.953 304 V HA 0.753 4.874 4.120 0.001 0.000 0.304 304 V C 0.144 176.414 176.094 0.295 0.000 1.073 304 V CA 0.128 62.544 62.300 0.193 0.000 1.064 304 V CB 1.224 33.178 31.823 0.220 0.000 1.047 304 V HN 0.955 nan 8.190 nan 0.000 0.478 305 S N 2.663 118.493 115.700 0.217 0.000 2.851 305 S HA 0.520 4.991 4.470 0.001 0.000 0.317 305 S C 0.736 175.348 174.600 0.020 0.000 1.144 305 S CA -0.525 57.791 58.200 0.194 0.000 0.862 305 S CB 1.621 64.889 63.200 0.114 0.000 1.259 305 S HN 1.005 nan 8.310 nan 0.000 0.564 306 R N 0.208 120.695 120.500 -0.021 0.000 2.193 306 R HA 0.123 4.464 4.340 0.001 0.000 0.213 306 R C 1.279 177.557 176.300 -0.036 0.000 1.055 306 R CA 1.307 57.343 56.100 -0.108 0.000 0.995 306 R CB -0.782 29.454 30.300 -0.106 0.000 0.893 306 R HN 0.452 nan 8.270 nan 0.000 0.459 307 S N 1.402 117.110 115.700 0.013 0.000 2.461 307 S HA -0.108 4.363 4.470 0.001 0.000 0.228 307 S C 1.989 176.613 174.600 0.040 0.000 1.005 307 S CA 1.051 59.268 58.200 0.028 0.000 0.942 307 S CB 0.127 63.351 63.200 0.042 0.000 0.776 307 S HN 0.611 nan 8.310 nan 0.000 0.514 308 S N 2.604 118.337 115.700 0.054 0.000 2.383 308 S HA 0.019 4.490 4.470 0.001 0.000 0.227 308 S C 2.043 176.711 174.600 0.114 0.000 1.026 308 S CA 0.799 59.053 58.200 0.090 0.000 0.981 308 S CB -0.546 62.722 63.200 0.114 0.000 0.818 308 S HN 0.489 nan 8.310 nan 0.000 0.472 309 A N 1.825 124.687 122.820 0.070 0.000 1.898 309 A HA 0.157 4.478 4.320 0.001 0.000 0.216 309 A C 2.265 179.811 177.584 -0.064 0.000 1.181 309 A CA 1.457 53.496 52.037 0.004 0.000 0.620 309 A CB -0.881 18.056 19.000 -0.105 0.000 0.819 309 A HN 0.582 nan 8.150 nan 0.000 0.442 310 L N -0.244 120.960 121.223 -0.031 0.000 2.005 310 L HA 0.008 4.349 4.340 0.001 0.000 0.207 310 L C 2.622 179.504 176.870 0.019 0.000 1.072 310 L CA 2.303 57.133 54.840 -0.016 0.000 0.744 310 L CB -0.722 41.336 42.059 -0.001 0.000 0.895 310 L HN 0.299 nan 8.230 nan 0.000 0.433 311 A N -1.135 121.713 122.820 0.046 0.000 1.940 311 A HA -0.212 4.109 4.320 0.001 0.000 0.219 311 A C 2.386 180.036 177.584 0.111 0.000 1.176 311 A CA 2.153 54.230 52.037 0.068 0.000 0.631 311 A CB -0.994 18.042 19.000 0.059 0.000 0.814 311 A HN 0.583 nan 8.150 nan 0.000 0.446 312 S N -0.558 115.226 115.700 0.139 0.000 2.357 312 S HA -0.078 4.393 4.470 0.001 0.000 0.221 312 S C 2.009 176.738 174.600 0.215 0.000 1.031 312 S CA 1.359 59.697 58.200 0.230 0.000 0.982 312 S CB -0.159 63.221 63.200 0.299 0.000 0.853 312 S HN 0.444 nan 8.310 nan 0.000 0.458 313 K N 2.040 122.497 120.400 0.095 0.000 2.148 313 K HA 0.211 4.531 4.320 0.001 0.000 0.204 313 K C 2.026 178.661 176.600 0.059 0.000 1.050 313 K CA 1.046 57.374 56.287 0.069 0.000 0.942 313 K CB -0.929 31.508 32.500 -0.105 0.000 0.724 313 K HN 0.331 nan 8.250 nan 0.000 0.446 314 A N 0.479 123.320 122.820 0.036 0.000 1.969 314 A HA -0.115 4.206 4.320 0.001 0.000 0.218 314 A C 2.076 179.762 177.584 0.169 0.000 1.169 314 A CA 2.216 54.286 52.037 0.054 0.000 0.635 314 A CB -0.571 18.466 19.000 0.062 0.000 0.810 314 A HN 0.460 nan 8.150 nan 0.000 0.445 315 T N -5.746 108.924 114.554 0.193 0.000 2.990 315 T HA 0.429 4.780 4.350 0.001 0.000 0.249 315 T C 1.419 176.295 174.700 0.295 0.000 1.039 315 T CA 1.106 63.343 62.100 0.228 0.000 1.036 315 T CB 0.363 69.347 68.868 0.194 0.000 0.994 315 T HN 1.650 nan 8.240 nan 0.000 0.489 316 G N 1.203 110.218 108.800 0.357 0.000 2.157 316 G HA2 -0.206 3.755 3.960 0.001 0.000 0.248 316 G HA3 -0.206 3.755 3.960 0.001 0.000 0.248 316 G C -0.230 174.929 174.900 0.433 0.000 0.979 316 G CA -0.105 45.255 45.100 0.433 0.000 0.650 316 G HN 0.595 nan 8.290 nan 0.000 0.529 317 F N 3.184 123.290 119.950 0.259 0.000 2.371 317 F HA 0.579 5.107 4.527 0.001 0.000 0.363 317 F C -1.851 174.076 175.800 0.211 0.000 1.122 317 F CA -3.081 55.044 58.000 0.208 0.000 1.129 317 F CB 1.525 40.575 39.000 0.083 0.000 1.173 317 F HN -0.086 nan 8.300 nan 0.000 0.489 318 P HA 0.088 nan 4.420 nan 0.000 0.252 318 P C 1.142 178.564 177.300 0.203 0.000 1.694 318 P CA 0.487 63.683 63.100 0.160 0.000 1.163 318 P CB -0.226 31.501 31.700 0.045 0.000 1.934 319 I N 1.758 122.553 120.570 0.374 0.000 2.052 319 I HA -0.350 3.821 4.170 0.001 0.000 0.235 319 I C 2.405 178.632 176.117 0.183 0.000 1.046 319 I CA 2.042 63.545 61.300 0.339 0.000 1.308 319 I CB -1.022 37.137 38.000 0.264 0.000 1.031 319 I HN 0.167 nan 8.210 nan 0.000 0.395 320 A N 0.281 123.164 122.820 0.104 0.000 1.948 320 A HA -0.281 4.040 4.320 0.001 0.000 0.220 320 A C 2.340 179.917 177.584 -0.012 0.000 1.177 320 A CA 2.090 54.142 52.037 0.025 0.000 0.636 320 A CB -0.630 18.345 19.000 -0.042 0.000 0.815 320 A HN 0.370 nan 8.150 nan 0.000 0.449 321 K N -0.735 119.643 120.400 -0.037 0.000 2.009 321 K HA -0.102 4.219 4.320 0.001 0.000 0.210 321 K C 1.927 178.507 176.600 -0.034 0.000 1.049 321 K CA 1.638 57.892 56.287 -0.056 0.000 0.929 321 K CB -0.334 32.124 32.500 -0.069 0.000 0.714 321 K HN 0.274 nan 8.250 nan 0.000 0.440 322 V N 0.895 120.813 119.914 0.005 0.000 2.261 322 V HA -0.268 3.852 4.120 0.001 0.000 0.246 322 V C 2.273 178.403 176.094 0.061 0.000 1.047 322 V CA 2.065 64.384 62.300 0.033 0.000 1.015 322 V CB -0.658 31.236 31.823 0.119 0.000 0.642 322 V HN 0.454 nan 8.190 nan 0.000 0.446 323 A N -0.100 122.771 122.820 0.086 0.000 1.917 323 A HA -0.210 4.110 4.320 0.001 0.000 0.219 323 A C 2.418 180.027 177.584 0.040 0.000 1.182 323 A CA 2.422 54.504 52.037 0.074 0.000 0.633 323 A CB -0.879 18.167 19.000 0.077 0.000 0.819 323 A HN 0.607 nan 8.150 nan 0.000 0.448 324 A N -0.144 122.683 122.820 0.012 0.000 1.851 324 A HA -0.210 4.111 4.320 0.001 0.000 0.216 324 A C 2.108 179.685 177.584 -0.012 0.000 1.195 324 A CA 1.890 53.917 52.037 -0.017 0.000 0.622 324 A CB -0.567 18.408 19.000 -0.041 0.000 0.831 324 A HN 0.524 nan 8.150 nan 0.000 0.444 325 K N -1.035 119.353 120.400 -0.020 0.000 2.160 325 K HA -0.143 4.178 4.320 0.001 0.000 0.206 325 K C 1.664 178.370 176.600 0.177 0.000 1.047 325 K CA 1.264 57.552 56.287 0.002 0.000 0.930 325 K CB -0.350 32.025 32.500 -0.208 0.000 0.720 325 K HN 0.313 nan 8.250 nan 0.000 0.450 326 L N 0.294 121.587 121.223 0.117 0.000 2.291 326 L HA -0.036 4.305 4.340 0.001 0.000 0.214 326 L C 2.062 178.990 176.870 0.098 0.000 1.120 326 L CA 1.138 56.059 54.840 0.137 0.000 0.799 326 L CB -0.543 41.578 42.059 0.102 0.000 0.925 326 L HN 0.080 nan 8.230 nan 0.000 0.446 327 A N -1.060 121.797 122.820 0.062 0.000 2.167 327 A HA 0.031 4.352 4.320 0.001 0.000 0.214 327 A C 1.541 179.130 177.584 0.008 0.000 1.151 327 A CA 1.018 53.070 52.037 0.024 0.000 0.735 327 A CB -0.423 18.575 19.000 -0.004 0.000 0.802 327 A HN 0.241 nan 8.150 nan 0.000 0.467 328 V N -4.182 115.753 119.914 0.036 0.000 3.099 328 V HA 0.590 4.710 4.120 0.001 0.000 0.356 328 V C 1.028 177.146 176.094 0.039 0.000 1.364 328 V CA 0.253 62.560 62.300 0.012 0.000 1.229 328 V CB -0.908 30.861 31.823 -0.090 0.000 1.227 328 V HN 1.198 nan 8.190 nan 0.000 0.493 329 G N -0.496 108.332 108.800 0.046 0.000 2.148 329 G HA2 -0.324 3.637 3.960 0.001 0.000 0.254 329 G HA3 -0.324 3.637 3.960 0.001 0.000 0.254 329 G C -0.125 174.776 174.900 0.002 0.000 0.981 329 G CA 0.414 45.519 45.100 0.009 0.000 0.670 329 G HN 0.627 nan 8.290 nan 0.000 0.528 330 Y N 1.484 121.812 120.300 0.046 0.000 2.357 330 Y HA 0.444 4.995 4.550 0.001 0.000 0.340 330 Y C 1.552 177.482 175.900 0.050 0.000 1.260 330 Y CA 0.969 59.101 58.100 0.052 0.000 1.425 330 Y CB 0.874 39.367 38.460 0.056 0.000 1.326 330 Y HN 0.315 nan 8.280 nan 0.000 0.580 331 T N -0.839 113.842 114.554 0.211 0.000 2.912 331 T HA 0.381 4.732 4.350 0.001 0.000 0.288 331 T C 0.805 175.598 174.700 0.155 0.000 1.030 331 T CA -0.908 61.279 62.100 0.145 0.000 1.020 331 T CB 1.072 69.998 68.868 0.096 0.000 1.056 331 T HN 0.630 nan 8.240 nan 0.000 0.480 332 L N 1.024 122.329 121.223 0.137 0.000 2.013 332 L HA -0.135 4.205 4.340 0.001 0.000 0.212 332 L C 2.606 179.561 176.870 0.142 0.000 1.073 332 L CA 1.950 56.880 54.840 0.151 0.000 0.753 332 L CB -0.654 41.499 42.059 0.158 0.000 0.890 332 L HN 0.824 nan 8.230 nan 0.000 0.432 333 D N -0.420 120.052 120.400 0.120 0.000 2.178 333 D HA -0.230 4.411 4.640 0.001 0.000 0.201 333 D C 1.751 178.106 176.300 0.092 0.000 0.980 333 D CA 1.195 55.255 54.000 0.100 0.000 0.842 333 D CB -0.381 40.467 40.800 0.080 0.000 0.948 333 D HN 0.452 nan 8.370 nan 0.000 0.472 334 E N 0.109 120.377 120.200 0.113 0.000 2.047 334 E HA 0.006 4.357 4.350 0.001 0.000 0.191 334 E C 0.659 177.330 176.600 0.118 0.000 0.987 334 E CA 0.227 56.706 56.400 0.132 0.000 0.799 334 E CB 0.050 29.873 29.700 0.206 0.000 0.752 334 E HN 0.310 nan 8.360 nan 0.000 0.449 335 L N 1.938 123.225 121.223 0.108 0.000 2.416 335 L HA 0.068 4.409 4.340 0.001 0.000 0.272 335 L C 0.349 177.235 176.870 0.027 0.000 1.161 335 L CA -0.263 54.602 54.840 0.042 0.000 0.845 335 L CB 0.310 42.381 42.059 0.020 0.000 1.119 335 L HN 0.103 nan 8.230 nan 0.000 0.464 336 M N 2.501 122.095 119.600 -0.011 0.000 2.342 336 M HA 0.193 4.674 4.480 0.001 0.000 0.332 336 M C -0.061 176.211 176.300 -0.046 0.000 1.166 336 M CA -0.737 54.545 55.300 -0.030 0.000 1.086 336 M CB 0.944 33.520 32.600 -0.039 0.000 1.541 336 M HN 0.396 nan 8.290 nan 0.000 0.462 337 N N 2.001 120.662 118.700 -0.064 0.000 2.401 337 N HA 0.030 4.770 4.740 0.001 0.000 0.255 337 N C 0.354 175.817 175.510 -0.079 0.000 1.110 337 N CA 0.254 53.267 53.050 -0.062 0.000 0.949 337 N CB 0.416 38.866 38.487 -0.061 0.000 1.110 337 N HN 0.392 nan 8.380 nan 0.000 0.490 338 D N 2.964 123.326 120.400 -0.064 0.000 2.205 338 D HA -0.259 4.382 4.640 0.001 0.000 0.190 338 D C 1.803 178.031 176.300 -0.119 0.000 1.002 338 D CA 2.062 56.035 54.000 -0.046 0.000 0.848 338 D CB -0.297 40.545 40.800 0.069 0.000 0.975 338 D HN 0.815 nan 8.370 nan 0.000 0.449 339 I N -0.339 120.110 120.570 -0.202 0.000 2.530 339 I HA -0.161 4.010 4.170 0.001 0.000 0.257 339 I C 1.172 177.222 176.117 -0.111 0.000 1.179 339 I CA 1.656 62.818 61.300 -0.230 0.000 1.440 339 I CB -0.543 37.264 38.000 -0.322 0.000 1.087 339 I HN -0.078 nan 8.210 nan 0.000 0.440 340 T N -1.038 113.461 114.554 -0.092 0.000 3.312 340 T HA 0.472 4.823 4.350 0.001 0.000 0.251 340 T C 1.252 175.903 174.700 -0.082 0.000 1.012 340 T CA 0.054 62.107 62.100 -0.078 0.000 0.925 340 T CB -0.434 68.348 68.868 -0.144 0.000 1.049 340 T HN 0.725 nan 8.240 nan 0.000 0.583 341 G N 1.177 109.935 108.800 -0.071 0.000 2.323 341 G HA2 0.043 4.004 3.960 0.001 0.000 0.292 341 G HA3 0.043 4.004 3.960 0.001 0.000 0.292 341 G C 1.055 175.917 174.900 -0.063 0.000 1.040 341 G CA -0.046 45.022 45.100 -0.054 0.000 0.942 341 G HN 1.678 nan 8.290 nan 0.000 0.506 342 G N -1.086 107.668 108.800 -0.077 0.000 2.337 342 G HA2 -0.376 3.584 3.960 0.001 0.000 0.290 342 G HA3 -0.376 3.584 3.960 0.001 0.000 0.290 342 G C 1.221 176.059 174.900 -0.102 0.000 1.003 342 G CA 1.409 46.461 45.100 -0.079 0.000 0.825 342 G HN 0.976 nan 8.290 nan 0.000 0.509 343 R N -0.445 119.969 120.500 -0.144 0.000 2.119 343 R HA 0.146 4.487 4.340 0.001 0.000 0.222 343 R C 1.752 177.894 176.300 -0.263 0.000 1.088 343 R CA 1.482 57.474 56.100 -0.179 0.000 0.984 343 R CB 0.020 30.209 30.300 -0.186 0.000 0.884 343 R HN 0.621 nan 8.270 nan 0.000 0.447 344 T N -1.360 112.996 114.554 -0.329 0.000 2.924 344 T HA 0.485 4.836 4.350 0.001 0.000 0.291 344 T C -2.821 171.747 174.700 -0.220 0.000 1.045 344 T CA -2.640 59.235 62.100 -0.376 0.000 1.015 344 T CB 2.695 71.154 68.868 -0.681 0.000 1.103 344 T HN -0.236 nan 8.240 nan 0.000 0.496 345 P HA 0.334 nan 4.420 nan 0.000 0.274 345 P C 0.426 177.819 177.300 0.156 0.000 1.237 345 P CA -0.515 62.592 63.100 0.012 0.000 0.793 345 P CB 0.572 32.308 31.700 0.059 0.000 0.977 346 A N 1.362 124.304 122.820 0.203 0.000 2.206 346 A HA -0.003 4.318 4.320 0.001 0.000 0.211 346 A C 1.054 178.943 177.584 0.508 0.000 1.158 346 A CA 0.597 52.845 52.037 0.352 0.000 0.761 346 A CB -1.171 17.918 19.000 0.147 0.000 0.801 346 A HN 0.580 nan 8.150 nan 0.000 0.473 347 S N 0.771 116.696 115.700 0.376 0.000 3.483 347 S HA 0.556 5.027 4.470 0.001 0.000 0.274 347 S C -0.387 174.451 174.600 0.397 0.000 1.289 347 S CA -0.561 57.821 58.200 0.304 0.000 0.938 347 S CB -1.136 62.177 63.200 0.187 0.000 1.453 347 S HN 0.865 nan 8.310 nan 0.000 0.494 348 F N -1.663 118.378 119.950 0.151 0.000 2.858 348 F HA 0.656 5.184 4.527 0.001 0.000 0.319 348 F C -1.438 174.422 175.800 0.100 0.000 1.166 348 F CA -1.314 56.756 58.000 0.117 0.000 0.899 348 F CB 0.722 39.794 39.000 0.121 0.000 1.332 348 F HN 0.222 nan 8.300 nan 0.000 0.461 349 E N 2.346 122.502 120.200 -0.073 0.000 2.151 349 E HA 0.442 4.793 4.350 0.001 0.000 0.275 349 E C -2.656 173.869 176.600 -0.125 0.000 0.936 349 E CA -2.047 54.211 56.400 -0.236 0.000 0.777 349 E CB 1.741 31.405 29.700 -0.059 0.000 1.108 349 E HN 0.305 nan 8.360 nan 0.000 0.401 350 P HA 0.026 nan 4.420 nan 0.000 0.271 350 P C -0.826 176.515 177.300 0.067 0.000 1.218 350 P CA -0.225 62.911 63.100 0.060 0.000 0.780 350 P CB 0.890 32.621 31.700 0.052 0.000 0.901 351 S N 1.710 117.482 115.700 0.119 0.000 2.594 351 S HA 0.723 5.194 4.470 0.001 0.000 0.296 351 S C -0.546 174.019 174.600 -0.059 0.000 1.124 351 S CA -0.778 57.430 58.200 0.013 0.000 1.011 351 S CB -0.122 63.097 63.200 0.032 0.000 1.016 351 S HN 0.354 nan 8.310 nan 0.000 0.485 352 I N 1.803 122.249 120.570 -0.208 0.000 2.530 352 I HA 0.660 4.830 4.170 0.001 0.000 0.297 352 I C -0.636 175.183 176.117 -0.497 0.000 1.011 352 I CA -0.905 60.094 61.300 -0.501 0.000 1.107 352 I CB 2.124 39.605 38.000 -0.866 0.000 1.285 352 I HN 0.484 nan 8.210 nan 0.000 0.436 353 D N 4.798 124.894 120.400 -0.507 0.000 2.895 353 D HA 0.258 4.899 4.640 0.001 0.000 0.258 353 D C -0.585 175.704 176.300 -0.017 0.000 1.311 353 D CA -0.141 53.755 54.000 -0.173 0.000 0.843 353 D CB -0.304 40.501 40.800 0.008 0.000 1.055 353 D HN 0.693 nan 8.370 nan 0.000 0.486 354 Y N -3.432 116.871 120.300 0.005 0.000 2.871 354 Y HA 0.656 5.206 4.550 0.001 0.000 0.331 354 Y C -1.613 174.264 175.900 -0.039 0.000 1.378 354 Y CA -1.739 56.343 58.100 -0.030 0.000 1.079 354 Y CB 0.666 39.020 38.460 -0.176 0.000 1.441 354 Y HN -0.216 nan 8.280 nan 0.000 0.446 355 V N 2.001 122.064 119.914 0.248 0.000 2.487 355 V HA 0.617 4.738 4.120 0.001 0.000 0.298 355 V C -0.742 175.445 176.094 0.156 0.000 1.028 355 V CA -0.859 61.551 62.300 0.183 0.000 0.860 355 V CB 1.498 33.434 31.823 0.188 0.000 0.991 355 V HN 0.673 nan 8.190 nan 0.000 0.427 356 V N 3.879 123.882 119.914 0.147 0.000 2.427 356 V HA 0.593 4.713 4.120 0.001 0.000 0.286 356 V C 0.222 176.367 176.094 0.085 0.000 1.034 356 V CA -0.215 62.135 62.300 0.082 0.000 0.893 356 V CB 1.813 33.680 31.823 0.072 0.000 0.982 356 V HN 0.954 nan 8.190 nan 0.000 0.452 357 T N 5.064 119.651 114.554 0.054 0.000 2.848 357 T HA 0.478 4.829 4.350 0.001 0.000 0.285 357 T C -0.597 174.116 174.700 0.021 0.000 0.995 357 T CA -0.745 61.380 62.100 0.041 0.000 0.970 357 T CB 1.635 70.515 68.868 0.020 0.000 0.976 357 T HN 0.688 nan 8.240 nan 0.000 0.441 358 K N 3.963 124.367 120.400 0.007 0.000 2.345 358 K HA 0.587 4.907 4.320 0.001 0.000 0.255 358 K C -1.574 175.007 176.600 -0.032 0.000 0.934 358 K CA -0.704 55.585 56.287 0.004 0.000 0.801 358 K CB 1.391 33.902 32.500 0.018 0.000 1.137 358 K HN 0.650 nan 8.250 nan 0.000 0.424 359 I N 5.084 125.634 120.570 -0.034 0.000 2.509 359 I HA 0.348 4.519 4.170 0.001 0.000 0.293 359 I C -2.262 173.840 176.117 -0.025 0.000 1.020 359 I CA -2.664 58.611 61.300 -0.042 0.000 1.088 359 I CB 2.343 40.302 38.000 -0.068 0.000 1.267 359 I HN 0.455 nan 8.210 nan 0.000 0.430 360 P HA 0.261 nan 4.420 nan 0.000 0.276 360 P C -1.037 176.131 177.300 -0.219 0.000 1.244 360 P CA -0.620 62.366 63.100 -0.190 0.000 0.801 360 P CB 0.692 32.166 31.700 -0.377 0.000 1.006 361 R N 1.480 121.772 120.500 -0.347 0.000 2.387 361 R HA 0.591 4.932 4.340 0.001 0.000 0.314 361 R C -1.358 174.721 176.300 -0.368 0.000 0.958 361 R CA -0.526 55.459 56.100 -0.192 0.000 0.846 361 R CB -0.392 29.846 30.300 -0.102 0.000 1.147 361 R HN 0.276 nan 8.270 nan 0.000 0.447 362 F N 1.747 121.701 119.950 0.007 0.000 2.557 362 F HA 0.478 5.005 4.527 0.001 0.000 0.336 362 F C 0.714 176.459 175.800 -0.093 0.000 1.058 362 F CA -0.840 57.101 58.000 -0.098 0.000 0.988 362 F CB 1.748 40.667 39.000 -0.136 0.000 1.275 362 F HN 0.543 nan 8.300 nan 0.000 0.488 363 N N -0.223 118.493 118.700 0.027 0.000 2.547 363 N HA 0.214 4.955 4.740 0.001 0.000 0.285 363 N C 0.359 175.900 175.510 0.052 0.000 1.600 363 N CA 0.008 53.084 53.050 0.043 0.000 0.872 363 N CB 0.127 38.663 38.487 0.082 0.000 1.412 363 N HN 0.369 nan 8.380 nan 0.000 0.489 364 F N 1.787 121.838 119.950 0.168 0.000 2.202 364 F HA -0.205 4.323 4.527 0.001 0.000 0.301 364 F C 2.683 178.483 175.800 -0.001 0.000 1.082 364 F CA 1.069 59.113 58.000 0.073 0.000 1.313 364 F CB -0.014 38.992 39.000 0.009 0.000 1.024 364 F HN 0.333 nan 8.300 nan 0.000 0.495 365 E N 0.927 121.202 120.200 0.125 0.000 2.333 365 E HA -0.219 4.132 4.350 0.001 0.000 0.198 365 E C 1.467 178.003 176.600 -0.106 0.000 1.007 365 E CA 1.212 57.623 56.400 0.018 0.000 0.845 365 E CB -0.617 29.085 29.700 0.004 0.000 0.766 365 E HN 0.403 nan 8.360 nan 0.000 0.507 366 K N -0.395 119.832 120.400 -0.289 0.000 2.379 366 K HA 0.118 4.438 4.320 0.001 0.000 0.194 366 K C -0.275 175.772 176.600 -0.921 0.000 1.031 366 K CA 0.133 56.039 56.287 -0.636 0.000 1.037 366 K CB 0.264 32.224 32.500 -0.901 0.000 0.824 366 K HN 0.035 nan 8.250 nan 0.000 0.516 367 F N -0.019 119.903 119.950 -0.046 0.000 2.523 367 F HA 0.339 4.867 4.527 0.001 0.000 0.322 367 F C 0.976 176.762 175.800 -0.023 0.000 1.361 367 F CA -0.983 56.978 58.000 -0.065 0.000 1.151 367 F CB 0.293 39.076 39.000 -0.362 0.000 1.391 367 F HN -0.137 nan 8.300 nan 0.000 0.566 368 A N 1.568 124.452 122.820 0.106 0.000 1.877 368 A HA -0.214 4.106 4.320 0.001 0.000 0.218 368 A C 2.416 180.052 177.584 0.085 0.000 1.301 368 A CA 2.175 54.262 52.037 0.084 0.000 0.699 368 A CB -1.317 17.730 19.000 0.078 0.000 0.844 368 A HN 0.723 nan 8.150 nan 0.000 0.464 369 G N -0.707 108.150 108.800 0.095 0.000 2.959 369 G HA2 0.359 4.320 3.960 0.001 0.000 0.203 369 G HA3 0.359 4.320 3.960 0.001 0.000 0.203 369 G C 0.470 175.422 174.900 0.086 0.000 1.176 369 G CA 0.808 45.953 45.100 0.076 0.000 0.860 369 G HN 0.951 nan 8.290 nan 0.000 0.507 370 A N 0.089 122.968 122.820 0.099 0.000 2.286 370 A HA 0.492 4.813 4.320 0.001 0.000 0.286 370 A C 0.464 178.067 177.584 0.032 0.000 1.097 370 A CA -0.730 51.368 52.037 0.103 0.000 0.821 370 A CB 0.475 19.507 19.000 0.053 0.000 1.076 370 A HN 0.253 nan 8.150 nan 0.000 0.490 371 N N 0.888 119.627 118.700 0.065 0.000 2.411 371 N HA 0.052 4.793 4.740 0.001 0.000 0.259 371 N C -0.790 174.630 175.510 -0.150 0.000 1.103 371 N CA -0.045 52.993 53.050 -0.020 0.000 0.954 371 N CB 0.972 39.480 38.487 0.037 0.000 1.085 371 N HN 0.572 nan 8.380 nan 0.000 0.485 372 D N 2.301 122.448 120.400 -0.421 0.000 2.388 372 D HA 0.089 4.730 4.640 0.001 0.000 0.221 372 D C -0.133 175.722 176.300 -0.742 0.000 1.133 372 D CA -0.169 53.179 54.000 -1.087 0.000 0.831 372 D CB 0.187 40.270 40.800 -1.196 0.000 0.962 372 D HN 0.211 nan 8.370 nan 0.000 0.502 373 R N 0.764 121.071 120.500 -0.323 0.000 2.404 373 R HA 0.416 4.757 4.340 0.001 0.000 0.291 373 R C 0.268 176.545 176.300 -0.037 0.000 1.025 373 R CA -0.700 55.297 56.100 -0.171 0.000 0.991 373 R CB 1.384 31.626 30.300 -0.096 0.000 1.053 373 R HN 0.181 nan 8.270 nan 0.000 0.479 374 L N 1.283 122.511 121.223 0.008 0.000 2.380 374 L HA 0.278 4.619 4.340 0.001 0.000 0.273 374 L C 1.239 178.193 176.870 0.140 0.000 1.138 374 L CA 0.203 55.119 54.840 0.127 0.000 0.832 374 L CB 0.799 42.941 42.059 0.138 0.000 1.124 374 L HN 0.673 nan 8.230 nan 0.000 0.454 375 T N -1.155 113.505 114.554 0.178 0.000 2.584 375 T HA 0.168 4.519 4.350 0.001 0.000 0.273 375 T C 0.868 175.670 174.700 0.170 0.000 0.978 375 T CA 0.392 62.587 62.100 0.157 0.000 1.159 375 T CB 1.086 70.038 68.868 0.141 0.000 1.556 375 T HN 0.703 nan 8.240 nan 0.000 0.472 376 T N -0.449 114.187 114.554 0.136 0.000 3.100 376 T HA 0.237 4.587 4.350 0.001 0.000 0.253 376 T C 0.640 175.456 174.700 0.193 0.000 1.118 376 T CA 0.196 62.389 62.100 0.155 0.000 1.058 376 T CB -0.092 68.823 68.868 0.078 0.000 0.953 376 T HN 0.516 nan 8.240 nan 0.000 0.515 377 Q N 0.959 120.831 119.800 0.119 0.000 2.293 377 Q HA 0.458 4.799 4.340 0.001 0.000 0.261 377 Q C -0.693 175.300 176.000 -0.012 0.000 0.960 377 Q CA -0.701 55.123 55.803 0.036 0.000 0.882 377 Q CB 1.360 30.100 28.738 0.003 0.000 1.275 377 Q HN 0.371 nan 8.270 nan 0.000 0.445 378 M N 3.406 122.878 119.600 -0.214 0.000 2.249 378 M HA -0.021 4.460 4.480 0.001 0.000 0.340 378 M C 0.313 176.583 176.300 -0.050 0.000 1.166 378 M CA 1.235 56.413 55.300 -0.203 0.000 1.115 378 M CB 0.491 32.848 32.600 -0.405 0.000 1.606 378 M HN 0.623 nan 8.290 nan 0.000 0.448 379 K N 0.145 120.609 120.400 0.108 0.000 2.521 379 K HA 0.116 4.436 4.320 0.001 0.000 0.213 379 K C 0.113 176.777 176.600 0.107 0.000 1.223 379 K CA -0.121 56.294 56.287 0.213 0.000 1.013 379 K CB 0.833 33.682 32.500 0.581 0.000 1.017 379 K HN 0.763 nan 8.250 nan 0.000 0.591 380 S N 0.170 115.818 115.700 -0.087 0.000 2.632 380 S HA 0.168 4.638 4.470 0.001 0.000 0.267 380 S C 1.146 175.587 174.600 -0.265 0.000 1.276 380 S CA -0.557 57.361 58.200 -0.470 0.000 0.998 380 S CB 1.585 64.169 63.200 -1.027 0.000 0.953 380 S HN 0.024 nan 8.310 nan 0.000 0.547 381 V N -1.939 117.820 119.914 -0.259 0.000 3.635 381 V HA 0.647 4.768 4.120 0.001 0.000 0.266 381 V C 0.732 176.748 176.094 -0.131 0.000 1.316 381 V CA 0.718 62.936 62.300 -0.137 0.000 1.060 381 V CB -0.573 31.215 31.823 -0.057 0.000 0.820 381 V HN 1.144 nan 8.190 nan 0.000 0.447 382 G N 0.503 109.195 108.800 -0.180 0.000 2.706 382 G HA2 0.684 4.645 3.960 0.001 0.000 0.307 382 G HA3 0.684 4.645 3.960 0.001 0.000 0.307 382 G C -1.667 173.144 174.900 -0.148 0.000 1.307 382 G CA -0.006 45.017 45.100 -0.128 0.000 0.790 382 G HN 0.704 nan 8.290 nan 0.000 0.503 383 E N -1.892 118.253 120.200 -0.093 0.000 2.388 383 E HA 0.542 4.893 4.350 0.001 0.000 0.281 383 E C -2.188 174.395 176.600 -0.028 0.000 1.046 383 E CA -0.848 55.509 56.400 -0.072 0.000 0.825 383 E CB 2.132 31.793 29.700 -0.064 0.000 1.243 383 E HN 0.780 nan 8.360 nan 0.000 0.438 384 V N 2.825 122.736 119.914 -0.006 0.000 2.919 384 V HA 0.754 4.875 4.120 0.001 0.000 0.316 384 V C -0.856 175.282 176.094 0.072 0.000 1.077 384 V CA -0.768 61.548 62.300 0.026 0.000 0.977 384 V CB 1.934 33.766 31.823 0.016 0.000 1.039 384 V HN 0.844 nan 8.190 nan 0.000 0.441 385 M N 4.715 124.414 119.600 0.166 0.000 2.501 385 M HA 0.864 5.344 4.480 0.001 0.000 0.293 385 M C -1.309 175.184 176.300 0.322 0.000 1.192 385 M CA -0.491 54.949 55.300 0.233 0.000 0.886 385 M CB 2.066 34.836 32.600 0.284 0.000 1.710 385 M HN 0.857 nan 8.290 nan 0.000 0.457 386 A N 4.237 127.169 122.820 0.186 0.000 2.539 386 A HA 0.866 5.186 4.320 0.001 0.000 0.296 386 A C -1.655 175.952 177.584 0.038 0.000 1.073 386 A CA -0.753 51.385 52.037 0.168 0.000 0.700 386 A CB 1.570 20.625 19.000 0.092 0.000 1.296 386 A HN 0.855 nan 8.150 nan 0.000 0.405 387 I N 0.907 121.463 120.570 -0.024 0.000 2.465 387 I HA 0.694 4.864 4.170 0.001 0.000 0.291 387 I C 0.447 176.443 176.117 -0.201 0.000 1.014 387 I CA -0.553 60.565 61.300 -0.305 0.000 1.093 387 I CB 2.345 39.840 38.000 -0.842 0.000 1.267 387 I HN 0.815 nan 8.210 nan 0.000 0.431 388 G N 3.876 112.586 108.800 -0.151 0.000 2.704 388 G HA2 0.360 4.321 3.960 0.001 0.000 0.293 388 G HA3 0.360 4.321 3.960 0.001 0.000 0.293 388 G C 0.073 175.036 174.900 0.104 0.000 1.421 388 G CA -0.534 44.593 45.100 0.044 0.000 0.870 388 G HN 0.459 nan 8.290 nan 0.000 0.492 389 R N -0.714 119.911 120.500 0.210 0.000 2.189 389 R HA 0.022 4.363 4.340 0.001 0.000 0.223 389 R C 1.099 177.500 176.300 0.168 0.000 1.092 389 R CA 1.399 57.635 56.100 0.226 0.000 0.989 389 R CB -0.243 30.191 30.300 0.223 0.000 0.876 389 R HN 0.711 nan 8.270 nan 0.000 0.457 390 T N -3.749 110.890 114.554 0.142 0.000 2.916 390 T HA 0.222 4.573 4.350 0.001 0.000 0.292 390 T C 0.711 175.489 174.700 0.130 0.000 1.064 390 T CA -0.898 61.279 62.100 0.128 0.000 1.011 390 T CB 2.275 71.198 68.868 0.092 0.000 1.152 390 T HN -0.208 nan 8.240 nan 0.000 0.510 391 Q N 0.489 120.381 119.800 0.154 0.000 2.084 391 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 391 Q C 2.202 178.266 176.000 0.107 0.000 0.978 391 Q CA 1.938 57.852 55.803 0.184 0.000 0.844 391 Q CB -0.491 28.405 28.738 0.262 0.000 0.898 391 Q HN 0.801 nan 8.270 nan 0.000 0.426 392 Q N -0.216 119.611 119.800 0.045 0.000 2.050 392 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 392 Q C 2.015 178.008 176.000 -0.013 0.000 0.980 392 Q CA 1.645 57.450 55.803 0.003 0.000 0.840 392 Q CB -0.121 28.592 28.738 -0.041 0.000 0.898 392 Q HN 0.565 nan 8.270 nan 0.000 0.424 393 E N -0.153 120.057 120.200 0.017 0.000 2.051 393 E HA -0.206 4.145 4.350 0.001 0.000 0.192 393 E C 2.066 178.687 176.600 0.035 0.000 0.991 393 E CA 1.286 57.703 56.400 0.030 0.000 0.799 393 E CB -0.090 29.660 29.700 0.083 0.000 0.748 393 E HN 0.134 nan 8.360 nan 0.000 0.449 394 S N -0.137 115.595 115.700 0.054 0.000 2.353 394 S HA -0.185 4.285 4.470 0.001 0.000 0.222 394 S C 1.919 176.527 174.600 0.013 0.000 1.035 394 S CA 1.326 59.554 58.200 0.046 0.000 1.025 394 S CB -0.404 62.842 63.200 0.077 0.000 0.902 394 S HN 0.340 nan 8.310 nan 0.000 0.440 395 L N 1.912 123.137 121.223 0.004 0.000 2.017 395 L HA -0.083 4.258 4.340 0.001 0.000 0.208 395 L C 2.480 179.263 176.870 -0.144 0.000 1.073 395 L CA 1.939 56.739 54.840 -0.066 0.000 0.745 395 L CB -0.971 41.078 42.059 -0.015 0.000 0.894 395 L HN 0.371 nan 8.230 nan 0.000 0.432 396 Q N -0.537 119.188 119.800 -0.124 0.000 2.084 396 Q HA -0.252 4.088 4.340 0.001 0.000 0.202 396 Q C 2.268 178.203 176.000 -0.109 0.000 0.978 396 Q CA 1.858 57.555 55.803 -0.176 0.000 0.844 396 Q CB -0.152 28.474 28.738 -0.185 0.000 0.898 396 Q HN 0.564 nan 8.270 nan 0.000 0.426 397 K N 0.386 120.761 120.400 -0.042 0.000 2.057 397 K HA -0.128 4.193 4.320 0.001 0.000 0.207 397 K C 2.113 178.712 176.600 -0.001 0.000 1.049 397 K CA 1.173 57.465 56.287 0.008 0.000 0.931 397 K CB -0.177 32.358 32.500 0.058 0.000 0.714 397 K HN 0.132 nan 8.250 nan 0.000 0.440 398 A N 1.410 124.215 122.820 -0.024 0.000 1.902 398 A HA -0.153 4.167 4.320 0.001 0.000 0.217 398 A C 2.118 179.669 177.584 -0.055 0.000 1.181 398 A CA 1.285 53.305 52.037 -0.028 0.000 0.623 398 A CB -0.684 18.285 19.000 -0.052 0.000 0.818 398 A HN 0.166 nan 8.150 nan 0.000 0.443 399 L N -0.428 120.717 121.223 -0.130 0.000 2.012 399 L HA -0.252 4.088 4.340 0.001 0.000 0.210 399 L C 2.825 179.703 176.870 0.012 0.000 1.073 399 L CA 2.079 56.847 54.840 -0.119 0.000 0.748 399 L CB -0.498 41.375 42.059 -0.311 0.000 0.891 399 L HN 0.620 nan 8.230 nan 0.000 0.431 400 R N -0.100 120.394 120.500 -0.009 0.000 2.236 400 R HA 0.015 4.355 4.340 0.001 0.000 0.208 400 R C 1.912 178.226 176.300 0.024 0.000 1.036 400 R CA 0.996 57.110 56.100 0.023 0.000 1.001 