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 1c3o_1_C 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 PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV 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 0.000 176.260 176.300 -0.066 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.037 0.000 1.302 2 P HA 0.331 nan 4.420 nan 0.000 0.333 2 P C -1.282 175.696 177.300 -0.537 0.000 1.315 2 P CA -0.553 62.387 63.100 -0.267 0.000 0.746 2 P CB 0.069 31.695 31.700 -0.123 0.000 1.575 3 K N 0.299 120.245 120.400 -0.757 0.000 2.436 3 K HA 0.132 4.452 4.320 0.001 0.000 0.275 3 K C 0.085 176.595 176.600 -0.150 0.000 0.999 3 K CA -0.110 55.858 56.287 -0.533 0.000 0.980 3 K CB 0.463 32.814 32.500 -0.249 0.000 0.919 3 K HN 0.191 nan 8.250 nan 0.000 0.484 4 R N 0.965 121.448 120.500 -0.029 0.000 2.643 4 R HA -0.006 4.335 4.340 0.001 0.000 0.270 4 R C 0.590 176.942 176.300 0.087 0.000 1.061 4 R CA 0.615 56.732 56.100 0.028 0.000 1.107 4 R CB 0.504 30.831 30.300 0.045 0.000 0.999 4 R HN 0.906 nan 8.270 nan 0.000 0.460 5 T N -2.828 111.753 114.554 0.045 0.000 3.010 5 T HA -0.013 4.338 4.350 0.001 0.000 0.257 5 T C 0.616 175.345 174.700 0.048 0.000 1.020 5 T CA -0.115 62.008 62.100 0.038 0.000 0.938 5 T CB 0.155 69.026 68.868 0.005 0.000 1.049 5 T HN 0.642 nan 8.240 nan 0.000 0.522 6 D N 1.193 121.626 120.400 0.054 0.000 2.340 6 D HA 0.147 4.787 4.640 0.001 0.000 0.220 6 D C 0.310 176.652 176.300 0.070 0.000 1.039 6 D CA -0.239 53.791 54.000 0.049 0.000 0.866 6 D CB -0.132 40.688 40.800 0.034 0.000 0.913 6 D HN 0.433 nan 8.370 nan 0.000 0.523 7 I N 0.389 121.026 120.570 0.113 0.000 2.418 7 I HA 0.233 4.403 4.170 0.001 0.000 0.287 7 I C 0.917 177.182 176.117 0.247 0.000 1.008 7 I CA -0.643 60.746 61.300 0.149 0.000 1.104 7 I CB 2.365 40.438 38.000 0.123 0.000 1.264 7 I HN -0.288 nan 8.210 nan 0.000 0.438 8 K N 2.594 123.108 120.400 0.189 0.000 2.399 8 K HA 0.186 4.507 4.320 0.001 0.000 0.196 8 K C 0.357 177.094 176.600 0.229 0.000 1.117 8 K CA 0.407 56.805 56.287 0.184 0.000 0.965 8 K CB 0.926 33.475 32.500 0.082 0.000 0.983 8 K HN 0.675 nan 8.250 nan 0.000 0.531 9 S N 0.692 116.494 115.700 0.171 0.000 2.532 9 S HA 0.647 5.118 4.470 0.001 0.000 0.299 9 S C -0.457 174.196 174.600 0.090 0.000 1.105 9 S CA -0.850 57.428 58.200 0.130 0.000 1.018 9 S CB 1.352 64.605 63.200 0.087 0.000 1.021 9 S HN 0.067 nan 8.310 nan 0.000 0.483 10 I N 3.025 123.636 120.570 0.068 0.000 2.498 10 I HA 0.474 4.645 4.170 0.001 0.000 0.290 10 I C -1.066 175.068 176.117 0.029 0.000 1.032 10 I CA -0.950 60.361 61.300 0.019 0.000 1.073 10 I CB 2.028 40.002 38.000 -0.045 0.000 1.251 10 I HN 0.656 nan 8.210 nan 0.000 0.426 11 L N 7.619 128.855 121.223 0.021 0.000 2.282 11 L HA 0.638 4.979 4.340 0.001 0.000 0.288 11 L C -0.974 175.905 176.870 0.016 