400 R CB -0.606 29.707 30.300 0.023 0.000 0.896 400 R HN 0.207 nan 8.270 nan 0.000 0.464 401 G N 0.909 109.721 108.800 0.019 0.000 2.880 401 G HA2 -0.086 3.875 3.960 0.001 0.000 0.209 401 G HA3 -0.086 3.875 3.960 0.001 0.000 0.209 401 G C 1.143 176.051 174.900 0.013 0.000 1.157 401 G CA -0.215 44.894 45.100 0.015 0.000 0.779 401 G HN 0.210 nan 8.290 nan 0.000 0.539 402 L N 0.669 121.912 121.223 0.035 0.000 2.201 402 L HA 0.095 4.436 4.340 0.001 0.000 0.212 402 L C 1.146 178.038 176.870 0.037 0.000 1.105 402 L CA 1.039 55.910 54.840 0.051 0.000 0.775 402 L CB -0.201 41.927 42.059 0.116 0.000 0.913 402 L HN 0.416 nan 8.230 nan 0.000 0.440 403 E N -1.090 119.125 120.200 0.024 0.000 2.358 403 E HA -0.175 4.176 4.350 0.001 0.000 0.246 403 E C 0.488 177.085 176.600 -0.006 0.000 1.127 403 E CA 0.692 57.092 56.400 -0.001 0.000 0.726 403 E CB -2.449 27.241 29.700 -0.017 0.000 1.272 403 E HN 0.470 nan 8.360 nan 0.000 0.390 404 V N -3.537 116.375 119.914 -0.004 0.000 3.176 404 V HA 0.607 4.728 4.120 0.001 0.000 0.332 404 V C 1.233 177.263 176.094 -0.106 0.000 1.414 404 V CA 0.829 63.102 62.300 -0.045 0.000 1.133 404 V CB 0.650 32.455 31.823 -0.031 0.000 1.088 404 V HN 0.715 nan 8.190 nan 0.000 0.473 405 G N 0.094 108.849 108.800 -0.074 0.000 2.175 405 G HA2 -0.062 3.899 3.960 0.001 0.000 0.244 405 G HA3 -0.062 3.899 3.960 0.001 0.000 0.244 405 G C 0.437 175.289 174.900 -0.080 0.000 0.982 405 G CA 0.173 45.222 45.100 -0.085 0.000 0.641 405 G HN 1.713 nan 8.290 nan 0.000 0.527 406 A N 0.137 122.923 122.820 -0.056 0.000 2.340 406 A HA 0.749 5.070 4.320 0.001 0.000 0.268 406 A C 1.450 179.065 177.584 0.052 0.000 1.100 406 A CA 1.229 53.273 52.037 0.013 0.000 0.803 406 A CB 0.582 19.689 19.000 0.178 0.000 1.043 406 A HN 1.372 nan 8.150 nan 0.000 0.488 407 T N -1.307 113.290 114.554 0.071 0.000 3.001 407 T HA 0.527 4.878 4.350 0.001 0.000 0.251 407 T C 0.941 175.689 174.700 0.080 0.000 1.040 407 T CA 0.973 63.114 62.100 0.068 0.000 0.985 407 T CB 0.083 68.992 68.868 0.068 0.000 1.011 407 T HN 2.075 nan 8.240 nan 0.000 0.509 408 G N 1.202 110.058 108.800 0.094 0.000 2.530 408 G HA2 0.208 4.169 3.960 0.001 0.000 0.081 408 G HA3 0.208 4.169 3.960 0.001 0.000 0.081 408 G C -1.225 173.717 174.900 0.071 0.000 1.062 408 G CA -0.745 44.350 45.100 -0.007 0.000 1.108 408 G HN 0.132 nan 8.290 nan 0.000 0.466 409 F N 3.579 123.650 119.950 0.200 0.000 2.783 409 F HA 0.322 4.849 4.527 0.001 0.000 0.338 409 F C 0.324 176.308 175.800 0.308 0.000 1.178 409 F CA -0.337 57.819 58.000 0.260 0.000 1.343 409 F CB -0.665 38.418 39.000 0.139 0.000 1.496 409 F HN 0.125 nan 8.300 nan 0.000 0.583 410 D N 2.467 123.110 120.400 0.405 0.000 2.472 410 D HA 0.039 4.679 4.640 0.001 0.000 0.237 410 D C -2.211 174.192 176.300 0.172 0.000 1.141 410 D CA -0.897 53.221 54.000 0.197 0.000 0.875 410 D CB 0.155 40.977 40.800 0.037 0.000 1.192 410 D HN 0.098 nan 8.370 nan 0.000 0.450 411 P HA 0.082 nan 4.420 nan 0.000 0.271 411 P C -0.080 177.180 177.300 -0.067 0.000 1.218 411 P CA -0.359 62.765 63.100 0.041 0.000 0.780 411 P CB 1.237 32.960 31.700 0.039 0.000 0.901 412 K N 1.265 121.576 120.400 -0.150 0.000 2.262 412 K HA 0.108 4.429 4.320 0.001 0.000 0.200 412 K C 0.558 177.105 176.600 -0.087 0.000 1.058 412 K CA 0.648 56.787 56.287 -0.247 0.000 0.974 412 K CB 0.055 32.114 32.500 -0.734 0.000 0.910 412 K HN 0.440 nan 8.250 nan 0.000 0.484 413 V N -2.154 117.743 119.914 -0.027 0.000 2.994 413 V HA 0.550 4.670 4.120 0.001 0.000 0.318 413 V C 0.071 176.186 176.094 0.034 0.000 1.085 413 V CA -1.137 61.191 62.300 0.047 0.000 0.998 413 V CB 1.702 33.593 31.823 0.114 0.000 1.063 413 V HN -0.066 nan 8.190 nan 0.000 0.447 414 S N 0.033 115.755 115.700 0.037 0.000 2.586 414 S HA 0.530 5.000 4.470 0.001 0.000 0.274 414 S C 0.848 175.469 174.600 0.035 0.000 1.281 414 S CA -0.646 57.572 58.200 0.030 0.000 1.035 414 S CB 0.816 64.030 63.200 0.024 0.000 0.962 414 S HN 0.725 nan 8.310 nan 0.000 0.512 415 L N 1.921 123.164 121.223 0.033 0.000 2.201 415 L HA -0.033 4.308 4.340 0.001 0.000 0.212 415 L C 0.680 177.567 176.870 0.029 0.000 1.105 415 L CA 1.070 55.931 54.840 0.034 0.000 0.775 415 L CB -0.351 41.728 42.059 0.033 0.000 0.913 415 L HN 0.695 nan 8.230 nan 0.000 0.440 416 D N -2.122 118.293 120.400 0.025 0.000 2.895 416 D HA 0.083 4.724 4.640 0.001 0.000 0.258 416 D C -0.302 176.010 176.300 0.020 0.000 1.311 416 D CA -0.351 53.661 54.000 0.021 0.000 0.843 416 D CB -0.044 40.766 40.800 0.017 0.000 1.055 416 D HN 0.020 nan 8.370 nan 0.000 0.486 417 D N 0.485 120.899 120.400 0.024 0.000 2.471 417 D HA 0.219 4.860 4.640 0.001 0.000 0.245 417 D C -1.607 174.707 176.300 0.023 0.000 1.116 417 D CA -2.410 51.604 54.000 0.023 0.000 0.853 417 D CB 2.068 42.884 40.800 0.027 0.000 1.123 417 D HN -0.208 nan 8.370 nan 0.000 0.540 418 P HA -0.169 nan 4.420 nan 0.000 0.217 418 P C 0.616 177.924 177.300 0.014 0.000 1.151 418 P CA 1.162 64.271 63.100 0.014 0.000 0.849 418 P CB 0.313 32.019 31.700 0.010 0.000 0.787 419 E N -1.079 119.129 120.200 0.014 0.000 2.489 419 E HA 0.123 4.474 4.350 0.001 0.000 0.193 419 E C 1.925 178.536 176.600 0.019 0.000 1.057 419 E CA 0.270 56.676 56.400 0.012 0.000 0.866 419 E CB -0.162 29.543 29.700 0.007 0.000 0.916 419 E HN 0.165 nan 8.360 nan 0.000 0.500 420 A N 1.373 124.211 122.820 0.030 0.000 1.917 420 A HA -0.192 4.129 4.320 0.001 0.000 0.219 420 A C 2.148 179.759 177.584 0.045 0.000 1.182 420 A CA 1.113 53.179 52.037 0.048 0.000 0.633 420 A CB -0.554 18.479 19.000 0.054 0.000 0.819 420 A HN 0.208 nan 8.150 nan 0.000 0.448 421 L N -1.130 120.110 121.223 0.028 0.000 2.201 421 L HA -0.118 4.223 4.340 0.001 0.000 0.212 421 L C 2.699 179.571 176.870 0.003 0.000 1.105 421 L CA 1.483 56.334 54.840 0.019 0.000 0.775 421 L CB -0.510 41.558 42.059 0.014 0.000 0.913 421 L HN 0.359 nan 8.230 nan 0.000 0.440 422 T N -0.311 114.242 114.554 -0.001 0.000 2.812 422 T HA -0.129 4.222 4.350 0.001 0.000 0.264 422 T C 1.846 176.524 174.700 -0.036 0.000 1.042 422 T CA 1.096 63.186 62.100 -0.018 0.000 1.140 422 T CB 0.043 68.902 68.868 -0.015 0.000 0.870 422 T HN 0.338 nan 8.240 nan 0.000 0.445 423 K N 0.896 121.282 120.400 -0.025 0.000 2.057 423 K HA 0.018 4.338 4.320 0.001 0.000 0.207 423 K C 2.185 178.713 176.600 -0.121 0.000 1.049 423 K CA 1.135 57.385 56.287 -0.061 0.000 0.931 423 K CB -0.404 32.094 32.500 -0.003 0.000 0.714 423 K HN 0.325 nan 8.250 nan 0.000 0.440 424 I N 1.204 121.762 120.570 -0.021 0.000 2.163 424 I HA -0.287 3.884 4.170 0.001 0.000 0.243 424 I C 2.870 178.943 176.117 -0.073 0.000 1.085 424 I CA 1.161 62.464 61.300 0.006 0.000 1.347 424 I CB -0.308 37.741 38.000 0.082 0.000 1.044 424 I HN 0.195 nan 8.210 nan 0.000 0.408 425 R N 0.881 121.346 120.500 -0.058 0.000 2.094 425 R HA -0.245 4.095 4.340 0.001 0.000 0.239 425 R C 2.587 178.831 176.300 -0.094 0.000 1.137 425 R CA 1.788 57.850 56.100 -0.064 0.000 0.943 425 R CB -0.362 29.911 30.300 -0.046 0.000 0.850 425 R HN 0.239 nan 8.270 nan 0.000 0.433 426 R N 0.818 121.248 120.500 -0.116 0.000 2.083 426 R HA -0.137 4.204 4.340 0.001 0.000 0.237 426 R C 1.713 177.907 176.300 -0.176 0.000 1.137 426 R CA 1.730 57.748 56.100 -0.137 0.000 0.951 426 R CB -0.375 29.839 30.300 -0.144 0.000 0.851 426 R HN 0.278 nan 8.270 nan 0.000 0.434 427 E N 0.563 120.601 120.200 -0.269 0.000 2.204 427 E HA -0.159 4.192 4.350 0.001 0.000 0.195 427 E C 1.983 178.483 176.600 -0.167 0.000 0.990 427 E CA 0.785 56.981 56.400 -0.339 0.000 0.821 427 E CB -0.060 29.152 29.700 -0.813 0.000 0.750 427 E HN 0.227 nan 8.360 nan 0.000 0.477 428 L N 0.694 121.848 121.223 -0.116 0.000 2.127 428 L HA -0.006 4.334 4.340 0.001 0.000 0.203 428 L C 2.339 179.172 176.870 -0.062 0.000 1.080 428 L CA 1.267 56.073 54.840 -0.056 0.000 0.768 428 L CB -0.460 41.568 42.059 -0.052 0.000 0.924 428 L HN -0.050 nan 8.230 nan 0.000 0.444 429 K N -0.469 119.884 120.400 -0.078 0.000 2.057 429 K HA -0.094 4.227 4.320 0.001 0.000 0.207 429 K C -0.304 176.253 176.600 -0.071 0.000 1.049 429 K CA 1.201 57.444 56.287 -0.073 0.000 0.931 429 K CB 0.171 32.625 32.500 -0.077 0.000 0.714 429 K HN 0.258 nan 8.250 nan 0.000 0.440 430 D N 0.654 121.003 120.400 -0.086 0.000 2.438 430 D HA 0.168 4.809 4.640 0.001 0.000 0.257 430 D C -1.129 175.123 176.300 -0.080 0.000 1.148 430 D CA -0.136 53.815 54.000 -0.082 0.000 0.902 430 D CB 1.436 42.173 40.800 -0.105 0.000 1.062 430 D HN 0.202 nan 8.370 nan 0.000 0.518 431 A N 1.811 124.607 122.820 -0.040 0.000 2.567 431 A HA 0.464 4.785 4.320 0.001 0.000 0.240 431 A C 0.871 178.417 177.584 -0.062 0.000 1.053 431 A CA 0.415 52.439 52.037 -0.022 0.000 0.755 431 A CB 0.402 19.421 19.000 0.031 0.000 0.978 431 A HN 0.543 nan 8.150 nan 0.000 0.507 432 G N -0.528 108.226 108.800 -0.076 0.000 3.013 432 G HA2 0.576 4.537 3.960 0.001 0.000 0.278 432 G HA3 0.576 4.537 3.960 0.001 0.000 0.278 432 G C 0.826 175.651 174.900 -0.124 0.000 1.353 432 G CA 0.063 45.072 45.100 -0.152 0.000 1.043 432 G HN 1.329 nan 8.290 nan 0.000 0.523 433 A N -0.842 121.843 122.820 -0.224 0.000 2.119 433 A HA 0.083 4.403 4.320 0.001 0.000 0.217 433 A C 1.545 179.225 177.584 0.160 0.000 1.153 433 A CA 1.688 53.561 52.037 -0.273 0.000 0.692 433 A CB -0.141 18.599 19.000 -0.432 0.000 0.799 433 A HN 0.411 nan 8.150 nan 0.000 0.458 434 D N -0.917 119.627 120.400 0.240 0.000 2.340 434 D HA 0.014 4.654 4.640 0.001 0.000 0.220 434 D C 1.760 178.415 176.300 0.591 0.000 1.039 434 D CA 0.116 54.425 54.000 0.515 0.000 0.866 434 D CB -0.209 40.888 40.800 0.494 0.000 0.913 434 D HN 0.483 nan 8.370 nan 0.000 0.523 435 R N 0.542 121.252 120.500 0.350 0.000 2.133 435 R HA -0.231 4.109 4.340 0.001 0.000 0.245 435 R C 2.021 178.495 176.300 0.290 0.000 1.137 435 R CA 1.297 57.578 56.100 0.301 0.000 0.947 435 R CB -0.432 29.971 30.300 0.171 0.000 0.865 435 R HN 0.104 nan 8.270 nan 0.000 0.437 436 I N 0.245 120.889 120.570 0.124 0.000 2.248 436 I HA -0.298 3.873 4.170 0.001 0.000 0.248 436 I C 1.667 177.808 176.117 0.040 0.000 1.107 436 I CA 1.502 62.779 61.300 -0.039 0.000 1.373 436 I CB -0.304 37.414 38.000 -0.470 0.000 1.055 436 I HN 0.347 nan 8.210 nan 0.000 0.418 437 W N -1.016 120.405 121.300 0.201 0.000 2.436 437 W HA -0.158 4.502 4.660 0.001 0.000 0.284 437 W C 2.443 178.956 176.519 -0.011 0.000 1.225 437 W CA 0.686 58.104 57.345 0.122 0.000 1.271 437 W CB -1.046 28.375 29.460 -0.066 0.000 1.114 437 W HN 0.195 nan 8.180 nan 0.000 0.559 438 Y N 0.281 120.762 120.300 0.302 0.000 2.314 438 Y HA -0.112 4.439 4.550 0.001 0.000 0.293 438 Y C 2.396 178.333 175.900 0.061 0.000 1.129 438 Y CA 1.097 59.290 58.100 0.155 0.000 1.201 438 Y CB -0.877 37.646 38.460 0.104 0.000 0.999 438 Y HN -0.180 nan 8.280 nan 0.000 0.541 439 I N -0.831 119.856 120.570 0.196 0.000 2.394 439 I HA -0.307 3.864 4.170 0.001 0.000 0.251 439 I C 2.461 178.541 176.117 -0.062 0.000 1.136 439 I CA 1.104 62.417 61.300 0.022 0.000 1.425 439 I CB -0.370 37.696 38.000 0.110 0.000 1.079 439 I HN 0.187 nan 8.210 nan 0.000 0.425 440 A N 0.148 123.002 122.820 0.056 0.000 1.929 440 A HA -0.199 4.122 4.320 0.001 0.000 0.216 440 A C 1.939 179.567 177.584 0.075 0.000 1.176 440 A CA 1.640 53.699 52.037 0.036 0.000 0.628 440 A CB -0.450 18.501 19.000 -0.081 0.000 0.816 440 A HN 0.291 nan 8.150 nan 0.000 0.444 441 D N 0.190 120.634 120.400 0.073 0.000 2.178 441 D HA -0.047 4.594 4.640 0.001 0.000 0.201 441 D C 2.139 178.463 176.300 0.040 0.000 0.980 441 D CA 1.318 55.359 54.000 0.068 0.000 0.842 441 D CB -0.251 40.585 40.800 0.060 0.000 0.948 441 D HN 0.430 nan 8.370 nan 0.000 0.472 442 A N 0.069 122.863 122.820 -0.044 0.000 1.930 442 A HA -0.129 4.192 4.320 0.001 0.000 0.217 442 A C 1.902 179.395 177.584 -0.151 0.000 1.175 442 A CA 0.812 52.761 52.037 -0.145 0.000 0.627 442 A CB -0.757 18.064 19.000 -0.298 0.000 0.815 442 A HN 0.109 nan 8.150 nan 0.000 0.443 443 F N 0.005 119.973 119.950 0.030 0.000 2.186 443 F HA -0.047 4.480 4.527 0.001 0.000 0.299 443 F C 2.461 178.270 175.800 0.016 0.000 1.090 443 F CA 1.337 59.344 58.000 0.011 0.000 1.307 443 F CB -0.534 38.454 39.000 -0.020 0.000 1.019 443 F HN 0.100 nan 8.300 nan 0.000 0.489 444 R N -0.084 120.523 120.500 0.177 0.000 2.120 444 R HA -0.057 4.284 4.340 0.001 0.000 0.234 444 R C 2.173 178.525 176.300 0.087 0.000 1.123 444 R CA 1.104 57.274 56.100 0.116 0.000 0.975 444 R CB -0.587 29.769 30.300 0.092 0.000 0.866 444 R HN 0.241 nan 8.270 nan 0.000 0.446 445 A N -0.373 122.492 122.820 0.075 0.000 2.208 445 A HA 0.227 4.547 4.320 0.001 0.000 0.209 445 A C 1.399 179.016 177.584 0.055 0.000 1.161 445 A CA 0.867 52.937 52.037 0.055 0.000 0.782 445 A CB 0.126 19.152 19.000 0.043 0.000 0.816 445 A HN 0.442 nan 8.150 nan 0.000 0.477 446 G N -1.649 107.198 108.800 0.078 0.000 2.168 446 G HA2 -0.146 3.815 3.960 0.001 0.000 0.197 446 G HA3 -0.146 3.815 3.960 0.001 0.000 0.197 446 G C -0.019 174.930 174.900 0.082 0.000 0.997 446 G CA -0.029 45.117 45.100 0.077 0.000 0.658 446 G HN 0.354 nan 8.290 nan 0.000 0.513 447 L N 2.257 123.524 121.223 0.072 0.000 2.350 447 L HA 0.597 4.938 4.340 0.001 0.000 0.275 447 L C 1.426 178.401 176.870 0.175 0.000 1.099 447 L CA -0.118 54.756 54.840 0.058 0.000 0.808 447 L CB 1.443 43.478 42.059 -0.041 0.000 1.149 447 L HN 0.404 nan 8.230 nan 0.000 0.442 448 S N 1.441 117.241 115.700 0.168 0.000 2.645 448 S HA 0.222 4.693 4.470 0.001 0.000 0.266 448 S C 1.082 175.893 174.600 0.352 0.000 1.258 448 S CA -0.880 57.459 58.200 0.232 0.000 0.990 448 S CB 1.466 64.747 63.200 0.134 0.000 0.967 448 S HN 0.324 nan 8.310 nan 0.000 0.556 449 V N 1.235 121.358 119.914 0.348 0.000 2.343 449 V HA -0.149 3.971 4.120 0.001 0.000 0.247 449 V C 2.235 178.493 176.094 0.275 0.000 1.051 449 V CA 2.293 64.821 62.300 0.380 0.000 1.036 449 V CB -1.051 30.881 31.823 0.182 0.000 0.654 449 V HN 0.854 nan 8.190 nan 0.000 0.451 450 D N 0.546 121.057 120.400 0.185 0.000 2.123 450 D HA -0.129 4.511 4.640 0.001 0.000 0.196 450 D C 2.200 178.619 176.300 0.198 0.000 0.992 450 D CA 1.658 55.759 54.000 0.169 0.000 0.833 450 D CB -0.711 40.146 40.800 0.096 0.000 0.954 450 D HN 0.457 nan 8.370 nan 0.000 0.455 451 G N 0.498 109.385 108.800 0.144 0.000 2.440 451 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 451 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 451 G C 1.856 176.802 174.900 0.078 0.000 1.154 451 G CA 0.933 46.091 45.100 0.097 0.000 0.767 451 G HN 0.259 nan 8.290 nan 0.000 0.552 452 V N 0.346 120.306 119.914 0.076 0.000 2.358 452 V HA -0.096 4.025 4.120 0.001 0.000 0.246 452 V C 2.307 178.447 176.094 0.077 0.000 1.047 452 V CA 1.727 64.035 62.300 0.014 0.000 1.035 452 V CB -0.637 31.127 31.823 -0.099 0.000 0.658 452 V HN 0.400 nan 8.190 nan 0.000 0.452 453 F N 2.010 121.990 119.950 0.050 0.000 2.126 453 F HA -0.222 4.306 4.527 0.001 0.000 0.299 453 F C 2.323 178.145 175.800 0.037 0.000 1.096 453 F CA 2.014 60.044 58.000 0.049 0.000 1.255 453 F CB -0.373 38.665 39.000 0.062 0.000 0.997 453 F HN 0.192 nan 8.300 nan 0.000 0.479 454 N N 0.876 119.670 118.700 0.157 0.000 2.149 454 N HA -0.188 4.553 4.740 0.001 0.000 0.188 454 N C 1.962 177.415 175.510 -0.094 0.000 1.019 454 N CA 1.839 54.919 53.050 0.050 0.000 0.857 454 N CB -0.601 37.964 38.487 0.129 0.000 0.997 454 N HN 0.386 nan 8.380 nan 0.000 0.426 455 L N 0.100 121.276 121.223 -0.078 0.000 2.131 455 L HA -0.046 4.294 4.340 0.001 0.000 0.206 455 L C 2.359 179.153 176.870 -0.128 0.000 1.087 455 L CA 1.371 56.160 54.840 -0.085 0.000 0.767 455 L CB -0.450 41.573 42.059 -0.061 0.000 0.917 455 L HN 0.310 nan 8.230 nan 0.000 0.441 456 T N -5.061 109.388 114.554 -0.175 0.000 3.040 456 T HA 0.075 4.426 4.350 0.001 0.000 0.252 456 T C 0.955 175.485 174.700 -0.284 0.000 1.064 456 T CA 0.647 62.642 62.100 -0.174 0.000 1.110 456 T CB -0.061 68.741 68.868 -0.111 0.000 0.921 456 T HN 0.334 nan 8.240 nan 0.000 0.480 457 N N 0.140 118.478 118.700 -0.604 0.000 2.909 457 N HA -0.115 4.625 4.740 0.001 0.000 0.242 457 N C -0.812 174.470 175.510 -0.380 0.000 0.975 457 N CA 0.627 53.234 53.050 -0.739 0.000 0.921 457 N CB -1.768 36.526 38.487 -0.321 0.000 1.112 457 N HN 0.549 nan 8.380 nan 0.000 0.581 458 I N 1.212 121.630 120.570 -0.254 0.000 2.441 458 I HA 0.026 4.197 4.170 0.001 0.000 0.287 458 I C 0.857 177.099 176.117 0.209 0.000 1.049 458 I CA -0.130 61.096 61.300 -0.123 0.000 1.381 458 I CB 0.436 38.231 38.000 -0.342 0.000 1.409 458 I HN 0.128 nan 8.210 nan 0.000 0.523 459 D N 5.997 126.594 120.400 0.329 0.000 2.533 459 D HA -0.060 4.581 4.640 0.001 0.000 0.236 459 D C 1.133 177.662 176.300 0.382 0.000 1.137 459 D CA 0.325 54.586 54.000 0.436 0.000 0.867 459 D CB 0.821 41.849 40.800 0.380 0.000 1.170 459 D HN 0.482 nan 8.370 nan 0.000 0.474 460 R N 2.846 123.510 120.500 0.273 0.000 2.200 460 R HA -0.186 4.155 4.340 0.001 0.000 0.234 460 R C 1.896 178.263 176.300 0.113 0.000 1.127 460 R CA 1.005 57.207 56.100 0.170 0.000 0.989 460 R CB -0.121 30.204 30.300 0.041 0.000 0.869 460 R HN 0.644 nan 8.270 nan 0.000 0.459 461 W N 0.844 122.093 121.300 -0.086 0.000 2.325 461 W HA -0.208 4.453 4.660 0.001 0.000 0.299 461 W C 1.194 177.580 176.519 -0.221 0.000 1.215 461 W CA 1.525 58.739 57.345 -0.218 0.000 1.244 461 W CB -0.189 29.033 29.460 -0.398 0.000 1.140 461 W HN -0.035 nan 8.180 nan 0.000 0.523 462 F N -0.369 119.697 119.950 0.194 0.000 2.219 462 F HA -0.058 4.470 4.527 0.001 0.000 0.294 462 F C 2.292 178.120 175.800 0.046 0.000 1.086 462 F CA 1.258 59.327 58.000 0.114 0.000 1.330 462 F CB -1.260 37.864 39.000 0.207 0.000 1.047 462 F HN -0.254 nan 8.300 nan 0.000 0.495 463 L N 0.285 121.669 121.223 0.268 0.000 2.013 463 L HA -0.222 4.119 4.340 0.001 0.000 0.212 463 L C 2.625 179.506 176.870 0.019 0.000 1.073 463 L CA 1.657 56.646 54.840 0.249 0.000 0.753 463 L CB -1.254 41.004 42.059 0.333 0.000 0.890 463 L HN 0.184 nan 8.230 nan 0.000 0.432 464 V N -2.830 117.030 119.914 -0.089 0.000 2.568 464 V HA -0.293 3.828 4.120 0.001 0.000 0.253 464 V C 2.180 178.120 176.094 -0.257 0.000 1.072 464 V CA 1.595 63.763 62.300 -0.220 0.000 1.084 464 V CB -0.786 30.919 31.823 -0.196 0.000 0.676 464 V HN 0.497 nan 8.190 nan 0.000 0.469 465 Q N 0.056 119.724 119.800 -0.220 0.000 2.079 465 Q HA 0.018 4.358 4.340 0.001 0.000 0.200 465 Q C 2.269 178.178 176.000 -0.151 0.000 0.974 465 Q CA 2.179 57.862 55.803 -0.199 0.000 0.840 465 Q CB -0.225 28.378 28.738 -0.226 0.000 0.898 465 Q HN 0.705 nan 8.270 nan 0.000 0.430 466 I N 0.415 120.920 120.570 -0.108 0.000 2.315 466 I HA -0.228 3.943 4.170 0.001 0.000 0.248 466 I C 2.366 178.286 176.117 -0.328 0.000 1.117 466 I CA 0.952 62.139 61.300 -0.188 0.000 1.404 466 I CB -0.192 37.793 38.000 -0.026 0.000 1.071 466 I HN 0.275 nan 8.210 nan 0.000 0.419 467 E N 1.165 121.015 120.200 -0.584 0.000 2.106 467 E HA -0.289 4.062 4.350 0.001 0.000 0.192 467 E C 2.091 178.466 176.600 -0.374 0.000 0.984 467 E CA 1.188 57.082 56.400 -0.843 0.000 0.806 467 E CB 0.047 28.974 29.700 -1.289 0.000 0.750 467 E HN 0.487 nan 8.360 nan 0.000 0.458 468 E N 0.368 120.407 120.200 -0.268 0.000 2.106 468 E HA -0.178 4.173 4.350 0.001 0.000 0.192 468 E C 2.175 178.762 176.600 -0.022 0.000 0.984 468 E CA 0.707 57.030 56.400 -0.129 0.000 0.806 468 E CB -0.019 29.616 29.700 -0.109 0.000 0.750 468 E HN 0.326 nan 8.360 nan 0.000 0.458 469 L N 0.305 121.514 121.223 -0.024 0.000 2.141 469 L HA -0.126 4.214 4.340 0.001 0.000 0.209 469 L C 2.471 179.479 176.870 0.230 0.000 1.094 469 L CA 0.396 55.332 54.840 0.160 0.000 0.763 469 L CB -0.229 41.823 42.059 -0.012 0.000 0.908 469 L HN 0.090 nan 8.230 nan 0.000 0.437 470 V N -0.091 119.841 119.914 0.031 0.000 2.307 470 V HA -0.222 3.899 4.120 0.001 0.000 0.245 470 V C 2.703 178.834 176.094 0.062 0.000 1.045 470 V CA 1.543 63.873 62.300 0.050 0.000 1.024 470 V CB -0.568 31.267 31.823 0.021 0.000 0.651 470 V HN 0.440 nan 8.190 nan 0.000 0.449 471 R N -0.058 120.454 120.500 0.021 0.000 2.091 471 R HA -0.110 4.231 4.340 0.001 0.000 0.238 471 R C 2.233 178.565 176.300 0.052 0.000 1.136 471 R CA 1.372 57.484 56.100 0.020 0.000 0.959 471 R CB -0.920 29.372 30.300 -0.013 0.000 0.856 471 R HN 0.421 nan 8.270 nan 0.000 0.437 472 L N 1.006 122.288 121.223 0.098 0.000 2.083 472 L HA -0.141 4.200 4.340 0.001 0.000 0.209 472 L C 2.511 179.382 176.870 0.001 0.000 1.083 472 L CA 1.294 56.201 54.840 0.111 0.000 0.752 472 L CB -0.344 41.826 42.059 0.185 0.000 0.899 472 L HN 0.221 nan 8.230 nan 0.000 0.433 473 E N 0.029 120.229 120.200 0.001 0.000 2.077 473 E HA -0.235 4.116 4.350 0.001 0.000 0.193 473 E C 2.026 178.625 176.600 -0.001 0.000 0.989 473 E CA 1.303 57.673 56.400 -0.051 0.000 0.800 473 E CB -0.041 29.715 29.700 0.093 0.000 0.746 473 E HN 0.586 nan 8.360 nan 0.000 0.452 474 E N 0.910 121.129 120.200 0.032 0.000 2.110 474 E HA -0.201 4.149 4.350 0.001 0.000 0.193 474 E C 2.067 178.683 176.600 0.027 0.000 0.988 474 E CA 0.879 57.297 56.400 0.030 0.000 0.804 474 E CB -0.068 29.651 29.700 0.031 0.000 0.745 474 E HN 0.096 nan 8.360 nan 0.000 0.458 475 K N 1.227 121.651 120.400 0.040 0.000 2.002 475 K HA -0.153 4.168 4.320 0.001 0.000 0.209 475 K C 2.115 178.772 176.600 0.095 0.000 1.048 475 K CA 1.293 57.606 56.287 0.044 0.000 0.930 475 K CB -0.082 32.443 32.500 0.041 0.000 0.714 475 K HN -0.062 nan 8.250 nan 0.000 0.438 476 V N 1.549 121.540 119.914 0.127 0.000 2.324 476 V HA -0.307 3.813 4.120 0.001 0.000 0.250 476 V C 2.511 178.629 176.094 0.040 0.000 1.060 476 V CA 2.108 64.460 62.300 0.087 0.000 1.042 476 V CB -0.921 30.850 31.823 -0.086 0.000 0.650 476 V HN 0.565 nan 8.190 nan 0.000 0.450 477 A N -0.768 122.064 122.820 0.019 0.000 1.902 477 A HA -0.258 4.062 4.320 0.001 0.000 0.217 477 A C 2.293 179.889 177.584 0.019 0.000 1.181 477 A CA 1.985 54.031 52.037 0.016 0.000 0.623 477 A CB -0.440 18.570 19.000 0.017 0.000 0.818 477 A HN 0.633 nan 8.150 nan 0.000 0.443 478 E N -0.096 120.116 120.200 0.019 0.000 2.006 478 E HA -0.148 4.203 4.350 0.001 0.000 0.192 478 E C 2.077 178.685 176.600 0.013 0.000 0.993 478 E CA 1.958 58.364 56.400 0.010 0.000 0.808 478 E CB -0.203 29.497 29.700 -0.001 0.000 0.764 478 E HN 0.513 nan 8.360 nan 0.000 0.449 479 V N -1.161 118.766 119.914 0.022 0.000 2.626 479 V HA 0.094 4.215 4.120 0.001 0.000 0.252 479 V C 1.190 177.310 176.094 0.043 0.000 1.067 479 V CA 1.120 63.437 62.300 0.028 0.000 1.081 479 V CB -1.315 30.525 31.823 0.029 0.000 0.686 479 V HN 0.490 nan 8.190 nan 0.000 0.468 480 G N -0.007 108.821 108.800 0.046 0.000 2.801 480 G HA2 -0.336 3.625 3.960 0.001 0.000 0.244 480 G HA3 -0.336 3.625 3.960 0.001 0.000 0.244 480 G C 0.506 175.432 174.900 0.044 0.000 1.385 480 G CA 0.196 45.316 45.100 0.034 0.000 0.894 480 G HN 0.750 nan 8.290 nan 0.000 0.562 481 I N -0.142 120.442 120.570 0.025 0.000 2.502 481 I HA -0.188 3.983 4.170 0.001 0.000 0.258 481 I C 2.642 178.785 176.117 0.044 0.000 1.172 481 I CA 2.555 63.868 61.300 0.023 0.000 1.430 481 I CB -0.172 37.830 38.000 0.003 0.000 1.086 481 I HN 0.666 nan 8.210 nan 0.000 0.440 482 T N -0.102 114.479 114.554 0.045 0.000 2.857 482 T HA -0.036 4.315 4.350 0.001 0.000 0.266 482 T C 1.525 176.269 174.700 0.074 0.000 1.048 482 T CA 1.255 63.385 62.100 0.050 0.000 1.139 482 T CB -0.262 68.625 68.868 0.033 0.000 0.874 482 T HN 0.591 nan 8.240 nan 0.000 0.455 483 G N 0.784 109.635 108.800 0.084 0.000 2.679 483 G HA2 0.063 4.023 3.960 0.001 0.000 0.212 483 G HA3 0.063 4.023 3.960 0.001 0.000 0.212 483 G C 0.674 175.709 174.900 0.225 0.000 1.137 483 G CA -0.023 45.145 45.100 0.112 0.000 0.787 483 G HN 0.462 nan 8.290 nan 0.000 0.534 484 L N 2.535 123.874 121.223 0.194 0.000 2.511 484 L HA 0.148 4.488 4.340 0.001 0.000 0.239 484 L C 0.412 177.438 176.870 0.259 0.000 1.400 484 L CA -0.756 54.208 54.840 0.207 0.000 1.226 484 L CB -1.094 41.020 42.059 0.091 0.000 1.475 484 L HN 0.286 nan 8.230 nan 0.000 0.428 485 N N -0.209 118.614 118.700 0.206 0.000 2.399 485 N HA 0.195 4.936 4.740 0.001 0.000 0.250 485 N C 1.187 176.595 175.510 -0.170 0.000 1.272 485 N CA 0.196 53.276 53.050 0.050 0.000 0.928 485 N CB 0.856 39.351 38.487 0.012 0.000 1.158 485 N HN 0.169 nan 8.380 nan 0.000 0.463 486 A N 0.129 122.533 122.820 -0.693 0.000 1.940 486 A HA -0.212 4.109 4.320 0.001 0.000 0.219 486 A C 1.529 178.951 177.584 -0.269 0.000 1.176 486 A CA 1.711 53.242 52.037 -0.844 0.000 0.631 486 A CB -0.824 17.552 19.000 -1.040 0.000 0.814 486 A HN 0.796 nan 8.150 nan 0.000 0.446 487 D N -1.371 118.943 120.400 -0.144 0.000 2.097 487 D HA -0.105 4.536 4.640 0.001 0.000 0.195 487 D C 1.577 177.927 176.300 0.084 0.000 0.989 487 D CA 1.127 55.112 54.000 -0.025 0.000 0.827 487 D CB -0.313 40.483 40.800 -0.007 0.000 0.966 487 D HN 0.389 nan 8.370 nan 0.000 0.456 488 F N 0.867 120.764 119.950 -0.089 0.000 2.128 488 F HA -0.034 4.494 4.527 0.001 0.000 0.295 488 F C 2.015 177.781 175.800 -0.058 0.000 1.100 488 F CA 0.510 58.472 58.000 -0.063 0.000 1.260 488 F CB -0.816 38.149 39.000 -0.058 0.000 1.009 488 F HN -0.074 nan 8.300 nan 0.000 0.476 489 L N 1.059 122.195 121.223 -0.145 0.000 2.042 489 L HA -0.182 4.159 4.340 0.001 0.000 0.210 489 L C 2.662 179.420 176.870 -0.188 0.000 1.076 489 L CA 2.172 56.876 54.840 -0.227 0.000 0.749 489 L CB -0.898 41.168 42.059 0.012 0.000 0.893 489 L HN 0.215 nan 8.230 nan 0.000 0.432 490 R N -0.732 119.707 120.500 -0.102 0.000 2.081 490 R HA -0.241 4.100 4.340 0.001 0.000 0.235 490 R C 2.392 178.641 176.300 -0.085 0.000 1.131 490 R CA 1.881 57.929 56.100 -0.087 0.000 0.960 490 R CB -0.453 29.833 30.300 -0.024 0.000 0.856 490 R HN 0.700 nan 8.270 nan 0.000 0.436 491 Q N 0.489 120.269 119.800 -0.033 0.000 2.124 491 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 491 Q C 1.981 177.973 176.000 -0.013 0.000 0.977 491 Q CA 1.570 57.386 55.803 0.022 0.000 0.850 491 Q CB -0.097 28.721 28.738 0.133 0.000 0.901 491 Q HN 0.501 nan 8.270 nan 0.000 0.429 492 L N 0.384 121.520 121.223 -0.145 0.000 2.056 492 L HA -0.154 4.187 4.340 0.001 0.000 0.207 492 L C 2.516 179.390 176.870 0.006 0.000 1.078 492 L CA 0.870 55.653 54.840 -0.096 0.000 0.749 492 L CB -0.394 41.398 42.059 -0.444 0.000 0.901 492 L HN 0.078 nan 8.230 nan 0.000 0.433 493 K N 0.400 120.659 120.400 -0.235 0.000 2.147 493 K HA -0.120 4.201 4.320 0.001 0.000 0.205 493 K C 2.153 178.538 176.600 -0.359 0.000 1.049 493 K CA 1.227 57.208 56.287 -0.510 0.000 0.936 493 K CB -0.319 31.483 32.500 -1.164 0.000 0.722 493 K HN 0.262 nan 8.250 nan 0.000 0.446 494 R N 0.663 121.068 120.500 -0.158 0.000 2.189 494 R HA 0.018 4.358 4.340 0.001 0.000 0.218 494 R C 1.423 177.747 176.300 0.041 0.000 1.074 494 R CA 0.812 56.923 56.100 0.019 0.000 0.991 494 R CB 0.153 30.484 30.300 0.053 0.000 0.883 494 R HN 0.046 nan 8.270 nan 0.000 0.457 495 K N -0.552 119.870 120.400 0.035 0.000 2.437 495 K HA 0.135 4.456 4.320 0.001 0.000 0.198 495 K C 0.629 177.141 176.600 -0.147 0.000 1.024 495 K CA 0.676 56.956 56.287 -0.012 0.000 1.148 495 K CB 1.239 33.766 32.500 0.046 0.000 0.860 495 K HN 0.355 nan 8.250 nan 0.000 0.515 496 G N 1.564 110.319 108.800 -0.075 0.000 2.176 496 G HA2 -0.260 3.701 3.960 0.001 0.000 0.253 496 G HA3 -0.260 3.701 3.960 0.001 0.000 0.253 496 G C 0.010 174.852 174.900 -0.097 0.000 0.979 496 G CA -0.446 44.607 45.100 -0.079 0.000 0.641 496 G HN 0.217 nan 8.290 nan 0.000 0.530 497 F N 1.763 121.692 119.950 -0.035 0.000 2.608 497 F HA 0.467 4.995 4.527 0.001 0.000 0.380 497 F C 1.168 176.940 175.800 -0.047 0.000 1.083 497 F CA 0.533 58.512 58.000 -0.036 0.000 1.266 497 F CB 0.692 39.649 39.000 -0.072 0.000 1.076 497 F HN 0.365 nan 8.300 nan 0.000 0.574 498 A N 3.064 125.994 122.820 0.184 0.000 2.316 498 A HA 0.247 4.568 4.320 0.001 0.000 0.284 498 A C 1.072 178.705 177.584 0.082 0.000 1.115 498 A CA -0.742 51.359 52.037 0.106 0.000 0.812 498 A CB 0.334 19.387 19.000 0.088 0.000 1.064 498 A HN 0.769 nan 8.150 nan 0.000 0.489 499 D N 1.889 122.316 120.400 0.045 0.000 2.158 499 D HA -0.184 4.457 4.640 0.001 0.000 0.197 499 D C 2.101 178.410 176.300 0.016 0.000 0.995 499 D CA 2.026 56.035 54.000 0.015 0.000 0.846 499 D CB -0.231 40.576 40.800 0.012 0.000 0.941 499 D HN 0.658 nan 8.370 nan 0.000 0.456 500 A N 0.485 123.324 122.820 0.031 0.000 1.969 500 A HA -0.161 4.160 4.320 0.001 0.000 0.218 500 A C 2.191 179.798 177.584 0.038 0.000 1.169 500 A CA 1.517 53.570 52.037 0.027 0.000 0.635 500 A CB -0.271 18.745 19.000 0.026 0.000 0.810 500 A HN 0.042 nan 8.150 nan 0.000 0.445 501 R N 0.015 120.557 120.500 0.070 0.000 2.075 501 R HA 0.132 4.472 4.340 0.001 0.000 0.226 501 R C 1.874 178.203 176.300 0.049 0.000 1.114 501 R CA 1.212 57.372 56.100 0.100 0.000 0.972 501 R CB -0.763 29.660 30.300 0.205 0.000 0.869 501 R HN 0.497 nan 8.270 nan 0.000 0.437 502 L N -0.096 121.134 121.223 0.011 0.000 2.083 502 L HA -0.098 4.243 4.340 0.001 0.000 0.209 502 L C 2.400 179.243 176.870 -0.045 0.000 1.083 502 L CA 1.417 56.214 54.840 -0.071 0.000 0.752 502 L CB -0.719 41.279 42.059 -0.101 0.000 0.899 502 L HN 0.298 nan 8.230 nan 0.000 0.433 503 A N 0.338 123.146 122.820 -0.021 0.000 1.902 503 A HA -0.228 4.093 4.320 0.001 0.000 0.217 503 A C 2.321 179.899 177.584 -0.009 0.000 1.181 503 A CA 1.795 53.822 52.037 -0.017 0.000 0.623 503 A CB -0.313 18.680 19.000 -0.012 0.000 0.818 503 A HN 0.295 nan 8.150 nan 0.000 0.443 504 K N -0.532 119.869 120.400 0.002 0.000 2.097 504 K HA 0.075 4.396 4.320 0.001 0.000 0.205 504 K C 1.825 178.428 176.600 0.006 0.000 1.050 504 K CA 1.069 57.360 56.287 0.007 0.000 0.938 504 K CB -0.292 32.220 32.500 0.019 0.000 0.718 504 K HN 0.435 nan 8.250 nan 0.000 0.442 505 L N 0.171 121.395 121.223 0.003 0.000 2.027 505 L HA -0.127 4.214 4.340 0.001 0.000 0.206 505 L C 2.149 179.014 176.870 -0.008 0.000 1.074 505 L CA 1.158 55.996 54.840 -0.003 0.000 0.745 505 L CB -0.321 41.723 42.059 -0.026 0.000 0.898 505 L HN 0.165 nan 8.230 nan 0.000 0.433 506 A N -0.324 122.485 122.820 -0.018 0.000 2.259 506 A HA 0.235 4.556 4.320 0.001 0.000 0.208 506 A C 1.643 179.223 177.584 -0.006 0.000 1.201 506 A CA 0.573 52.603 52.037 -0.012 0.000 0.824 506 A CB -0.880 18.108 19.000 -0.020 0.000 0.838 506 A HN 0.511 nan 8.150 nan 0.000 0.485 507 G N -0.529 108.269 108.800 -0.004 0.000 2.321 507 G HA2 -0.155 3.806 3.960 0.001 0.000 0.287 507 G HA3 -0.155 3.806 3.960 0.001 0.000 0.287 507 G C 0.412 175.309 174.900 -0.005 0.000 1.018 507 G CA 1.045 46.143 45.100 -0.002 0.000 0.855 507 G HN 1.737 nan 8.290 nan 0.000 0.507 508 V N -4.580 115.329 119.914 -0.009 0.000 3.184 508 V HA 0.928 5.049 4.120 0.001 0.000 0.308 508 V C 0.486 176.572 176.094 -0.013 0.000 1.243 508 V CA -1.926 60.367 62.300 -0.012 0.000 1.058 508 V CB 1.292 33.105 31.823 -0.016 0.000 1.183 508 V HN 0.246 nan 8.190 nan 0.000 0.471 509 R N 0.218 120.708 120.500 -0.015 0.000 2.404 509 R HA 0.354 4.694 4.340 0.001 0.000 0.291 509 R C 1.259 177.548 176.300 -0.018 0.000 1.025 509 R CA 0.153 56.244 56.100 -0.015 0.000 0.991 509 R CB 1.176 31.466 30.300 -0.015 0.000 1.053 509 R HN 0.966 nan 8.270 nan 0.000 0.479 510 E N 2.636 122.827 120.200 -0.014 0.000 2.130 510 E HA -0.272 4.078 4.350 0.001 0.000 0.196 510 E C 1.356 177.947 176.600 -0.015 0.000 0.998 510 E CA 1.727 58.120 56.400 -0.012 0.000 0.806 510 E CB 0.030 29.726 29.700 -0.007 0.000 0.738 510 E HN 0.737 nan 8.360 nan 0.000 0.459 511 A N 0.662 123.473 122.820 -0.015 0.000 2.076 511 A HA -0.219 4.101 4.320 0.001 0.000 0.220 511 A C 1.871 179.440 177.584 -0.024 0.000 1.160 511 A CA 1.599 53.627 52.037 -0.015 0.000 0.653 511 A CB -0.432 18.560 19.000 -0.013 0.000 0.801 511 A HN 0.391 nan 8.150 nan 0.000 0.455 512 E N -0.468 119.714 120.200 -0.030 0.000 2.107 512 E HA -0.101 4.249 4.350 0.001 0.000 0.191 512 E C 1.751 178.315 176.600 -0.061 0.000 0.982 512 E CA 0.859 57.233 56.400 -0.042 0.000 0.809 512 E CB -0.090 29.587 29.700 -0.037 0.000 0.756 512 E HN 0.561 nan 8.360 nan 0.000 0.459 513 I N 0.860 121.399 120.570 -0.052 0.000 2.252 513 I HA -0.216 3.955 4.170 0.001 0.000 0.245 513 I C 2.516 178.590 176.117 -0.072 0.000 1.102 513 I CA 1.212 62.472 61.300 -0.066 0.000 1.385 513 I CB -1.012 36.957 38.000 -0.051 0.000 1.064 513 I HN 0.101 nan 8.210 nan 0.000 0.414 514 R N 1.409 121.882 120.500 -0.044 0.000 2.105 514 R HA -0.201 4.140 4.340 0.001 0.000 0.239 514 R C 2.376 178.647 176.300 -0.049 0.000 1.135 514 R CA 1.497 57.579 56.100 -0.030 0.000 0.967 514 R CB -0.143 30.157 30.300 0.001 0.000 0.861 514 R HN 0.169 nan 8.270 nan 0.000 0.442 515 K N 0.572 120.936 120.400 -0.060 0.000 2.025 515 K HA -0.158 4.162 4.320 0.001 0.000 0.207 515 K C 2.093 178.605 176.600 -0.146 0.000 1.049 515 K CA 1.256 57.499 56.287 -0.073 0.000 0.933 515 K CB -0.267 32.194 32.500 -0.066 0.000 0.714 515 K HN 0.208 nan 8.250 nan 0.000 0.438 516 L N 1.753 122.855 121.223 -0.202 0.000 2.042 516 L HA -0.179 4.162 4.340 0.001 0.000 0.210 516 L C 2.532 179.121 176.870 -0.468 0.000 1.076 516 L CA 1.589 56.191 54.840 -0.397 0.000 0.749 516 L CB -0.292 41.566 42.059 -0.335 0.000 0.893 516 L HN 0.131 nan 8.230 nan 0.000 0.432 517 R N -0.757 119.602 120.500 -0.235 0.000 2.096 517 R HA -0.209 4.132 4.340 0.001 0.000 0.235 517 R C 1.976 178.163 176.300 -0.188 0.000 1.127 517 R CA 1.811 57.811 56.100 -0.167 0.000 0.968 517 R CB -0.511 29.701 30.300 -0.147 0.000 0.861 517 R HN 0.472 nan 8.270 nan 0.000 0.440 518 D N 0.136 120.457 120.400 -0.132 0.000 2.104 518 D HA -0.202 4.439 4.640 0.001 0.000 0.194 518 D C 2.028 178.339 176.300 0.018 0.000 0.994 518 D CA 1.218 55.221 54.000 0.005 0.000 0.830 518 D CB 0.092 40.917 40.800 0.042 0.000 0.959 518 D HN 0.143 nan 8.370 nan 0.000 0.452 519 Q N -0.974 118.772 119.800 -0.090 0.000 2.014 519 Q HA -0.234 4.106 4.340 0.001 0.000 0.207 519 Q C 1.794 177.836 176.000 0.070 0.000 0.993 519 Q CA 1.493 57.253 55.803 -0.073 0.000 0.850 519 Q CB -0.197 28.389 28.738 -0.253 0.000 0.916 519 Q HN 0.458 nan 8.270 nan 0.000 0.417 520 Y N 0.207 120.513 120.300 0.010 0.000 2.421 520 Y HA -0.089 4.462 4.550 0.001 0.000 0.292 520 Y C 0.783 176.702 175.900 0.032 0.000 1.136 520 Y CA 1.205 59.312 58.100 0.011 0.000 1.255 520 Y CB -0.286 38.168 38.460 -0.010 0.000 0.991 520 Y HN 0.342 nan 8.280 nan 0.000 0.552 521 D N -1.499 119.016 120.400 0.192 0.000 2.988 521 D HA -0.167 4.473 4.640 0.001 0.000 0.221 521 D C -0.893 175.511 176.300 0.174 0.000 1.122 521 D CA 0.138 54.268 54.000 0.217 0.000 0.821 521 D CB -1.447 39.472 40.800 0.199 0.000 1.098 521 D HN 0.111 nan 8.370 nan 0.000 0.433 522 L N 2.530 123.740 121.223 -0.020 0.000 2.315 522 L HA 0.410 4.751 4.340 0.001 0.000 0.278 522 L C -0.688 176.060 176.870 -0.203 0.000 1.088 522 L CA -0.108 54.741 54.840 0.016 0.000 0.899 522 L CB 0.231 42.346 42.059 0.094 0.000 1.277 522 L HN 0.132 nan 8.230 nan 0.000 0.431 523 H N 4.146 123.347 119.070 0.220 0.000 2.768 523 H HA 0.562 5.119 4.556 0.001 0.000 0.371 523 H C -2.534 172.602 175.328 -0.318 0.000 1.151 523 H CA -1.745 54.334 56.048 0.051 0.000 1.165 523 H CB 1.853 31.628 29.762 0.021 0.000 1.722 523 H HN 0.322 nan 8.280 nan 0.000 0.543 524 P HA 0.104 nan 4.420 nan 0.000 0.276 524 P C -0.124 176.860 177.300 -0.527 0.000 1.261 524 P CA -0.460 61.977 63.100 -1.105 0.000 0.800 524 P CB 1.136 32.197 31.700 -1.066 0.000 1.066 525 V N -1.807 117.811 119.914 -0.493 0.000 3.093 525 V HA 0.567 4.688 4.120 0.001 0.000 0.320 525 V C -0.958 174.855 176.094 -0.467 0.000 1.093 525 V CA -0.903 61.231 62.300 -0.277 0.000 1.016 525 V CB 0.971 32.704 31.823 -0.149 0.000 1.096 525 V HN 0.327 nan 8.190 nan 0.000 0.452 526 Y N 0.957 121.186 120.300 -0.119 0.000 2.341 526 Y HA 0.698 5.248 4.550 0.001 0.000 0.338 526 Y C 0.380 176.114 175.900 -0.276 0.000 0.965 526 Y CA -0.772 57.227 58.100 -0.168 0.000 1.108 526 Y CB 1.818 40.269 38.460 -0.015 0.000 1.180 526 Y HN 0.529 nan 8.280 nan 0.000 0.458 527 K N 2.906 123.022 120.400 -0.473 0.000 2.168 527 K HA 0.606 4.927 4.320 0.001 0.000 0.239 527 K C -0.439 175.915 176.600 -0.411 0.000 0.999 527 K CA -0.939 55.052 56.287 -0.493 0.000 0.900 527 K CB 1.657 33.770 32.500 -0.646 0.000 1.111 527 K HN 0.700 nan 8.250 nan 0.000 0.452 528 R N 0.026 120.434 120.500 -0.153 0.000 2.711 528 R HA 0.449 4.790 4.340 0.001 0.000 0.284 528 R C -0.546 175.778 176.300 0.040 0.000 0.968 528 R CA -0.985 55.082 56.100 -0.055 0.000 0.924 528 R CB 1.708 31.997 30.300 -0.018 0.000 1.162 528 R HN 0.191 nan 8.270 nan 0.000 0.465 529 V N 2.413 122.269 119.914 -0.097 0.000 2.583 529 V HA 0.055 4.175 4.120 0.001 0.000 0.287 529 V C 0.173 176.278 176.094 0.018 0.000 1.051 529 V CA 0.427 62.648 62.300 -0.132 0.000 1.010 529 V CB 1.266 32.638 31.823 -0.752 0.000 0.988 529 V HN 0.986 nan 8.190 nan 0.000 0.478 530 D N 0.833 121.311 120.400 0.131 0.000 2.480 530 D HA 0.036 4.676 4.640 0.001 0.000 0.276 530 D C 0.929 177.337 176.300 0.181 0.000 1.294 530 D CA 0.752 54.827 54.000 0.124 0.000 0.829 530 D CB 0.020 40.888 40.800 0.112 0.000 1.242 530 D HN 0.767 nan 8.370 nan 0.000 0.513 531 T N -1.939 112.757 114.554 0.236 0.000 9.639 531 T HA -0.386 3.965 4.350 0.001 0.000 0.362 531 T C 1.258 176.175 174.700 0.361 0.000 1.812 531 T CA 1.801 64.104 62.100 0.337 0.000 2.782 531 T CB -2.798 66.385 68.868 0.524 0.000 2.606 531 T HN 0.907 nan 8.240 nan 0.000 1.105 532 C N 0.718 120.172 119.300 0.257 0.000 3.386 532 C HA 0.889 5.349 4.460 0.001 0.000 0.279 532 C C 1.726 176.776 174.990 0.099 0.000 1.508 532 C CA -0.081 59.073 59.018 0.226 0.000 1.801 532 C CB -0.414 27.500 27.740 0.290 0.000 2.798 532 C HN 2.267 nan 8.230 nan 0.000 0.605 533 A N 0.306 123.162 122.820 0.061 0.000 2.869 533 A HA 0.278 4.599 4.320 0.001 0.000 0.280 533 A C 1.499 179.085 177.584 0.002 0.000 1.458 533 A CA 1.470 53.513 52.037 0.011 0.000 0.776 533 A CB -1.944 17.039 19.000 -0.028 0.000 1.028 533 A HN 2.794 nan 8.150 nan 0.000 0.547 534 A N -2.282 120.551 122.820 0.022 0.000 3.172 534 A HA -0.318 4.003 4.320 0.001 0.000 0.263 534 A C 1.144 178.651 177.584 -0.128 0.000 1.215 534 A CA 2.262 54.289 52.037 -0.017 0.000 1.065 534 A CB -2.312 16.684 19.000 -0.006 0.000 1.148 534 A HN 1.858 nan 8.150 nan 0.000 0.904 535 E N -1.710 118.354 120.200 -0.226 0.000 2.204 535 E HA 0.048 4.399 4.350 0.001 0.000 0.195 535 E C 0.033 175.993 176.600 -1.066 0.000 0.990 535 E CA 1.185 57.221 56.400 -0.607 0.000 0.821 535 E CB -0.007 29.277 29.700 -0.695 0.000 0.750 535 E HN 0.753 nan 8.360 nan 0.000 0.477 536 F N -0.969 118.964 119.950 -0.027 0.000 2.599 536 F HA 0.528 5.056 4.527 0.001 0.000 0.311 536 F C 0.018 175.802 175.800 -0.027 0.000 1.076 536 F CA -1.071 56.906 58.000 -0.038 0.000 0.937 536 F CB 1.281 40.239 39.000 -0.070 0.000 1.282 536 F HN -0.211 nan 8.300 nan 0.000 0.460 537 A N 0.804 123.730 122.820 0.177 0.000 2.386 537 A HA 0.585 4.906 4.320 0.001 0.000 0.248 537 A C -0.087 177.545 177.584 0.080 0.000 1.082 537 A CA -0.088 52.005 52.037 0.093 0.000 0.789 537 A CB 0.522 19.560 19.000 0.063 0.000 1.025 537 A HN 0.729 nan 8.150 nan 0.000 0.490 538 T N -0.281 114.299 114.554 0.043 0.000 2.861 538 T HA 0.473 4.824 4.350 0.001 0.000 0.287 538 T C -0.511 174.190 174.700 0.002 0.000 1.003 538 T CA -0.430 61.679 62.100 0.015 0.000 0.977 538 T CB 1.033 69.910 68.868 0.015 0.000 0.996 538 T HN 0.561 nan 8.240 nan 0.000 0.448 539 D N 1.860 122.253 120.400 -0.013 0.000 2.363 539 D HA 0.214 4.855 4.640 0.001 0.000 0.214 539 D C 0.182 176.476 176.300 -0.009 0.000 1.093 539 D CA 0.109 54.105 54.000 -0.007 0.000 0.837 539 D CB 0.579 41.376 40.800 -0.004 0.000 0.948 539 D HN 0.411 nan 8.370 nan 0.000 0.507 540 T N 0.545 115.086 114.554 -0.021 0.000 2.909 540 T HA 0.532 4.883 4.350 0.001 0.000 0.289 540 T C 0.240 174.950 174.700 0.016 0.000 1.005 540 T CA -0.595 61.497 62.100 -0.013 0.000 1.084 540 T CB 1.635 70.455 68.868 -0.080 0.000 0.975 540 T HN -0.018 nan 8.240 nan 0.000 0.509 541 A N 3.285 126.123 122.820 0.031 0.000 2.937 541 A HA 0.428 4.749 4.320 0.001 0.000 0.338 541 A C -0.924 176.695 177.584 0.059 0.000 1.273 541 A CA -0.487 51.551 52.037 0.001 0.000 0.937 541 A CB -0.256 18.708 19.000 -0.060 0.000 1.133 541 A HN 0.711 nan 8.150 nan 0.000 0.491 542 Y N 3.224 123.496 120.300 -0.046 0.000 2.464 542 Y HA 0.713 5.264 4.550 0.001 0.000 0.326 542 Y C -0.693 175.214 175.900 0.012 0.000 0.969 542 Y CA -1.901 56.210 58.100 0.018 0.000 1.270 542 Y CB 0.610 39.125 38.460 0.093 0.000 1.103 542 Y HN 0.590 nan 8.280 nan 0.000 0.491 543 M N 6.630 126.347 119.600 0.194 0.000 2.690 543 M HA 0.557 5.038 4.480 0.001 0.000 0.302 543 M C -1.539 174.941 176.300 0.300 0.000 1.234 543 M CA -1.125 54.217 55.300 0.070 0.000 0.853 543 M CB 2.772 35.316 32.600 -0.093 0.000 1.748 543 M HN 0.460 nan 8.290 nan 0.000 0.469 544 Y N -1.573 118.830 120.300 0.172 0.000 2.553 544 Y HA 0.839 5.389 4.550 0.001 0.000 0.347 544 Y C -0.545 175.448 175.900 0.155 0.000 1.019 544 Y CA -1.500 56.721 58.100 0.203 0.000 1.032 544 Y CB 0.934 39.403 38.460 0.016 0.000 1.284 544 Y HN 0.744 nan 8.280 nan 0.000 0.466 545 S N 1.546 117.334 115.700 0.147 0.000 2.562 545 S HA 0.746 5.216 4.470 0.001 0.000 0.275 545 S C -0.350 174.173 174.600 -0.128 0.000 1.281 545 S CA 0.020 58.010 58.200 -0.350 0.000 1.045 545 S CB 1.501 64.498 63.200 -0.338 0.000 0.962 545 S HN 1.088 nan 8.310 nan 0.000 0.503 546 T N 1.250 115.621 114.554 -0.305 0.000 2.840 546 T HA 0.435 4.786 4.350 0.001 0.000 0.317 546 T C -2.132 172.424 174.700 -0.239 0.000 1.401 546 T CA -0.550 61.501 62.100 -0.081 0.000 1.028 546 T CB 0.746 69.649 68.868 0.058 0.000 1.317 546 T HN 0.584 nan 8.240 nan 0.000 0.495 547 Y N 2.392 122.681 120.300 -0.019 0.000 2.751 547 Y HA 0.569 5.119 4.550 0.001 0.000 0.333 547 Y C 0.752 176.656 175.900 0.007 0.000 1.122 547 Y CA -0.202 57.892 58.100 -0.010 0.000 1.367 547 Y CB 0.636 39.101 38.460 0.009 0.000 1.242 547 Y HN 0.637 nan 8.280 nan 0.000 0.505 548 E N 0.009 120.220 120.200 0.018 0.000 2.417 548 E HA 0.302 4.653 4.350 0.001 0.000 0.200 548 E C 0.425 177.040 176.600 0.024 0.000 0.791 548 E CA -0.493 55.932 56.400 0.042 0.000 0.911 548 E CB 1.087 30.808 29.700 0.035 0.000 1.936 548 E HN 0.241 nan 8.360 nan 0.000 0.395 549 E N 0.766 120.980 120.200 0.022 0.000 2.034 549 E HA 0.024 4.375 4.350 0.001 0.000 0.192 549 E C -0.100 176.506 176.600 0.009 0.000 0.963 549 E CA 0.572 56.985 56.400 0.022 0.000 0.831 549 E CB -0.178 29.537 29.700 0.025 0.000 0.801 549 E HN 0.351 nan 8.360 nan 0.000 0.463 550 E N 0.472 120.675 120.200 0.005 0.000 2.338 550 E HA 0.099 4.450 4.350 0.001 0.000 0.272 550 E C -1.046 175.549 176.600 -0.008 0.000 1.029 550 E CA -0.159 56.242 56.400 0.003 0.000 0.872 550 E CB 0.945 30.648 29.700 0.005 0.000 1.015 550 E HN 0.074 nan 8.360 nan 0.000 0.417 551 C N 4.416 123.720 119.300 0.006 0.000 2.355 551 C HA 0.313 4.774 4.460 0.001 0.000 0.332 551 C C 0.398 175.405 174.990 0.028 0.000 1.255 551 C CA -0.337 58.696 59.018 0.024 0.000 1.792 551 C CB 0.164 27.937 27.740 0.056 0.000 2.300 551 C HN 0.888 nan 8.230 nan 0.000 0.515 552 E N 2.882 123.101 120.200 0.031 0.000 2.558 552 E HA 0.153 4.503 4.350 0.001 0.000 0.205 552 E C 1.399 178.014 176.600 0.026 0.000 1.006 552 E CA 0.115 56.525 56.400 0.017 0.000 0.961 552 E CB 0.542 30.237 29.700 -0.009 0.000 1.044 552 E HN 0.803 nan 8.360 nan 0.000 0.465 553 A N 1.890 124.748 122.820 0.064 0.000 1.902 553 A HA -0.192 4.128 4.320 0.001 0.000 0.217 553 A C 0.885 178.476 177.584 0.011 0.000 1.181 553 A CA 0.626 52.685 52.037 0.038 0.000 0.623 553 A CB -0.312 18.725 19.000 0.061 0.000 0.818 553 A HN 0.318 nan 8.150 nan 0.000 0.443 554 N N -0.158 118.554 118.700 0.019 0.000 2.678 554 N HA -0.112 4.628 4.740 0.001 0.000 0.268 554 N C -2.559 172.957 175.510 0.010 0.000 1.010 554 N CA 1.189 54.246 53.050 0.012 0.000 0.784 554 N CB -1.444 37.047 38.487 0.008 0.000 0.905 554 N HN 0.412 nan 8.380 nan 0.000 0.552 555 P HA 0.171 nan 4.420 nan 0.000 0.275 555 P C 0.198 177.506 177.300 0.014 0.000 1.228 555 P CA -0.089 63.022 63.100 0.018 0.000 0.786 555 P CB 0.744 32.455 31.700 0.018 0.000 0.927 556 S N 0.569 116.279 115.700 0.017 0.000 2.585 556 S HA 0.239 4.709 4.470 0.001 0.000 0.273 556 S C 1.174 175.782 174.600 0.013 0.000 1.339 556 S CA 0.203 58.412 58.200 0.015 0.000 1.028 556 S CB 0.130 63.342 63.200 0.019 0.000 0.906 556 S HN 0.674 nan 8.310 nan 0.000 0.528 557 T N -1.826 112.733 114.554 0.010 0.000 2.986 557 T HA 0.177 4.528 4.350 0.001 0.000 0.264 557 T C 0.823 175.527 174.700 0.006 0.000 0.964 557 T CA -0.200 61.904 62.100 0.007 0.000 0.895 557 T CB -0.112 68.759 68.868 0.005 0.000 1.163 557 T HN 0.366 nan 8.240 nan 0.000 0.517 558 D N 2.530 122.934 120.400 0.006 0.000 2.087 558 D HA 0.008 4.649 4.640 0.001 0.000 0.192 558 D C 1.190 177.491 176.300 0.001 0.000 0.993 558 D CA 1.271 55.273 54.000 0.003 0.000 0.828 558 D CB 0.248 41.051 40.800 0.005 0.000 0.968 558 D HN 0.560 nan 8.370 nan 0.000 0.448 559 R N -0.404 120.102 120.500 0.010 0.000 3.029 559 R HA 0.528 4.869 4.340 0.001 0.000 0.239 559 R C -0.406 175.913 176.300 0.032 0.000 1.351 559 R CA -0.831 55.274 56.100 0.009 0.000 1.052 559 R CB 0.721 31.024 30.300 0.006 0.000 1.354 559 R HN -0.095 nan 8.270 nan 0.000 0.499 560 E N 1.756 121.983 120.200 0.045 0.000 2.194 560 E HA 0.152 4.503 4.350 0.001 0.000 0.284 560 E C -0.830 175.883 176.600 0.190 0.000 1.035 560 E CA -0.186 56.281 56.400 0.112 0.000 0.836 560 E CB 1.156 30.942 29.700 0.143 0.000 1.070 560 E HN 0.205 nan 8.360 nan 0.000 0.401 561 K N 2.914 123.393 120.400 0.131 0.000 2.156 561 K HA 0.541 4.862 4.320 0.001 0.000 0.254 561 K C -0.251 176.381 176.600 0.054 0.000 0.950 561 K CA -0.639 55.711 56.287 0.105 0.000 0.849 561 K CB 1.623 34.159 32.500 0.059 0.000 1.100 561 K HN 0.356 nan 8.250 nan 0.000 0.434 562 I N 2.908 123.486 120.570 0.013 0.000 2.447 562 I HA 0.288 4.459 4.170 0.001 0.000 0.287 562 I C -0.776 175.309 176.117 -0.053 0.000 1.023 562 I CA -0.575 60.674 61.300 -0.084 0.000 1.083 562 I CB 1.688 39.540 38.000 -0.247 0.000 1.245 562 I HN 0.618 nan 8.210 nan 0.000 0.434 563 M N 6.700 126.264 119.600 -0.060 0.000 2.180 563 M HA 0.498 4.979 4.480 0.001 0.000 0.350 563 M C -1.340 174.924 176.300 -0.060 0.000 1.125 563 M CA -0.552 54.723 55.300 -0.042 0.000 1.031 563 M CB 1.570 34.144 32.600 -0.044 0.000 1.623 563 M HN 0.323 nan 8.290 nan 0.000 0.451 564 V N 6.653 126.546 119.914 -0.034 0.000 2.384 564 V HA 0.427 4.548 4.120 0.001 0.000 0.287 564 V C -0.350 175.742 176.094 -0.003 0.000 1.020 564 V CA -0.725 61.558 62.300 -0.029 0.000 0.850 564 V CB 1.456 33.279 31.823 0.000 0.000 0.987 564 V HN 0.772 nan 8.190 nan 0.000 0.436 565 L N 4.535 125.755 121.223 -0.005 0.000 2.272 565 L HA 0.638 4.979 4.340 0.001 0.000 0.289 565 L C 1.087 177.969 176.870 0.020 0.000 1.032 565 L CA -0.285 54.555 54.840 -0.000 0.000 0.810 565 L CB 1.296 43.347 42.059 -0.013 0.000 1.205 565 L HN 0.771 nan 8.230 nan 0.000 0.422 566 G N 1.460 110.265 108.800 0.007 0.000 2.683 566 G HA2 0.300 4.261 3.960 0.001 0.000 0.260 566 G HA3 0.300 4.261 3.960 0.001 0.000 0.260 566 G C 0.860 175.756 174.900 -0.006 0.000 1.238 566 G CA 0.087 45.192 45.100 0.008 0.000 0.934 566 G HN 0.812 nan 8.290 nan 0.000 0.534 567 G N -1.531 107.268 108.800 -0.002 0.000 3.088 567 G HA2 0.504 4.465 3.960 0.001 0.000 0.217 567 G HA3 0.504 4.465 3.960 0.001 0.000 0.217 567 G C 1.039 175.911 174.900 -0.046 0.000 1.159 567 G CA 0.846 45.927 45.100 -0.032 0.000 0.760 567 G HN 1.842 nan 8.290 nan 0.000 0.550 568 G N 0.625 109.392 108.800 -0.054 0.000 2.598 568 G HA2 -0.174 3.787 3.960 0.001 0.000 0.244 568 G HA3 -0.174 3.787 3.960 0.001 0.000 0.244 568 G C -2.422 172.450 174.900 -0.048 0.000 1.302 568 G CA -0.340 44.724 45.100 -0.062 0.000 0.903 568 G HN 0.342 nan 8.290 nan 0.000 0.575 569 P HA 0.155 nan 4.420 nan 0.000 0.268 569 P C 0.084 177.368 177.300 -0.026 0.000 1.208 569 P CA 0.092 63.172 63.100 -0.033 0.000 0.777 569 P CB 0.129 31.811 31.700 -0.029 0.000 0.875 570 N N 1.745 120.430 118.700 -0.026 0.000 2.482 570 N HA 0.376 5.117 4.740 0.001 0.000 0.260 570 N C -0.026 175.471 175.510 -0.022 0.000 1.236 570 N CA -0.242 52.801 53.050 -0.011 0.000 0.938 570 N CB 0.391 38.873 38.487 -0.008 0.000 1.128 570 N HN 0.374 nan 8.380 nan 0.000 0.448 571 R N 0.271 120.768 120.500 -0.006 0.000 2.712 571 R HA 0.392 4.733 4.340 0.001 0.000 0.272 571 R C -1.316 174.986 176.300 0.003 0.000 1.032 571 R CA -0.811 55.283 56.100 -0.011 0.000 0.874 571 R CB 0.454 30.744 30.300 -0.016 0.000 1.256 571 R HN 0.353 nan 8.270 nan 0.000 0.468 572 I N 2.011 122.583 120.570 0.002 0.000 2.742 572 I HA 0.182 4.353 4.170 0.001 0.000 0.287 572 I C 1.101 177.206 176.117 -0.021 0.000 1.186 572 I CA 1.985 63.283 61.300 -0.002 0.000 1.417 572 I CB 0.349 38.355 38.000 0.011 0.000 1.377 572 I HN 1.035 nan 8.210 nan 0.000 0.556 573 G N 4.954 113.754 108.800 -0.001 0.000 2.284 573 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 573 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 573 G C 0.201 175.177 174.900 0.127 0.000 1.009 573 G CA -0.464 44.645 45.100 0.015 0.000 0.625 573 G HN 0.567 nan 8.290 nan 0.000 0.501 574 Q N 0.520 120.393 119.800 0.122 0.000 2.786 574 Q HA 0.547 4.888 4.340 0.001 0.000 0.240 574 Q C 0.341 176.470 176.000 0.215 0.000 0.928 574 Q CA 0.064 55.998 55.803 0.218 0.000 0.721 574 Q CB 1.597 30.311 28.738 -0.041 0.000 1.318 574 Q HN 0.521 nan 8.270 nan 0.000 0.474 575 G N 0.598 109.556 108.800 0.264 0.000 3.234 575 G HA2 0.307 4.267 3.960 0.001 0.000 0.159 575 G HA3 0.307 4.267 3.960 0.001 0.000 0.159 575 G C 0.534 175.511 174.900 0.129 0.000 1.175 575 G CA -0.568 44.611 45.100 0.131 0.000 0.900 575 G HN 0.549 nan 8.290 nan 0.000 0.621 576 I N 0.557 121.153 120.570 0.043 0.000 2.399 576 I HA -0.177 3.994 4.170 0.001 0.000 0.254 576 I C 2.487 178.599 176.117 -0.008 0.000 1.146 576 I CA 1.647 62.965 61.300 0.030 0.000 1.412 576 I CB -0.001 38.010 38.000 0.019 0.000 1.076 576 I HN 0.510 nan 8.210 nan 0.000 0.432 577 E N 0.671 120.786 120.200 -0.142 0.000 2.085 577 E HA -0.243 4.107 4.350 0.001 0.000 0.194 577 E C 1.815 178.261 176.600 -0.257 0.000 0.994 577 E CA 1.753 57.955 56.400 -0.331 0.000 0.801 577 E CB -0.481 28.842 29.700 -0.629 0.000 0.743 577 E HN 0.541 nan 8.360 nan 0.000 0.453 578 F N 0.556 120.506 119.950 0.000 0.000 2.407 578 F HA -0.048 4.479 4.527 0.001 0.000 0.299 578 F C 1.976 177.802 175.800 0.043 0.000 1.097 578 F CA 1.093 59.099 58.000 0.010 0.000 1.422 578 F CB -0.338 38.667 39.000 0.008 0.000 1.067 578 F HN 0.015 nan 8.300 nan 0.000 0.539 579 D N -0.950 119.550 120.400 0.166 0.000 2.162 579 D HA -0.227 4.414 4.640 0.001 0.000 0.203 579 D C 2.141 178.507 176.300 0.110 0.000 0.967 579 D CA 0.848 54.925 54.000 0.127 0.000 0.840 579 D CB -0.315 40.547 40.800 0.102 0.000 0.972 579 D HN 0.308 nan 8.370 nan 0.000 0.482 580 Y N 0.385 120.641 120.300 -0.072 0.000 2.181 580 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 580 Y C 2.178 177.944 175.900 -0.223 0.000 1.146 580 Y CA 1.623 59.627 58.100 -0.161 0.000 1.164 580 Y CB -0.443 37.893 38.460 -0.207 0.000 0.982 580 Y HN 0.115 nan 8.280 nan 0.000 0.515 581 C N -0.817 118.503 119.300 0.034 0.000 2.440 581 C HA -0.174 4.287 4.460 0.001 0.000 0.278 581 C C 2.974 178.000 174.990 0.060 0.000 1.295 581 C CA 1.030 59.972 59.018 -0.128 0.000 1.738 581 C CB -1.658 25.872 27.740 -0.350 0.000 1.987 581 C HN 0.784 nan 8.230 nan 0.000 0.492 582 C N 0.020 119.405 119.300 0.141 0.000 2.446 582 C HA -0.066 4.394 4.460 0.001 0.000 0.277 582 C C 2.763 177.833 174.990 0.134 0.000 1.275 582 C CA 0.945 60.088 59.018 0.209 0.000 1.727 582 C CB -1.266 26.569 27.740 0.157 0.000 2.010 582 C HN 0.529 nan 8.230 nan 0.000 0.486 583 V N -0.113 119.837 119.914 0.060 0.000 2.332 583 V HA -0.276 3.844 4.120 0.001 0.000 0.248 583 V C 2.276 178.435 176.094 0.108 0.000 1.055 583 V CA 2.094 64.425 62.300 0.051 0.000 1.038 583 V CB -0.919 30.905 31.823 0.001 0.000 0.651 583 V HN 0.667 nan 8.190 nan 0.000 0.450 584 H N -0.619 118.381 119.070 -0.117 0.000 2.387 584 H HA -0.107 4.449 4.556 0.001 0.000 0.299 584 H C 2.320 177.659 175.328 0.018 0.000 1.090 584 H CA 1.065 57.053 56.048 -0.100 0.000 1.332 584 H CB 0.107 29.764 29.762 -0.174 0.000 1.386 584 H HN 0.485 nan 8.280 nan 0.000 0.516 585 A N 0.028 122.998 122.820 0.251 0.000 1.902 585 A HA -0.177 4.144 4.320 0.001 0.000 0.217 585 A C 2.535 180.164 177.584 0.074 0.000 1.181 585 A CA 1.680 53.830 52.037 0.189 0.000 0.623 585 A CB -0.618 18.498 19.000 0.194 0.000 0.818 585 A HN 0.312 nan 8.150 nan 0.000 0.443 586 S N -0.763 114.981 115.700 0.074 0.000 2.355 586 S HA -0.091 4.379 4.470 0.001 0.000 0.222 586 S C 1.895 176.516 174.600 0.035 0.000 1.031 586 S CA 1.331 59.558 58.200 0.044 0.000 0.993 586 S CB -0.387 62.841 63.200 0.046 0.000 0.859 586 S HN 0.304 nan 8.310 nan 0.000 0.453 587 L N 1.836 123.073 121.223 0.023 0.000 2.013 587 L HA -0.063 4.278 4.340 0.001 0.000 0.212 587 L C 2.742 179.603 176.870 -0.015 0.000 1.073 587 L CA 2.041 56.873 54.840 -0.013 0.000 0.753 587 L CB -1.898 40.118 42.059 -0.072 0.000 0.890 587 L HN 0.363 nan 8.230 nan 0.000 0.432 588 A N -0.241 122.568 122.820 -0.018 0.000 1.829 588 A HA -0.207 4.114 4.320 0.001 0.000 0.216 588 A C 2.319 179.932 177.584 0.049 0.000 1.207 588 A CA 1.938 53.975 52.037 0.001 0.000 0.622 588 A CB -1.070 17.938 19.000 0.013 0.000 0.846 588 A HN 0.376 nan 8.150 nan 0.000 0.447 589 L N -1.087 120.172 121.223 0.060 0.000 2.089 589 L HA -0.271 4.070 4.340 0.001 0.000 0.213 589 L C 2.858 179.856 176.870 0.215 0.000 1.079 589 L CA 2.022 56.944 54.840 0.136 0.000 0.758 589 L CB -0.628 41.419 42.059 -0.020 0.000 0.891 589 L HN 0.478 nan 8.230 nan 0.000 0.433 590 R N 0.117 120.687 120.500 0.117 0.000 2.073 590 R HA -0.166 4.174 4.340 0.001 0.000 0.234 590 R C 2.285 178.628 176.300 0.073 0.000 1.134 590 R CA 1.393 57.552 56.100 0.098 0.000 0.952 590 R CB -0.079 30.256 30.300 0.059 0.000 0.850 590 R HN 0.338 nan 8.270 nan 0.000 0.433 591 E N 0.481 120.712 120.200 0.052 0.000 2.160 591 E HA -0.198 4.152 4.350 0.001 0.000 0.195 591 E C 1.243 177.863 176.600 0.033 0.000 0.991 591 E CA 1.355 57.773 56.400 0.030 0.000 0.810 591 E CB -0.150 29.557 29.700 0.013 0.000 0.742 591 E HN 0.365 nan 8.360 nan 0.000 0.466 592 D N -1.245 119.200 120.400 0.074 0.000 2.363 592 D HA 0.021 4.662 4.640 0.001 0.000 0.226 592 D C 1.061 177.334 176.300 -0.045 0.000 1.020 592 D CA 0.958 