0.000 1.033 11 L CA 0.085 54.940 54.840 0.026 0.000 0.807 11 L CB 0.853 42.920 42.059 0.014 0.000 1.209 11 L HN 0.439 nan 8.230 nan 0.000 0.423 12 I N 6.042 126.626 120.570 0.024 0.000 2.354 12 I HA 0.298 4.468 4.170 0.001 0.000 0.292 12 I C -0.535 175.593 176.117 0.019 0.000 0.989 12 I CA -0.541 60.769 61.300 0.017 0.000 1.188 12 I CB 1.426 39.437 38.000 0.018 0.000 1.342 12 I HN 0.494 nan 8.210 nan 0.000 0.457 13 L N 6.293 127.519 121.223 0.006 0.000 2.278 13 L HA 0.411 4.752 4.340 0.001 0.000 0.287 13 L C 0.980 177.845 176.870 -0.009 0.000 1.072 13 L CA -0.294 54.545 54.840 -0.001 0.000 0.819 13 L CB 0.570 42.621 42.059 -0.012 0.000 1.176 13 L HN 0.691 nan 8.230 nan 0.000 0.435 14 G N 1.705 110.507 108.800 0.003 0.000 2.616 14 G HA2 0.385 4.346 3.960 0.001 0.000 0.268 14 G HA3 0.385 4.346 3.960 0.001 0.000 0.268 14 G C 0.750 175.633 174.900 -0.030 0.000 1.213 14 G CA 0.126 45.230 45.100 0.008 0.000 0.926 14 G HN 0.768 nan 8.290 nan 0.000 0.523 15 A N -1.036 121.770 122.820 -0.023 0.000 2.132 15 A HA 0.556 4.877 4.320 0.001 0.000 0.213 15 A C 1.578 179.144 177.584 -0.029 0.000 1.154 15 A CA 1.463 53.452 52.037 -0.080 0.000 0.753 15 A CB -0.861 18.082 19.000 -0.095 0.000 0.826 15 A HN 2.542 nan 8.150 nan 0.000 0.469 16 G N -0.649 108.153 108.800 0.004 0.000 2.725 16 G HA2 -0.082 3.879 3.960 0.001 0.000 0.220 16 G HA3 -0.082 3.879 3.960 0.001 0.000 0.220 16 G C -2.876 172.033 174.900 0.014 0.000 1.357 16 G CA -0.468 44.634 45.100 0.003 0.000 0.866 16 G HN 0.378 nan 8.290 nan 0.000 0.548 17 P HA 0.304 nan 4.420 nan 0.000 0.267 17 P C 0.387 177.693 177.300 0.011 0.000 1.201 17 P CA -0.088 63.008 63.100 -0.006 0.000 0.775 17 P CB 0.279 31.963 31.700 -0.027 0.000 0.854 18 I N 1.792 122.369 120.570 0.010 0.000 2.529 18 I HA 0.175 4.346 4.170 0.001 0.000 0.284 18 I C 0.908 177.024 176.117 -0.000 0.000 1.082 18 I CA -0.214 61.100 61.300 0.024 0.000 1.406 18 I CB 0.430 38.441 38.000 0.018 0.000 1.405 18 I HN 0.215 nan 8.210 nan 0.000 0.548 19 V N 4.410 124.326 119.914 0.004 0.000 3.160 19 V HA 0.564 4.684 4.120 0.001 0.000 0.310 19 V C -0.069 176.006 176.094 -0.032 0.000 1.181 19 V CA -1.178 61.106 62.300 -0.027 0.000 1.047 19 V CB 2.089 33.889 31.823 -0.039 0.000 1.068 19 V HN 0.458 nan 8.190 nan 0.000 0.441 20 I N 2.081 122.609 120.570 -0.070 0.000 2.668 20 I HA 0.430 4.600 4.170 0.001 0.000 0.285 20 I C 1.537 177.605 176.117 -0.081 0.000 1.168 20 I CA 1.864 63.113 61.300 -0.086 0.000 1.424 20 I CB 0.601 38.517 38.000 -0.140 0.000 1.377 20 I HN 1.257 nan 8.210 nan 0.000 0.560 21 G N 4.879 113.641 108.800 -0.063 0.000 2.241 21 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 21 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 21 G C 0.315 175.251 174.900 0.059 0.000 0.998 21 G CA 0.118 45.190 45.100 -0.048 0.000 0.621 21 G HN 0.607 nan 8.290 nan 0.000 0.519 22 Q N 0.197 120.052 119.800 0.092 0.000 3.255 22 Q HA 0.687 5.028 4.340 0.001 0.000 0.231 22 Q C 0.161 176.291 176.000 0.217 0.000 0.935 22 Q CA 0.402 56.356 55.803 0.251 0.000 0.714 22 Q CB 0.668 29.499 28.738 0.156 0.000 1.345 22 Q HN 0.878 nan 8.270 nan 0.000 0.463 23 A N 0.378 123.294 122.820 0.160 0.000 3.791 23 A HA 0.379 4.700 4.320 0.001 0.000 0.159 23 A C 1.162 178.777 177.584 0.053 0.000 1.359 23 A CA -0.140 51.942 52.037 0.075 0.000 0.899 23 A CB -0.368 18.632 19.000 0.001 0.000 1.642 23 A HN 0.820 nan 8.150 nan 0.000 0.612 24 C N 1.069 120.370 119.300 0.002 0.000 2.403 24 C HA -0.134 4.326 4.460 0.001 0.000 0.279 24 C C 2.538 177.511 174.990 -0.028 0.000 1.269 24 C CA 1.204 60.228 59.018 0.011 0.000 1.774 24 C CB -1.494 26.251 27.740 0.008 0.000 1.993 24 C HN 0.866 nan 8.230 nan 0.000 0.496 25 E N 1.317 121.405 120.200 -0.187 0.000 2.284 25 E HA -0.255 4.096 4.350 0.001 0.000 0.200 25 E C 1.357 177.771 176.600 -0.311 0.000 1.008 25 E CA 1.722 57.951 56.400 -0.286 0.000 0.829 25 E CB -0.688 28.697 29.700 -0.526 0.000 0.744 25 E HN 0.670 nan 8.360 nan 0.000 0.491 26 F N 1.160 121.176 119.950 0.111 0.000 2.664 26 F HA 0.109 4.636 4.527 0.001 0.000 0.296 26 F C 2.018 177.861 175.800 0.071 0.000 1.125 26 F CA 0.607 58.653 58.000 0.077 0.000 1.444 26 F CB -0.132 38.896 39.000 0.047 0.000 1.114 26 F HN 0.012 nan 8.300 nan 0.000 0.576 27 D N -0.834 119.691 120.400 0.208 0.000 2.183 27 D HA -0.202 4.439 4.640 0.001 0.000 0.205 27 D C 2.174 178.565 176.300 0.152 0.000 0.962 27 D CA 0.915 55.013 54.000 0.163 0.000 0.849 27 D CB -0.297 40.590 40.800 0.145 0.000 0.978 27 D HN 0.252 nan 8.370 nan 0.000 0.488 28 Y N 1.206 121.522 120.300 0.026 0.000 2.128 28 Y HA -0.165 4.385 4.550 0.001 0.000 0.284 28 Y C 2.277 178.188 175.900 0.019 0.000 1.154 28 Y CA 2.246 60.348 58.100 0.002 0.000 1.149 28 Y CB -0.610 37.833 38.460 -0.028 0.000 0.976 28 Y HN -0.068 nan 8.280 nan 0.000 0.505 29 S N 0.040 115.640 115.700 -0.166 0.000 2.371 29 S HA -0.053 4.418 4.470 0.001 0.000 0.224 29 S C 2.213 176.767 174.600 -0.077 0.000 1.029 29 S CA 0.987 59.059 58.200 -0.213 0.000 0.978 29 S CB -1.003 62.218 63.200 0.035 0.000 0.833 29 S HN 0.698 nan 8.310 nan 0.000 0.466 30 G N 1.308 110.128 108.800 0.033 0.000 2.422 30 G HA2 0.054 4.015 3.960 0.001 0.000 0.218 30 G HA3 0.054 4.015 3.960 0.001 0.000 0.218 30 G C 1.513 176.413 174.900 -0.000 0.000 1.140 30 G CA 0.739 45.860 45.100 0.036 0.000 0.775 30 G HN 0.556 nan 8.290 nan 0.000 0.545 31 A N 0.403 123.216 122.820 -0.011 0.000 1.902 31 A HA -0.059 4.262 4.320 0.001 0.000 0.217 31 A C 2.296 179.842 177.584 -0.065 0.000 1.181 31 A CA 1.794 53.821 52.037 -0.016 0.000 0.623 31 A CB -0.382 18.622 19.000 0.006 0.000 0.818 31 A HN 0.420 nan 8.150 nan 0.000 0.443 