54.999 54.000 0.068 0.000 0.892 592 D CB 0.307 41.236 40.800 0.215 0.000 0.900 592 D HN 0.352 nan 8.370 nan 0.000 0.531 593 G N -1.068 107.712 108.800 -0.034 0.000 2.179 593 G HA2 -0.269 3.691 3.960 0.001 0.000 0.220 593 G HA3 -0.269 3.691 3.960 0.001 0.000 0.220 593 G C -0.064 174.743 174.900 -0.155 0.000 0.990 593 G CA -0.404 44.625 45.100 -0.120 0.000 0.646 593 G HN 0.279 nan 8.290 nan 0.000 0.517 594 Y N 0.901 121.201 120.300 -0.000 0.000 2.301 594 Y HA 0.521 5.072 4.550 0.001 0.000 0.328 594 Y C 0.909 176.811 175.900 0.004 0.000 1.242 594 Y CA -0.299 57.801 58.100 0.000 0.000 1.323 594 Y CB 0.827 39.285 38.460 -0.002 0.000 1.266 594 Y HN 0.204 nan 8.280 nan 0.000 0.527 595 E N 1.728 122.043 120.200 0.191 0.000 2.223 595 E HA 0.160 4.511 4.350 0.001 0.000 0.282 595 E C -0.841 175.826 176.600 0.112 0.000 1.046 595 E CA -0.497 55.972 56.400 0.115 0.000 0.857 595 E CB 0.509 30.256 29.700 0.079 0.000 1.055 595 E HN 0.662 nan 8.360 nan 0.000 0.409 596 T N 2.652 117.257 114.554 0.086 0.000 2.795 596 T HA 0.532 4.882 4.350 0.001 0.000 0.282 596 T C 0.073 174.809 174.700 0.061 0.000 0.980 596 T CA -0.752 61.385 62.100 0.060 0.000 1.012 596 T CB 0.531 69.429 68.868 0.051 0.000 0.936 596 T HN 0.326 nan 8.240 nan 0.000 0.457 597 I N 3.451 124.057 120.570 0.060 0.000 2.406 597 I HA 0.437 4.608 4.170 0.001 0.000 0.290 597 I C -0.391 175.777 176.117 0.085 0.000 0.999 597 I CA -1.037 60.321 61.300 0.098 0.000 1.124 597 I CB 1.998 40.070 38.000 0.120 0.000 1.289 597 I HN 0.526 nan 8.210 nan 0.000 0.441 598 M N 7.652 127.314 119.600 0.103 0.000 2.336 598 M HA 0.507 4.988 4.480 0.001 0.000 0.342 598 M C -1.239 175.128 176.300 0.112 0.000 1.128 598 M CA -0.570 54.777 55.300 0.078 0.000 1.016 598 M CB 1.563 34.193 32.600 0.050 0.000 1.665 598 M HN 0.273 nan 8.290 nan 0.000 0.445 599 V N 5.386 125.337 119.914 0.062 0.000 2.376 599 V HA 0.712 4.832 4.120 0.001 0.000 0.287 599 V C -0.545 175.533 176.094 -0.026 0.000 1.015 599 V CA -0.608 61.722 62.300 0.050 0.000 0.834 599 V CB 0.922 32.759 31.823 0.024 0.000 1.001 599 V HN 0.923 nan 8.190 nan 0.000 0.428 600 N N 2.707 121.344 118.700 -0.106 0.000 3.127 600 N HA 0.513 5.254 4.740 0.001 0.000 0.239 600 N C -0.485 174.699 175.510 -0.545 0.000 1.407 600 N CA -0.143 52.775 53.050 -0.219 0.000 0.891 600 N CB 2.014 40.407 38.487 -0.157 0.000 1.447 600 N HN 0.696 nan 8.380 nan 0.000 0.507 601 C N -0.237 118.719 119.300 -0.573 0.000 3.543 601 C HA 0.518 4.979 4.460 0.001 0.000 0.281 601 C C -0.142 174.592 174.990 -0.426 0.000 2.362 601 C CA -1.014 57.419 59.018 -0.975 0.000 1.649 601 C CB -1.579 25.893 27.740 -0.445 0.000 3.429 601 C HN 0.583 nan 8.230 nan 0.000 0.407 602 N N 2.910 121.443 118.700 -0.279 0.000 2.414 602 N HA 0.387 5.127 4.740 0.001 0.000 0.256 602 N C -1.179 174.345 175.510 0.025 0.000 1.029 602 N CA -2.130 50.877 53.050 -0.072 0.000 0.948 602 N CB 1.908 40.354 38.487 -0.069 0.000 1.102 602 N HN 0.223 nan 8.380 nan 0.000 0.496 603 P HA -0.061 nan 4.420 nan 0.000 0.220 603 P C -0.019 177.167 177.300 -0.189 0.000 1.152 603 P CA 1.135 64.293 63.100 0.096 0.000 0.812 603 P CB 0.232 31.970 31.700 0.063 0.000 0.792 604 E N 0.336 120.444 120.200 -0.153 0.000 2.526 604 E HA 0.008 4.359 4.350 0.001 0.000 0.198 604 E C 0.549 177.084 176.600 -0.107 0.000 1.091 604 E CA 0.274 56.565 56.400 -0.182 0.000 0.880 604 E CB -0.681 28.950 29.700 -0.115 0.000 0.873 604 E HN 0.349 nan 8.360 nan 0.000 0.527 605 T N -3.139 111.348 114.554 -0.113 0.000 2.929 605 T HA 0.285 4.636 4.350 0.001 0.000 0.284 605 T C 1.085 175.840 174.700 0.092 0.000 1.014 605 T CA -0.881 61.223 62.100 0.007 0.000 1.051 605 T CB 2.031 70.900 68.868 0.002 0.000 1.028 605 T HN -0.156 nan 8.240 nan 0.000 0.485 606 V N 2.062 122.072 119.914 0.160 0.000 2.719 606 V HA -0.092 4.028 4.120 0.001 0.000 0.252 606 V C 2.981 179.128 176.094 0.089 0.000 1.065 606 V CA 1.886 64.299 62.300 0.188 0.000 1.086 606 V CB -0.762 31.134 31.823 0.121 0.000 0.700 606 V HN 1.097 nan 8.190 nan 0.000 0.467 607 S N 1.040 116.774 115.700 0.055 0.000 2.419 607 S HA -0.185 4.286 4.470 0.001 0.000 0.233 607 S C 1.734 176.335 174.600 0.003 0.000 1.016 607 S CA 1.657 59.874 58.200 0.029 0.000 0.974 607 S CB -0.810 62.409 63.200 0.031 0.000 0.786 607 S HN 0.713 nan 8.310 nan 0.000 0.492 608 T N -1.145 113.406 114.554 -0.005 0.000 3.278 608 T HA 0.242 4.593 4.350 0.001 0.000 0.251 608 T C -0.101 174.565 174.700 -0.057 0.000 1.039 608 T CA -0.469 61.629 62.100 -0.004 0.000 0.935 608 T CB -0.274 68.639 68.868 0.075 0.000 1.034 608 T HN 0.227 nan 8.240 nan 0.000 0.575 609 D N 1.347 121.717 120.400 -0.049 0.000 2.225 609 D HA 0.143 4.784 4.640 0.001 0.000 0.248 609 D C 0.903 177.093 176.300 -0.184 0.000 1.096 609 D CA -0.817 53.108 54.000 -0.126 0.000 0.863 609 D CB 1.022 41.802 40.800 -0.033 0.000 1.156 609 D HN 0.405 nan 8.370 nan 0.000 0.450 610 Y N 1.472 121.729 120.300 -0.072 0.000 2.574 610 Y HA 0.008 4.559 4.550 0.001 0.000 0.294 610 Y C 1.212 177.107 175.900 -0.007 0.000 1.142 610 Y CA 0.469 58.529 58.100 -0.068 0.000 1.314 610 Y CB -0.258 38.180 38.460 -0.037 0.000 0.991 610 Y HN 0.209 nan 8.280 nan 0.000 0.555 611 D N 0.411 120.778 120.400 -0.055 0.000 2.234 611 D HA -0.090 4.551 4.640 0.001 0.000 0.205 611 D C 1.827 178.143 176.300 0.027 0.000 0.962 611 D CA 1.599 55.620 54.000 0.035 0.000 0.855 611 D CB -0.160 40.605 40.800 -0.059 0.000 0.951 611 D HN 0.474 nan 8.370 nan 0.000 0.500 612 T N 0.430 114.983 114.554 -0.002 0.000 2.684 612 T HA -0.075 4.276 4.350 0.001 0.000 0.267 612 T C 1.357 176.075 174.700 0.030 0.000 1.036 612 T CA 1.126 63.232 62.100 0.011 0.000 1.148 612 T CB 0.018 68.890 68.868 0.006 0.000 0.863 612 T HN 0.175 nan 8.240 nan 0.000 0.436 613 S N 0.167 115.890 115.700 0.039 0.000 2.810 613 S HA 0.450 4.921 4.470 0.001 0.000 0.315 613 S C 0.215 174.846 174.600 0.052 0.000 1.138 613 S CA -0.967 57.260 58.200 0.045 0.000 0.889 613 S CB 1.479 64.706 63.200 0.045 0.000 1.236 613 S HN -0.015 nan 8.310 nan 0.000 0.548 614 D N 0.635 121.066 120.400 0.051 0.000 2.103 614 D HA 0.072 4.713 4.640 0.001 0.000 0.199 614 D C 0.284 176.606 176.300 0.037 0.000 0.978 614 D CA 1.204 55.232 54.000 0.047 0.000 0.829 614 D CB 0.117 40.946 40.800 0.048 0.000 0.981 614 D HN 0.385 nan 8.370 nan 0.000 0.464 615 R N -0.088 120.432 120.500 0.034 0.000 2.670 615 R HA 0.550 4.891 4.340 0.001 0.000 0.289 615 R C -1.118 175.184 176.300 0.003 0.000 0.965 615 R CA -0.806 55.288 56.100 -0.009 0.000 0.899 615 R CB 2.359 32.658 30.300 -0.002 0.000 1.173 615 R HN -0.080 nan 8.270 nan 0.000 0.456 616 L N 2.847 124.030 121.223 -0.067 0.000 2.404 616 L HA 0.411 4.752 4.340 0.001 0.000 0.272 616 L C -1.817 175.026 176.870 -0.045 0.000 0.980 616 L CA -0.513 54.330 54.840 0.004 0.000 0.836 616 L CB 1.139 43.205 42.059 0.010 0.000 1.238 616 L HN 0.523 nan 8.230 nan 0.000 0.408 617 Y N 5.247 125.629 120.300 0.137 0.000 2.434 617 Y HA 0.343 4.893 4.550 0.001 0.000 0.341 617 Y C -0.398 175.638 175.900 0.227 0.000 0.965 617 Y CA -0.124 58.084 58.100 0.180 0.000 1.205 617 Y CB 1.087 39.587 38.460 0.067 0.000 1.121 617 Y HN 0.551 nan 8.280 nan 0.000 0.507 618 F N 4.910 125.068 119.950 0.346 0.000 2.567 618 F HA 0.300 4.827 4.527 0.001 0.000 0.352 618 F C -0.147 175.806 175.800 0.255 0.000 1.229 618 F CA -0.152 58.023 58.000 0.292 0.000 1.228 618 F CB -0.228 39.017 39.000 0.408 0.000 1.568 618 F HN 0.416 nan 8.300 nan 0.000 0.634 619 E N 4.233 124.527 120.200 0.157 0.000 2.393 619 E HA 0.380 4.731 4.350 0.001 0.000 0.273 619 E C -2.745 173.877 176.600 0.036 0.000 0.918 619 E CA -2.306 54.194 56.400 0.167 0.000 0.773 619 E CB 1.622 31.460 29.700 0.230 0.000 1.275 619 E HN 0.098 nan 8.360 nan 0.000 0.451 620 P HA 0.079 nan 4.420 nan 0.000 0.271 620 P C -0.122 177.185 177.300 0.011 0.000 1.216 620 P CA -0.272 62.841 63.100 0.021 0.000 0.776 620 P CB 0.458 32.183 31.700 0.040 0.000 0.881 621 V N 3.502 123.408 119.914 -0.014 0.000 2.223 621 V HA 0.183 4.304 4.120 0.001 0.000 0.249 621 V C 0.867 176.956 176.094 -0.009 0.000 1.233 621 V CA 0.224 62.515 62.300 -0.015 0.000 1.131 621 V CB -1.062 30.742 31.823 -0.031 0.000 1.298 621 V HN 0.709 nan 8.190 nan 0.000 0.498 622 T N 0.210 114.766 114.554 0.004 0.000 2.907 622 T HA 0.557 4.908 4.350 0.001 0.000 0.290 622 T C 0.647 175.350 174.700 0.006 0.000 1.066 622 T CA -0.673 61.430 62.100 0.005 0.000 1.012 622 T CB 2.078 70.958 68.868 0.019 0.000 1.184 622 T HN 0.123 nan 8.240 nan 0.000 0.522 623 L N 0.670 121.894 121.223 0.003 0.000 2.017 623 L HA 0.082 4.423 4.340 0.001 0.000 0.208 623 L C 2.659 179.539 176.870 0.017 0.000 1.073 623 L CA 2.209 57.051 54.840 0.003 0.000 0.745 623 L CB -0.814 41.243 42.059 -0.003 0.000 0.894 623 L HN 0.982 nan 8.230 nan 0.000 0.432 624 E N -0.564 119.654 120.200 0.030 0.000 2.049 624 E HA -0.280 4.071 4.350 0.001 0.000 0.198 624 E C 1.722 178.360 176.600 0.064 0.000 1.007 624 E CA 1.875 58.306 56.400 0.051 0.000 0.809 624 E CB -0.217 29.521 29.700 0.063 0.000 0.749 624 E HN 0.622 nan 8.360 nan 0.000 0.450 625 D N -0.008 120.429 120.400 0.063 0.000 2.178 625 D HA -0.128 4.512 4.640 0.001 0.000 0.201 625 D C 2.083 178.408 176.300 0.042 0.000 0.980 625 D CA 0.963 55.009 54.000 0.077 0.000 0.842 625 D CB 0.088 40.940 40.800 0.086 0.000 0.948 625 D HN 0.167 nan 8.370 nan 0.000 0.472 626 V N 1.255 121.175 119.914 0.010 0.000 2.488 626 V HA -0.127 3.994 4.120 0.001 0.000 0.246 626 V C 2.601 178.672 176.094 -0.038 0.000 1.046 626 V CA 0.678 62.959 62.300 -0.032 0.000 1.053 626 V CB -0.223 31.583 31.823 -0.028 0.000 0.679 626 V HN 0.164 nan 8.190 nan 0.000 0.458 627 L N -0.388 120.833 121.223 -0.003 0.000 2.083 627 L HA -0.137 4.204 4.340 0.001 0.000 0.209 627 L C 2.728 179.604 176.870 0.010 0.000 1.083 627 L CA 1.254 56.096 54.840 0.003 0.000 0.752 627 L CB -0.517 41.556 42.059 0.025 0.000 0.899 627 L HN 0.334 nan 8.230 nan 0.000 0.433 628 E N 0.225 120.453 120.200 0.047 0.000 2.110 628 E HA -0.176 4.174 4.350 0.001 0.000 0.193 628 E C 2.232 178.840 176.600 0.014 0.000 0.988 628 E CA 1.252 57.706 56.400 0.091 0.000 0.804 628 E CB -0.118 29.690 29.700 0.180 0.000 0.745 628 E HN 0.538 nan 8.360 nan 0.000 0.458 629 I N 0.237 120.733 120.570 -0.124 0.000 2.353 629 I HA -0.189 3.982 4.170 0.001 0.000 0.248 629 I C 2.371 178.313 176.117 -0.292 0.000 1.119 629 I CA 0.428 61.471 61.300 -0.428 0.000 1.417 629 I CB -0.106 37.474 38.000 -0.702 0.000 1.078 629 I HN -0.092 nan 8.210 nan 0.000 0.421 630 V N 1.073 120.881 119.914 -0.177 0.000 2.343 630 V HA -0.294 3.827 4.120 0.001 0.000 0.247 630 V C 2.651 178.693 176.094 -0.087 0.000 1.051 630 V CA 2.005 64.235 62.300 -0.117 0.000 1.036 630 V CB -0.776 31.002 31.823 -0.075 0.000 0.654 630 V HN 0.443 nan 8.190 nan 0.000 0.451 631 R N 0.645 121.103 120.500 -0.070 0.000 2.117 631 R HA -0.196 4.144 4.340 0.001 0.000 0.243 631 R C 2.180 178.437 176.300 -0.070 0.000 1.143 631 R CA 2.442 58.507 56.100 -0.059 0.000 0.968 631 R CB -0.320 29.949 30.300 -0.052 0.000 0.863 631 R HN 0.737 nan 8.270 nan 0.000 0.444 632 I N -2.830 117.689 120.570 -0.085 0.000 3.081 632 I HA 0.104 4.274 4.170 0.001 0.000 0.274 632 I C 1.402 177.480 176.117 -0.065 0.000 1.178 632 I CA 0.286 61.544 61.300 -0.071 0.000 1.460 632 I CB -0.122 37.843 38.000 -0.058 0.000 1.137 632 I HN -0.080 nan 8.210 nan 0.000 0.443 633 E N 2.030 122.173 120.200 -0.095 0.000 2.107 633 E HA -0.100 4.251 4.350 0.001 0.000 0.191 633 E C 0.319 176.900 176.600 -0.031 0.000 0.982 633 E CA 0.506 56.874 56.400 -0.053 0.000 0.809 633 E CB -0.171 29.492 29.700 -0.061 0.000 0.756 633 E HN 0.466 nan 8.360 nan 0.000 0.459 634 K N 0.719 121.094 120.400 -0.041 0.000 3.244 634 K HA -0.127 4.194 4.320 0.001 0.000 0.270 634 K C -2.479 174.114 176.600 -0.012 0.000 1.016 634 K CA 0.331 56.603 56.287 -0.025 0.000 0.754 634 K CB -1.164 31.326 32.500 -0.017 0.000 1.326 634 K HN 0.231 nan 8.250 nan 0.000 0.465 635 P HA -0.026 nan 4.420 nan 0.000 0.272 635 P C 0.454 177.754 177.300 0.000 0.000 1.240 635 P CA -0.233 62.863 63.100 -0.006 0.000 0.791 635 P CB 0.923 32.610 31.700 -0.022 0.000 0.978 636 K N 0.005 120.415 120.400 0.017 0.000 2.025 636 K HA 0.034 4.355 4.320 0.001 0.000 0.207 636 K C 0.945 177.540 176.600 -0.009 0.000 1.049 636 K CA 1.525 57.827 56.287 0.024 0.000 0.933 636 K CB -0.419 32.126 32.500 0.076 0.000 0.714 636 K HN 0.755 nan 8.250 nan 0.000 0.438 637 G N -0.777 108.000 108.800 -0.038 0.000 2.677 637 G HA2 0.462 4.423 3.960 0.001 0.000 0.291 637 G HA3 0.462 4.423 3.960 0.001 0.000 0.291 637 G C -1.840 173.014 174.900 -0.077 0.000 1.435 637 G CA -0.679 44.385 45.100 -0.060 0.000 0.826 637 G HN -0.037 nan 8.290 nan 0.000 0.491 638 V N 0.714 120.584 119.914 -0.075 0.000 2.656 638 V HA 0.518 4.639 4.120 0.001 0.000 0.307 638 V C -0.294 175.743 176.094 -0.095 0.000 1.051 638 V CA -0.632 61.621 62.300 -0.078 0.000 0.893 638 V CB 1.736 33.524 31.823 -0.058 0.000 0.999 638 V HN 0.650 nan 8.190 nan 0.000 0.426 639 I N 4.559 125.059 120.570 -0.118 0.000 2.321 639 I HA 0.314 4.484 4.170 0.001 0.000 0.291 639 I C 0.710 176.769 176.117 -0.096 0.000 0.998 639 I CA -0.351 60.856 61.300 -0.156 0.000 1.227 639 I CB 1.818 39.656 38.000 -0.271 0.000 1.368 639 I HN 0.605 nan 8.210 nan 0.000 0.466 640 V N 1.916 121.792 119.914 -0.064 0.000 3.380 640 V HA 0.202 4.322 4.120 0.001 0.000 0.307 640 V C 0.936 177.043 176.094 0.022 0.000 1.434 640 V CA 0.163 62.453 62.300 -0.017 0.000 1.075 640 V CB 0.111 31.928 31.823 -0.010 0.000 0.954 640 V HN 0.773 nan 8.190 nan 0.000 0.444 641 Q N -0.679 119.142 119.800 0.035 0.000 2.356 641 Q HA 0.324 4.665 4.340 0.001 0.000 0.205 641 Q C 0.842 177.081 176.000 0.399 0.000 0.901 641 Q CA 0.554 56.448 55.803 0.152 0.000 0.938 641 Q CB 0.130 28.945 28.738 0.129 0.000 1.081 641 Q HN 0.741 nan 8.270 nan 0.000 0.517 642 Y N -1.168 119.174 120.300 0.069 0.000 2.584 642 Y HA 0.488 5.039 4.550 0.001 0.000 0.254 642 Y C 1.144 177.133 175.900 0.148 0.000 1.177 642 Y CA -0.768 57.416 58.100 0.139 0.000 1.216 642 Y CB 0.788 39.312 38.460 0.108 0.000 1.172 642 Y HN 0.012 nan 8.280 nan 0.000 0.529 643 G N -0.856 108.044 108.800 0.166 0.000 4.250 643 G HA2 0.476 4.436 3.960 0.001 0.000 0.295 643 G HA3 0.476 4.436 3.960 0.001 0.000 0.295 643 G C 0.729 175.497 174.900 -0.220 0.000 1.081 643 G CA 0.139 45.257 45.100 0.031 0.000 0.854 643 G HN 0.511 nan 8.290 nan 0.000 0.524 644 G N 0.404 108.881 108.800 -0.538 0.000 2.632 644 G HA2 -0.250 3.711 3.960 0.001 0.000 0.224 644 G HA3 -0.250 3.711 3.960 0.001 0.000 0.224 644 G C 0.677 175.374 174.900 -0.339 0.000 1.341 644 G CA 0.246 44.875 45.100 -0.785 0.000 0.880 644 G HN 0.272 nan 8.290 nan 0.000 0.566 645 Q N 0.183 119.824 119.800 -0.265 0.000 2.224 645 Q HA 0.027 4.368 4.340 0.001 0.000 0.203 645 Q C 2.933 178.898 176.000 -0.057 0.000 0.970 645 Q CA 2.615 58.352 55.803 -0.110 0.000 0.865 645 Q CB -1.038 27.651 28.738 -0.080 0.000 0.922 645 Q HN 0.908 nan 8.270 nan 0.000 0.445 646 T N -0.261 114.241 114.554 -0.088 0.000 2.529 646 T HA -0.137 4.214 4.350 0.001 0.000 0.261 646 T C -1.005 173.674 174.700 -0.035 0.000 1.110 646 T CA 1.474 63.539 62.100 -0.057 0.000 1.192 646 T CB -1.875 66.956 68.868 -0.061 0.000 0.864 646 T HN 0.210 nan 8.240 nan 0.000 0.407 647 P HA 0.059 nan 4.420 nan 0.000 0.222 647 P C 1.601 178.903 177.300 0.003 0.000 1.147 647 P CA 0.420 63.510 63.100 -0.017 0.000 0.790 647 P CB -0.252 31.440 31.700 -0.014 0.000 0.780 648 L N -0.047 121.182 121.223 0.011 0.000 2.056 648 L HA -0.091 4.250 4.340 0.001 0.000 0.207 648 L C 2.298 179.237 176.870 0.115 0.000 1.078 648 L CA 1.995 56.871 54.840 0.060 0.000 0.749 648 L CB -1.025 41.065 42.059 0.051 0.000 0.901 648 L HN -0.160 nan 8.230 nan 0.000 0.433 649 K N -1.102 119.340 120.400 0.070 0.000 2.217 649 K HA -0.049 4.272 4.320 0.001 0.000 0.202 649 K C 1.957 178.525 176.600 -0.052 0.000 1.051 649 K CA 0.847 57.124 56.287 -0.018 0.000 0.952 649 K CB -0.074 32.372 32.500 -0.090 0.000 0.736 649 K HN 0.275 nan 8.250 nan 0.000 0.453 650 L N 0.162 121.371 121.223 -0.024 0.000 2.313 650 L HA -0.059 4.282 4.340 0.001 0.000 0.214 650 L C 2.402 179.265 176.870 -0.012 0.000 1.119 650 L CA 0.365 55.190 54.840 -0.026 0.000 0.809 650 L CB -0.572 41.475 42.059 -0.021 0.000 0.933 650 L HN 0.177 nan 8.230 nan 0.000 0.449 651 A N 0.920 123.745 122.820 0.008 0.000 1.882 651 A HA -0.338 3.983 4.320 0.001 0.000 0.220 651 A C 2.369 179.960 177.584 0.011 0.000 1.253 651 A CA 2.374 54.420 52.037 0.015 0.000 0.664 651 A CB -0.678 18.344 19.000 0.037 0.000 0.838 651 A HN 0.328 nan 8.150 nan 0.000 0.460 652 R N -1.049 119.460 120.500 0.015 0.000 2.097 652 R HA -0.142 4.198 4.340 0.001 0.000 0.236 652 R C 2.565 178.863 176.300 -0.003 0.000 1.135 652 R CA 1.597 57.703 56.100 0.010 0.000 0.934 652 R CB -0.575 29.731 30.300 0.009 0.000 0.846 652 R HN 0.568 nan 8.270 nan 0.000 0.431 653 A N 0.800 123.611 122.820 -0.015 0.000 1.940 653 A HA -0.169 4.152 4.320 0.001 0.000 0.219 653 A C 2.171 179.748 177.584 -0.010 0.000 1.176 653 A CA 1.362 53.389 52.037 -0.016 0.000 0.631 653 A CB -0.581 18.405 19.000 -0.025 0.000 0.814 653 A HN 0.219 nan 8.150 nan 0.000 0.446 654 L N -0.949 120.268 121.223 -0.010 0.000 2.017 654 L HA -0.205 4.136 4.340 0.001 0.000 0.208 654 L C 2.664 179.529 176.870 -0.008 0.000 1.073 654 L CA 1.942 56.775 54.840 -0.010 0.000 0.745 654 L CB -0.490 41.561 42.059 -0.013 0.000 0.894 654 L HN 0.641 nan 8.230 nan 0.000 0.432 655 E N 0.485 120.683 120.200 -0.005 0.000 2.072 655 E HA -0.230 4.121 4.350 0.001 0.000 0.191 655 E C 2.195 178.795 176.600 -0.001 0.000 0.985 655 E CA 1.157 57.555 56.400 -0.003 0.000 0.801 655 E CB -0.061 29.640 29.700 0.003 0.000 0.750 655 E HN 0.409 nan 8.360 nan 0.000 0.452 656 A N 0.865 123.684 122.820 -0.001 0.000 2.019 656 A HA -0.019 4.302 4.320 0.001 0.000 0.219 656 A C 2.173 179.757 177.584 -0.001 0.000 1.164 656 A CA 1.504 53.541 52.037 -0.000 0.000 0.644 656 A CB -0.511 18.488 19.000 -0.002 0.000 0.805 656 A HN 0.385 nan 8.150 nan 0.000 0.449 657 A N -1.805 121.014 122.820 -0.003 0.000 2.370 657 A HA 0.456 4.776 4.320 0.001 0.000 0.238 657 A C 1.580 179.163 177.584 -0.002 0.000 1.289 657 A CA 0.957 52.994 52.037 -0.001 0.000 0.885 657 A CB -1.011 17.989 19.000 -0.000 0.000 0.961 657 A HN 1.818 nan 8.150 nan 0.000 0.499 658 G N -1.398 107.400 108.800 -0.003 0.000 2.176 658 G HA2 -0.219 3.742 3.960 0.001 0.000 0.253 658 G HA3 -0.219 3.742 3.960 0.001 0.000 0.253 658 G C 0.231 175.126 174.900 -0.009 0.000 0.979 658 G CA 0.081 45.178 45.100 -0.005 0.000 0.641 658 G HN 0.824 nan 8.290 nan 0.000 0.530 659 V N 2.159 122.067 119.914 -0.011 0.000 2.637 659 V HA 0.389 4.510 4.120 0.001 0.000 0.296 659 V C -1.190 174.894 176.094 -0.016 0.000 1.046 659 V CA -0.667 61.623 62.300 -0.017 0.000 1.066 659 V CB 1.186 32.997 31.823 -0.021 0.000 0.968 659 V HN 0.235 nan 8.190 nan 0.000 0.483 660 P HA 0.215 nan 4.420 nan 0.000 0.232 660 P C -0.431 176.853 177.300 -0.027 0.000 1.814 660 P CA -0.195 62.893 63.100 -0.019 0.000 1.085 660 P CB 0.402 32.092 31.700 -0.018 0.000 1.901 661 V N 5.396 125.295 119.914 -0.024 0.000 2.479 661 V HA 0.043 4.164 4.120 0.001 0.000 0.281 661 V C 1.271 177.344 176.094 -0.035 0.000 1.031 661 V CA -0.156 62.126 62.300 -0.030 0.000 1.038 661 V CB -0.078 31.734 31.823 -0.019 0.000 0.981 661 V HN 0.362 nan 8.190 nan 0.000 0.478 662 I N 2.947 123.483 120.570 -0.056 0.000 2.797 662 I HA 0.959 5.130 4.170 0.001 0.000 0.310 662 I C 0.806 176.885 176.117 -0.063 0.000 0.990 662 I CA 0.109 61.372 61.300 -0.062 0.000 1.228 662 I CB 1.038 38.985 38.000 -0.089 0.000 1.406 662 I HN 0.834 nan 8.210 nan 0.000 0.534 663 G N 2.858 111.628 108.800 -0.049 0.000 2.642 663 G HA2 -0.200 3.761 3.960 0.001 0.000 0.231 663 G HA3 -0.200 3.761 3.960 0.001 0.000 0.231 663 G C -0.087 174.807 174.900 -0.010 0.000 1.338 663 G CA -0.277 44.801 45.100 -0.035 0.000 0.883 663 G HN 0.989 nan 8.290 nan 0.000 0.570 664 T N 1.407 115.963 114.554 0.004 0.000 2.849 664 T HA 0.387 4.737 4.350 0.001 0.000 0.289 664 T C 1.387 176.094 174.700 0.013 0.000 1.010 664 T CA 0.968 63.077 62.100 0.015 0.000 1.161 664 T CB 0.146 69.027 68.868 0.022 0.000 0.989 664 T HN 1.807 nan 8.240 nan 0.000 0.523 665 S N 4.310 120.020 115.700 0.018 0.000 2.589 665 S HA 0.168 4.639 4.470 0.001 0.000 0.265 665 S C -1.697 172.919 174.600 0.027 0.000 1.342 665 S CA -1.260 56.952 58.200 0.019 0.000 1.005 665 S CB 0.619 63.832 63.200 0.021 0.000 0.909 665 S HN 0.334 nan 8.310 nan 0.000 0.555 666 P HA -0.010 nan 4.420 nan 0.000 0.219 666 P C 0.901 178.234 177.300 0.056 0.000 1.150 666 P CA 1.289 64.416 63.100 0.044 0.000 0.814 666 P CB -0.101 31.620 31.700 0.036 0.000 0.787 667 D N -0.327 120.100 120.400 0.044 0.000 2.123 667 D HA -0.107 4.533 4.640 0.001 0.000 0.200 667 D C 1.938 178.267 176.300 0.048 0.000 0.976 667 D CA 1.234 55.263 54.000 0.049 0.000 0.831 667 D CB -0.538 40.285 40.800 0.038 0.000 0.974 667 D HN -0.075 nan 8.370 nan 0.000 0.469 668 A N 0.210 123.053 122.820 0.038 0.000 1.902 668 A HA -0.127 4.194 4.320 0.001 0.000 0.217 668 A C 2.371 179.970 177.584 0.025 0.000 1.181 668 A CA 1.253 53.311 52.037 0.035 0.000 0.623 668 A CB -0.872 18.147 19.000 0.032 0.000 0.818 668 A HN 0.395 nan 8.150 nan 0.000 0.443 669 I N -0.397 120.187 120.570 0.023 0.000 2.226 669 I HA -0.256 3.915 4.170 0.001 0.000 0.245 669 I C 2.238 178.333 176.117 -0.037 0.000 1.100 669 I CA 1.917 63.216 61.300 -0.001 0.000 1.374 669 I CB -0.353 37.664 38.000 0.029 0.000 1.057 669 I HN 0.430 nan 8.210 nan 0.000 0.413 670 D N 0.598 121.020 120.400 0.037 0.000 2.178 670 D HA -0.182 4.459 4.640 0.001 0.000 0.201 670 D C 2.374 178.684 176.300 0.016 0.000 0.980 670 D CA 1.060 55.096 54.000 0.059 0.000 0.842 670 D CB 0.072 40.969 40.800 0.162 0.000 0.948 670 D HN 0.040 nan 8.370 nan 0.000 0.472 671 R N -0.285 120.239 120.500 0.040 0.000 2.105 671 R HA -0.088 4.253 4.340 0.001 0.000 0.239 671 R C 2.047 178.408 176.300 0.102 0.000 1.135 671 R CA 1.279 57.424 56.100 0.075 0.000 0.967 671 R CB -0.242 30.105 30.300 0.078 0.000 0.861 671 R HN 0.267 nan 8.270 nan 0.000 0.442 672 A N 0.505 123.332 122.820 0.012 0.000 1.911 672 A HA -0.038 4.283 4.320 0.001 0.000 0.212 672 A C 1.845 179.291 177.584 -0.230 0.000 1.189 672 A CA 0.599 52.583 52.037 -0.088 0.000 0.639 672 A CB -0.010 18.907 19.000 -0.139 0.000 0.839 672 A HN 0.115 nan 8.150 nan 0.000 0.449 673 E N 0.698 120.706 120.200 -0.319 0.000 2.152 673 E HA -0.087 4.263 4.350 0.001 0.000 0.192 673 E C -0.078 176.237 176.600 -0.476 0.000 0.983 673 E CA 0.401 56.441 56.400 -0.601 0.000 0.818 673 E CB -0.191 28.803 29.700 -1.176 0.000 0.758 673 E HN 0.509 nan 8.360 nan 0.000 0.467 674 D N 0.870 121.138 120.400 -0.220 0.000 2.325 674 D HA 0.029 4.670 4.640 0.001 0.000 0.251 674 D C 1.004 177.335 176.300 0.051 0.000 1.196 674 D CA -0.115 53.878 54.000 -0.012 0.000 0.866 674 D CB 0.662 41.515 40.800 0.088 0.000 1.101 674 D HN -0.057 nan 8.370 nan 0.000 0.476 675 R N 3.062 123.598 120.500 0.060 0.000 2.120 675 R HA -0.174 4.167 4.340 0.001 0.000 0.234 675 R C 1.693 178.073 176.300 0.134 0.000 1.123 675 R CA 0.955 57.120 56.100 0.108 0.000 0.975 675 R CB 0.020 30.366 30.300 0.078 0.000 0.866 675 R HN 0.580 nan 8.270 nan 0.000 0.446 676 E N 1.054 121.313 120.200 0.099 0.000 2.112 676 E HA -0.095 4.255 4.350 0.001 0.000 0.190 676 E C 2.078 178.732 176.600 0.091 0.000 0.979 676 E CA 0.581 57.024 56.400 0.072 0.000 0.814 676 E CB 0.191 29.923 29.700 0.054 0.000 0.762 676 E HN 0.138 nan 8.360 nan 0.000 0.460 677 R N -0.260 120.316 120.500 0.126 0.000 2.092 677 R HA -0.113 4.227 4.340 0.001 0.000 0.231 677 R C 2.285 178.686 176.300 0.168 0.000 1.119 677 R CA 1.121 57.315 56.100 0.156 0.000 0.970 677 R CB -0.556 29.825 30.300 0.134 0.000 0.864 677 R HN 0.285 nan 8.270 nan 0.000 0.440 678 F N 2.399 122.365 119.950 0.027 0.000 2.146 678 F HA -0.183 4.345 4.527 0.001 0.000 0.298 678 F C 2.664 178.484 175.800 0.033 0.000 1.096 678 F CA 1.549 59.554 58.000 0.009 0.000 1.275 678 F CB -0.484 38.500 39.000 -0.027 0.000 1.008 678 F HN -0.000 nan 8.300 nan 0.000 0.480 679 Q N -0.785 118.991 119.800 -0.041 0.000 2.112 679 Q HA -0.323 4.017 4.340 0.001 0.000 0.206 679 Q C 2.262 178.193 176.000 -0.115 0.000 0.987 679 Q CA 2.220 57.953 55.803 -0.118 0.000 0.858 679 Q CB -0.629 28.106 28.738 -0.004 0.000 0.905 679 Q HN 0.700 nan 8.270 nan 0.000 0.420 680 H N -0.992 117.997 119.070 -0.134 0.000 2.321 680 H HA -0.103 4.454 4.556 0.001 0.000 0.300 680 H C 2.040 177.281 175.328 -0.144 0.000 1.087 680 H CA 0.999 56.984 56.048 -0.104 0.000 1.319 680 H CB 0.063 29.794 29.762 -0.052 0.000 1.379 680 H HN 0.445 nan 8.280 nan 0.000 0.501 681 A N 0.212 122.993 122.820 -0.065 0.000 1.892 681 A HA -0.199 4.122 4.320 0.001 0.000 0.218 681 A C 2.611 180.063 177.584 -0.220 0.000 1.188 681 A CA 1.925 53.860 52.037 -0.170 0.000 0.631 681 A CB -1.009 17.887 19.000 -0.173 0.000 0.822 681 A HN 0.317 nan 8.150 nan 0.000 0.447 682 V N -0.159 119.526 119.914 -0.382 0.000 2.343 682 V HA -0.249 3.872 4.120 0.001 0.000 0.247 682 V C 2.624 178.631 176.094 -0.144 0.000 1.051 682 V CA 2.505 64.616 62.300 -0.314 0.000 1.036 682 V CB -0.721 30.842 31.823 -0.434 0.000 0.654 682 V HN 0.721 nan 8.190 nan 0.000 0.451 683 E N 0.662 120.805 120.200 -0.096 0.000 2.031 683 E HA -0.220 4.131 4.350 0.001 0.000 0.193 683 E C 2.402 178.993 176.600 -0.014 0.000 0.994 683 E CA 1.454 57.838 56.400 -0.027 0.000 0.800 683 E CB -0.409 29.304 29.700 0.021 0.000 0.752 683 E HN 0.354 nan 8.360 nan 0.000 0.447 684 R N -0.185 120.307 120.500 -0.014 0.000 2.159 684 R HA -0.088 4.253 4.340 0.001 0.000 0.237 684 R C 1.879 178.155 176.300 -0.040 0.000 1.131 684 R CA 1.143 57.220 56.100 -0.039 0.000 0.982 684 R CB -0.200 30.033 30.300 -0.112 0.000 0.868 684 R HN 0.291 nan 8.270 nan 0.000 0.453 685 L N -0.120 121.075 121.223 -0.047 0.000 2.567 685 L HA 0.077 4.418 4.340 0.001 0.000 0.225 685 L C 0.328 177.183 176.870 -0.024 0.000 1.119 685 L CA 0.244 55.066 54.840 -0.031 0.000 0.871 685 L CB 0.194 42.234 42.059 -0.031 0.000 1.036 685 L HN 0.036 nan 8.230 nan 0.000 0.459 686 K N 0.164 120.546 120.400 -0.031 0.000 3.167 686 K HA -0.152 4.168 4.320 0.001 0.000 0.272 686 K C -0.476 176.103 176.600 -0.034 0.000 1.137 686 K CA 0.472 56.742 56.287 -0.028 0.000 0.800 686 K CB -1.730 30.757 32.500 -0.021 0.000 1.253 686 K HN 0.215 nan 8.250 nan 0.000 0.497 687 L N -0.100 121.098 121.223 -0.042 0.000 2.400 687 L HA 0.419 4.760 4.340 0.001 0.000 0.264 687 L C 0.505 177.341 176.870 -0.056 0.000 1.061 687 L CA -0.975 53.842 54.840 -0.039 0.000 0.799 687 L CB 1.137 43.186 42.059 -0.016 0.000 1.240 687 L HN 0.021 nan 8.230 nan 0.000 0.461 688 K N 1.599 121.960 120.400 -0.064 0.000 2.185 688 K HA 0.372 4.693 4.320 0.001 0.000 0.269 688 K C -0.993 175.592 176.600 -0.026 0.000 0.987 688 K CA -0.433 55.792 56.287 -0.103 0.000 0.865 688 K CB 1.336 33.674 32.500 -0.270 0.000 1.090 688 K HN 0.605 nan 8.250 nan 0.000 0.450 689 Q N 4.641 124.459 119.800 0.029 0.000 2.501 689 Q HA 0.521 4.862 4.340 0.001 0.000 0.288 689 Q C -2.568 173.544 176.000 0.187 0.000 1.051 689 Q CA -2.026 53.847 55.803 