32 Q N -0.785 118.922 119.800 -0.155 0.000 2.079 32 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 32 Q C 2.465 178.409 176.000 -0.093 0.000 0.974 32 Q CA 1.229 56.930 55.803 -0.171 0.000 0.840 32 Q CB -0.349 28.201 28.738 -0.313 0.000 0.898 32 Q HN 0.690 nan 8.270 nan 0.000 0.430 33 A N 0.368 123.145 122.820 -0.072 0.000 1.877 33 A HA -0.215 4.105 4.320 0.001 0.000 0.216 33 A C 2.357 179.934 177.584 -0.012 0.000 1.186 33 A CA 1.434 53.452 52.037 -0.031 0.000 0.620 33 A CB -1.058 17.932 19.000 -0.015 0.000 0.822 33 A HN 0.501 nan 8.150 nan 0.000 0.443 34 C N -0.572 118.725 119.300 -0.005 0.000 2.413 34 C HA -0.099 4.361 4.460 0.001 0.000 0.276 34 C C 2.761 177.762 174.990 0.019 0.000 1.248 34 C CA 1.475 60.501 59.018 0.014 0.000 1.742 34 C CB -1.014 26.737 27.740 0.019 0.000 2.017 34 C HN 0.774 nan 8.230 nan 0.000 0.481 35 K N 1.128 121.530 120.400 0.003 0.000 2.097 35 K HA -0.069 4.252 4.320 0.001 0.000 0.205 35 K C 2.062 178.671 176.600 0.015 0.000 1.050 35 K CA 1.520 57.810 56.287 0.005 0.000 0.938 35 K CB -0.273 32.219 32.500 -0.014 0.000 0.718 35 K HN 0.379 nan 8.250 nan 0.000 0.442 36 A N 1.328 124.152 122.820 0.006 0.000 1.898 36 A HA -0.043 4.278 4.320 0.001 0.000 0.216 36 A C 2.085 179.707 177.584 0.064 0.000 1.181 36 A CA 1.123 53.168 52.037 0.013 0.000 0.620 36 A CB -0.479 18.516 19.000 -0.007 0.000 0.819 36 A HN 0.315 nan 8.150 nan 0.000 0.442 37 L N -1.238 120.028 121.223 0.072 0.000 2.109 37 L HA -0.050 4.290 4.340 0.001 0.000 0.207 37 L C 2.724 179.737 176.870 0.238 0.000 1.086 37 L CA 1.278 56.204 54.840 0.144 0.000 0.760 37 L CB -0.455 41.621 42.059 0.029 0.000 0.910 37 L HN 0.405 nan 8.230 nan 0.000 0.437 38 R N 0.742 121.323 120.500 0.135 0.000 2.092 38 R HA -0.157 4.184 4.340 0.001 0.000 0.231 38 R C 2.028 178.383 176.300 0.092 0.000 1.119 38 R CA 1.338 57.504 56.100 0.111 0.000 0.970 38 R CB -0.045 30.295 30.300 0.066 0.000 0.864 38 R HN 0.395 nan 8.270 nan 0.000 0.440 39 E N 0.196 120.442 120.200 0.077 0.000 2.097 39 E HA -0.175 4.176 4.350 0.001 0.000 0.196 39 E C 1.105 177.745 176.600 0.067 0.000 1.000 39 E CA 1.113 57.545 56.400 0.052 0.000 0.804 39 E CB 0.102 29.820 29.700 0.031 0.000 0.740 39 E HN 0.329 nan 8.360 nan 0.000 0.454 40 E N -0.451 119.832 120.200 0.138 0.000 2.463 40 E HA 0.038 4.389 4.350 0.001 0.000 0.191 40 E C 0.677 177.276 176.600 -0.003 0.000 1.083 40 E CA 0.494 57.001 56.400 0.179 0.000 0.872 40 E CB 0.385 30.348 29.700 0.439 0.000 0.966 40 E HN 0.358 nan 8.360 nan 0.000 0.491 41 G N 1.390 110.180 108.800 -0.016 0.000 2.272 41 G HA2 -0.303 3.658 3.960 0.001 0.000 0.280 41 G HA3 -0.303 3.658 3.960 0.001 0.000 0.280 41 G C -0.402 174.343 174.900 -0.259 0.000 1.067 41 G CA 0.235 45.260 45.100 -0.126 0.000 0.902 41 G HN 0.227 nan 8.290 nan 0.000 0.500 42 Y N -1.190 119.136 120.300 0.043 0.000 2.496 42 Y HA 0.638 5.189 4.550 0.001 0.000 0.331 42 Y C 1.057 176.976 175.900 0.031 0.000 1.140 42 Y CA -1.134 56.990 58.100 0.039 0.000 1.166 42 Y CB 1.096 39.585 38.460 0.047 0.000 1.249 42 Y HN 0.133 nan 8.280 nan 0.000 0.479 43 R N 1.546 122.179 120.500 0.221 0.000 2.216 43 R HA 0.442 4.782 4.340 0.001 0.000 0.332 43 R C -1.615 174.758 176.300 0.122 0.000 1.056 43 R CA -0.337 55.840 56.100 0.129 0.000 0.901 43 R CB 0.244 30.600 30.300 0.093 0.000 1.039 43 R HN 0.478 nan 8.270 nan 0.000 0.456 44 V N 6.980 126.950 119.914 0.093 0.000 2.364 44 V HA 0.366 4.487 4.120 0.001 0.000 0.272 44 V C 0.125 176.254 176.094 0.058 0.000 1.036 44 V CA -0.574 61.769 62.300 0.072 0.000 0.880 44 V CB 1.181 33.042 31.823 0.063 0.000 0.991 44 V HN 0.608 nan 8.190 nan 0.000 0.460 45 I N 6.652 127.261 120.570 0.065 0.000 2.465 45 I HA 0.706 4.876 4.170 0.001 0.000 0.291 45 I C -0.540 175.628 176.117 0.085 0.000 1.014 45 I CA -0.568 60.786 61.300 0.089 0.000 1.093 45 I CB 1.808 39.874 38.000 0.111 0.000 1.267 45 I HN 0.626 nan 8.210 nan 0.000 0.431 46 L N 5.070 126.356 121.223 0.104 0.000 2.424 46 L HA 0.915 5.256 4.340 0.001 0.000 0.258 46 L C -1.430 175.520 176.870 0.133 0.000 0.995 46 L CA -0.917 53.976 54.840 0.088 0.000 0.821 46 L CB 2.096 44.187 42.059 0.055 0.000 1.383 46 L HN 0.356 nan 8.230 nan 0.000 0.410 47 V N 2.296 122.269 119.914 0.098 0.000 2.540 47 V HA 0.746 4.866 4.120 0.001 0.000 0.302 47 V C -1.428 174.701 176.094 0.058 0.000 1.035 47 V CA 0.045 62.405 62.300 0.101 0.000 0.873 47 V CB 1.702 33.565 31.823 0.066 0.000 0.992 47 V HN 0.960 nan 8.190 nan 0.000 0.428 48 N N 2.978 121.711 118.700 0.055 0.000 2.648 48 N HA 0.212 4.952 4.740 0.001 0.000 0.272 48 N C 0.404 175.931 175.510 0.029 0.000 1.118 48 N CA 0.288 53.360 53.050 0.037 0.000 0.973 48 N CB 2.355 40.868 38.487 0.044 0.000 1.565 48 N HN 0.653 nan 8.380 nan 0.000 0.542 49 S N 1.388 117.097 115.700 0.016 0.000 2.481 49 S HA -0.015 4.455 4.470 0.001 0.000 0.231 49 S C 0.771 175.373 174.600 0.003 0.000 0.996 49 S CA 0.170 58.373 58.200 0.005 0.000 0.942 49 S CB -0.149 63.044 63.200 -0.010 0.000 0.768 49 S HN 0.562 nan 8.310 nan 0.000 0.520 50 N N 3.332 122.037 118.700 0.007 0.000 2.411 50 N HA 0.239 4.980 4.740 0.001 0.000 0.259 50 N C -1.921 173.590 175.510 0.002 0.000 1.103 50 N CA -2.218 50.833 53.050 0.001 0.000 0.954 50 N CB 1.408 39.903 38.487 0.013 0.000 1.085 50 N HN 0.041 nan 8.380 nan 0.000 0.485 51 P HA 0.066 nan 4.420 nan 0.000 0.235 51 P C 0.085 177.309 177.300 -0.128 0.000 1.177 51 P CA 0.431 63.519 63.100 -0.019 0.000 0.785 51 P CB 0.202 31.933 31.700 0.051 0.000 0.885 52 A N 0.417 123.133 122.820 -0.174 0.000 2.648 52 A HA 0.290 4.611 4.320 0.001 0.000 0.269 52 A C 0.508 178.030 177.584 -0.103 0.000 1.392 52 A CA 0.053 51.866 52.037 -0.373 0.000 1.019 52 A CB -1.439 17.375 19.000 -0.311 0.000 1.009 52 A HN 0.257 nan 8.150 nan 0.000 0.565 53 T N -2.808 111.776 114.554 0.050 0.000 2.823 53 T HA 0.512 4.862 4.350 0.001 0.000 0.279 53 T C 0.886 175.769 174.700 0.304 0.000 0.998 53 T CA -0.710 61.499 62.100 0.181 0.000 0.994 53 T CB 1.086 70.022 68.868 0.113 0.000 0.960 53 T HN -0.031 nan 8.240 nan 0.000 0.448 54 I N 2.321 123.037 120.570 0.244 0.000 2.394 54 I HA -0.093 4.078 4.170 0.001 0.000 0.251 54 I C 2.321 178.521 176.117 0.139 0.000 1.136 54 I CA 1.273 62.670 61.300 0.162 0.000 1.425 54 I CB -1.002 37.041 38.000 0.072 0.000 1.079 54 I HN 0.861 nan 8.210 nan 0.000 0.425 55 M N 0.757 120.428 119.600 0.119 0.000 2.446 55 M HA -0.172 4.309 4.480 0.001 0.000 0.263 55 M C 1.600 177.947 176.300 0.078 0.000 1.066 55 M CA 1.928 57.279 55.300 0.085 0.000 1.087 55 M CB -0.368 32.279 32.600 0.078 0.000 1.406 55 M HN 0.326 nan 8.290 nan 0.000 0.459 56 T N -3.066 111.548 114.554 0.101 0.000 3.069 56 T HA 0.155 4.506 4.350 0.001 0.000 0.252 56 T C 0.029 174.787 174.700 0.096 0.000 1.053 56 T CA -0.530 61.615 62.100 0.075 0.000 0.964 56 T CB -0.313 68.591 68.868 0.059 0.000 1.005 56 T HN 0.204 nan 8.240 nan 0.000 0.532 57 D N 4.018 124.501 120.400 0.138 0.000 2.458 57 D HA 0.138 4.779 4.640 0.001 0.000 0.243 57 D C -1.225 175.131 176.300 0.095 0.000 1.146 57 D CA -1.891 52.204 54.000 0.159 0.000 0.877 57 D CB 1.601 42.505 40.800 0.174 0.000 1.176 57 D HN 0.127 nan 8.370 nan 0.000 0.461 58 P HA -0.199 nan 4.420 nan 0.000 0.216 58 P C 1.035 178.360 177.300 0.041 0.000 1.150 58 P CA 1.279 64.419 63.100 0.067 0.000 0.843 58 P CB 0.125 31.916 31.700 0.151 0.000 0.787 59 E N -1.120 119.107 120.200 0.045 0.000 2.478 59 E HA -0.069 4.281 4.350 0.001 0.000 0.198 59 E C 1.368 177.980 176.600 0.020 0.000 1.046 59 E CA 0.676 57.090 56.400 0.023 0.000 0.870 59 E CB -0.542 29.164 29.700 0.009 0.000 0.818 59 E HN 0.163 nan 8.360 nan 0.000 0.527 60 M N 0.728 120.345 119.600 0.028 0.000 2.514 60 M HA 0.296 4.777 4.480 0.001 0.000 0.258 60 M C 0.890 177.204 176.300 0.024 0.000 1.119 60 M CA 0.230 55.545 55.300 0.026 0.000 1.111 60 M CB 0.083 32.705 32.600 0.037 0.000 1.390 60 M HN 0.208 nan 8.290 nan 0.000 0.475 61 A N -0.854 121.976 122.820 0.017 0.000 2.568 61 A HA 0.508 4.829 4.320 0.001 0.000 0.291 61 A C -0.025 177.560 177.584 0.003 0.000 1.159 61 A CA -0.612 51.434 52.037 0.015 0.000 0.679 61 A CB 0.531 19.540 19.000 0.016 0.000 1.285 61 A HN 0.149 nan 8.150 nan 0.000 0.428 62 D N -0.001 120.403 120.400 0.007 0.000 2.144 62 D HA 0.259 4.899 4.640 0.001 0.000 0.207 62 D C 0.792 177.069 176.300 -0.039 0.000 0.970 62 D CA 1.805 55.803 54.000 -0.002 0.000 0.853 62 D CB 0.123 40.936 40.800 0.021 0.000 1.007 62 D HN 0.704 nan 8.370 nan 0.000 0.469 63 A N 1.150 123.941 122.820 -0.049 0.000 2.409 63 A HA 0.489 4.810 4.320 0.001 0.000 0.300 63 A C -0.544 176.903 177.584 -0.229 0.000 1.273 63 A CA -0.495 51.452 52.037 -0.151 0.000 0.774 63 A CB 0.885 19.872 19.000 -0.022 0.000 1.144 63 A HN -0.116 nan 8.150 nan 0.000 0.472 64 T N 2.485 116.833 114.554 -0.344 0.000 2.749 64 T HA 0.466 4.817 4.350 0.001 0.000 0.287 64 T C -1.067 173.340 174.700 -0.487 0.000 0.970 64 T CA 0.259 62.196 62.100 -0.272 0.000 0.980 64 T CB 0.135 68.914 68.868 -0.147 0.000 0.924 64 T HN 0.389 nan 8.240 nan 0.000 0.456 65 Y N 2.627 122.898 120.300 -0.049 0.000 2.478 65 Y HA 0.429 4.980 4.550 0.001 0.000 0.329 65 Y C 0.482 176.349 175.900 -0.056 0.000 0.967 65 Y CA -1.091 56.971 58.100 -0.063 0.000 1.255 65 Y CB 0.465 38.890 38.460 -0.059 0.000 1.103 65 Y HN 0.574 nan 8.280 nan 0.000 0.497 66 I N 4.954 125.546 120.570 0.037 0.000 2.224 66 I HA 0.164 4.334 4.170 0.001 0.000 0.293 66 I C -0.224 175.909 176.117 0.026 0.000 1.155 66 I CA 0.172 61.482 61.300 0.017 0.000 1.297 66 I CB -0.199 37.787 38.000 -0.023 0.000 1.487 66 I HN 0.530 nan 8.210 nan 0.000 0.564 67 E N 5.718 125.944 120.200 0.043 0.000 2.393 67 E HA 0.450 4.801 4.350 0.001 0.000 0.273 67 E C -2.594 174.000 176.600 -0.009 0.000 0.918 67 E CA -2.107 54.299 56.400 0.009 0.000 0.773 67 E CB 1.947 31.653 29.700 0.011 0.000 1.275 67 E HN 0.009 nan 8.360 nan 0.000 0.451 68 P HA 0.089 nan 4.420 nan 0.000 0.262 68 P C 0.104 177.407 177.300 0.005 0.000 1.182 68 P CA 0.422 63.506 63.100 -0.026 0.000 0.761 68 P CB 0.162 31.830 31.700 -0.053 0.000 0.795 69 I N 3.745 124.325 120.570 0.017 0.000 2.270 69 I HA 0.049 4.220 4.170 0.001 0.000 0.294 69 I C 1.068 177.219 176.117 0.057 0.000 1.164 69 I CA 0.199 61.513 61.300 0.024 0.000 1.680 69 I CB -0.935 37.069 38.000 0.007 0.000 1.494 69 I HN 0.389 nan 8.210 nan 0.000 0.767 70 H N 5.336 124.379 119.070 -0.045 0.000 2.495 70 H HA 0.058 4.614 4.556 0.001 0.000 0.348 70 H C 0.635 175.929 175.328 -0.058 0.000 1.113 70 H CA -0.821 55.199 56.048 -0.047 0.000 1.195 70 H CB 1.580 31.267 29.762 -0.125 0.000 1.521 70 H HN 0.572 nan 8.280 nan 0.000 0.509 71 W N 5.088 126.145 121.300 -0.405 0.000 2.331 71 W HA -0.151 4.510 4.660 0.001 0.000 0.291 71 W C 0.420 176.953 176.519 0.022 0.000 1.214 71 W CA 1.099 58.341 57.345 -0.172 0.000 1.228 71 W CB -0.424 28.910 29.460 -0.209 0.000 1.135 71 W HN 0.650 nan 8.180 nan 0.000 0.537 72 E N 0.814 120.591 120.200 -0.704 0.000 2.106 72 E HA -0.139 4.212 4.350 0.001 0.000 0.192 72 E C 2.410 178.839 176.600 -0.285 0.000 0.984 72 E CA 1.525 57.500 56.400 -0.710 0.000 0.806 72 E CB -0.228 29.026 29.700 -0.743 0.000 0.750 72 E HN 0.121 nan 8.360 nan 0.000 0.458 73 V N 0.705 120.528 119.914 -0.151 0.000 2.548 73 V HA -0.170 3.951 4.120 0.001 0.000 0.249 73 V C 2.198 178.195 176.094 -0.160 0.000 1.055 73 V CA 