0.117 0.000 0.788 689 Q CB 2.162 30.921 28.738 0.035 0.000 1.469 689 Q HN 0.386 nan 8.270 nan 0.000 0.416 690 P HA 0.188 nan 4.420 nan 0.000 0.282 690 P C -1.282 176.097 177.300 0.132 0.000 1.286 690 P CA -0.288 62.932 63.100 0.200 0.000 0.777 690 P CB 0.165 31.941 31.700 0.126 0.000 1.184 691 A N 1.478 124.376 122.820 0.131 0.000 2.404 691 A HA 0.480 4.801 4.320 0.001 0.000 0.273 691 A C 0.196 177.815 177.584 0.059 0.000 1.144 691 A CA 0.057 52.128 52.037 0.056 0.000 0.806 691 A CB -1.217 17.768 19.000 -0.026 0.000 1.080 691 A HN 0.729 nan 8.150 nan 0.000 0.509 692 N N 0.170 118.888 118.700 0.030 0.000 3.020 692 N HA 0.782 5.522 4.740 0.001 0.000 0.248 692 N C -1.062 174.453 175.510 0.008 0.000 1.480 692 N CA -0.060 53.007 53.050 0.028 0.000 0.874 692 N CB 1.259 39.778 38.487 0.053 0.000 1.433 692 N HN 1.048 nan 8.380 nan 0.000 0.530 693 A N -0.790 122.039 122.820 0.014 0.000 2.574 693 A HA 0.703 5.023 4.320 0.001 0.000 0.297 693 A C -1.281 176.326 177.584 0.039 0.000 1.062 693 A CA -0.621 51.423 52.037 0.011 0.000 0.686 693 A CB 1.360 20.356 19.000 -0.006 0.000 1.285 693 A HN 0.597 nan 8.150 nan 0.000 0.403 694 T N 1.247 115.825 114.554 0.040 0.000 2.799 694 T HA 0.599 4.950 4.350 0.001 0.000 0.286 694 T C -0.664 174.086 174.700 0.084 0.000 0.973 694 T CA -0.082 62.058 62.100 0.068 0.000 1.035 694 T CB 0.818 69.718 68.868 0.054 0.000 0.932 694 T HN 0.688 nan 8.240 nan 0.000 0.469 695 V N 2.623 122.627 119.914 0.149 0.000 3.078 695 V HA 0.513 4.634 4.120 0.001 0.000 0.311 695 V C 0.614 176.883 176.094 0.291 0.000 1.138 695 V CA -0.491 61.922 62.300 0.189 0.000 1.007 695 V CB 2.593 34.506 31.823 0.150 0.000 1.045 695 V HN 0.928 nan 8.190 nan 0.000 0.432 696 T N 1.428 116.132 114.554 0.251 0.000 2.958 696 T HA 0.526 4.877 4.350 0.001 0.000 0.256 696 T C 0.003 174.908 174.700 0.341 0.000 0.983 696 T CA 0.765 63.011 62.100 0.243 0.000 0.924 696 T CB 0.476 69.418 68.868 0.123 0.000 1.136 696 T HN 0.886 nan 8.240 nan 0.000 0.506 697 A N 0.233 123.223 122.820 0.284 0.000 2.475 697 A HA 0.690 5.011 4.320 0.001 0.000 0.301 697 A C 0.953 178.494 177.584 -0.072 0.000 1.059 697 A CA -0.679 51.480 52.037 0.203 0.000 0.710 697 A CB 0.779 19.835 19.000 0.094 0.000 1.288 697 A HN 0.277 nan 8.150 nan 0.000 0.408 698 I N 0.152 120.668 120.570 -0.091 0.000 2.118 698 I HA -0.235 3.935 4.170 0.001 0.000 0.241 698 I C 2.059 178.028 176.117 -0.247 0.000 1.070 698 I CA 1.833 62.942 61.300 -0.319 0.000 1.327 698 I CB -0.492 37.455 38.000 -0.088 0.000 1.034 698 I HN 0.701 nan 8.210 nan 0.000 0.405 699 E N 0.606 120.738 120.200 -0.113 0.000 2.070 699 E HA -0.215 4.136 4.350 0.001 0.000 0.197 699 E C 2.132 178.677 176.600 -0.092 0.000 1.004 699 E CA 1.451 57.803 56.400 -0.079 0.000 0.805 699 E CB -0.319 29.359 29.700 -0.037 0.000 0.744 699 E HN 0.322 nan 8.360 nan 0.000 0.451 700 M N -0.233 119.311 119.600 -0.093 0.000 2.132 700 M HA -0.039 4.441 4.480 0.001 0.000 0.263 700 M C 2.103 178.326 176.300 -0.129 0.000 1.065 700 M CA 1.617 56.868 55.300 -0.081 0.000 1.122 700 M CB -1.036 31.536 32.600 -0.046 0.000 1.365 700 M HN 0.144 nan 8.290 nan 0.000 0.411 701 A N -0.533 122.137 122.820 -0.250 0.000 1.892 701 A HA -0.149 4.171 4.320 0.001 0.000 0.218 701 A C 2.302 179.756 177.584 -0.217 0.000 1.188 701 A CA 2.192 54.023 52.037 -0.342 0.000 0.631 701 A CB -1.184 17.277 19.000 -0.898 0.000 0.822 701 A HN 0.327 nan 8.150 nan 0.000 0.447 702 V N 0.555 120.354 119.914 -0.192 0.000 2.287 702 V HA -0.337 3.784 4.120 0.001 0.000 0.248 702 V C 2.648 178.719 176.094 -0.040 0.000 1.053 702 V CA 2.687 64.941 62.300 -0.076 0.000 1.027 702 V CB -0.913 30.874 31.823 -0.060 0.000 0.646 702 V HN 0.918 nan 8.190 nan 0.000 0.447 703 E N 0.594 120.761 120.200 -0.056 0.000 2.051 703 E HA -0.287 4.064 4.350 0.001 0.000 0.192 703 E C 2.108 178.683 176.600 -0.042 0.000 0.991 703 E CA 1.852 58.230 56.400 -0.037 0.000 0.799 703 E CB -0.316 29.363 29.700 -0.036 0.000 0.748 703 E HN 0.415 nan 8.360 nan 0.000 0.449 704 K N 0.287 120.650 120.400 -0.062 0.000 2.097 704 K HA 0.041 4.362 4.320 0.001 0.000 0.205 704 K C 1.983 178.529 176.600 -0.090 0.000 1.050 704 K CA 1.260 57.508 56.287 -0.065 0.000 0.938 704 K CB -0.506 31.957 32.500 -0.062 0.000 0.718 704 K HN 0.312 nan 8.250 nan 0.000 0.442 705 A N 0.944 123.697 122.820 -0.113 0.000 1.917 705 A HA -0.273 4.047 4.320 0.001 0.000 0.219 705 A C 1.897 179.359 177.584 -0.203 0.000 1.182 705 A CA 2.040 53.948 52.037 -0.215 0.000 0.633 705 A CB -0.475 18.404 19.000 -0.201 0.000 0.819 705 A HN 0.278 nan 8.150 nan 0.000 0.448 706 K N -0.564 119.807 120.400 -0.049 0.000 2.127 706 K HA -0.224 4.097 4.320 0.001 0.000 0.208 706 K C 2.046 178.625 176.600 -0.035 0.000 1.047 706 K CA 1.976 58.272 56.287 0.014 0.000 0.927 706 K CB -0.155 32.362 32.500 0.028 0.000 0.716 706 K HN 0.666 nan 8.250 nan 0.000 0.450 707 E N 0.378 120.540 120.200 -0.063 0.000 2.006 707 E HA -0.121 4.230 4.350 0.001 0.000 0.192 707 E C 1.928 178.463 176.600 -0.108 0.000 0.993 707 E CA 1.222 57.580 56.400 -0.069 0.000 0.808 707 E CB -0.021 29.643 29.700 -0.061 0.000 0.764 707 E HN 0.165 nan 8.360 nan 0.000 0.449 708 I N 0.162 120.652 120.570 -0.134 0.000 2.151 708 I HA -0.159 4.012 4.170 0.001 0.000 0.243 708 I C 1.102 177.062 176.117 -0.262 0.000 1.080 708 I CA 1.089 62.289 61.300 -0.166 0.000 1.339 708 I CB -0.514 37.408 38.000 -0.130 0.000 1.039 708 I HN 0.299 nan 8.210 nan 0.000 0.409 709 G N -0.863 107.786 108.800 -0.251 0.000 2.719 709 G HA2 -0.198 3.763 3.960 0.001 0.000 0.686 709 G HA3 -0.198 3.763 3.960 0.001 0.000 0.686 709 G C -0.777 174.041 174.900 -0.138 0.000 1.201 709 G CA -0.939 44.047 45.100 -0.190 0.000 0.768 709 G HN 0.088 nan 8.290 nan 0.000 0.629 710 Y N 1.512 121.884 120.300 0.119 0.000 2.326 710 Y HA 0.585 5.136 4.550 0.001 0.000 0.324 710 Y C -0.861 175.163 175.900 0.206 0.000 1.291 710 Y CA -1.213 56.971 58.100 0.140 0.000 1.348 710 Y CB 0.437 38.946 38.460 0.083 0.000 1.294 710 Y HN 0.569 nan 8.280 nan 0.000 0.525 711 P HA 0.414 nan 4.420 nan 0.000 0.276 711 P C -1.381 175.956 177.300 0.062 0.000 1.261 711 P CA -0.554 62.617 63.100 0.117 0.000 0.800 711 P CB 1.196 32.667 31.700 -0.381 0.000 1.066 712 L N -0.544 120.655 121.223 -0.039 0.000 2.465 712 L HA 0.523 4.864 4.340 0.001 0.000 0.257 712 L C -1.458 175.385 176.870 -0.046 0.000 0.988 712 L CA -1.057 53.772 54.840 -0.019 0.000 0.827 712 L CB 2.253 44.238 42.059 -0.124 0.000 1.397 712 L HN 0.001 nan 8.230 nan 0.000 0.410 713 V N 3.719 123.642 119.914 0.015 0.000 2.407 713 V HA 0.333 4.454 4.120 0.001 0.000 0.278 713 V C -0.080 176.037 176.094 0.038 0.000 1.037 713 V CA -0.652 61.656 62.300 0.014 0.000 0.900 713 V CB 1.380 33.243 31.823 0.067 0.000 0.983 713 V HN 0.474 nan 8.190 nan 0.000 0.459 714 V N 6.661 126.596 119.914 0.035 0.000 2.353 714 V HA 0.376 4.496 4.120 0.001 0.000 0.264 714 V C 0.350 176.468 176.094 0.040 0.000 1.049 714 V CA -0.403 61.941 62.300 0.074 0.000 0.896 714 V CB 0.138 32.019 31.823 0.096 0.000 1.025 714 V HN 0.853 nan 8.190 nan 0.000 0.475 715 R N 5.944 126.472 120.500 0.047 0.000 2.358 715 R HA 0.432 4.773 4.340 0.001 0.000 0.309 715 R C -2.844 173.464 176.300 0.013 0.000 1.026 715 R CA -1.797 54.319 56.100 0.026 0.000 0.909 715 R CB 1.586 31.904 30.300 0.030 0.000 1.153 715 R HN 0.381 nan 8.270 nan 0.000 0.515 716 P HA 0.033 nan 4.420 nan 0.000 0.272 716 P C -0.224 177.078 177.300 0.004 0.000 1.240 716 P CA -0.159 62.928 63.100 -0.022 0.000 0.791 716 P CB 0.783 32.460 31.700 -0.040 0.000 0.978 717 S N -0.106 115.611 115.700 0.028 0.000 2.617 717 S HA 0.214 4.685 4.470 0.001 0.000 0.269 717 S C -0.413 174.263 174.600 0.126 0.000 1.292 717 S CA -0.055 58.180 58.200 0.057 0.000 1.010 717 S CB -0.555 62.721 63.200 0.125 0.000 0.944 717 S HN 0.432 nan 8.310 nan 0.000 0.536 718 Y N -0.895 119.387 120.300 -0.030 0.000 3.305 718 Y HA -0.201 4.350 4.550 0.001 0.000 0.212 718 Y C 0.147 176.020 175.900 -0.045 0.000 1.248 718 Y CA 0.585 58.663 58.100 -0.038 0.000 1.359 718 Y CB -1.863 36.576 38.460 -0.035 0.000 1.407 718 Y HN 0.424 nan 8.280 nan 0.000 0.572 719 V N -1.594 118.347 119.914 0.045 0.000 3.040 719 V HA 0.934 5.055 4.120 0.001 0.000 0.312 719 V C -0.295 175.796 176.094 -0.005 0.000 1.115 719 V CA -1.050 61.261 62.300 0.017 0.000 0.998 719 V CB 2.324 34.150 31.823 0.006 0.000 1.042 719 V HN 0.281 nan 8.190 nan 0.000 0.433 720 L N 0.476 121.696 121.223 -0.004 0.000 2.183 720 L HA 1.090 5.430 4.340 0.001 0.000 0.253 720 L C 1.209 178.091 176.870 0.020 0.000 1.048 720 L CA -0.070 54.784 54.840 0.024 0.000 0.890 720 L CB 0.467 42.535 42.059 0.014 0.000 1.476 720 L HN 1.676 nan 8.230 nan 0.000 0.455 721 G N -1.226 107.598 108.800 0.041 0.000 2.200 721 G HA2 0.048 4.009 3.960 0.001 0.000 0.267 721 G HA3 0.048 4.009 3.960 0.001 0.000 0.267 721 G C 1.113 175.816 174.900 -0.328 0.000 0.993 721 G CA 0.891 45.859 45.100 -0.221 0.000 0.701 721 G HN 2.299 nan 8.290 nan 0.000 0.524 722 G N -1.152 107.656 108.800 0.013 0.000 2.249 722 G HA2 -0.176 3.784 3.960 0.001 0.000 0.273 722 G HA3 -0.176 3.784 3.960 0.001 0.000 0.273 722 G C 0.371 175.242 174.900 -0.048 0.000 1.036 722 G CA 1.078 46.204 45.100 0.043 0.000 0.824 722 G HN 1.469 nan 8.290 nan 0.000 0.504 723 R N -0.012 120.453 120.500 -0.058 0.000 2.480 723 R HA 0.428 4.769 4.340 0.001 0.000 0.303 723 R C 1.481 177.751 176.300 -0.050 0.000 0.985 723 R CA 1.447 57.507 56.100 -0.067 0.000 1.051 723 R CB -0.418 29.848 30.300 -0.057 0.000 0.935 723 R HN 1.847 nan 8.270 nan 0.000 0.410 724 A N 3.583 126.369 122.820 -0.056 0.000 2.979 724 A HA -0.232 4.089 4.320 0.001 0.000 0.260 724 A C 0.173 177.728 177.584 -0.048 0.000 1.282 724 A CA 1.580 53.594 52.037 -0.038 0.000 0.971 724 A CB -2.105 16.877 19.000 -0.029 0.000 1.124 724 A HN 0.650 nan 8.150 nan 0.000 0.826 725 M N -0.786 118.780 119.600 -0.056 0.000 2.235 725 M HA 0.598 5.079 4.480 0.001 0.000 0.351 725 M C 0.166 176.393 176.300 -0.121 0.000 1.178 725 M CA 0.405 55.673 55.300 -0.053 0.000 1.143 725 M CB 1.045 33.644 32.600 -0.002 0.000 1.530 725 M HN 0.454 nan 8.290 nan 0.000 0.461 726 E N 1.904 122.019 120.200 -0.143 0.000 2.372 726 E HA 0.490 4.841 4.350 0.001 0.000 0.279 726 E C -1.816 174.670 176.600 -0.189 0.000 0.946 726 E CA -0.492 55.755 56.400 -0.256 0.000 0.769 726 E CB 1.889 31.230 29.700 -0.599 0.000 1.230 726 E HN 0.616 nan 8.360 nan 0.000 0.442 727 I N 3.825 124.263 120.570 -0.220 0.000 2.312 727 I HA 0.280 4.451 4.170 0.001 0.000 0.291 727 I C -0.188 175.756 176.117 -0.289 0.000 1.031 727 I CA -0.807 60.306 61.300 -0.313 0.000 1.293 727 I CB 0.846 38.526 38.000 -0.532 0.000 1.403 727 I HN 0.296 nan 8.210 nan 0.000 0.484 728 V N 3.863 123.651 119.914 -0.210 0.000 2.472 728 V HA 0.340 4.461 4.120 0.001 0.000 0.290 728 V C -0.301 175.768 176.094 -0.043 0.000 1.037 728 V CA -0.186 62.118 62.300 0.007 0.000 0.908 728 V CB 1.250 33.199 31.823 0.210 0.000 0.985 728 V HN 0.645 nan 8.190 nan 0.000 0.454 729 Y N 1.980 122.344 120.300 0.106 0.000 2.462 729 Y HA 0.324 4.875 4.550 0.001 0.000 0.253 729 Y C 0.568 176.255 175.900 -0.356 0.000 1.095 729 Y CA 0.212 58.311 58.100 -0.002 0.000 1.283 729 Y CB 0.673 39.119 38.460 -0.024 0.000 1.138 729 Y HN 1.006 nan 8.280 nan 0.000 0.522 730 D N -2.733 117.453 120.400 -0.357 0.000 2.713 730 D HA 0.052 4.692 4.640 0.001 0.000 0.306 730 D C 0.507 176.615 176.300 -0.320 0.000 1.299 730 D CA -0.657 52.916 54.000 -0.712 0.000 0.823 730 D CB 0.290 40.883 40.800 -0.345 0.000 1.353 730 D HN -0.079 nan 8.370 nan 0.000 0.447 731 E N -0.258 119.811 120.200 -0.219 0.000 2.065 731 E HA -0.312 4.039 4.350 0.001 0.000 0.201 731 E C 1.844 178.463 176.600 0.033 0.000 1.016 731 E CA 2.133 58.539 56.400 0.011 0.000 0.818 731 E CB -0.324 29.376 29.700 0.000 0.000 0.749 731 E HN 0.506 nan 8.360 nan 0.000 0.453 732 A N 0.326 123.144 122.820 -0.003 0.000 2.066 732 A HA -0.163 4.158 4.320 0.001 0.000 0.218 732 A C 1.673 179.279 177.584 0.037 0.000 1.157 732 A CA 1.589 53.631 52.037 0.008 0.000 0.670 732 A CB -0.312 18.681 19.000 -0.012 0.000 0.804 732 A HN 0.270 nan 8.150 nan 0.000 0.453 733 D N -0.569 119.877 120.400 0.076 0.000 2.117 733 D HA -0.121 4.520 4.640 0.001 0.000 0.198 733 D C 1.818 178.263 176.300 0.242 0.000 0.982 733 D CA 1.082 55.189 54.000 0.179 0.000 0.828 733 D CB -0.157 40.784 40.800 0.236 0.000 0.967 733 D HN 0.309 nan 8.370 nan 0.000 0.464 734 L N 1.288 122.640 121.223 0.216 0.000 1.971 734 L HA -0.180 4.161 4.340 0.001 0.000 0.215 734 L C 1.909 178.893 176.870 0.190 0.000 1.072 734 L CA 1.849 56.827 54.840 0.231 0.000 0.758 734 L CB -0.501 41.675 42.059 0.195 0.000 0.889 734 L HN -0.040 nan 8.230 nan 0.000 0.433 735 R N -0.925 119.634 120.500 0.099 0.000 2.159 735 R HA -0.158 4.183 4.340 0.001 0.000 0.237 735 R C 2.409 178.736 176.300 0.046 0.000 1.131 735 R CA 1.290 57.432 56.100 0.070 0.000 0.982 735 R CB -0.576 29.739 30.300 0.026 0.000 0.868 735 R HN 0.417 nan 8.270 nan 0.000 0.453 736 R N -0.003 120.481 120.500 -0.027 0.000 2.119 736 R HA -0.081 4.260 4.340 0.001 0.000 0.222 736 R C 0.787 176.901 176.300 -0.311 0.000 1.088 736 R CA 1.243 57.213 56.100 -0.217 0.000 0.984 736 R CB 0.208 30.279 30.300 -0.382 0.000 0.884 736 R HN 0.271 nan 8.270 nan 0.000 0.447 737 Y N -2.247 118.116 120.300 0.105 0.000 2.445 737 Y HA 0.073 4.623 4.550 0.001 0.000 0.247 737 Y C 1.275 177.244 175.900 0.114 0.000 1.129 737 Y CA -0.571 57.584 58.100 0.091 0.000 1.251 737 Y CB -0.060 38.449 38.460 0.082 0.000 1.176 737 Y HN -0.053 nan 8.280 nan 0.000 0.522 738 F N 1.245 121.277 119.950 0.136 0.000 2.069 738 F HA -0.289 4.238 4.527 0.001 0.000 0.298 738 F C 2.493 178.331 175.800 0.065 0.000 1.113 738 F CA 1.938 59.993 58.000 0.092 0.000 1.214 738 F CB -0.141 38.903 39.000 0.072 0.000 0.978 738 F HN -0.014 nan 8.300 nan 0.000 0.474 739 Q N 0.141 119.995 119.800 0.091 0.000 2.096 739 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 739 Q C 2.166 178.129 176.000 -0.063 0.000 0.982 739 Q CA 2.520 58.320 55.803 -0.005 0.000 0.850 739 Q CB -0.995 27.765 28.738 0.038 0.000 0.901 739 Q HN 0.469 nan 8.270 nan 0.000 0.422 740 T N 0.079 114.624 114.554 -0.016 0.000 2.720 740 T HA -0.163 4.188 4.350 0.001 0.000 0.268 740 T C 1.788 176.450 174.700 -0.063 0.000 1.037 740 T CA 1.557 63.649 62.100 -0.013 0.000 1.144 740 T CB -0.624 68.276 68.868 0.053 0.000 0.864 740 T HN 0.401 nan 8.240 nan 0.000 0.444 741 A N 1.288 124.043 122.820 -0.109 0.000 1.883 741 A HA -0.074 4.246 4.320 0.001 0.000 0.217 741 A C 2.647 180.092 177.584 -0.231 0.000 1.186 741 A CA 1.729 53.660 52.037 -0.177 0.000 0.624 741 A CB -1.160 17.691 19.000 -0.249 0.000 0.822 741 A HN 0.373 nan 8.150 nan 0.000 0.444 742 V N 1.085 120.798 119.914 -0.335 0.000 2.261 742 V HA -0.266 3.855 4.120 0.001 0.000 0.246 742 V C 2.942 178.958 176.094 -0.130 0.000 1.047 742 V CA 2.367 64.512 62.300 -0.258 0.000 1.015 742 V CB -1.296 30.357 31.823 -0.284 0.000 0.642 742 V HN 0.822 nan 8.190 nan 0.000 0.446 743 S N 1.438 117.076 115.700 -0.103 0.000 2.423 743 S HA -0.196 4.275 4.470 0.001 0.000 0.238 743 S C 1.754 176.316 174.600 -0.062 0.000 1.028 743 S CA 1.911 60.070 58.200 -0.068 0.000 1.000 743 S CB -0.868 62.300 63.200 -0.053 0.000 0.797 743 S HN 0.795 nan 8.310 nan 0.000 0.487 744 V N -2.354 117.522 119.914 -0.064 0.000 3.621 744 V HA 0.397 4.518 4.120 0.001 0.000 0.285 744 V C 1.922 177.999 176.094 -0.028 0.000 1.346 744 V CA 0.643 62.915 62.300 -0.046 0.000 1.104 744 V CB -0.305 31.493 31.823 -0.042 0.000 0.913 744 V HN 0.393 nan 8.190 nan 0.000 0.432 745 S N 1.563 117.240 115.700 -0.038 0.000 2.547 745 S HA -0.076 4.394 4.470 0.001 0.000 0.235 745 S C 1.264 175.883 174.600 0.032 0.000 0.980 745 S CA 0.998 59.196 58.200 -0.004 0.000 0.941 745 S CB -1.114 62.063 63.200 -0.038 0.000 0.763 745 S HN 0.899 nan 8.310 nan 0.000 0.532 746 N N 0.959 119.645 118.700 -0.022 0.000 2.740 746 N HA -0.216 4.525 4.740 0.001 0.000 0.248 746 N C -0.979 174.487 175.510 -0.072 0.000 1.062 746 N CA 0.724 53.722 53.050 -0.087 0.000 0.704 746 N CB -1.053 37.305 38.487 -0.216 0.000 0.968 746 N HN 0.318 nan 8.380 nan 0.000 0.547 747 D N -2.544 117.835 120.400 -0.036 0.000 3.059 747 D HA -0.178 4.463 4.640 0.001 0.000 0.220 747 D C -0.010 176.301 176.300 0.019 0.000 1.169 747 D CA 1.493 55.483 54.000 -0.017 0.000 0.902 747 D CB -1.215 39.565 40.800 -0.033 0.000 1.116 747 D HN 0.737 nan 8.370 nan 0.000 0.417 748 A N -0.431 122.417 122.820 0.047 0.000 2.354 748 A HA 0.777 5.097 4.320 0.001 0.000 0.321 748 A C -2.511 175.112 177.584 0.065 0.000 1.125 748 A CA -1.215 50.878 52.037 0.094 0.000 0.799 748 A CB 1.626 20.746 19.000 0.201 0.000 1.293 748 A HN -0.094 nan 8.150 nan 0.000 0.452 749 P HA 0.370 nan 4.420 nan 0.000 0.276 749 P C -0.774 176.557 177.300 0.052 0.000 1.244 749 P CA -0.276 62.863 63.100 0.065 0.000 0.801 749 P CB 0.762 32.509 31.700 0.078 0.000 1.006 750 V N 2.800 122.746 119.914 0.054 0.000 2.407 750 V HA 0.190 4.311 4.120 0.001 0.000 0.278 750 V C 0.502 176.668 176.094 0.120 0.000 1.037 750 V CA -0.621 61.702 62.300 0.039 0.000 0.900 750 V CB 0.901 32.670 31.823 -0.090 0.000 0.983 750 V HN 0.400 nan 8.190 nan 0.000 0.459 751 L N 6.072 127.350 121.223 0.091 0.000 2.371 751 L HA 0.478 4.819 4.340 0.001 0.000 0.272 751 L C -0.642 176.296 176.870 0.114 0.000 1.124 751 L CA 0.139 55.039 54.840 0.099 0.000 0.816 751 L CB 0.924 43.032 42.059 0.082 0.000 1.129 751 L HN 0.471 nan 8.230 nan 0.000 0.448 752 L N 4.974 126.257 121.223 0.101 0.000 2.301 752 L HA 0.460 4.801 4.340 0.001 0.000 0.278 752 L C -0.836 176.066 176.870 0.052 0.000 1.022 752 L CA -0.047 54.839 54.840 0.077 0.000 0.854 752 L CB 0.749 42.837 42.059 0.047 0.000 1.226 752 L HN 0.565 nan 8.230 nan 0.000 0.429 753 D N 1.070 121.505 120.400 0.059 0.000 2.308 753 D HA 0.148 4.789 4.640 0.001 0.000 0.242 753 D C -0.250 176.105 176.300 0.092 0.000 1.059 753 D CA -0.300 53.744 54.000 0.073 0.000 0.830 753 D CB 1.073 41.914 40.800 0.069 0.000 1.161 753 D HN 0.382 nan 8.370 nan 0.000 0.494 754 H N 4.018 123.084 119.070 -0.008 0.000 3.004 754 H HA -0.021 4.535 4.556 0.001 0.000 0.316 754 H C -0.357 174.988 175.328 0.028 0.000 1.014 754 H CA -0.217 55.826 56.048 -0.009 0.000 1.454 754 H CB 0.367 30.112 29.762 -0.029 0.000 1.472 754 H HN 0.289 nan 8.280 nan 0.000 0.571 755 F N 6.057 125.688 119.950 -0.531 0.000 2.578 755 F HA 0.071 4.599 4.527 0.001 0.000 0.381 755 F C -0.544 174.921 175.800 -0.560 0.000 1.069 755 F CA -0.323 57.406 58.000 -0.452 0.000 1.231 755 F CB 0.201 39.007 39.000 -0.323 0.000 1.086 755 F HN 0.484 nan 8.300 nan 0.000 0.564 756 L N 7.152 127.646 121.223 -1.215 0.000 2.315 756 L HA 0.191 4.532 4.340 0.001 0.000 0.278 756 L C -0.382 175.774 176.870 -1.190 0.000 1.088 756 L CA -1.011 53.222 54.840 -1.011 0.000 0.899 756 L CB -0.233 41.396 42.059 -0.718 0.000 1.277 756 L HN 0.564 nan 8.230 nan 0.000 0.431 757 D N 1.498 121.401 120.400 -0.829 0.000 2.400 757 D HA -0.057 4.584 4.640 0.001 0.000 0.238 757 D C 0.264 176.414 176.300 -0.251 0.000 1.157 757 D CA -0.377 53.397 54.000 -0.376 0.000 0.889 757 D CB 0.430 41.191 40.800 -0.064 0.000 1.199 757 D HN 0.374 nan 8.370 nan 0.000 0.436 758 D N -0.947 119.387 120.400 -0.110 0.000 2.706 758 D HA -0.140 4.500 4.640 0.001 0.000 0.230 758 D C -0.428 175.801 176.300 -0.119 0.000 1.184 758 D CA 1.176 55.129 54.000 -0.077 0.000 0.628 758 D CB -1.245 39.528 40.800 -0.045 0.000 1.019 758 D HN 0.632 nan 8.370 nan 0.000 0.415 759 A N -0.400 122.327 122.820 -0.154 0.000 2.355 759 A HA 0.665 4.985 4.320 0.001 0.000 0.324 759 A C 0.117 177.641 177.584 -0.100 0.000 1.117 759 A CA -0.660 51.282 52.037 -0.159 0.000 0.785 759 A CB 1.843 20.685 19.000 -0.263 0.000 1.254 759 A HN 0.040 nan 8.150 nan 0.000 0.453 760 V N 1.382 121.245 119.914 -0.086 0.000 2.607 760 V HA 0.306 4.426 4.120 0.001 0.000 0.289 760 V C 0.447 176.488 176.094 -0.088 0.000 1.053 760 V CA -0.340 61.918 62.300 -0.070 0.000 0.996 760 V CB 1.308 33.077 31.823 -0.091 0.000 0.995 760 V HN 0.971 nan 8.190 nan 0.000 0.476 761 E N 2.596 122.720 120.200 -0.126 0.000 2.204 761 E HA 0.655 5.005 4.350 0.001 0.000 0.276 761 E C -1.615 174.630 176.600 -0.592 0.000 0.974 761 E CA -0.451 55.756 56.400 -0.323 0.000 0.815 761 E CB 1.881 31.421 29.700 -0.266 0.000 1.119 761 E HN 0.488 nan 8.360 nan 0.000 0.393 762 V N 3.814 123.497 119.914 -0.385 0.000 2.709 762 V HA 0.325 4.446 4.120 0.001 0.000 0.308 762 V C -0.717 175.371 176.094 -0.011 0.000 1.062 762 V CA -0.932 61.261 62.300 -0.178 0.000 0.901 762 V CB 2.119 33.958 31.823 0.026 0.000 1.003 762 V HN 0.742 nan 8.190 nan 0.000 0.425 763 D N 1.900 122.356 120.400 0.093 0.000 2.362 763 D HA 0.667 5.307 4.640 0.001 0.000 0.247 763 D C -1.327 175.080 176.300 0.179 0.000 1.050 763 D CA -0.108 53.991 54.000 0.164 0.000 0.839 763 D CB 2.667 43.601 40.800 0.222 0.000 1.283 763 D HN 0.300 nan 8.370 nan 0.000 0.477 764 V N 2.980 122.995 119.914 0.169 0.000 2.525 764 V HA 0.211 4.331 4.120 0.001 0.000 0.299 764 V C -0.561 175.593 176.094 0.099 0.000 1.034 764 V CA -0.930 61.465 62.300 0.159 0.000 0.863 764 V CB 2.111 34.076 31.823 0.237 0.000 0.999 764 V HN 0.402 nan 8.190 nan 0.000 0.423 765 D N 3.869 124.318 120.400 0.082 0.000 2.232 765 D HA 0.778 5.418 4.640 0.001 0.000 0.242 765 D C -0.028 176.296 176.300 0.040 0.000 1.093 765 D CA 0.240 54.272 54.000 0.053 0.000 0.845 765 D CB 2.312 43.142 40.800 0.048 0.000 1.124 765 D HN 0.796 nan 8.370 nan 0.000 0.467 766 A N 2.467 125.302 122.820 0.026 0.000 2.594 766 A HA 0.748 5.069 4.320 0.001 0.000 0.291 766 A C -1.043 176.544 177.584 0.004 0.000 1.105 766 A CA -0.659 51.383 52.037 0.010 0.000 0.694 766 A CB 1.314 20.312 19.000 -0.004 0.000 1.291 766 A HN 0.504 nan 8.150 nan 0.000 0.410 767 I N 0.267 120.834 120.570 -0.005 0.000 2.509 767 I HA 0.484 4.654 4.170 0.001 0.000 0.293 767 I C -0.697 175.399 176.117 -0.035 0.000 1.020 767 I CA -0.550 60.752 61.300 0.002 0.000 1.088 767 I CB 1.838 39.853 38.000 0.025 0.000 1.267 767 I HN 0.668 nan 8.210 nan 0.000 0.430 768 C N 5.226 124.501 119.300 -0.040 0.000 2.408 768 C HA 0.465 4.926 4.460 0.001 0.000 0.321 768 C C 0.353 175.341 174.990 -0.003 0.000 1.245 768 C CA -0.449 58.519 59.018 -0.084 0.000 1.523 768 C CB 0.711 28.343 27.740 -0.179 0.000 2.178 768 C HN 0.927 nan 8.230 nan 0.000 0.488 769 D N 1.950 122.375 120.400 0.041 0.000 2.440 769 D HA 0.281 4.922 4.640 0.001 0.000 0.216 769 D C 1.365 177.733 176.300 0.114 0.000 1.150 769 D CA 0.606 54.648 54.000 0.070 0.000 0.832 769 D CB 0.027 40.863 40.800 0.061 0.000 0.992 769 D HN 1.335 nan 8.370 nan 0.000 0.502 770 G N 0.425 109.336 108.800 0.185 0.000 2.253 770 G HA2 -0.387 3.574 3.960 0.001 0.000 0.251 770 G HA3 -0.387 3.574 3.960 0.001 0.000 0.251 770 G C 0.951 176.035 174.900 0.307 0.000 0.998 770 G CA 0.479 45.735 45.100 0.259 0.000 0.621 770 G HN 0.445 nan 8.290 nan 0.000 0.524 771 E N -0.478 119.884 120.200 0.269 0.000 2.152 771 E HA 0.421 4.772 4.350 0.001 0.000 0.195 771 E C 1.444 178.232 176.600 0.314 0.000 0.934 771 E CA 0.786 57.297 56.400 0.186 0.000 0.869 771 E CB 0.093 29.859 29.700 0.110 0.000 0.842 771 E HN 0.716 nan 8.360 nan 0.000 0.472 772 M N -0.756 119.030 119.600 0.309 0.000 2.618 772 M HA 0.540 5.021 4.480 0.001 0.000 0.281 772 M C -1.269 175.079 176.300 0.079 0.000 1.267 772 M CA -1.022 54.447 55.300 0.281 0.000 0.845 772 M CB 2.405 35.095 32.600 0.149 0.000 1.732 772 M HN -0.335 nan 8.290 nan 0.000 0.461 773 V N 2.439 122.341 119.914 -0.020 0.000 2.409 773 V HA 0.506 4.627 4.120 0.001 0.000 0.291 773 V C -0.964 175.103 176.094 -0.045 0.000 1.020 773 V CA -0.629 61.588 62.300 -0.137 0.000 0.848 773 V CB 1.487 33.133 31.823 -0.297 0.000 0.990 773 V HN 0.748 nan 8.190 nan 0.000 0.430 774 L N 6.542 127.745 121.223 -0.033 0.000 2.280 774 L HA 0.565 4.906 4.340 0.001 0.000 0.287 774 L C -0.326 176.537 176.870 -0.012 0.000 1.023 774 L CA 0.038 54.871 54.840 -0.012 0.000 0.819 774 L CB 0.857 42.916 42.059 0.000 0.000 1.212 774 L HN 0.448 nan 8.230 nan 0.000 0.420 775 I N 5.840 126.405 120.570 -0.008 0.000 2.379 775 I HA 0.167 4.338 4.170 0.001 0.000 0.290 775 I C 1.389 177.506 176.117 -0.000 0.000 1.063 775 I CA 0.296 61.596 61.300 0.000 0.000 1.351 775 I CB 0.750 38.750 38.000 0.001 0.000 1.410 775 I HN 0.854 nan 8.210 nan 0.000 0.505 776 G N 5.433 114.238 108.800 0.009 0.000 2.395 776 G HA2 0.233 4.193 3.960 0.001 0.000 0.214 776 G HA3 0.233 4.193 3.960 0.001 0.000 0.214 776 G C 0.650 175.551 174.900 0.002 0.000 1.177 776 G CA 0.656 45.758 45.100 0.004 0.000 0.794 776 G HN 0.782 nan 8.290 nan 0.000 0.532 777 G N -1.034 107.783 108.800 0.027 0.000 2.596 777 G HA2 0.438 4.399 3.960 0.001 0.000 0.296 777 G HA3 0.438 4.399 3.960 0.001 0.000 0.296 777 G C -1.522 173.427 174.900 0.081 0.000 1.513 777 G CA -0.876 44.250 45.100 0.043 0.000 0.851 777 G HN 0.165 nan 8.290 nan 0.000 0.548 778 I N 1.559 122.179 120.570 0.083 0.000 2.330 778 I HA 0.406 4.577 4.170 0.001 0.000 0.289 778 I C -0.119 176.089 176.117 0.151 0.000 1.001 778 I CA -0.439 60.921 61.300 0.100 0.000 1.193 778 I CB 1.705 39.734 38.000 0.049 0.000 1.345 778 I HN 0.236 nan 8.210 nan 0.000 0.461 779 M N 6.038 125.754 119.600 0.193 0.000 2.227 779 M HA 0.336 4.817 4.480 0.001 0.000 0.335 779 M C -0.240 176.217 176.300 0.262 0.000 1.053 779 M CA -0.342 55.120 55.300 0.270 0.000 0.973 779 M CB 2.016 34.804 32.600 0.314 0.000 1.623 779 M HN 0.471 nan 8.290 nan 0.000 0.434 780 E N 3.302 123.680 120.200 0.297 0.000 2.197 780 E HA 0.258 4.609 4.350 0.001 0.000 0.281 780 E C -1.063 175.793 176.600 0.427 0.000 0.995 780 E CA -0.441 56.114 56.400 0.258 0.000 0.808 780 E CB 0.937 30.738 29.700 0.168 0.000 1.093 780 E HN 0.677 nan 8.360 nan 0.000 0.394 781 H N 3.126 122.312 119.070 0.193 0.000 2.551 781 H HA 0.087 4.644 4.556 0.001 0.000 0.358 781 H C 0.696 176.184 175.328 0.267 0.000 1.151 781 H CA -0.928 55.238 56.048 0.196 0.000 1.374 781 H CB 1.295 31.132 29.762 0.126 0.000 1.473 781 H HN 0.517 nan 8.280 nan 0.000 0.574 782 I N 0.949 121.760 120.570 0.401 0.000 2.188 782 I HA -0.109 4.061 4.170 0.001 0.000 0.237 782 I C 0.600 176.879 176.117 0.271 0.000 1.073 782 I CA 1.005 62.515 61.300 0.351 0.000 1.359 782 I CB -0.202 37.991 38.000 0.322 0.000 1.083 782 I HN 0.598 nan 8.210 nan 0.000 0.412 783 E N 2.114 122.455 120.200 0.236 0.000 2.392 783 E HA 0.058 4.409 4.350 0.001 0.000 0.264 783 E C 0.160 176.887 176.600 0.211 0.000 1.024 783 E CA -0.277 56.242 56.400 0.199 0.000 0.903 783 E CB 0.180 29.980 29.700 0.167 0.000 0.963 783 E HN 0.162 nan 8.360 nan 0.000 0.432 784 Q N 1.411 121.310 119.800 0.165 0.000 2.471 784 Q HA 0.270 4.611 4.340 0.001 0.000 0.223 784 Q C -0.338 175.748 176.000 0.144 0.000 1.045 784 Q CA -0.535 55.345 55.803 0.127 0.000 0.956 784 Q CB 0.408 29.201 28.738 0.093 0.000 1.249 784 Q HN 0.486 nan 8.270 nan 0.000 0.549 785 A N -0.246 122.616 122.820 0.070 0.000 2.540 785 A HA 0.435 4.756 4.320 0.001 0.000 0.239 785 A C 1.133 178.818 177.584 0.168 0.000 1.061 785 A CA 0.824 52.897 52.037 0.059 0.000 0.758 785 A CB -0.810 18.149 19.000 -0.069 0.000 0.991 785 A HN 1.394 nan 8.150 nan 0.000 0.502 786 G N 0.734 109.674 108.800 0.233 0.000 2.428 786 G HA2 -0.109 3.852 3.960 0.001 0.000 0.199 786 G HA3 -0.109 3.852 3.960 0.001 0.000 0.199 786 G C 0.058 175.075 174.900 0.196 0.000 1.005 786 G CA 0.010 45.314 45.100 0.341 0.000 0.671 786 G HN 1.408 nan 8.290 nan 0.000 0.485 787 V N 3.319 123.343 119.914 0.183 0.000 2.350 787 V HA 0.428 4.549 4.120 0.001 0.000 0.276 787 V C 0.733 176.926 176.094 0.164 0.000 1.028 787 V CA -1.020 61.380 62.300 0.167 0.000 0.860 787 V CB 1.293 33.210 31.823 0.157 0.000 0.990 787 V HN 0.418 nan 8.190 nan 0.000 0.453 788 H N 3.705 122.820 119.070 0.075 0.000 3.140 788 H HA -0.085 4.472 4.556 0.001 0.000 0.316 788 H C 1.715 177.054 175.328 0.018 0.000 0.986 788 H CA 1.072 57.151 56.048 0.052 0.000 1.397 788 H CB 1.135 30.910 29.762 0.022 0.000 1.377 788 H HN 0.938 nan 8.280 nan 0.000 0.585 789 S N 2.962 118.548 115.700 -0.190 0.000 2.389 789 S HA -0.204 4.267 4.470 0.001 0.000 0.231 789 S C 2.222 176.774 174.600 -0.080 0.000 1.052 789 S CA 1.344 59.456 58.200 -0.147 0.000 1.053 789 S CB -0.708 62.453 63.200 -0.064 0.000 0.886 789 S HN 0.749 nan 8.310 nan 0.000 0.456 790 G N 0.467 109.424 108.800 0.263 0.000 2.598 790 G HA2 0.002 3.962 3.960 0.001 0.000 0.215 790 G HA3 0.002 3.962 3.960 0.001 0.000 0.215 790 G C 0.776 175.697 174.900 0.036 0.000 1.131 790 G CA 0.775 45.961 45.100 0.144 0.000 0.785 790 G HN 0.580 nan 8.290 nan 0.000 0.539 791 D N -0.464 119.975 120.400 0.065 0.000 2.433 791 D HA 0.188 4.829 4.640 0.001 0.000 0.211 791 D C 0.770 177.071 176.300 0.001 0.000 1.114 791 D CA 0.026 54.043 54.000 0.029 0.000 0.837 791 D CB 0.726 41.569 40.800 0.072 0.000 0.984 791 D HN 0.069 nan 8.370 nan 0.000 0.505 792 S N 0.384 116.041 115.700 -0.071 0.000 2.616 792 S HA 0.698 5.168 4.470 0.001 0.000 0.277 792 S C 0.262 174.789 174.600 -0.121 0.000 1.234 792 S CA -0.754 57.388 58.200 -0.096 0.000 1.028 792 S CB 1.849 64.882 63.200 -0.278 0.000 0.988 792 S HN 0.206 nan 8.310 nan 0.000 0.522 793 A N 0.592 123.406 122.820 -0.010 0.000 2.271 793 A HA 0.723 5.044 4.320 0.001 0.000 0.288 793 A C 0.219 177.820 177.584 0.029 0.000 1.094 793 A CA -0.581 51.452 52.037 -0.006 0.000 0.828 793 A CB -0.222 18.851 19.000 0.121 0.000 1.091 793 A HN 1.253 nan 8.150 nan 0.000 0.493 794 C N -0.795 118.515 119.300 0.016 0.000 3.288 794 C HA 0.872 5.333 4.460 0.001 0.000 0.318 794 C C -0.322 174.813 174.990 0.242 0.000 1.356 794 C CA -0.408 58.700 59.018 0.150 0.000 1.359 794 C CB 0.923 28.730 27.740 0.111 0.000 1.688 794 C HN 1.186 nan 8.230 nan 0.000 0.467 795 S N 0.826 116.768 115.700 0.402 0.000 2.513 795 S HA 0.816 5.287 4.470 0.001 0.000 0.299 795 S C -1.346 173.557 174.600 0.505 0.000 1.087 795 S CA -0.555 57.954 58.200 0.515 0.000 1.012 795 S CB 1.219 64.802 63.200 0.638 0.000 1.044 795 S HN 1.097 nan 8.310 nan 0.000 0.485 796 L N 5.887 127.414 121.223 0.506 0.000 2.446 796 L HA 0.561 4.902 4.340 0.001 0.000 0.268 796 L C -2.594 174.404 176.870 0.213 0.000 0.975 796 L CA -2.080 52.959 54.840 0.332 0.000 0.848 796 L CB 2.295 44.513 42.059 0.265 0.000 1.225 796 L HN 0.518 nan 8.230 nan 0.000 0.410 797 P HA 0.168 nan 4.420 nan 0.000 0.277 797 P C -0.632 176.880 177.300 0.353 0.000 1.276 797 P CA -0.339 62.842 63.100 0.136 0.000 0.788 797 P CB 0.548 32.244 31.700 -0.007 0.000 1.114 798 A N 0.366 123.335 122.820 0.249 0.000 2.466 798 A HA 0.131 4.452 4.320 0.001 0.000 0.238 798 A C 0.303 178.086 177.584 0.331 0.000 1.074 798 A CA 0.232 52.423 52.037 0.258 0.000 0.774 798 A CB -0.797 18.257 19.000 0.091 0.000 1.015 798 A HN 0.730 nan 8.150 nan 0.000 0.498 799 Y N -0.551 119.786 120.300 0.062 0.000 2.481 799 Y HA 0.333 4.884 4.550 0.001 0.000 0.247 799 Y C 1.242 177.049 175.900 -0.156 0.000 1.151 799 Y CA 0.586 58.648 58.100 -0.064 0.000 1.238 799 Y CB -0.169 37.993 38.460 -0.497 0.000 1.179 799 Y HN 0.622 nan 8.280 nan 0.000 0.524 800 T N -2.010 112.184 114.554 -0.600 0.000 3.073 800 T HA 0.316 4.667 4.350 0.001 0.000 0.264 800 T C 0.042 174.565 174.700 -0.295 0.000 0.893 800 T CA -0.179 61.611 62.100 -0.516 0.000 0.863 800 T CB -0.620 67.785 68.868 -0.771 0.000 1.247 800 T HN 0.116 nan 8.240 nan 0.000 0.546 801 L N 4.086 125.169 121.223 -0.235 0.000 2.367 801 L HA 0.473 4.814 4.340 0.001 0.000 0.275 801 L C 0.975 177.782 176.870 -0.106 0.000 1.129 801 L CA -0.673 54.075 54.840 -0.154 0.000 0.839 801 L CB 0.974 42.958 42.059 -0.125 0.000 1.133 801 L HN 0.409 nan 8.230 nan 0.000 0.453 802 S N 1.698 117.339 115.700 -0.098 0.000 2.573 802 S HA -0.031 4.439 4.470 0.001 0.000 0.277 802 S C 0.710 175.268 174.600 -0.069 0.000 1.346 802 S CA -0.399 57.755 58.200 -0.076 0.000 1.034 802 S CB 1.347 64.505 63.200 -0.071 0.000 0.879 802 S HN 0.694 nan 8.310 nan 0.000 0.528 803 Q N 1.156 120.922 119.800 -0.055 0.000 2.079 803 Q HA -0.145 4.196 4.340 0.001 0.000 0.200 803 Q C 2.079 178.043 176.000 -0.059 0.000 0.974 803 Q CA 2.309 58.081 55.803 -0.051 0.000 0.840 803 Q CB -0.459 28.255 28.738 -0.040 0.000 0.898 803 Q HN 0.977 nan 8.270 nan 0.000 0.430 804 E N -0.330 119.835 120.200 -0.058 0.000 2.070 804 E HA -0.218 4.133 4.350 0.001 0.000 0.197 804 E C 1.891 178.445 176.600 -0.077 0.000 1.004 804 E CA 1.500 57.864 56.400 -0.059 0.000 0.805 804 E CB -0.325 29.343 29.700 -0.053 0.000 0.744 804 E HN 0.503 nan 8.360 nan 0.000 0.451 805 I N 0.576 121.094 120.570 -0.087 0.000 2.439 805 I HA -0.226 3.945 4.170 0.001 0.000 0.251 805 I C 2.299 178.327 176.117 -0.149 0.000 1.139 805 I CA 1.211 62.443 61.300 -0.113 0.000 1.438 805 I CB -0.258 37.678 38.000 -0.107 0.000 1.085 805 I HN 0.349 nan 8.210 nan 0.000 0.427 806 Q N 0.070 119.794 119.800 -0.126 0.000 2.119 806 Q HA -0.214 4.127 4.340 0.001 0.000 0.201 806 Q C 1.583 177.502 176.000 -0.134 0.000 0.972 806 Q CA 1.343 57.063 55.803 -0.138 0.000 0.847 806 Q CB -0.004 28.681 28.738 -0.089 0.000 0.903 806 Q HN 0.422 nan 8.270 nan 0.000 0.433 807 D N -0.063 120.277 120.400 -0.100 0.000 2.218 807 D HA -0.102 4.539 4.640 0.001 0.000 0.204 807 D C 1.810 178.054 176.300 -0.093 0.000 0.976 807 D CA 0.649 54.601 54.000 -0.080 0.000 0.853 807 D CB 0.120 40.885 40.800 -0.058 0.000 0.939 807 D HN 0.041 nan 8.370 nan 0.000 0.481 808 V N 0.686 120.526 119.914 -0.123 0.000 2.453 808 V HA -0.194 3.927 4.120 0.001 0.000 0.247 808 V C 2.388 178.372 176.094 -0.185 0.000 1.048 808 V CA 1.171 63.393 62.300 -0.129 0.000 1.049 808 V CB -0.276 31.465 31.823 -0.137 0.000 0.672 808 V HN 0.218 nan 8.190 nan 0.000 0.457 809 M N -0.838 118.574 119.600 -0.313 0.000 2.156 809 M HA -0.101 4.380 4.480 0.001 0.000 0.264 809 M C 2.388 178.573 176.300 -0.192 0.000 1.067 809 M CA 1.582 56.565 55.300 -0.529 0.000 1.131 809 M CB -0.492 31.554 32.600 -0.924 0.000 1.368 809 M HN 0.180 nan 8.290 nan 0.000 0.416 810 R N 0.171 120.603 120.500 -0.114 0.000 2.117 810 R HA -0.187 4.154 4.340 0.001 0.000 0.243 810 R C 2.180 178.484 176.300 0.007 0.000 1.143 810 R CA 1.287 57.370 56.100 -0.028 0.000 0.968 810 R CB -0.383 29.898 30.300 -0.031 0.000 0.863 810 R HN 0.350 nan 8.270 nan 0.000 0.444 811 Q N 0.486 120.284 119.800 -0.004 0.000 2.083 811 Q HA -0.072 4.269 4.340 0.001 0.000 0.198 811 Q C 2.055 178.092 176.000 0.061 0.000 0.969 811 Q CA 1.353 57.172 55.803 0.026 0.000 0.838 811 Q CB -0.034 28.711 28.738 0.011 0.000 0.900 811 Q HN 0.359 nan 8.270 nan 0.000 0.436 812 Q N -0.439 119.409 119.800 0.081 0.000 2.061 812 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 812 Q C 2.082 178.192 176.000 0.183 0.000 0.984 812 Q CA 1.694 57.594 55.803 0.162 0.000 0.846 812 Q CB -0.223 28.687 28.738 0.288 0.000 0.902 812 Q HN 0.227 nan 8.270 nan 0.000 0.421 813 V N 1.196 121.238 119.914 0.213 0.000 2.287 813 V HA -0.339 3.782 4.120 0.001 0.000 0.248 813 V C 2.404 178.512 176.094 0.022 0.000 1.053 813 V CA 2.343 64.729 62.300 0.144 0.000 1.027 813 V CB -0.722 31.187 31.823 0.143 0.000 0.646 813 V HN 0.449 nan 8.190 nan 0.000 0.447 814 Q N 0.037 119.839 119.800 0.002 0.000 2.050 814 Q HA -0.282 4.059 4.340 0.001 0.000 0.202 814 Q C 2.298 178.285 176.000 -0.022 0.000 0.980 814 Q CA 2.050 57.802 55.803 -0.085 0.000 0.840 814 Q CB -0.123 28.615 28.738 -0.001 0.000 0.898 814 Q HN 0.568 nan 8.270 nan 0.000 0.424 815 K N 0.047 120.502 120.400 0.091 0.000 2.103 815 K HA -0.141 4.179 4.320 0.001 0.000 0.207 815 K C 2.031 178.694 176.600 0.104 0.000 1.048 815 K CA 1.481 57.849 56.287 0.135 0.000 0.930 815 K CB -0.078 32.481 32.500 0.098 0.000 0.716 815 K HN 0.235 nan 8.250 nan 0.000 0.444 816 L N -0.261 121.003 121.223 0.068 0.000 2.072 816 L HA -0.111 4.230 4.340 0.001 0.000 0.205 816 L C 2.431 179.318 176.870 0.027 0.000 1.079 816 L CA 0.977 55.856 54.840 0.065 0.000 0.752 816 L CB -0.474 41.636 42.059 0.086 0.000 0.906 816 L HN 0.200 nan 8.230 nan 0.000 0.436 817 A N 0.223 123.002 122.820 -0.068 0.000 1.892 817 A HA -0.258 4.063 4.320 0.001 0.000 0.218 817 A C 2.015 179.532 177.584 -0.113 0.000 1.188 817 A CA 1.978 53.915 52.037 -0.167 0.000 0.631 817 A CB -0.881 17.882 19.000 -0.395 0.000 0.822 817 A HN 0.312 nan 8.150 nan 0.000 0.447 818 F N -0.436 119.533 119.950 0.032 0.000 2.128 818 F HA -0.023 4.505 4.527 0.001 0.000 0.295 818 F C 2.363 178.172 175.800 0.016 0.000 1.100 818 F CA 1.453 59.466 58.000 0.022 0.000 1.260 818 F CB -0.855 38.155 39.000 0.016 0.000 1.009 818 F HN 0.314 nan 8.300 nan 0.000 0.476 819 E N 0.915 121.232 120.200 0.194 0.000 2.077 819 E HA -0.166 4.185 4.350 0.001 0.000 0.193 819 E C 1.887 178.534 176.600 0.080 0.000 0.989 819 E CA 1.402 57.866 56.400 0.106 0.000 0.800 819 E CB -0.542 29.197 29.700 0.064 0.000 0.746 819 E HN 0.427 nan 8.360 nan 0.000 0.452 820 L N -0.224 121.046 121.223 0.079 0.000 2.552 820 L HA 0.036 4.376 4.340 0.001 0.000 0.227 820 L C 0.507 177.413 176.870 0.060 0.000 1.146 820 L CA 0.171 55.050 54.840 0.065 0.000 0.858 820 L CB -0.086 42.016 42.059 0.071 0.000 0.969 820 L HN 0.122 nan 8.230 nan 0.000 0.451 821 Q N -0.920 118.927 119.800 0.078 0.000 2.503 821 Q HA -0.142 4.199 4.340 0.001 0.000 0.267 821 Q C -0.284 175.748 176.000 0.054 0.000 1.030 821 Q CA 0.404 56.253 55.803 0.076 0.000 1.041 821 Q CB -2.336 26.436 28.738 0.057 0.000 1.406 821 Q HN 0.202 nan 8.270 nan 0.000 0.524 822 V N 1.659 121.594 119.914 0.037 0.000 2.694 822 V HA 0.033 4.153 4.120 0.001 0.000 0.306 822 V C 0.957 177.064 176.094 0.023 0.000 1.054 822 V CA 0.802 63.112 62.300 0.017 0.000 1.161 822 V CB 0.652 32.468 31.823 -0.013 0.000 0.916 822 V HN 0.144 nan 8.190 nan 0.000 0.490 823 R N 4.052 124.567 120.500 0.024 0.000 2.680 823 R HA 0.575 4.916 4.340 0.001 0.000 0.278 823 R C 0.281 176.596 176.300 0.025 0.000 1.582 823 R CA 0.377 56.492 56.100 0.025 0.000 1.177 823 R CB 1.210 31.526 30.300 0.026 0.000 1.232 823 R HN 1.082 nan 8.270 nan 0.000 0.528 824 G N 1.506 110.327 108.800 0.036 0.000 2.395 824 G HA2 -0.165 3.795 3.960 0.001 0.000 0.201 824 G HA3 -0.165 3.795 3.960 0.001 0.000 0.201 824 G C -1.038 173.909 174.900 0.078 0.000 1.206 824 G CA -0.948 44.192 45.100 0.066 0.000 1.210 824 G HN 0.295 nan 8.290 nan 0.000 0.557 825 L N 1.679 122.982 121.223 0.133 0.000 2.436 825 L HA 0.753 5.094 4.340 0.001 0.000 0.265 825 L C 0.919 177.833 176.870 0.073 0.000 1.168 825 L CA -0.062 54.843 54.840 0.109 0.000 0.815 825 L CB 1.151 43.295 42.059 0.143 0.000 1.109 825 L HN 0.910 nan 8.230 nan 0.000 0.462 826 M N 2.152 121.777 119.600 0.041 0.000 2.578 826 M HA 0.446 4.927 4.480 0.001 0.000 0.276 826 M C -1.820 174.487 176.300 0.012 0.000 1.245 826 M CA -0.743 54.568 55.300 0.018 0.000 0.871 826 M CB 2.373 34.970 32.600 -0.005 0.000 1.722 826 M HN 0.504 nan 8.290 nan 0.000 0.473 827 N N 1.971 120.667 118.700 -0.008 0.000 2.352 827 N HA 0.593 5.334 4.740 0.001 0.000 0.291 827 N C -2.233 173.242 175.510 -0.058 0.000 1.040 827 N CA -0.281 52.764 53.050 -0.008 0.000 0.864 827 N CB 2.582 41.072 38.487 0.006 0.000 1.440 827 N HN 0.661 nan 8.380 nan 0.000 0.483 828 V N 2.661 122.546 119.914 -0.048 0.000 2.513 828 V HA 0.419 4.540 4.120 0.001 0.000 0.299 828 V C -0.222 175.750 176.094 -0.203 0.000 1.035 828 V CA -0.684 61.515 62.300 -0.169 0.000 0.889 828 V CB 1.636 33.363 31.823 -0.161 0.000 0.988 828 V HN 0.634 nan 8.190 nan 0.000 0.440 829 Q N 3.013 122.591 119.800 -0.371 0.000 2.331 829 Q HA 0.711 5.051 4.340 0.001 0.000 0.267 829 Q C -1.658 174.085 176.000 -0.429 0.000 1.006 829 Q CA -0.224 55.419 55.803 -0.268 0.000 0.818 829 Q CB 2.362 31.006 28.738 -0.157 0.000 1.276 829 Q HN 0.680 nan 8.270 nan 0.000 0.450 830 F N 0.367 120.301 119.950 -0.027 0.000 2.620 830 F HA 0.830 5.357 4.527 0.001 0.000 0.320 830 F C -0.306 175.468 175.800 -0.044 0.000 1.069 830 F CA -1.093 56.905 58.000 -0.004 0.000 0.953 830 F CB 1.811 40.810 39.000 -0.002 0.000 1.322 830 F HN 0.479 nan 8.300 nan 0.000 0.479 831 A N 0.990 123.953 122.820 0.239 0.000 2.374 831 A HA 0.780 5.101 4.320 0.001 0.000 0.305 831 A C -1.731 175.939 177.584 0.143 0.000 1.053 831 A CA -0.696 51.390 52.037 0.082 0.000 0.726 831 A CB 1.255 20.227 19.000 -0.048 0.000 1.229 831 A HN 0.507 nan 8.150 nan 0.000 0.431 832 V N 2.764 122.703 119.914 0.043 0.000 2.347 832 V HA 0.507 4.628 4.120 0.001 0.000 0.280 832 V C 0.074 176.165 176.094 -0.006 0.000 1.021 832 V CA -0.402 61.932 62.300 0.057 0.000 0.847 832 V CB 1.091 32.907 31.823 -0.012 0.000 0.990 832 V HN 0.824 nan 8.190 nan 0.000 0.444 833 K N 3.730 124.168 120.400 0.063 0.000 2.541 833 K HA 0.409 4.730 4.320 0.001 0.000 0.250 833 K C 0.059 176.714 176.600 0.093 0.000 0.950 833 K CA -0.610 55.662 56.287 -0.026 0.000 0.805 833 K CB 1.022 33.369 32.500 -0.255 0.000 1.166 833 K HN 0.809 nan 8.250 nan 0.000 0.430 834 N N 3.381 122.094 118.700 0.022 0.000 2.740 834 N HA -0.276 4.465 4.740 0.001 0.000 0.248 834 N C -0.464 175.066 175.510 0.033 0.000 1.062 834 N CA 0.763 53.830 53.050 0.028 0.000 0.704 834 N CB -0.931 37.581 38.487 0.042 0.000 0.968 834 N HN 0.926 nan 8.380 nan 0.000 0.547 835 N N -0.740 117.969 118.700 0.015 0.000 2.776 835 N HA -0.200 4.541 4.740 0.001 0.000 0.250 835 N C -1.320 174.190 175.510 0.001 0.000 1.112 835 N CA 1.209 54.255 53.050 -0.007 0.000 0.733 835 N CB -0.392 38.081 38.487 -0.023 0.000 1.097 835 N HN 0.621 nan 8.380 nan 0.000 0.558 836 E N 0.222 120.461 120.200 0.065 0.000 2.224 836 E HA 0.354 4.704 4.350 0.001 0.000 0.265 836 E C -0.544 176.098 176.600 0.071 0.000 0.878 836 E CA -0.679 55.730 56.400 0.015 0.000 0.759 836 E CB 2.317 32.002 29.700 -0.026 0.000 1.164 836 E HN -0.000 nan 8.360 nan 0.000 0.414 837 V N 4.396 124.259 119.914 -0.086 0.000 2.488 837 V HA 0.148 4.269 4.120 0.001 0.000 0.277 837 V C -0.824 175.261 176.094 -0.016 0.000 1.046 837 V CA 0.063 62.367 62.300 0.006 0.000 0.986 837 V CB -0.211 31.561 31.823 -0.085 0.000 0.989 837 V HN 0.526 nan 8.190 nan 0.000 0.475 838 Y N 4.176 124.557 120.300 0.135 0.000 2.446 838 Y HA 0.557 5.107 4.550 0.001 0.000 0.345 838 Y C -0.238 175.778 175.900 0.193 0.000 0.984 838 Y CA -1.441 56.733 58.100 0.123 0.000 1.058 838 Y CB 1.458 39.943 38.460 0.041 0.000 1.220 838 Y HN 0.307 nan 8.280 nan 0.000 0.455 839 L N 3.943 125.316 121.223 0.251 0.000 2.265 839 L HA 0.361 4.702 4.340 0.001 0.000 0.288 839 L C 0.444 177.380 176.870 0.111 0.000 1.058 839 L CA 0.298 55.196 54.840 0.098 0.000 0.809 839 L CB 0.610 42.732 42.059 0.104 0.000 1.179 839 L HN 0.814 nan 8.230 nan 0.000 0.429 840 I N 2.267 122.842 120.570 0.007 0.000 2.685 840 I HA 0.058 4.229 4.170 0.001 0.000 0.251 840 I C 0.341 176.452 176.117 -0.009 0.000 1.102 840 I CA 0.309 61.617 61.300 0.013 0.000 1.442 840 I CB 0.495 38.465 38.000 -0.049 0.000 1.194 840 I HN 0.738 nan 8.210 nan 0.000 0.448 841 E N -1.026 119.068 120.200 -0.177 0.000 2.432 841 E HA 0.455 4.806 4.350 0.001 0.000 0.279 841 E C -1.571 174.686 176.600 -0.573 0.000 1.099 841 E CA -0.832 55.272 56.400 -0.492 0.000 0.859 841 E CB 1.923 31.391 29.700 -0.387 0.000 1.402 841 E HN -0.223 nan 8.360 nan 0.000 0.451 842 V N 1.739 121.146 119.914 -0.845 0.000 2.487 842 V HA 0.462 4.582 4.120 0.001 0.000 0.298 842 V C -1.039 174.837 176.094 -0.363 0.000 1.028 842 V CA -0.973 61.020 62.300 -0.511 0.000 0.860 842 V CB 1.734 33.311 31.823 -0.409 0.000 0.991 842 V HN 0.616 nan 8.190 nan 0.000 0.427 843 N N 6.207 124.786 118.700 -0.201 0.000 2.546 843 N HA 0.322 5.063 4.740 0.001 0.000 0.238 843 N C -2.400 173.070 175.510 -0.068 0.000 0.984 843 N CA -1.432 51.544 53.050 -0.123 0.000 0.935 843 N CB 2.134 40.590 38.487 -0.053 0.000 1.122 843 N HN 0.386 nan 8.380 nan 0.000 0.510 844 P HA -0.022 nan 4.420 nan 0.000 0.286 844 P C -0.330 176.985 177.300 0.025 0.000 1.577 844 P CA 0.488 63.573 63.100 -0.026 0.000 0.805 844 P CB -0.084 31.593 31.700 -0.037 0.000 1.706 845 R N -2.461 118.072 120.500 0.054 0.000 2.902 845 R HA 0.738 5.078 4.340 0.001 0.000 0.264 845 R C -1.069 175.320 176.300 0.148 0.000 1.059 845 R CA -1.187 54.989 56.100 0.127 0.000 0.935 845 R CB 0.076 30.456 30.300 0.134 0.000 1.325 845 R HN -0.181 nan 8.270 nan 0.000 0.438 846 A N 0.502 123.446 122.820 0.208 0.000 2.477 846 A HA 0.580 4.901 4.320 0.001 0.000 0.246 846 A C 0.021 177.710 177.584 0.176 0.000 1.078 846 A CA 0.329 52.422 52.037 0.094 0.000 0.770 846 A CB -0.003 18.914 19.000 -0.137 0.000 1.011 846 A HN 0.793 nan 8.150 nan 0.000 0.494 847 A N 1.856 124.693 122.820 0.027 0.000 2.313 847 A HA 0.634 4.955 4.320 0.001 0.000 0.323 847 A C 1.252 178.652 177.584 -0.306 0.000 1.133 847 A CA -0.270 51.771 52.037 0.006 0.000 0.847 847 A CB 0.559 19.584 19.000 0.041 0.000 1.308 847 A HN 1.062 nan 8.150 nan 0.000 0.475 848 R N -0.730 119.561 120.500 -0.349 0.000 2.241 848 R HA -0.108 4.232 4.340 0.001 0.000 0.224 848 R C 0.800 176.950 176.300 -0.251 0.000 1.101 848 R CA 2.077 57.911 56.100 -0.443 0.000 0.995 848 R CB -0.970 29.174 30.300 -0.261 0.000 0.870 848 R HN 0.635 nan 8.270 nan 0.000 0.463 849 T N -1.705 112.773 114.554 -0.127 0.000 3.088 849 T HA 0.130 4.481 4.350 0.001 0.000 0.259 849 T C 1.871 176.584 174.700 0.022 0.000 1.122 849 T CA 0.311 62.401 62.100 -0.017 0.000 1.095 849 T CB 0.128 69.030 68.868 0.057 0.000 0.930 849 T HN 0.019 nan 8.240 nan 0.000 0.508 850 V N 2.929 122.791 119.914 -0.087 0.000 2.287 850 V HA -0.111 4.010 4.120 0.001 0.000 0.248 850 V C -0.174 175.858 176.094 -0.102 0.000 1.053 850 V CA 1.906 64.157 62.300 -0.081 0.000 1.027 850 V CB -1.390 30.356 31.823 -0.127 0.000 0.646 850 V HN 0.399 nan 8.190 nan 0.000 0.447 851 P HA -0.169 nan 4.420 nan 0.000 0.217 851 P C 1.722 178.902 177.300 -0.200 0.000 1.150 851 P CA 1.429 64.237 63.100 -0.486 0.000 0.832 851 P CB -0.164 30.875 31.700 -1.102 0.000 0.787 852 F N 0.704 120.519 119.950 -0.225 0.000 2.102 852 F HA -0.168 4.360 4.527 0.001 0.000 0.298 852 F C 1.904 177.682 175.800 -0.037 0.000 1.105 852 F CA 1.409 59.339 58.000 -0.116 0.000 1.239 852 F CB -0.983 37.958 39.000 -0.100 0.000 0.991 852 F HN -0.321 nan 8.300 nan 0.000 0.474 853 V N -0.222 119.613 119.914 -0.132 0.000 2.427 853 V HA -0.262 3.859 4.120 0.001 0.000 0.248 853 V C 2.499 178.498 176.094 -0.158 0.000 1.051 853 V CA 1.999 64.177 62.300 -0.202 0.000 1.048 853 V CB -0.934 30.889 31.823 0.001 0.000 0.666 853 V HN 0.394 nan 8.190 nan 0.000 0.456 854 S N -0.442 115.213 115.700 -0.074 0.000 2.356 854 S HA -0.220 4.251 4.470 0.001 0.000 0.223 854 S C 2.059 176.654 174.600 -0.009 0.000 1.032 854 S CA 1.577 59.771 58.200 -0.011 0.000 1.005 854 S CB -0.266 62.989 63.200 0.091 0.000 0.867 854 S HN 0.442 nan 8.310 nan 0.000 0.449 855 K N 1.624 122.014 120.400 -0.017 0.000 2.097 855 K HA 0.136 4.457 4.320 0.001 0.000 0.206 855 K C 2.078 178.731 176.600 0.087 0.000 1.049 855 K CA 1.135 57.464 56.287 0.069 0.000 0.933 855 K CB -0.506 31.992 32.500 -0.003 0.000 0.717 855 K HN 0.317 nan 8.250 nan 0.000 0.442 856 A N -0.124 122.598 122.820 -0.162 0.000 1.929 856 A HA -0.117 4.204 4.320 0.001 0.000 0.216 856 A C 2.154 179.725 177.584 -0.022 0.000 1.176 856 A CA 2.025 53.999 52.037 -0.106 0.000 0.628 856 A CB -0.843 17.910 19.000 -0.411 0.000 0.816 856 A HN 0.461 nan 8.150 nan 0.000 0.444 857 T N -5.000 109.479 114.554 -0.125 0.000 3.057 857 T HA 0.388 4.738 4.350 0.001 0.000 0.254 857 T C 1.443 175.974 174.700 -0.282 0.000 1.094 857 T CA 1.185 63.187 62.100 -0.163 0.000 1.088 857 T CB 0.137 68.925 68.868 -0.133 0.000 0.934 857 T HN 1.695 nan 8.240 nan 0.000 0.497 858 G N 0.656 109.184 108.800 -0.453 0.000 2.159 858 G HA2 -0.206 3.755 3.960 0.001 0.000 0.256 858 G HA3 -0.206 3.755 3.960 0.001 0.000 0.256 858 G C -0.008 174.713 174.900 -0.299 0.000 0.977 858 G CA 0.010 44.616 45.100 -0.823 0.000 0.652 858 G HN 0.793 nan 8.290 nan 0.000 0.531 859 V N 1.906 121.727 119.914 -0.157 0.000 2.370 859 V HA 0.498 4.619 4.120 0.001 0.000 0.283 859 V C -1.730 174.369 176.094 0.008 0.000 1.023 859 V CA -1.584 60.679 62.300 -0.063 0.000 0.857 859 V CB 1.832 33.624 31.823 -0.051 0.000 0.985 859 V HN 0.154 nan 8.190 nan 0.000 0.443 860 P HA 0.245 nan 4.420 nan 0.000 0.238 860 P C 0.963 178.337 177.300 0.124 0.000 1.794 860 P CA -0.154 63.023 63.100 0.129 0.000 1.088 860 P CB 0.451 32.199 31.700 0.080 0.000 1.923 861 L N 1.631 122.918 121.223 0.107 0.000 2.043 861 L HA -0.260 4.081 4.340 0.001 0.000 0.212 861 L C 2.548 179.489 176.870 0.117 0.000 1.075 861 L CA 2.097 56.989 54.840 0.086 0.000 0.752 861 L CB -1.181 40.908 42.059 0.051 0.000 0.891 861 L HN 0.184 nan 8.230 nan 0.000 0.432 862 A N -0.241 122.660 122.820 0.135 0.000 1.972 862 A HA -0.215 4.106 4.320 0.001 0.000 0.219 862 A C 2.367 180.115 177.584 0.273 0.000 1.169 862 A CA 1.737 53.847 52.037 0.122 0.000 0.635 862 A CB -0.329 18.664 19.000 -0.012 0.000 0.810 862 A HN 0.351 nan 8.150 nan 0.000 0.446 863 K N -0.627 119.900 120.400 0.213 0.000 2.031 863 K HA -0.023 4.298 4.320 0.001 0.000 0.205 863 K C 1.920 178.581 176.600 0.101 0.000 1.049 863 K CA 1.304 57.661 56.287 0.116 0.000 0.939 863 K CB -0.297 32.201 32.500 -0.003 0.000 0.717 863 K HN 0.288 nan 8.250 nan 0.000 0.438 864 V N 1.382 121.352 119.914 0.094 0.000 2.295 864 V HA -0.256 3.865 4.120 0.001 0.000 0.246 864 V C 2.309 178.457 176.094 0.090 0.000 1.049 864 V CA 2.145 64.489 62.300 0.074 0.000 1.024 864 V CB -0.662 31.197 31.823 0.060 0.000 0.648 864 V HN 0.365 nan 8.190 nan 0.000 0.447 865 A N -0.236 122.666 122.820 0.136 0.000 1.969 865 A HA -0.004 4.317 4.320 0.001 0.000 0.218 865 A C 2.387 180.052 177.584 0.135 0.000 1.169 865 A CA 1.760 53.891 52.037 0.157 0.000 0.635 865 A CB -0.621 18.519 19.000 0.233 0.000 0.810 865 A HN 0.558 nan 8.150 nan 0.000 0.445 866 A N 0.176 123.095 122.820 0.166 0.000 1.902 866 A HA -0.152 4.168 4.320 0.001 0.000 0.217 866 A C 2.232 179.799 177.584 -0.027 0.000 1.181 866 A CA 1.468 53.516 52.037 0.018 0.000 0.623 866 A CB -0.417 18.627 19.000 0.074 0.000 0.818 866 A HN 0.559 nan 8.150 nan 0.000 0.443 867 R N -0.755 119.759 120.500 0.023 0.000 2.092 867 R HA -0.037 4.304 4.340 0.001 0.000 0.231 867 R C 1.951 178.263 176.300 0.019 0.000 1.119 867 R CA 1.268 57.382 56.100 0.023 0.000 0.970 867 R CB -0.512 29.816 30.300 0.048 0.000 0.864 867 R HN 0.371 nan 8.270 nan 0.000 0.440 868 V N 1.348 121.278 119.914 0.025 0.000 2.407 868 V HA -0.244 3.877 4.120 0.001 0.000 0.248 868 V C 2.303 178.399 176.094 0.004 0.000 1.055 868 V CA 1.697 64.012 62.300 0.025 0.000 1.049 868 V CB -0.347 31.497 31.823 0.035 0.000 0.662 868 V HN 0.329 nan 8.190 nan 0.000 0.455 869 M N -0.160 119.425 119.600 -0.025 0.000 2.159 869 M HA -0.121 4.360 4.480 0.001 0.000 0.263 869 M C 2.101 178.354 176.300 -0.078 0.000 1.063 869 M CA 2.009 57.272 55.300 -0.062 0.000 1.110 869 M CB -0.457 32.071 32.600 -0.120 0.000 1.374 869 M HN 0.385 nan 8.290 nan 0.000 0.411 870 A N -0.730 122.031 122.820 -0.099 0.000 2.238 870 A HA 0.364 4.685 4.320 0.001 0.000 0.208 870 A C 1.660 179.251 177.584 0.013 0.000 1.177 870 A CA 1.020 52.983 52.037 -0.123 0.000 0.804 870 A CB -0.420 18.392 19.000 -0.313 0.000 0.823 870 A HN 0.645 nan 8.150 nan 0.000 0.482 871 G N -1.084 107.731 108.800 0.026 0.000 2.480 871 G HA2 -0.164 3.797 3.960 0.001 0.000 0.193 871 G HA3 -0.164 3.797 3.960 0.001 0.000 0.193 871 G C 0.277 175.210 174.900 0.054 0.000 1.004 871 G CA 0.047 45.179 45.100 0.053 0.000 0.696 871 G HN 0.452 nan 8.290 nan 0.000 0.478 872 K N 2.440 122.875 120.400 0.059 0.000 2.316 872 K HA 0.534 4.854 4.320 0.001 0.000 0.289 872 K C 1.137 177.763 176.600 0.043 0.000 1.070 872 K CA 0.373 56.692 56.287 0.053 0.000 0.928 872 K CB 0.601 33.139 32.500 0.063 0.000 1.039 872 K HN 0.455 nan 8.250 nan 0.000 0.480 873 S N 3.291 119.015 115.700 0.041 0.000 2.596 873 S HA 0.066 4.537 4.470 0.001 0.000 0.260 873 S C 1.395 176.017 174.600 0.038 0.000 1.336 873 S CA -0.548 57.677 58.200 0.041 0.000 0.993 873 S CB 0.602 63.826 63.200 0.041 0.000 0.923 873 S HN 0.627 nan 8.310 nan 0.000 0.567 874 L N 1.310 122.556 121.223 0.039 0.000 2.046 874 L HA -0.049 4.292 4.340 0.001 0.000 0.208 874 L C 3.095 179.982 176.870 0.028 0.000 1.077 874 L CA 1.549 56.409 54.840 0.033 0.000 0.747 874 L CB -1.262 40.818 42.059 0.034 0.000 0.896 874 L HN 0.944 nan 8.230 nan 0.000 0.432 875 A N 0.381 123.219 122.820 0.031 0.000 1.859 875 A HA -0.296 4.025 4.320 0.001 0.000 0.218 875 A C 2.164 179.761 177.584 0.021 0.000 1.209 875 A CA 2.201 54.253 52.037 0.025 0.000 0.639 875 A CB -0.770 18.246 19.000 0.027 0.000 0.835 875 A HN 0.487 nan 8.150 nan 0.000 0.450 876 E N -0.505 119.709 120.200 0.023 0.000 2.114 876 E HA -0.286 4.065 4.350 0.001 0.000 0.199 876 E C 2.237 178.849 176.600 0.020 0.000 1.008 876 E CA 1.671 58.084 56.400 0.021 0.000 0.810 876 E CB -0.286 29.430 29.700 0.025 0.000 0.739 876 E HN 0.781 nan 8.360 nan 0.000 0.456 877 Q N -0.757 119.056 119.800 0.022 0.000 2.311 877 Q HA 0.009 4.350 4.340 0.001 0.000 0.203 877 Q C 1.090 177.098 176.000 0.013 0.000 0.954 877 Q CA 0.598 56.413 55.803 0.020 0.000 0.885 877 Q CB 0.423 29.175 28.738 0.024 0.000 0.963 877 Q HN 0.415 nan 8.270 nan 0.000 0.471 878 G N 0.786 109.594 108.800 0.013 0.000 2.212 878 G HA2 -0.207 3.754 3.960 0.001 0.000 0.255 878 G HA3 -0.207 3.754 3.960 0.001 0.000 0.255 878 G C -0.245 174.658 174.900 0.005 0.000 1.062 878 G CA -0.004 45.101 45.100 0.008 0.000 0.815 878 G HN 0.194 nan 8.290 nan 0.000 0.497 879 V N 1.182 121.101 119.914 0.009 0.000 2.320 879 V HA 0.580 4.700 4.120 0.001 0.000 0.268 879 V C 0.960 177.059 176.094 0.008 0.000 1.021 879 V CA 0.467 62.770 62.300 0.005 0.000 0.813 879 V CB 0.930 32.758 31.823 0.008 0.000 1.054 879 V HN 0.801 nan 8.190 nan 0.000 0.444 880 T N -0.993 113.564 114.554 0.004 0.000 2.986 880 T HA 0.315 4.665 4.350 0.001 0.000 0.264 880 T C 0.423 175.125 174.700 0.003 0.000 0.964 880 T CA -0.321 61.784 62.100 0.009 0.000 0.895 880 T CB 0.579 69.455 68.868 0.013 0.000 1.163 880 T HN 0.311 nan 8.240 nan 0.000 0.517 881 K N 2.234 122.630 120.400 -0.006 0.000 2.270 881 K HA 0.461 4.782 4.320 0.001 0.000 0.255 881 K C -0.542 176.045 176.600 -0.022 0.000 0.936 881 K CA -0.590 55.690 56.287 -0.012 0.000 0.809 881 K CB 2.429 34.920 32.500 -0.015 0.000 1.131 881 K HN 0.429 nan 8.250 nan 0.000 0.427 882 E N 2.129 122.316 120.200 -0.022 0.000 2.415 882 E HA 0.072 4.422 4.350 0.001 0.000 0.263 882 E C -0.757 175.815 176.600 -0.046 0.000 0.995 882 E CA -0.297 56.085 56.400 -0.030 0.000 0.915 882 E CB 0.659 30.344 29.700 -0.025 0.000 0.951 882 E HN 0.184 nan 8.360 nan 0.000 0.449 883 V N 6.421 126.299 119.914 -0.059 0.000 2.465 883 V HA 0.239 4.360 4.120 0.001 0.000 0.279 883 V C 0.218 176.250 176.094 -0.104 0.000 1.045 883 V CA -0.558 61.690 62.300 -0.086 0.000 0.938 883 V CB 1.208 32.969 31.823 -0.103 0.000 0.986 883 V HN 0.581 nan 8.190 nan 0.000 0.467 884 I N 6.316 126.812 120.570 -0.123 0.000 2.464 884 I HA 0.363 4.533 4.170 0.001 0.000 0.277 884 I C -2.243 173.739 176.117 -0.225 0.000 1.040 884 I CA -1.827 59.381 61.300 -0.153 0.000 1.153 884 I CB 1.418 39.345 38.000 -0.121 0.000 1.274 884 I HN 0.463 nan 8.210 nan 0.000 0.469 885 P HA 0.245 nan 4.420 nan 0.000 0.270 885 P C -2.054 174.928 177.300 -0.531 0.000 1.223 885 P CA -0.967 61.807 63.100 -0.542 0.000 0.785 885 P CB 0.089 31.257 31.700 -0.886 0.000 0.923 886 P HA -0.022 nan 4.420 nan 0.000 0.222 886 P C 0.086 177.228 177.300 -0.263 0.000 1.153 886 P CA 1.239 64.146 63.100 -0.322 0.000 0.798 886 P CB -0.197 31.405 31.700 -0.162 0.000 0.796 887 Y N -2.682 117.565 120.300 -0.088 0.000 2.596 887 Y HA 0.613 5.164 4.550 0.001 0.000 0.326 887 Y C 0.131 175.946 175.900 -0.141 0.000 1.167 887 Y CA -2.227 55.838 58.100 -0.059 0.000 1.246 887 Y CB -0.338 38.122 38.460 0.001 0.000 1.347 887 Y HN -0.290 nan 8.280 nan 0.000 0.515 888 Y N 0.118 120.593 120.300 0.292 0.000 2.352 888 Y HA 0.567 5.118 4.550 0.001 0.000 0.326 888 Y C -0.199 175.858 175.900 0.262 0.000 1.166 888 Y CA -0.267 57.974 58.100 0.235 0.000 1.182 888 Y CB 1.884 40.459 38.460 0.192 0.000 1.216 888 Y HN 0.642 nan 8.280 nan 0.000 0.474 889 S N 1.818 117.779 115.700 0.436 0.000 2.561 889 S HA 0.652 5.123 4.470 0.001 0.000 0.303 889 S C -1.301 173.567 174.600 0.447 0.000 1.110 889 S CA -0.738 57.669 58.200 0.345 0.000 1.034 889 S CB 1.531 64.834 63.200 0.172 0.000 1.010 889 S HN 0.326 nan 8.310 nan 0.000 0.482 890 V N 3.706 123.807 119.914 0.312 0.000 2.588 890 V HA 0.519 4.640 4.120 0.001 0.000 0.304 890 V C -0.211 175.924 176.094 0.069 0.000 1.042 890 V CA -0.779 61.634 62.300 0.188 0.000 0.877 890 V CB 1.974 33.768 31.823 -0.048 0.000 0.996 890 V HN 0.784 nan 8.190 nan 0.000 0.425 891 K N 3.618 123.925 120.400 -0.154 0.000 2.159 891 K HA 0.679 5.000 4.320 0.001 0.000 0.266 891 K C -1.007 175.430 176.600 -0.273 0.000 0.975 891 K CA -0.374 55.689 56.287 -0.373 0.000 0.865 891 K CB 1.988 33.944 32.500 -0.907 0.000 1.087 891 K HN 0.697 nan 8.250 nan 0.000 0.446 892 E N 2.551 122.603 120.200 -0.247 0.000 2.343 892 E HA 0.320 4.671 4.350 0.001 0.000 0.270 892 E C -1.435 175.062 176.600 -0.171 0.000 0.895 892 E CA -0.883 55.384 56.400 -0.221 0.000 0.767 892 E CB 1.832 31.353 29.700 -0.298 0.000 1.248 892 E HN 0.422 nan 8.360 nan 0.000 0.440 893 V N 0.914 120.751 119.914 -0.129 0.000 2.966 893 V HA 0.861 4.982 4.120 0.001 0.000 0.317 893 V C -0.229 175.815 176.094 -0.082 0.000 1.070 893 V CA -0.582 61.656 62.300 -0.103 0.000 1.008 893 V CB 1.505 33.276 31.823 -0.086 0.000 1.070 893 V HN 0.604 nan 8.190 nan 0.000 0.457 894 V N 1.373 121.241 119.914 -0.077 0.000 2.448 894 V HA 0.753 4.874 4.120 0.001 0.000 0.295 894 V C -0.535 175.505 176.094 -0.091 0.000 1.025 894 V CA -0.590 61.669 62.300 -0.070 0.000 0.859 894 V CB 0.872 32.659 31.823 -0.061 0.000 0.988 894 V HN 0.868 nan 8.190 nan 0.000 0.431 895 L N 5.853 127.012 121.223 -0.107 0.000 2.331 895 L HA 0.648 4.989 4.340 0.001 0.000 0.275 895 L C -1.609 175.119 176.870 -0.236 0.000 1.022 895 L CA -1.478 53.226 54.840 -0.227 0.000 0.812 895 L CB 2.400 44.231 42.059 -0.380 0.000 1.257 895 L HN 0.452 nan 8.230 nan 0.000 0.435 896 P HA 0.088 nan 4.420 nan 0.000 0.257 896 P C 1.133 178.265 177.300 -0.280 0.000 1.281 896 P CA 0.089 63.006 63.100 -0.305 0.000 0.826 896 P CB 0.079 31.602 31.700 -0.295 0.000 1.237 897 F N 2.357 122.308 119.950 0.002 0.000 2.225 897 F HA -0.209 4.319 4.527 0.002 0.000 0.302 897 F C 2.052 177.820 175.800 -0.054 0.000 1.068 897 F CA 1.325 59.352 58.000 0.045 0.000 1.327 897 F CB -1.652 37.427 39.000 0.132 0.000 1.043 897 F HN 0.145 nan 8.300 nan 0.000 0.506 898 N N 0.224 118.947 118.700 0.039 0.000 2.550 898 N HA -0.132 4.609 4.740 0.001 0.000 0.186 898 N C 1.148 176.551 175.510 -0.179 0.000 1.110 898 N CA 0.765 53.791 53.050 -0.039 0.000 0.912 898 N CB -0.209 38.261 38.487 -0.028 0.000 0.968 898 N HN 0.171 nan 8.380 nan 0.000 0.448 899 K N -0.004 120.146 120.400 -0.417 0.000 2.356 899 K HA 0.139 4.459 4.320 0.001 0.000 0.195 899 K C -0.364 175.832 176.600 -0.674 0.000 1.037 899 K CA 0.189 56.066 56.287 -0.684 0.000 1.014 899 K CB 0.099 31.881 32.500 -1.196 0.000 0.815 899 K HN 0.184 nan 8.250 nan 0.000 0.507 900 F N 1.088 121.005 119.950 -0.056 0.000 2.622 900 F HA 0.316 4.844 4.527 0.001 0.000 0.338 900 F C -1.835 173.992 175.800 0.046 0.000 1.334 900 F CA -2.917 55.078 58.000 -0.008 0.000 1.179 900 F CB 1.254 40.208 39.000 -0.077 0.000 1.471 900 F HN -0.168 nan 8.300 nan 0.000 0.576 901 P HA -0.133 nan 4.420 nan 0.000 0.216 901 P C 1.805 179.161 177.300 0.093 0.000 1.150 901 P CA 1.385 64.539 63.100 0.090 0.000 0.843 901 P CB 0.251 31.970 31.700 0.031 0.000 0.787 902 G N -0.759 108.112 108.800 0.118 0.000 2.882 902 G HA2 0.064 4.024 3.960 0.001 0.000 0.206 902 G HA3 0.064 4.024 3.960 0.001 0.000 0.206 902 G C 0.290 175.252 174.900 0.102 0.000 1.155 902 G CA 0.035 45.188 45.100 0.089 0.000 0.800 902 G HN 0.199 nan 8.290 nan 0.000 0.524 903 V N 0.444 120.446 119.914 0.147 0.000 2.532 903 V HA 0.240 4.361 4.120 0.001 0.000 0.295 903 V C -0.539 175.580 176.094 0.042 0.000 1.041 903 V CA -1.116 61.281 62.300 0.163 0.000 0.926 903 V CB 1.999 34.033 31.823 0.352 0.000 0.992 903 V HN 0.123 nan 8.190 nan 0.000 0.457 904 D N 5.966 126.358 120.400 -0.013 0.000 2.325 904 D HA 0.236 4.877 4.640 0.001 0.000 0.251 904 D C -2.058 174.037 176.300 -0.342 0.000 1.196 904 D CA -1.997 51.926 54.000 -0.128 0.000 0.866 904 D CB 1.720 42.474 40.800 -0.077 0.000 1.101 904 D HN 0.247 nan 8.370 nan 0.000 0.476 905 P HA 0.103 nan 4.420 nan 0.000 0.226 905 P C -0.293 176.521 177.300 -0.810 0.000 1.758 905 P CA -0.544 61.768 63.100 -1.312 0.000 0.896 905 P CB -0.149 31.133 31.700 -0.697 0.000 1.784 906 L N 0.515 121.454 121.223 -0.473 0.000 2.375 906 L HA 0.313 4.654 4.340 0.001 0.000 0.271 906 L C 0.119 177.023 176.870 0.057 0.000 1.107 906 L CA -0.801 53.965 54.840 -0.124 0.000 0.806 906 L CB 0.242 42.262 42.059 -0.065 0.000 1.146 906 L HN -0.000 nan 8.230 nan 0.000 0.447 907 L N 2.439 123.741 121.223 0.133 0.000 2.416 907 L HA 0.810 5.151 4.340 0.001 0.000 0.262 907 L C 0.540 177.490 176.870 0.133 0.000 1.093 907 L CA -0.237 54.719 54.840 0.193 0.000 0.801 907 L CB 1.494 43.658 42.059 0.175 0.000 1.191 907 L HN 0.779 nan 8.230 nan 0.000 0.459 908 G N -0.164 108.715 108.800 0.132 0.000 2.490 908 G HA2 0.282 4.243 3.960 0.001 0.000 0.308 908 G HA3 0.282 4.243 3.960 0.001 0.000 0.308 908 G C -2.694 172.274 174.900 0.113 0.000 1.286 908 G CA -0.296 44.858 45.100 0.091 0.000 0.825 908 G HN 0.310 nan 8.290 nan 0.000 0.479 909 P HA 0.045 nan 4.420 nan 0.000 0.226 909 P C 0.351 177.758 177.300 0.180 0.000 1.153 909 P CA 0.967 64.143 63.100 0.126 0.000 0.777 909 P CB 0.337 32.067 31.700 0.049 0.000 0.794 910 E N -0.108 120.120 120.200 0.047 0.000 2.156 910 E HA 0.317 4.668 4.350 0.001 0.000 0.279 910 E C -0.255 176.248 176.600 -0.161 0.000 0.965 910 E CA -0.858 55.497 56.400 -0.076 0.000 0.789 910 E CB 0.583 30.218 29.700 -0.109 0.000 1.098 910 E HN -0.130 nan 8.360 nan 0.000 0.397 911 M N 4.665 124.000 119.600 -0.442 0.000 2.219 911 M HA 0.165 4.646 4.480 0.001 0.000 0.353 911 M C 0.018 176.176 176.300 -0.236 0.000 1.304 911 M CA 0.460 55.514 55.300 -0.409 0.000 1.115 911 M CB 0.403 32.588 32.600 -0.693 0.000 1.664 911 M HN 0.620 nan 8.290 nan 0.000 0.459 912 R N 1.260 121.681 120.500 -0.132 0.000 2.544 912 R HA 0.160 4.501 4.340 0.001 0.000 0.303 912 R C 0.118 176.399 176.300 -0.032 0.000 0.939 912 R CA 0.100 56.146 56.100 -0.090 0.000 1.102 912 R CB 0.689 30.951 30.300 -0.062 0.000 1.440 912 R HN 0.823 nan 8.270 nan 0.000 0.532 913 S N -0.536 115.120 115.700 -0.074 0.000 2.585 913 S HA 0.057 4.528 4.470 0.001 0.000 0.273 913 S C 1.186 175.760 174.600 -0.043 0.000 1.339 913 S CA 0.196 58.349 58.200 -0.078 0.000 1.028 913 S CB 1.520 64.675 63.200 -0.075 0.000 0.906 913 S HN 0.278 nan 8.310 nan 0.000 0.528 914 T N -0.941 113.583 114.554 -0.050 0.000 2.990 914 T HA 0.506 4.857 4.350 0.001 0.000 0.249 914 T C 0.814 175.490 174.700 -0.041 0.000 1.039 914 T CA 0.247 62.327 62.100 -0.033 0.000 1.036 914 T CB -0.162 68.682 68.868 -0.040 0.000 0.994 914 T HN 1.094 nan 8.240 nan 0.000 0.489 915 G N 0.581 109.348 108.800 -0.056 0.000 2.749 915 G HA2 0.648 4.609 3.960 0.001 0.000 0.300 915 G HA3 0.648 4.609 3.960 0.001 0.000 0.300 915 G C -2.053 172.801 174.900 -0.077 0.000 1.352 915 G CA -0.899 44.166 45.100 -0.058 0.000 0.789 915 G HN 0.549 nan 8.290 nan 0.000 0.509 916 E N -2.181 117.970 120.200 -0.081 0.000 2.423 916 E HA 0.621 4.971 4.350 0.001 0.000 0.280 916 E C -1.223 175.323 176.600 -0.090 0.000 1.030 916 E CA -1.087 55.250 56.400 -0.105 0.000 0.812 916 E CB 2.146 31.760 29.700 -0.142 0.000 1.313 916 E HN 1.145 nan 8.360 nan 0.000 0.456 917 V N -1.565 118.286 119.914 -0.105 0.000 3.001 917 V HA 0.735 4.856 4.120 0.001 0.000 0.314 917 V C -0.665 175.386 176.094 -0.072 0.000 1.099 917 V CA -1.073 61.179 62.300 -0.081 0.000 0.989 917 V CB 1.882 33.653 31.823 -0.087 0.000 1.040 917 V HN 0.904 nan 8.190 nan 0.000 0.434 918 M N 2.547 122.138 119.600 -0.016 0.000 2.311 918 M HA 0.807 5.288 4.480 0.001 0.000 0.325 918 M C -0.179 176.121 176.300 0.001 0.000 1.061 918 M CA -0.272 55.065 55.300 0.062 0.000 0.957 918 M CB 1.646 34.344 32.600 0.162 0.000 1.646 918 M HN 1.158 nan 8.290 nan 0.000 0.434 919 G N 3.783 112.583 108.800 0.000 0.000 2.557 919 G HA2 0.618 4.579 3.960 0.001 0.000 0.310 919 G HA3 0.618 4.579 3.960 0.001 0.000 0.310 919 G C -1.633 173.264 174.900 -0.004 0.000 1.328 919 G CA -0.421 44.645 45.100 -0.057 0.000 0.945 919 G HN 0.587 nan 8.290 nan 0.000 0.494 920 V N 1.785 121.678 119.914 -0.036 0.000 2.409 920 V HA 0.892 5.012 4.120 0.001 0.000 0.291 920 V C 0.646 176.732 176.094 -0.013 0.000 1.020 920 V CA -0.155 62.126 62.300 -0.031 0.000 0.848 920 V CB 1.236 32.946 31.823 -0.188 0.000 0.990 920 V HN 1.014 nan 8.190 nan 0.000 0.430 921 G N 3.322 112.179 108.800 0.094 0.000 2.694 921 G HA2 0.530 4.491 3.960 0.001 0.000 0.290 921 G HA3 0.530 4.491 3.960 0.001 0.000 0.290 921 G C 0.022 175.045 174.900 0.205 0.000 1.386 921 G CA -0.782 44.377 45.100 0.097 0.000 0.872 921 G HN 0.548 nan 8.290 nan 0.000 0.475 922 R N -1.069 119.523 120.500 0.153 0.000 2.189 922 R HA 0.118 4.459 4.340 0.001 0.000 0.218 922 R C 0.875 177.340 176.300 0.275 0.000 1.074 922 R CA 1.454 57.665 56.100 0.184 0.000 0.991 922 R CB -0.072 30.297 30.300 0.114 0.000 0.883 922 R HN 0.616 nan 8.270 nan 0.000 0.457 923 T N -3.509 111.192 114.554 0.246 0.000 2.864 923 T HA 0.210 4.561 4.350 0.001 0.000 0.289 923 T C 0.324 174.999 174.700 -0.042 0.000 1.082 923 T CA -0.870 61.362 62.100 0.220 0.000 1.009 923 T CB 0.982 69.905 68.868 0.091 0.000 1.234 923 T HN -0.031 nan 8.240 nan 0.000 0.526 924 F N 1.548 121.116 119.950 -0.636 0.000 2.102 924 F HA 0.078 4.605 4.527 0.001 0.000 0.298 924 F C 2.551 178.191 175.800 -0.266 0.000 1.105 924 F CA 1.943 59.467 58.000 -0.793 0.000 1.239 924 F CB -0.882 37.621 39.000 -0.827 0.000 0.991 924 F HN 0.725 nan 8.300 nan 0.000 0.474 925 A N 0.093 122.805 122.820 -0.179 0.000 1.892 925 A HA -0.288 4.032 4.320 0.001 0.000 0.218 925 A C 2.296 179.785 177.584 -0.157 0.000 1.188 925 A CA 2.051 54.002 52.037 -0.142 0.000 0.631 925 A CB -1.193 17.802 19.000 -0.009 0.000 0.822 925 A HN 0.590 nan 8.150 nan 0.000 0.447 926 E N -0.449 119.690 120.200 -0.102 0.000 2.077 926 E HA -0.138 4.213 4.350 0.001 0.000 0.193 926 E C 2.271 178.805 176.600 -0.111 0.000 0.989 926 E CA 0.957 57.314 56.400 -0.072 0.000 0.800 926 E CB -0.235 29.456 29.700 -0.015 0.000 0.746 926 E HN 0.559 nan 8.360 nan 0.000 0.452 927 A N 0.754 123.487 122.820 -0.145 0.000 1.865 927 A HA -0.213 4.108 4.320 0.001 0.000 0.217 927 A C 2.006 179.439 177.584 -0.253 0.000 1.191 927 A CA 1.432 53.381 52.037 -0.147 0.000 0.623 927 A CB -0.997 17.962 19.000 -0.068 0.000 0.826 927 A HN 0.446 nan 8.150 nan 0.000 0.444 928 F N 0.749 120.354 119.950 -0.575 0.000 2.095 928 F HA -0.118 4.409 4.527 0.001 0.000 0.298 928 F C 2.618 178.233 175.800 -0.308 0.000 1.104 928 F CA 1.422 59.105 58.000 -0.529 0.000 1.232 928 F CB -0.359 38.176 39.000 -0.775 0.000 0.987 928 F HN 0.256 nan 8.300 nan 0.000 0.475 929 A N -0.239 122.521 122.820 -0.099 0.000 1.940 929 A HA -0.232 4.088 4.320 0.001 0.000 0.219 929 A C 2.208 179.674 177.584 -0.196 0.000 1.176 929 A CA 1.989 53.957 52.037 -0.115 0.000 0.631 929 A CB -0.658 18.291 19.000 -0.084 0.000 0.814 929 A HN 0.450 nan 8.150 nan 0.000 0.446 930 K N -0.551 119.733 120.400 -0.194 0.000 2.031 930 K HA 0.044 4.365 4.320 0.001 0.000 0.205 930 K C 2.356 178.825 176.600 -0.219 0.000 1.049 930 K CA 0.993 57.174 56.287 -0.178 0.000 0.939 930 K CB -0.299 32.122 32.500 -0.132 0.000 0.717 930 K HN 0.422 nan 8.250 nan 0.000 0.438 931 A N 1.260 123.898 122.820 -0.304 0.000 1.883 931 A HA -0.277 4.043 4.320 0.001 0.000 0.217 931 A C 2.128 179.479 177.584 -0.388 0.000 1.186 931 A CA 1.716 53.541 52.037 -0.353 0.000 0.624 931 A CB -0.643 18.080 19.000 -0.462 0.000 0.822 931 A HN 0.399 nan 8.150 nan 0.000 0.444 932 Q N -0.975 118.513 119.800 -0.520 0.000 2.124 932 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 932 Q C 1.971 177.836 176.000 -0.225 0.000 0.977 932 Q CA 1.765 57.328 55.803 -0.399 0.000 0.850 932 Q CB -0.207 28.293 28.738 -0.397 0.000 0.901 932 Q HN 0.572 nan 8.270 nan 0.000 0.429 933 L N -0.143 120.958 121.223 -0.204 0.000 2.072 933 L HA 0.102 4.443 4.340 0.001 0.000 0.205 933 L C 2.131 178.940 176.870 -0.102 0.000 1.079 933 L CA 2.200 56.951 54.840 -0.148 0.000 0.752 933 L CB -0.820 41.131 42.059 -0.180 0.000 0.906 933 L HN 0.228 nan 8.230 nan 0.000 0.436 934 G N -1.365 107.365 108.800 -0.117 0.000 2.471 934 G HA2 -0.252 3.709 3.960 0.001 0.000 0.219 934 G HA3 -0.252 3.709 3.960 0.001 0.000 0.219 934 G C 1.528 176.385 174.900 -0.071 0.000 1.125 934 G CA 0.821 45.873 45.100 -0.080 0.000 0.775 934 G HN 0.561 nan 8.290 nan 0.000 0.548 935 S N -0.219 115.422 115.700 -0.098 0.000 2.660 935 S HA 0.001 4.472 4.470 0.001 0.000 0.223 935 S C 1.117 175.695 174.600 -0.037 0.000 0.963 935 S CA 0.720 58.873 58.200 -0.079 0.000 0.932 935 S CB -0.690 62.445 63.200 -0.107 0.000 0.775 935 S HN 0.564 nan 8.310 nan 0.000 0.531 936 N N 0.501 119.187 118.700 -0.023 0.000 2.776 936 N HA -0.195 4.545 4.740 0.001 0.000 0.249 936 N C -0.357 175.178 175.510 0.041 0.000 1.111 936 N CA 0.586 53.644 53.050 0.013 0.000 0.711 936 N CB -1.586 36.910 38.487 0.015 0.000 1.065 936 N HN 0.587 nan 8.380 nan 0.000 0.556 937 S N -0.314 115.405 115.700 0.032 0.000 2.549 937 S HA 0.177 4.648 4.470 0.001 0.000 0.283 937 S C 1.558 176.215 174.600 0.095 0.000 1.320 937 S CA 0.613 58.876 58.200 0.104 0.000 1.058 937 S CB 1.052 64.264 63.200 0.021 0.000 0.882 937 S HN 0.301 nan 8.310 nan 0.000 0.498 938 T N 3.100 117.762 114.554 0.181 0.000 3.169 938 T HA 0.156 4.507 4.350 0.001 0.000 0.250 938 T C 0.637 175.414 174.700 0.129 0.000 1.111 938 T CA -0.364 61.826 62.100 0.150 0.000 1.010 938 T CB -0.423 68.549 68.868 0.174 0.000 0.984 938 T HN 0.580 nan 8.240 nan 0.000 0.537 939 M N 3.224 122.863 119.600 0.066 0.000 2.240 939 M HA 0.144 4.624 4.480 0.001 0.000 0.346 939 M C -0.171 176.116 176.300 -0.021 0.000 1.236 939 M CA -0.073 55.217 55.300 -0.017 0.000 0.986 939 M CB 0.051 32.474 32.600 -0.296 0.000 1.786 939 M HN 0.036 nan 8.290 nan 0.000 0.457 940 K N 4.646 125.049 120.400 0.006 0.000 2.238 940 K HA 0.356 4.676 4.320 0.001 0.000 0.239 940 K C -0.052 176.538 176.600 -0.017 0.000 0.987 940 K CA -0.812 55.414 56.287 -0.101 0.000 0.857 940 K CB 1.268 33.585 32.500 -0.304 0.000 1.154 940 K HN 0.594 nan 8.250 nan 0.000 0.439 941 K N 1.306 121.634 120.400 -0.120 0.000 2.417 941 K HA 0.026 4.347 4.320 0.001 0.000 0.196 941 K C 0.389 176.943 176.600 -0.076 0.000 1.023 941 K CA 0.357 56.669 56.287 0.041 0.000 1.122 941 K CB 0.107 32.644 32.500 0.062 0.000 0.850 941 K HN 0.658 nan 8.250 nan 0.000 0.521 942 H N -2.935 115.920 119.070 -0.358 0.000 2.918 942 H HA 0.527 5.083 4.556 0.001 0.000 0.303 942 H C 0.109 174.884 175.328 -0.922 0.000 1.380 942 H CA -0.311 55.201 56.048 -0.895 0.000 1.134 942 H CB 1.059 30.591 29.762 -0.383 0.000 1.842 942 H HN 0.072 nan 8.280 nan 0.000 0.533 943 G N 0.490 108.969 108.800 -0.535 0.000 2.337 943 G HA2 -0.051 3.909 3.960 0.001 0.000 0.197 943 G HA3 -0.051 3.909 3.960 0.001 0.000 0.197 943 G C -1.287 173.601 174.900 -0.019 0.000 1.238 943 G CA -0.408 44.622 45.100 -0.117 0.000 1.119 943 G HN 0.804 nan 8.290 nan 0.000 0.514 944 R N 0.215 120.869 120.500 0.257 0.000 2.460 944 R HA 0.724 5.064 4.340 0.001 0.000 0.303 944 R C 0.061 176.707 176.300 0.577 0.000 0.968 944 R CA 0.159 56.497 56.100 0.398 0.000 0.889 944 R CB 1.335 31.823 30.300 0.312 0.000 1.123 944 R HN 1.408 nan 8.270 nan 0.000 0.455 945 A N 4.157 127.268 122.820 0.485 0.000 2.350 945 A HA 0.519 4.839 4.320 0.001 0.000 0.324 945 A C -1.587 175.997 177.584 0.000 0.000 1.118 945 A CA -0.724 51.472 52.037 0.265 0.000 0.783 945 A CB 1.394 20.509 19.000 0.191 0.000 1.236 945 A HN 0.601 nan 8.150 nan 0.000 0.457 946 L N 2.395 123.429 121.223 -0.314 0.000 2.296 946 L HA 0.725 5.065 4.340 0.001 0.000 0.286 946 L C -1.526 175.154 176.870 -0.318 0.000 1.023 946 L CA -0.346 54.201 54.840 -0.489 0.000 0.812 946 L CB 1.138 42.590 42.059 -1.012 0.000 1.223 946 L HN 0.518 nan 8.230 nan 0.000 0.421 947 L N 4.451 125.554 121.223 -0.200 0.000 2.333 947 L HA 0.630 4.971 4.340 0.001 0.000 0.280 947 L C -0.084 176.719 176.870 -0.113 0.000 1.004 947 L CA 0.103 54.857 54.840 -0.144 0.000 0.820 947 L CB 1.713 43.724 42.059 -0.079 0.000 1.247 947 L HN 0.647 nan 8.230 nan 0.000 0.416 948 S N 2.213 117.850 115.700 -0.105 0.000 2.385 948 S HA 0.534 5.005 4.470 0.001 0.000 0.191 948 S C -0.789 173.784 174.600 -0.046 0.000 1.196 948 S CA -0.517 57.642 58.200 -0.069 0.000 1.178 948 S CB 0.516 63.661 63.200 -0.092 0.000 1.258 948 S HN 0.399 nan 8.310 nan 0.000 0.430 949 V N 2.673 122.575 119.914 -0.020 0.000 2.850 949 V HA 0.845 4.966 4.120 0.001 0.000 0.315 949 V C -0.069 176.034 176.094 0.015 0.000 1.064 949 V CA -1.313 60.987 62.300 0.000 0.000 0.979 949 V CB 1.388 33.218 31.823 0.012 0.000 1.039 949 V HN 0.753 nan 8.190 nan 0.000 0.452 950 R N 1.282 121.795 120.500 0.022 0.000 2.649 950 R HA 0.443 4.784 4.340 0.001 0.000 0.270 950 R C 0.985 177.306 176.300 0.034 0.000 1.105 950 R CA -0.342 55.773 56.100 0.025 0.000 1.193 950 R CB 0.218 30.533 30.300 0.025 0.000 1.120 950 R HN 0.706 nan 8.270 nan 0.000 0.561 951 E N 1.007 121.226 120.200 0.033 0.000 2.086 951 E HA -0.224 4.126 4.350 0.001 0.000 0.205 951 E C 1.976 178.601 176.600 0.043 0.000 1.027 951 E CA 2.388 58.809 56.400 0.037 0.000 0.830 951 E CB -0.570 29.149 29.700 0.032 0.000 0.751 951 E HN 0.908 nan 8.360 nan 0.000 0.456 952 G N 1.127 109.956 108.800 0.049 0.000 2.422 952 G HA2 -0.222 3.739 3.960 0.001 0.000 0.218 952 G HA3 -0.222 3.739 3.960 0.001 0.000 0.218 952 G C 0.975 175.908 174.900 0.054 0.000 1.146 952 G CA 0.842 45.974 45.100 0.052 0.000 0.769 952 G HN 0.176 nan 8.290 nan 0.000 0.547 953 D N -0.014 120.423 120.400 0.061 0.000 2.324 953 D HA 0.078 4.718 4.640 0.001 0.000 0.235 953 D C 1.877 178.219 176.300 0.070 0.000 1.095 953 D CA 0.300 54.345 54.000 0.075 0.000 0.871 953 D CB 0.311 41.160 40.800 0.081 0.000 0.906 953 D HN 0.210 nan 8.370 nan 0.000 0.522 954 K N 0.247 120.680 120.400 0.056 0.000 2.439 954 K HA -0.002 4.319 4.320 0.001 0.000 0.197 954 K C 1.766 178.398 176.600 0.053 0.000 1.041 954 K CA 0.456 56.773 56.287 0.051 0.000 0.970 954 K CB 0.346 32.872 32.500 0.043 0.000 0.773 954 K HN 0.125 nan 8.250 nan 0.000 0.479 955 E N -0.071 120.162 120.200 0.056 0.000 2.102 955 E HA -0.008 4.343 4.350 0.001 0.000 0.190 955 E C 1.391 178.037 176.600 0.077 0.000 0.971 955 E CA 0.458 56.890 56.400 0.052 0.000 0.821 955 E CB 0.321 30.041 29.700 0.034 0.000 0.777 955 E HN 0.163 nan 8.360 nan 0.000 0.460 956 R N 0.254 120.818 120.500 0.106 0.000 2.299 956 R HA 0.027 4.368 4.340 0.001 0.000 0.197 956 R C 2.206 178.681 176.300 0.291 0.000 0.971 956 R CA 0.052 56.269 56.100 0.194 0.000 1.030 956 R CB 0.078 30.487 30.300 0.180 0.000 0.932 956 R HN 0.046 nan 8.270 nan 0.000 0.477 957 V N 0.663 120.675 119.914 0.164 0.000 2.427 957 V HA -0.206 3.915 4.120 0.001 0.000 0.248 957 V C 2.049 178.184 176.094 0.069 0.000 1.051 957 V CA 1.559 63.917 62.300 0.096 0.000 1.048 957 V CB 0.010 31.867 31.823 0.057 0.000 0.666 957 V HN 0.095 nan 8.190 nan 0.000 0.456 958 V N 0.588 120.550 119.914 0.080 0.000 2.233 958 V HA -0.280 3.841 4.120 0.001 0.000 0.247 958 V C 2.461 178.602 176.094 0.078 0.000 1.050 958 V CA 2.634 64.972 62.300 0.063 0.000 1.010 958 V CB -0.876 30.981 31.823 0.057 0.000 0.637 958 V HN 0.718 nan 8.190 nan 0.000 0.444 959 D N -0.345 120.138 120.400 0.138 0.000 2.158 959 D HA -0.187 4.454 4.640 0.001 0.000 0.197 959 D C 1.922 178.294 176.300 0.121 0.000 0.995 959 D CA 1.373 55.482 54.000 0.182 0.000 0.846 959 D CB -0.165 40.809 40.800 0.289 0.000 0.941 959 D HN 0.310 nan 8.370 nan 0.000 0.456 960 L N 0.375 121.613 121.223 0.025 0.000 2.044 960 L HA 0.090 4.431 4.340 0.001 0.000 0.205 960 L C 2.279 179.058 176.870 -0.152 0.000 1.075 960 L CA 2.043 56.699 54.840 -0.306 0.000 0.747 960 L CB -1.118 40.647 42.059 -0.490 0.000 0.903 960 L HN 0.050 nan 8.230 nan 0.000 0.435 961 A N -0.274 122.509 122.820 -0.061 0.000 1.883 961 A HA -0.194 4.127 4.320 0.001 0.000 0.217 961 A C 2.473 180.056 177.584 -0.002 0.000 1.186 961 A CA 2.217 54.240 52.037 -0.024 0.000 0.624 961 A CB -1.340 17.662 19.000 0.003 0.000 0.822 961 A HN 0.590 nan 8.150 nan 0.000 0.444 962 A N -0.020 122.808 122.820 0.013 0.000 1.873 962 A HA -0.254 4.067 4.320 0.001 0.000 0.218 962 A C 2.100 179.698 177.584 0.023 0.000 1.193 962 A CA 2.120 54.174 52.037 0.028 0.000 0.629 962 A CB -0.618 18.407 19.000 0.042 0.000 0.826 962 A HN 0.581 nan 8.150 nan 0.000 0.447 963 K N -0.419 119.982 120.400 0.002 0.000 2.113 963 K HA -0.106 4.215 4.320 0.001 0.000 0.208 963 K C 1.849 178.439 176.600 -0.016 0.000 1.047 963 K CA 1.533 57.813 56.287 -0.011 0.000 0.928 963 K CB -0.445 32.030 32.500 -0.041 0.000 0.716 963 K HN 0.506 nan 8.250 nan 0.000 0.446 964 L N 0.681 121.878 121.223 -0.043 0.000 2.093 964 L HA -0.157 4.184 4.340 0.001 0.000 0.208 964 L C 2.307 179.268 176.870 0.152 0.000 1.085 964 L CA 0.858 55.691 54.840 -0.012 0.000 0.755 964 L CB -0.384 41.619 42.059 -0.093 0.000 0.904 964 L HN 0.161 nan 8.230 nan 0.000 0.435 965 L N -0.116 121.169 121.223 0.103 0.000 2.027 965 L HA -0.217 4.124 4.340 0.001 0.000 0.206 965 L C 2.685 179.614 176.870 0.099 0.000 1.074 965 L CA 1.295 56.202 54.840 0.112 0.000 0.745 965 L CB -0.478 41.627 42.059 0.076 0.000 0.898 965 L HN 0.215 nan 8.230 nan 0.000 0.433 966 K N -0.027 120.418 120.400 0.074 0.000 2.281 966 K HA -0.259 4.062 4.320 0.001 0.000 0.203 966 K C 2.022 178.668 176.600 0.076 0.000 1.046 966 K CA 1.345 57.669 56.287 0.062 0.000 0.938 966 K CB 0.138 32.666 32.500 0.047 0.000 0.737 966 K HN 0.153 nan 8.250 nan 0.000 0.458 967 Q N -0.761 119.110 119.800 0.118 0.000 2.424 967 Q HA 0.046 4.387 4.340 0.001 0.000 0.204 967 Q C 0.639 176.730 176.000 0.151 0.000 0.933 967 Q CA 1.027 56.923 55.803 0.155 0.000 0.929 967 Q CB 0.585 29.455 28.738 0.220 0.000 1.037 967 Q HN 0.459 nan 8.270 nan 0.000 0.511 968 G N -1.150 107.732 108.800 0.137 0.000 2.148 968 G HA2 -0.238 3.723 3.960 0.001 0.000 0.203 968 G HA3 -0.238 3.723 3.960 0.001 0.000 0.203 968 G C -0.192 174.714 174.900 0.010 0.000 0.993 968 G CA -0.109 45.020 45.100 0.049 0.000 0.661 968 G HN 0.229 nan 8.290 nan 0.000 0.518 969 F N 1.183 121.163 119.950 0.050 0.000 2.403 969 F HA 0.555 5.083 4.527 0.001 0.000 0.320 969 F C 1.121 176.963 175.800 0.070 0.000 1.176 969 F CA 0.089 58.131 58.000 0.070 0.000 1.206 969 F CB 0.663 39.703 39.000 0.066 0.000 1.235 969 F HN 0.050 nan 8.300 nan 0.000 0.565 970 E N 2.056 122.416 120.200 0.266 0.000 2.187 970 E HA 0.430 4.781 4.350 0.001 0.000 0.268 970 E C -1.164 175.572 176.600 0.226 0.000 0.896 970 E CA -0.626 55.886 56.400 0.187 0.000 0.766 970 E CB 2.033 31.805 29.700 0.121 0.000 1.142 970 E HN 0.362 nan 8.360 nan 0.000 0.408 971 L N 2.052 123.373 121.223 0.163 0.000 2.344 971 L HA 0.520 4.860 4.340 0.001 0.000 0.272 971 L C -0.386 176.559 176.870 0.126 0.000 1.035 971 L CA -0.719 54.205 54.840 0.140 0.000 0.807 971 L CB 1.047 43.160 42.059 0.090 0.000 1.237 971 L HN 0.438 nan 8.230 nan 0.000 0.442 972 D N 0.567 121.035 120.400 0.112 0.000 2.732 972 D HA 0.815 5.456 4.640 0.001 0.000 0.229 972 D C -1.068 175.240 176.300 0.014 0.000 1.152 972 D CA -0.119 53.942 54.000 0.102 0.000 0.854 972 D CB 2.403 43.336 40.800 0.223 0.000 1.590 972 D HN 0.711 nan 8.370 nan 0.000 0.468 973 A N 0.240 123.065 122.820 0.009 0.000 2.602 973 A HA 0.780 5.101 4.320 0.001 0.000 0.290 973 A C -0.319 177.260 177.584 -0.008 0.000 1.114 973 A CA -0.714 51.309 52.037 -0.022 0.000 0.683 973 A CB 1.094 20.083 19.000 -0.019 0.000 1.281 973 A HN 0.487 nan 8.150 nan 0.000 0.416 974 T N -2.247 112.302 114.554 -0.009 0.000 2.862 974 T HA 0.450 4.800 4.350 0.001 0.000 0.276 974 T C 1.153 175.884 174.700 0.052 0.000 0.974 974 T CA 0.729 62.843 62.100 0.024 0.000 0.966 974 T CB 0.401 69.283 68.868 0.022 0.000 1.072 974 T HN 0.879 nan 8.240 nan 0.000 0.538 975 H N 0.879 119.955 119.070 0.009 0.000 2.486 975 H HA -0.226 4.331 4.556 0.001 0.000 0.278 975 H C 2.426 177.764 175.328 0.016 0.000 1.080 975 H CA 2.880 58.939 56.048 0.019 0.000 1.188 975 H CB -1.022 28.758 29.762 0.030 0.000 1.512 975 H HN 0.815 nan 8.280 nan 0.000 0.686 976 G N -1.779 107.217 108.800 0.325 0.000 2.503 976 G HA2 -0.334 3.627 3.960 0.001 0.000 0.221 976 G HA3 -0.334 3.627 3.960 0.001 0.000 0.221 976 G C 1.691 176.640 174.900 0.080 0.000 1.131 976 G CA 1.583 46.813 45.100 0.217 0.000 0.756 976 G HN 0.553 nan 8.290 nan 0.000 0.572 977 T N 1.598 116.180 114.554 0.048 0.000 2.777 977 T HA 0.062 4.412 4.350 0.001 0.000 0.266 977 T C 2.826 177.523 174.700 -0.004 0.000 1.040 977 T CA 1.454 63.564 62.100 0.018 0.000 1.141 977 T CB -0.413 68.458 68.868 0.005 0.000 0.868 977 T HN 0.396 nan 8.240 nan 0.000 0.444 978 A N 1.634 124.436 122.820 -0.030 0.000 1.940 978 A HA -0.067 4.253 4.320 0.001 0.000 0.219 978 A C 2.261 179.803 177.584 -0.070 0.000 1.176 978 A CA 1.086 53.088 52.037 -0.059 0.000 0.631 978 A CB -0.715 18.224 19.000 -0.101 0.000 0.814 978 A HN 0.391 nan 8.150 nan 0.000 0.446 979 I N -0.103 120.417 120.570 -0.083 0.000 2.179 979 I HA -0.191 3.980 4.170 0.001 0.000 0.242 979 I C 2.509 178.619 176.117 -0.011 0.000 1.088 979 I CA 1.398 62.666 61.300 -0.053 0.000 1.357 979 I CB -1.229 36.768 38.000 -0.005 0.000 1.051 979 I HN 0.177 nan 8.210 nan 0.000 0.409 980 V N 0.877 120.795 119.914 0.006 0.000 2.358 980 V HA -0.229 3.892 4.120 0.001 0.000 0.246 980 V C 2.591 178.693 176.094 0.013 0.000 1.047 980 V CA 1.261 63.571 62.300 0.016 0.000 1.035 980 V CB -0.568 31.270 31.823 0.026 0.000 0.658 980 V HN 0.311 nan 8.190 nan 0.000 0.452 981 L N 0.586 121.813 121.223 0.007 0.000 2.046 981 L HA -0.111 4.230 4.340 0.001 0.000 0.208 981 L C 2.704 179.578 176.870 0.007 0.000 1.077 981 L CA 1.810 56.656 54.840 0.009 0.000 0.747 981 L CB -1.222 40.841 42.059 0.006 0.000 0.896 981 L HN 0.482 nan 8.230 nan 0.000 0.432 982 G N -0.353 108.444 108.800 -0.004 0.000 2.476 982 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 982 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 982 G C 1.390 176.292 174.900 0.003 0.000 1.164 982 G CA 0.732 45.829 45.100 -0.005 0.000 0.768 982 G HN 0.434 nan 8.290 nan 0.000 0.560 983 E N 0.454 120.657 120.200 0.006 0.000 2.204 983 E HA -0.030 4.320 4.350 0.001 0.000 0.195 983 E C 2.750 179.359 176.600 0.014 0.000 0.990 983 E CA 0.673 57.080 56.400 0.011 0.000 0.821 983 E CB -0.116 29.592 29.700 0.014 0.000 0.750 983 E HN 0.467 nan 8.360 nan 0.000 0.477 984 A N -0.023 122.806 122.820 0.016 0.000 2.123 984 A HA 0.213 4.533 4.320 0.001 0.000 0.214 984 A C 1.854 179.449 177.584 0.018 0.000 1.152 984 A CA 1.085 53.134 52.037 0.020 0.000 0.728 984 A CB 0.078 19.092 19.000 0.025 0.000 0.814 984 A HN 0.354 nan 8.150 nan 0.000 0.464 985 G N -1.460 107.349 108.800 0.015 0.000 2.192 985 G HA2 -0.153 3.808 3.960 0.001 0.000 0.193 985 G HA3 -0.153 3.808 3.960 0.001 0.000 0.193 985 G C 0.062 174.972 174.900 0.016 0.000 0.999 985 G CA -0.035 45.074 45.100 0.015 0.000 0.659 985 G HN 0.375 nan 8.290 nan 0.000 0.503 986 I N 1.798 122.378 120.570 0.017 0.000 2.352 986 I HA 0.272 4.442 4.170 0.001 0.000 0.290 986 I C 0.136 176.261 176.117 0.014 0.000 1.036 986 I CA -0.245 61.067 61.300 0.019 0.000 1.336 986 I CB 1.017 39.031 38.000 0.023 0.000 1.407 986 I HN 0.106 nan 8.210 nan 0.000 0.497 987 N N 8.204 126.913 118.700 0.016 0.000 2.707 987 N HA 0.326 5.067 4.740 0.001 0.000 0.235 987 N C -2.339 173.181 175.510 0.017 0.000 1.028 987 N CA -1.362 51.694 53.050 0.011 0.000 0.906 987 N CB 0.962 39.455 38.487 0.009 0.000 1.131 987 N HN 0.364 nan 8.380 nan 0.000 0.509 988 P HA 0.064 nan 4.420 nan 0.000 0.275 988 P C -0.475 176.840 177.300 0.025 0.000 1.270 988 P CA -0.332 62.783 63.100 0.026 0.000 0.791 988 P CB 0.910 32.620 31.700 0.016 0.000 1.089 989 R N 0.615 121.140 120.500 0.042 0.000 2.265 989 R HA 0.357 4.698 4.340 0.001 0.000 0.319 989 R C -0.531 175.793 176.300 0.039 0.000 1.006 989 R CA -0.821 55.304 56.100 0.042 0.000 0.880 989 R CB 0.148 30.484 30.300 0.060 0.000 1.077 989 R HN 0.287 nan 8.270 nan 0.000 0.454 990 L N 4.846 126.082 121.223 0.022 0.000 2.453 990 L HA 0.223 4.564 4.340 0.001 0.000 0.272 990 L C -0.793 176.102 176.870 0.043 0.000 1.182 990 L CA 0.494 55.345 54.840 0.018 0.000 0.858 990 L CB 1.429 43.486 42.059 -0.003 0.000 1.120 990 L HN 0.465 nan 8.230 nan 0.000 0.474 991 V N 6.041 125.984 119.914 0.049 0.000 2.709 991 V HA 0.444 4.565 4.120 0.001 0.000 0.308 991 V C -0.352 175.775 176.094 0.055 0.000 1.062 991 V CA -0.757 61.585 62.300 0.069 0.000 0.901 991 V CB 2.176 34.070 31.823 0.119 0.000 1.003 991 V HN 0.918 nan 8.190 nan 0.000 0.425 992 N N 4.416 123.152 118.700 0.060 0.000 2.472 992 N HA 0.338 5.079 4.740 0.001 0.000 0.277 992 N C -0.176 175.346 175.510 0.019 0.000 1.081 992 N CA -0.520 52.557 53.050 0.044 0.000 0.973 992 N CB 1.042 39.556 38.487 0.045 0.000 1.105 992 N HN 0.622 nan 8.380 nan 0.000 0.470 993 K N 0.675 121.024 120.400 -0.085 0.000 2.244 993 K HA 0.031 4.352 4.320 0.001 0.000 0.242 993 K C 0.982 177.443 176.600 -0.231 0.000 1.082 993 K CA -0.391 55.748 56.287 -0.246 0.000 0.841 993 K CB 0.387 32.564 32.500 -0.539 0.000 1.129 993 K HN 0.236 nan 8.250 nan 0.000 0.516 994 V N 0.800 120.507 119.914 -0.344 0.000 2.719 994 V HA -0.147 3.974 4.120 0.001 0.000 0.252 994 V C 1.687 177.778 176.094 -0.004 0.000 1.065 994 V CA 1.682 63.908 62.300 -0.122 0.000 1.086 994 V CB -0.962 30.748 31.823 -0.189 0.000 0.700 994 V HN 0.713 nan 8.190 nan 0.000 0.467 995 H N 0.019 119.126 119.070 0.063 0.000 2.551 995 H HA 0.109 4.665 4.556 0.001 0.000 0.266 995 H C 1.804 177.161 175.328 0.048 0.000 0.964 995 H CA 0.835 56.912 56.048 0.047 0.000 1.180 995 H CB -0.393 29.380 29.762 0.018 0.000 1.408 995 H HN 0.547 nan 8.280 nan 0.000 0.563 996 E N 0.427 120.620 120.200 -0.012 0.000 2.112 996 E HA 0.258 4.609 4.350 0.001 0.000 0.190 996 E C 1.125 177.758 176.600 0.054 0.000 0.979 996 E CA 0.651 57.094 56.400 0.072 0.000 0.814 996 E CB 0.271 30.006 29.700 0.058 0.000 0.762 996 E HN 0.530 nan 8.360 nan 0.000 0.460 997 G N 0.106 108.927 108.800 0.034 0.000 2.552 997 G HA2 0.417 4.378 3.960 0.001 0.000 0.137 997 G HA3 0.417 4.378 3.960 0.001 0.000 0.137 997 G C -1.394 173.454 174.900 -0.086 0.000 1.135 997 G CA -0.834 44.264 45.100 -0.003 0.000 1.047 997 G HN 0.021 nan 8.290 nan 0.000 0.501 998 R N 0.287 120.719 120.500 -0.112 0.000 2.736 998 R HA 0.483 4.823 4.340 0.001 0.000 0.250 998 R C -2.722 173.501 176.300 -0.128 0.000 1.098 998 R CA -0.828 55.140 56.100 -0.219 0.000 0.978 998 R CB 1.727 31.872 30.300 -0.259 0.000 1.263 998 R HN 0.614 nan 8.270 nan 0.000 0.460 999 P HA 0.192 nan 4.420 nan 0.000 0.274 999 P C -1.001 176.255 177.300 -0.072 0.000 1.231 999 P CA -0.227 62.768 63.100 -0.174 0.000 0.790 999 P CB 0.466 32.113 31.700 -0.088 0.000 0.951 1000 H N -0.857 118.205 119.070 -0.012 0.000 2.713 1000 H HA 0.340 4.897 4.556 0.001 0.000 0.340 1000 H C 1.274 176.611 175.328 0.015 0.000 1.271 1000 H CA -1.070 54.971 56.048 -0.010 0.000 1.306 1000 H CB 0.881 30.621 29.762 -0.036 0.000 1.839 1000 H HN 0.228 nan 8.280 nan 0.000 0.627 1001 I N -1.488 119.189 120.570 0.179 0.000 2.091 1001 I HA -0.366 3.805 4.170 0.001 0.000 0.240 1001 I C 2.514 178.682 176.117 0.085 0.000 1.046 1001 I CA 1.604 62.979 61.300 0.126 0.000 1.306 1001 I CB -0.793 37.210 38.000 0.005 0.000 1.018 1001 I HN 0.594 nan 8.210 nan 0.000 0.404 1002 Q N 0.790 120.509 119.800 -0.134 0.000 2.077 1002 Q HA -0.291 4.050 4.340 0.001 0.000 0.206 1002 Q C 2.053 178.052 176.000 -0.002 0.000 0.989 1002 Q CA 2.535 58.240 55.803 -0.163 0.000 0.853 1002 Q CB -0.399 28.049 28.738 -0.485 0.000 0.907 1002 Q HN 0.659 nan 8.270 nan 0.000 0.418 1003 D N -0.388 120.160 120.400 0.247 0.000 2.084 1003 D HA -0.139 4.501 4.640 0.001 0.000 0.194 1003 D C 2.060 178.373 176.300 0.021 0.000 0.990 1003 D CA 0.988 55.105 54.000 0.194 0.000 0.826 1003 D CB -0.016 40.918 40.800 0.223 0.000 0.971 1003 D HN 0.291 nan 8.370 nan 0.000 0.453 1004 R N 0.288 120.813 120.500 0.042 0.000 2.092 1004 R HA -0.033 4.307 4.340 0.001 0.000 0.231 1004 R C 2.592 178.779 176.300 -0.189 0.000 1.119 1004 R CA 0.565 56.597 56.100 -0.114 0.000 0.970 1004 R CB -0.315 29.903 30.300 -0.136 0.000 0.864 1004 R HN 0.272 nan 8.270 nan 0.000 0.440 1005 I N 1.392 121.975 120.570 0.023 0.000 2.202 1005 I HA -0.271 3.900 4.170 0.001 0.000 0.242 1005 I C 2.750 178.737 176.117 -0.216 0.000 1.091 1005 I CA 1.259 62.605 61.300 0.076 0.000 1.368 1005 I CB -0.286 37.795 38.000 0.135 0.000 1.058 1005 I HN 0.130 nan 8.210 nan 0.000 0.410 1006 K N 1.319 121.500 120.400 -0.365 0.000 2.152 1006 K HA -0.214 4.107 4.320 0.001 0.000 0.206 1006 K C 1.532 177.808 176.600 -0.541 0.000 1.048 1006 K CA 1.877 57.676 56.287 -0.814 0.000 0.933 1006 K CB -0.276 31.923 32.500 -0.502 0.000 0.721 1006 K HN 0.440 nan 8.250 nan 0.000 0.447 1007 N N -0.675 117.852 118.700 -0.287 0.000 2.494 1007 N HA -0.028 4.713 4.740 0.001 0.000 0.182 1007 N C 0.482 175.892 175.510 -0.168 0.000 1.076 1007 N CA 0.433 53.366 53.050 -0.195 0.000 0.908 1007 N CB 0.228 38.624 38.487 -0.151 0.000 0.967 1007 N HN 0.465 nan 8.380 nan 0.000 0.449 1008 G N 1.229 109.921 108.800 -0.179 0.000 2.132 1008 G HA2 -0.267 3.694 3.960 0.001 0.000 0.228 1008 G HA3 -0.267 3.694 3.960 0.001 0.000 0.228 1008 G C 0.529 175.362 174.900 -0.113 0.000 1.000 1008 G CA 0.240 45.286 45.100 -0.091 0.000 0.693 1008 G HN 0.339 nan 8.290 nan 0.000 0.515 1009 E N -1.105 118.936 120.200 -0.266 0.000 2.150 1009 E HA 0.074 4.425 4.350 0.001 0.000 0.193 1009 E C 0.569 176.957 176.600 -0.353 0.000 0.985 1009 E CA 0.935 57.089 56.400 -0.410 0.000 0.814 1009 E CB -0.010 29.223 29.700 -0.778 0.000 0.752 1009 E HN 0.676 nan 8.360 nan 0.000 0.466 1010 Y N -1.351 118.985 120.300 0.060 0.000 2.457 1010 Y HA 0.243 4.794 4.550 0.001 0.000 0.333 1010 Y C 1.370 177.358 175.900 0.146 0.000 1.119 1010 Y CA -0.352 57.813 58.100 0.108 0.000 1.143 1010 Y CB 1.648 40.160 38.460 0.087 0.000 1.230 1010 Y HN -0.135 nan 8.280 nan 0.000 0.469 1011 T N -2.539 112.262 114.554 0.411 0.000 2.985 1011 T HA 0.219 4.569 4.350 0.001 0.000 0.254 1011 T C -0.692 174.275 174.700 0.445 0.000 1.021 1011 T CA 0.111 62.423 62.100 0.353 0.000 0.957 1011 T CB -0.111 68.900 68.868 0.239 0.000 1.047 1011 T HN 0.463 nan 8.240 nan 0.000 0.511 1012 Y N 0.374 120.827 120.300 0.255 0.000 2.544 1012 Y HA 0.679 5.230 4.550 0.001 0.000 0.342 1012 Y C -2.234 173.692 175.900 0.044 0.000 1.062 1012 Y CA -2.710 55.467 58.100 0.129 0.000 1.023 1012 Y CB 1.610 40.032 38.460 -0.062 0.000 1.308 1012 Y HN 0.153 nan 8.280 nan 0.000 0.457 1013 I N 7.093 127.290 120.570 -0.622 0.000 2.512 1013 I HA 0.375 4.546 4.170 0.001 0.000 0.287 1013 I C -1.459 174.187 176.117 -0.786 0.000 1.069 1013 I CA -0.931 60.020 61.300 -0.582 0.000 1.056 1013 I CB 2.091 39.934 38.000 -0.262 0.000 1.229 1013 I HN 0.541 nan 8.210 nan 0.000 0.429 1014 I N 7.207 127.386 120.570 -0.652 0.000 2.382 1014 I HA 0.386 4.556 4.170 0.001 0.000 0.285 1014 I C -0.894 175.097 176.117 -0.212 0.000 1.007 1014 I CA 0.110 61.153 61.300 -0.428 0.000 1.142 1014 I CB 0.914 38.705 38.000 -0.348 0.000 1.289 1014 I HN 0.580 nan 8.210 nan 0.000 0.453 1015 N N 5.612 124.241 118.700 -0.118 0.000 2.540 1015 N HA 0.374 5.115 4.740 0.001 0.000 0.275 1015 N C -1.193 174.305 175.510 -0.020 0.000 1.053 1015 N CA -0.297 52.707 53.050 -0.076 0.000 0.876 1015 N CB 1.191 39.618 38.487 -0.100 0.000 1.284 1015 N HN 0.686 nan 8.380 nan 0.000 0.518 1016 T N 0.453 115.001 114.554 -0.010 0.000 2.859 1016 T HA 0.570 4.921 4.350 0.001 0.000 0.281 1016 T C 0.008 174.712 174.700 0.007 0.000 1.005 1016 T CA -0.295 61.816 62.100 0.018 0.000 1.025 1016 T CB 1.935 70.827 68.868 0.040 0.000 0.977 1016 T HN 0.231 nan 8.240 nan 0.000 0.458 1017 T N 1.345 115.905 114.554 0.010 0.000 2.888 1017 T HA 0.780 5.130 4.350 0.001 0.000 0.288 1017 T C -0.829 173.870 174.700 -0.002 0.000 1.063 1017 T CA -0.868 61.228 62.100 -0.007 0.000 1.010 1017 T CB 1.749 70.602 68.868 -0.024 0.000 1.214 1017 T HN 0.798 nan 8.240 nan 0.000 0.533 1018 S N -0.065 115.615 115.700 -0.034 0.000 2.616 1018 S HA 0.589 5.060 4.470 0.001 0.000 0.276 1018 S C -0.579 173.918 174.600 -0.171 0.000 1.159 1018 S CA 0.337 58.505 58.200 -0.053 0.000 1.000 1018 S CB 0.163 63.366 63.200 0.006 0.000 1.117 1018 S HN 1.572 nan 8.310 nan 0.000 0.464 1019 G N 4.354 112.940 108.800 -0.357 0.000 2.784 1019 G HA2 -0.057 3.904 3.960 0.001 0.000 0.686 1019 G HA3 -0.057 3.904 3.960 0.001 0.000 0.686 1019 G C 0.153 174.814 174.900 -0.399 0.000 1.156 1019 G CA -0.535 44.175 45.100 -0.649 0.000 0.757 1019 G HN 0.611 nan 8.290 nan 0.000 0.642 1020 R N 0.789 121.044 120.500 -0.409 0.000 2.133 1020 R HA -0.134 4.206 4.340 0.001 0.000 0.245 1020 R C 2.694 178.929 176.300 -0.107 0.000 1.137 1020 R CA 2.277 58.283 56.100 -0.157 0.000 0.947 1020 R CB -0.641 29.625 30.300 -0.057 0.000 0.865 1020 R HN 0.709 nan 8.270 nan 0.000 0.437 1021 R N -0.571 119.857 120.500 -0.119 0.000 2.090 1021 R HA 0.035 4.376 4.340 0.001 0.000 0.228 1021 R C 1.997 178.253 176.300 -0.074 0.000 1.110 1021 R CA 1.211 57.262 56.100 -0.082 0.000 0.973 1021 R CB -0.167 30.088 30.300 -0.074 0.000 0.869 1021 R HN 0.258 nan 8.270 nan 0.000 0.440 1022 A N 0.296 123.060 122.820 -0.094 0.000 2.067 1022 A HA -0.077 4.244 4.320 0.001 0.000 0.219 1022 A C 1.942 179.491 177.584 -0.058 0.000 1.158 1022 A CA 0.870 52.865 52.037 -0.070 0.000 0.661 1022 A CB -0.253 18.702 19.000 -0.076 0.000 0.801 1022 A HN 0.269 nan 8.150 nan 0.000 0.452 1023 I N -0.523 120.005 120.570 -0.070 0.000 2.277 1023 I HA -0.188 3.982 4.170 0.001 0.000 0.243 1023 I C 2.291 178.380 176.117 -0.047 0.000 1.094 1023 I CA 1.280 62.546 61.300 -0.057 0.000 1.393 1023 I CB -0.171 37.793 38.000 -0.059 0.000 1.078 1023 I HN 0.381 nan 8.210 nan 0.000 0.417 1024 E N 0.383 120.558 120.200 -0.041 0.000 2.268 1024 E HA -0.209 4.141 4.350 0.001 0.000 0.195 1024 E C 1.344 177.928 176.600 -0.026 0.000 0.995 1024 E CA 0.918 57.300 56.400 -0.031 0.000 0.836 1024 E CB -0.024 29.663 29.700 -0.023 0.000 0.763 1024 E HN 0.449 nan 8.360 nan 0.000 0.491 1025 D N 0.306 120.691 120.400 -0.025 0.000 2.103 1025 D HA -0.076 4.565 4.640 0.001 0.000 0.199 1025 D C 1.907 178.202 176.300 -0.007 0.000 0.978 1025 D CA 1.354 55.352 54.000 -0.003 0.000 0.829 1025 D CB -0.096 40.706 40.800 0.004 0.000 0.981 1025 D HN 0.088 nan 8.370 nan 0.000 0.464 1026 S N 0.121 115.804 115.700 -0.030 0.000 2.603 1026 S HA 0.003 4.474 4.470 0.001 0.000 0.220 1026 S C 1.673 176.225 174.600 -0.080 0.000 0.967 1026 S CA -0.179 57.989 58.200 -0.053 0.000 0.920 1026 S CB 0.064 63.231 63.200 -0.054 0.000 0.773 1026 S HN 0.193 nan 8.310 nan 0.000 0.529 1027 R N 1.595 122.052 120.500 -0.071 0.000 2.139 1027 R HA -0.089 4.251 4.340 0.001 0.000 0.243 1027 R C 2.064 178.299 176.300 -0.108 0.000 1.145 1027 R CA 1.621 57.667 56.100 -0.090 0.000 0.976 1027 R CB -0.604 29.656 30.300 -0.066 0.000 0.866 1027 R HN 0.400 nan 8.270 nan 0.000 0.449 1028 V N 0.517 120.375 119.914 -0.094 0.000 2.626 1028 V HA -0.123 3.998 4.120 0.001 0.000 0.252 1028 V C 1.848 177.867 176.094 -0.125 0.000 1.067 1028 V CA 1.469 63.709 62.300 -0.100 0.000 1.081 1028 V CB -0.189 31.578 31.823 -0.093 0.000 0.686 1028 V HN 0.313 nan 8.190 nan 0.000 0.468 1029 I N 0.217 120.699 120.570 -0.146 0.000 2.252 1029 I HA -0.117 4.054 4.170 0.001 0.000 0.245 1029 I C 2.782 178.746 176.117 -0.255 0.000 1.102 1029 I CA 1.707 62.905 61.300 -0.170 0.000 1.385 1029 I CB -0.556 37.341 38.000 -0.172 0.000 1.064 1029 I HN 0.191 nan 8.210 nan 0.000 0.414 1030 R N 0.364 120.676 120.500 -0.313 0.000 2.070 1030 R HA -0.096 4.244 4.340 0.001 0.000 0.233 1030 R C 2.497 178.536 176.300 -0.436 0.000 1.137 1030 R CA 1.413 57.203 56.100 -0.515 0.000 0.945 1030 R CB -0.347 29.719 30.300 -0.390 0.000 0.845 1030 R HN 0.316 nan 8.270 nan 0.000 0.430 1031 R N 0.250 120.600 120.500 -0.249 0.000 2.091 1031 R HA -0.093 4.248 4.340 0.001 0.000 0.238 1031 R C 2.424 178.647 176.300 -0.128 0.000 1.136 1031 R CA 1.882 57.882 56.100 -0.166 0.000 0.959 1031 R CB -0.289 29.948 30.300 -0.105 0.000 0.856 1031 R HN 0.264 nan 8.270 nan 0.000 0.437 1032 S N 1.205 116.856 115.700 -0.081 0.000 2.368 1032 S HA -0.057 4.414 4.470 0.001 0.000 0.224 1032 S C 2.275 176.942 174.600 0.112 0.000 1.029 1032 S CA 0.864 59.108 58.200 0.072 0.000 0.988 1032 S CB -0.263 63.035 63.200 0.164 0.000 0.838 1032 S HN 0.401 nan 8.310 nan 0.000 0.462 1033 A N 1.870 124.653 122.820 -0.063 0.000 1.940 1033 A HA -0.048 4.273 4.320 0.001 0.000 0.219 1033 A C 2.175 179.769 177.584 0.016 0.000 1.176 1033 A CA 1.551 53.557 52.037 -0.050 0.000 0.631 1033 A CB -0.807 18.015 19.000 -0.297 0.000 0.814 1033 A HN 0.405 nan 8.150 nan 0.000 0.446 1034 L N -0.323 120.846 121.223 -0.090 0.000 2.005 1034 L HA -0.187 4.154 4.340 0.001 0.000 0.207 1034 L C 2.636 179.489 176.870 -0.028 0.000 1.072 1034 L CA 2.656 57.510 54.840 0.023 0.000 0.744 1034 L CB -0.854 41.201 42.059 -0.008 0.000 0.895 1034 L HN 0.620 nan 8.230 nan 0.000 0.433 1035 Q N -1.798 117.913 119.800 -0.147 0.000 2.181 1035 Q HA -0.258 4.083 4.340 0.001 0.000 0.205 1035 Q C 1.440 177.155 176.000 -0.475 0.000 0.980 1035 Q CA 2.002 57.592 55.803 -0.355 0.000 0.862 1035 Q CB -0.185 28.213 28.738 -0.567 0.000 0.905 1035 Q HN 0.635 nan 8.270 nan 0.000 0.429 1036 Y N 0.565 120.882 120.300 0.029 0.000 2.457 1036 Y HA 0.178 4.728 4.550 0.001 0.000 0.263 1036 Y C -0.111 175.830 175.900 0.069 0.000 1.164 1036 Y CA 0.067 58.194 58.100 0.044 0.000 1.274 1036 Y CB 0.684 39.171 38.460 0.044 0.000 1.097 1036 Y HN -0.019 nan 8.280 nan 0.000 0.523 1037 K N -0.743 119.753 120.400 0.160 0.000 3.162 1037 K HA -0.137 4.184 4.320 0.001 0.000 0.268 1037 K C -0.842 175.879 176.600 0.201 0.000 1.062 1037 K CA 0.316 56.698 56.287 0.158 0.000 0.769 1037 K CB -2.574 30.001 32.500 0.125 0.000 1.274 1037 K HN 0.106 nan 8.250 nan 0.000 0.478 1038 V N 1.152 121.206 119.914 0.232 0.000 2.427 1038 V HA 0.150 4.271 4.120 0.001 0.000 0.286 1038 V C 0.685 176.957 176.094 0.297 0.000 1.034 1038 V CA -0.816 61.639 62.300 0.259 0.000 0.893 1038 V CB 1.386 33.357 31.823 0.246 0.000 0.982 1038 V HN 0.407 nan 8.190 nan 0.000 0.452 1039 H N 4.913 124.130 119.070 0.245 0.000 3.004 1039 H HA 0.307 4.864 4.556 0.001 0.000 0.316 1039 H C -0.700 174.792 175.328 0.273 0.000 1.014 1039 H CA 0.313 56.502 56.048 0.235 0.000 1.454 1039 H CB 0.164 30.060 29.762 0.224 0.000 1.472 1039 H HN 0.657 nan 8.280 nan 0.000 0.571 1040 Y N 1.725 121.667 120.300 -0.597 0.000 2.512 1040 Y HA 0.527 5.078 4.550 0.001 0.000 0.348 1040 Y C -1.445 174.259 175.900 -0.327 0.000 0.990 1040 Y CA -1.547 56.332 58.100 -0.369 0.000 1.033 1040 Y CB 1.369 39.683 38.460 -0.243 0.000 1.259 1040 Y HN 0.439 nan 8.280 nan 0.000 0.461 1041 D N 1.124 121.447 120.400 -0.128 0.000 2.498 1041 D HA 0.320 4.961 4.640 0.001 0.000 0.247 1041 D C 0.188 176.517 176.300 0.049 0.000 1.070 1041 D CA -0.338 53.656 54.000 -0.010 0.000 0.842 1041 D CB 2.205 43.109 40.800 0.173 0.000 1.361 1041 D HN 0.800 nan 8.370 nan 0.000 0.484 1042 T N -2.770 111.830 114.554 0.077 0.000 3.085 1042 T HA 0.191 4.541 4.350 0.001 0.000 0.264 1042 T C 0.563 175.318 174.700 0.091 0.000 1.019 1042 T CA -0.185 61.974 62.100 0.099 0.000 0.910 1042 T CB -0.063 68.882 68.868 0.129 0.000 1.059 1042 T HN 0.379 nan 8.240 nan 0.000 0.542 1043 T N -0.726 113.891 114.554 0.104 0.000 2.893 1043 T HA 0.631 4.982 4.350 0.001 0.000 0.293 1043 T C 0.598 175.381 174.700 0.139 0.000 1.027 1043 T CA -0.872 61.302 62.100 0.123 0.000 0.988 1043 T CB 1.844 70.797 68.868 0.141 0.000 1.043 1043 T HN -0.094 nan 8.240 nan 0.000 0.461 1044 L N 2.340 123.657 121.223 0.157 0.000 2.056 1044 L HA 0.061 4.402 4.340 0.001 0.000 0.207 1044 L C 2.213 179.288 176.870 0.342 0.000 1.078 1044 L CA 1.704 56.679 54.840 0.225 0.000 0.749 1044 L CB -0.971 41.244 42.059 0.260 0.000 0.901 1044 L HN 0.711 nan 8.230 nan 0.000 0.433 1045 N N -0.250 118.611 118.700 0.269 0.000 2.205 1045 N HA -0.139 4.602 4.740 0.001 0.000 0.186 1045 N C 1.783 177.424 175.510 0.219 0.000 1.015 1045 N CA 1.288 54.489 53.050 0.253 0.000 0.862 1045 N CB -0.759 37.834 38.487 0.176 0.000 0.986 1045 N HN 0.468 nan 8.380 nan 0.000 0.429 1046 G N 0.034 108.947 108.800 0.189 0.000 2.433 1046 G HA2 -0.161 3.800 3.960 0.001 0.000 0.216 1046 G HA3 -0.161 3.800 3.960 0.001 0.000 0.216 1046 G C 1.632 176.612 174.900 0.134 0.000 1.186 1046 G CA 1.013 46.216 45.100 0.172 0.000 0.779 1046 G HN 0.424 nan 8.290 nan 0.000 0.543 1047 G N 0.286 109.170 108.800 0.141 0.000 2.440 1047 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 1047 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 1047 G C 1.630 176.450 174.900 -0.132 0.000 1.154 1047 G CA 0.725 45.869 45.100 0.074 0.000 0.767 1047 G HN 0.328 nan 8.290 nan 0.000 0.552 1048 F N 1.752 121.693 119.950 -0.015 0.000 2.126 1048 F HA 0.003 4.531 4.527 0.001 0.000 0.299 1048 F C 3.028 178.742 175.800 -0.143 0.000 1.096 1048 F CA 1.133 59.099 58.000 -0.056 0.000 1.255 1048 F CB -0.261 38.723 39.000 -0.027 0.000 0.997 1048 F HN 0.246 nan 8.300 nan 0.000 0.479 1049 A N -0.811 121.956 122.820 -0.089 0.000 1.898 1049 A HA -0.168 4.152 4.320 0.001 0.000 0.216 1049 A C 2.239 179.450 177.584 -0.622 0.000 1.181 1049 A CA 2.203 53.932 52.037 -0.514 0.000 0.620 1049 A CB -1.304 17.059 19.000 -1.061 0.000 0.819 1049 A HN 0.326 nan 8.150 nan 0.000 0.442 1050 T N 0.333 114.670 114.554 -0.362 0.000 2.684 1050 T HA -0.105 4.246 4.350 0.001 0.000 0.267 1050 T C 2.231 176.774 174.700 -0.262 0.000 1.036 1050 T CA 1.850 63.825 62.100 -0.209 0.000 1.148 1050 T CB -0.553 68.187 68.868 -0.214 0.000 0.863 1050 T HN 0.628 nan 8.240 nan 0.000 0.436 1051 A N 1.495 124.146 122.820 -0.281 0.000 1.884 1051 A HA -0.203 4.118 4.320 0.001 0.000 0.219 1051 A C 2.362 179.865 177.584 -0.134 0.000 1.197 1051 A CA 2.126 54.016 52.037 -0.244 0.000 0.637 1051 A CB -0.845 18.006 19.000 -0.250 0.000 0.827 1051 A HN 0.490 nan 8.150 nan 0.000 0.450 1052 M N -0.781 118.765 119.600 -0.089 0.000 2.082 1052 M HA -0.228 4.253 4.480 0.001 0.000 0.258 1052 M C 2.526 178.801 176.300 -0.043 0.000 1.069 1052 M CA 1.634 56.917 55.300 -0.029 0.000 1.102 1052 M CB -0.548 32.070 32.600 0.031 0.000 1.336 1052 M HN 0.512 nan 8.290 nan 0.000 0.404 1053 A N 0.367 123.147 122.820 -0.066 0.000 2.032 1053 A HA -0.180 4.141 4.320 0.001 0.000 0.221 1053 A C 2.059 179.616 177.584 -0.044 0.000 1.165 1053 A CA 1.445 53.470 52.037 -0.020 0.000 0.645 1053 A CB -1.076 17.982 19.000 0.096 0.000 0.807 1053 A HN 0.512 nan 8.150 nan 0.000 0.453 1054 L N -0.970 120.215 121.223 -0.065 0.000 2.187 1054 L HA -0.193 4.147 4.340 0.001 0.000 0.213 1054 L C 1.245 178.106 176.870 -0.015 0.000 1.100 1054 L CA 1.376 56.191 54.840 -0.043 0.000 0.765 1054 L CB -0.511 41.522 42.059 -0.044 0.000 0.904 1054 L HN 0.488 nan 8.230 nan 0.000 0.437 1055 N N -0.233 118.459 118.700 -0.013 0.000 2.362 1055 N HA 0.263 5.004 4.740 0.001 0.000 0.211 1055 N C -0.135 175.370 175.510 -0.008 0.000 1.170 1055 N CA -0.194 52.855 53.050 -0.001 0.000 0.828 1055 N CB 0.382 38.874 38.487 0.009 0.000 1.034 1055 N HN 0.218 nan 8.380 nan 0.000 0.475 1056 A N 0.050 122.857 122.820 -0.021 0.000 2.566 1056 A HA 0.493 4.814 4.320 0.001 0.000 0.292 1056 A C -1.677 175.879 177.584 -0.045 0.000 1.112 1056 A CA -0.654 51.365 52.037 -0.030 0.000 0.707 1056 A CB 1.580 20.558 19.000 -0.036 0.000 1.302 1056 A HN 0.054 nan 8.150 nan 0.000 0.409 1057 D N 0.614 120.984 120.400 -0.050 0.000 2.454 1057 D HA 0.575 5.216 4.640 0.001 0.000 0.247 1057 D C 0.860 177.108 176.300 -0.086 0.000 1.129 1057 D CA 0.329 54.288 54.000 -0.068 0.000 0.877 1057 D CB 1.392 42.158 40.800 -0.057 0.000 1.082 1057 D HN 0.580 nan 8.370 nan 0.000 0.537 1058 A N 2.440 125.191 122.820 -0.115 0.000 2.070 1058 A HA -0.119 4.201 4.320 0.001 0.000 0.220 1058 A C 1.889 179.390 177.584 -0.138 0.000 1.159 1058 A CA 1.912 53.870 52.037 -0.131 0.000 0.656 1058 A CB -0.479 18.423 19.000 -0.164 0.000 0.800 1058 A HN 0.573 nan 8.150 nan 0.000 0.453 1059 T N -3.381 111.081 114.554 -0.155 0.000 3.081 1059 T HA 0.107 4.457 4.350 0.001 0.000 0.250 1059 T C 1.424 176.059 174.700 -0.109 0.000 1.100 1059 T CA 0.835 62.840 62.100 -0.159 0.000 1.038 1059 T CB 0.022 68.767 68.868 -0.206 0.000 0.962 1059 T HN 0.563 nan 8.240 nan 0.000 0.516 1060 E N 1.550 121.701 120.200 -0.083 0.000 2.012 1060 E HA -0.083 4.268 4.350 0.001 0.000 0.197 1060 E C 0.746 177.321 176.600 -0.043 0.000 1.007 1060 E CA 0.915 57.282 56.400 -0.055 0.000 0.816 1060 E CB 0.145 29.821 29.700 -0.039 0.000 0.762 1060 E HN 0.532 nan 8.360 nan 0.000 0.451 1061 K N 0.072 120.449 120.400 -0.038 0.000 2.422 1061 K HA 0.330 4.651 4.320 0.001 0.000 0.251 1061 K C -1.156 175.433 176.600 -0.017 0.000 0.933 1061 K CA -0.654 55.620 56.287 -0.022 0.000 0.798 1061 K CB 2.131 34.624 32.500 -0.011 0.000 1.238 1061 K HN 0.059 nan 8.250 nan 0.000 0.428 1062 V N 1.757 121.677 119.914 0.010 0.000 2.715 1062 V HA 0.747 4.867 4.120 0.001 0.000 0.310 1062 V C -0.560 175.596 176.094 0.104 0.000 1.054 1062 V CA -0.899 61.441 62.300 0.067 0.000 0.928 1062 V CB 1.583 33.459 31.823 0.088 0.000 1.007 1062 V HN 0.875 nan 8.190 nan 0.000 0.437 1063 I N 3.064 123.669 120.570 0.060 0.000 2.644 1063 I HA 0.594 4.764 4.170 0.001 0.000 0.291 1063 I C 0.207 176.078 176.117 -0.409 0.000 1.180 1063 I CA -0.212 61.027 61.300 -0.103 0.000 1.040 1063 I CB 2.370 40.287 38.000 -0.138 0.000 1.255 1063 I HN 1.127 nan 8.210 nan 0.000 0.422 1064 S N 5.136 120.443 115.700 -0.656 0.000 2.600 1064 S HA 0.198 4.669 4.470 0.001 0.000 0.265 1064 S C 0.963 175.238 174.600 -0.543 0.000 1.325 1064 S CA -0.424 57.215 58.200 -0.937 0.000 1.002 1064 S CB 1.686 64.408 63.200 -0.796 0.000 0.921 1064 S HN 0.520 nan 8.310 nan 0.000 0.554 1065 V N 2.107 121.714 119.914 -0.513 0.000 2.667 1065 V HA -0.103 4.017 4.120 0.001 0.000 0.252 1065 V C 2.635 178.400 176.094 -0.549 0.000 1.065 1065 V CA 1.732 63.714 62.300 -0.531 0.000 1.083 1065 V CB -1.299 30.231 31.823 -0.488 0.000 0.692 1065 V HN 0.804 nan 8.190 nan 0.000 0.468 1066 Q N 0.399 119.988 119.800 -0.351 0.000 2.084 1066 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 1066 Q C 2.215 178.137 176.000 -0.129 0.000 0.978 1066 Q CA 1.813 57.498 55.803 -0.196 0.000 0.844 1066 Q CB -0.293 28.366 28.738 -0.133 0.000 0.898 1066 Q HN 0.693 nan 8.270 nan 0.000 0.426 1067 E N -0.355 119.744 120.200 -0.169 0.000 2.107 1067 E HA -0.120 4.231 4.350 0.001 0.000 0.191 1067 E C 1.930 178.493 176.600 -0.063 0.000 0.982 1067 E CA 0.916 57.256 56.400 -0.101 0.000 0.809 1067 E CB -0.097 29.532 29.700 -0.119 0.000 0.756 1067 E HN 0.341 nan 8.360 nan 0.000 0.459 1068 M N -0.113 119.398 119.600 -0.149 0.000 2.086 1068 M HA -0.170 4.310 4.480 0.001 0.000 0.261 1068 M C 1.981 178.453 176.300 0.287 0.000 1.067 1068 M CA 1.603 56.869 55.300 -0.056 0.000 1.116 1068 M CB -0.315 32.082 32.600 -0.338 0.000 1.348 1068 M HN 0.231 nan 8.290 nan 0.000 0.407 1069 H N -0.940 118.160 119.070 0.050 0.000 2.421 1069 H HA -0.058 4.499 4.556 0.001 0.000 0.298 1069 H C 2.089 177.445 175.328 0.046 0.000 1.087 1069 H CA 0.752 56.839 56.048 0.065 0.000 1.330 1069 H CB 0.022 29.797 29.762 0.022 0.000 1.388 1069 H HN 0.460 nan 8.280 nan 0.000 0.526 1070 A N 1.003 123.915 122.820 0.153 0.000 2.014 1070 A HA -0.148 4.172 4.320 0.001 0.000 0.218 1070 A C 2.033 179.664 177.584 0.078 0.000 1.163 1070 A CA 0.950 53.037 52.037 0.084 0.000 0.652 1070 A CB -0.175 18.852 19.000 0.046 0.000 0.808 1070 A HN 0.458 nan 8.150 nan 0.000 0.449 1071 Q N -0.418 119.451 119.800 0.115 0.000 2.482 1071 Q HA 0.157 4.498 4.340 0.001 0.000 0.209 1071 Q C -0.322 175.712 176.000 0.057 0.000 0.961 1071 Q CA 0.108 55.970 55.803 0.098 0.000 0.945 1071 Q CB -0.088 28.744 28.738 0.157 0.000 1.012 1071 Q HN 0.653 nan 8.270 nan 0.000 0.515 1072 I N 2.046 122.647 120.570 0.051 0.000 2.371 1072 I HA 0.117 4.288 4.170 0.001 0.000 0.290 1072 I C 0.263 176.368 176.117 -0.020 0.000 1.028 1072 I CA -0.475 60.813 61.300 -0.019 0.000 1.345 1072 I CB 0.650 38.621 38.000 -0.047 0.000 1.407 1072 I HN -0.102 nan 8.210 nan 0.000 0.501 1073 K N 0.000 120.379 120.400 -0.035 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 1073 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543