0.993 63.203 62.300 -0.151 0.000 1.065 73 V CB 0.030 31.787 31.823 -0.110 0.000 0.681 73 V HN 0.127 nan 8.190 nan 0.000 0.462 74 V N -0.039 119.814 119.914 -0.102 0.000 2.427 74 V HA -0.225 3.895 4.120 0.001 0.000 0.248 74 V C 2.545 178.564 176.094 -0.125 0.000 1.051 74 V CA 2.157 64.395 62.300 -0.103 0.000 1.048 74 V CB -0.734 31.077 31.823 -0.021 0.000 0.666 74 V HN 0.487 nan 8.190 nan 0.000 0.456 75 R N 0.031 120.489 120.500 -0.070 0.000 2.091 75 R HA -0.189 4.152 4.340 0.001 0.000 0.238 75 R C 2.424 178.602 176.300 -0.203 0.000 1.136 75 R CA 1.375 57.439 56.100 -0.062 0.000 0.959 75 R CB -0.088 30.239 30.300 0.046 0.000 0.856 75 R HN 0.301 nan 8.270 nan 0.000 0.437 76 K N 0.721 120.999 120.400 -0.204 0.000 2.026 76 K HA -0.129 4.192 4.320 0.001 0.000 0.208 76 K C 2.084 178.492 176.600 -0.320 0.000 1.048 76 K CA 1.406 57.554 56.287 -0.232 0.000 0.929 76 K CB -0.466 31.911 32.500 -0.206 0.000 0.713 76 K HN 0.305 nan 8.250 nan 0.000 0.439 77 I N 0.747 121.086 120.570 -0.386 0.000 2.163 77 I HA -0.300 3.871 4.170 0.001 0.000 0.243 77 I C 2.384 178.274 176.117 -0.377 0.000 1.085 77 I CA 1.169 62.157 61.300 -0.519 0.000 1.347 77 I CB -0.296 37.331 38.000 -0.622 0.000 1.044 77 I HN 0.068 nan 8.210 nan 0.000 0.408 78 I N 0.558 120.912 120.570 -0.360 0.000 2.127 78 I HA -0.339 3.832 4.170 0.001 0.000 0.241 78 I C 2.698 178.448 176.117 -0.612 0.000 1.075 78 I CA 1.662 62.726 61.300 -0.392 0.000 1.334 78 I CB -0.413 37.358 38.000 -0.382 0.000 1.040 78 I HN 0.321 nan 8.210 nan 0.000 0.405 79 E N 1.455 121.110 120.200 -0.908 0.000 2.065 79 E HA -0.351 3.999 4.350 0.001 0.000 0.201 79 E C 2.238 178.620 176.600 -0.362 0.000 1.016 79 E CA 2.082 57.898 56.400 -0.973 0.000 0.818 79 E CB -0.115 29.266 29.700 -0.532 0.000 0.749 79 E HN 0.340 nan 8.360 nan 0.000 0.453 80 K N -0.253 119.988 120.400 -0.264 0.000 2.097 80 K HA -0.140 4.180 4.320 0.001 0.000 0.205 80 K C 1.864 178.416 176.600 -0.081 0.000 1.050 80 K CA 1.477 57.686 56.287 -0.129 0.000 0.938 80 K CB 0.160 32.590 32.500 -0.117 0.000 0.718 80 K HN 0.093 nan 8.250 nan 0.000 0.442 81 E N 0.382 120.515 120.200 -0.111 0.000 2.276 81 E HA 0.027 4.377 4.350 0.001 0.000 0.193 81 E C -0.225 176.363 176.600 -0.021 0.000 0.983 81 E CA 0.050 56.435 56.400 -0.026 0.000 0.861 81 E CB 0.343 30.053 29.700 0.017 0.000 0.817 81 E HN 0.194 nan 8.360 nan 0.000 0.485 82 R N 1.253 121.709 120.500 -0.072 0.000 3.079 82 R HA -0.118 4.223 4.340 0.001 0.000 0.254 82 R C -2.387 173.929 176.300 0.026 0.000 0.900 82 R CA 0.281 56.377 56.100 -0.005 0.000 0.641 82 R CB -1.667 28.665 30.300 0.054 0.000 1.307 82 R HN 0.208 nan 8.270 nan 0.000 0.477 83 P HA 0.087 nan 4.420 nan 0.000 0.275 83 P C 0.177 177.508 177.300 0.052 0.000 1.228 83 P CA -0.246 62.875 63.100 0.034 0.000 0.786 83 P CB 0.654 32.364 31.700 0.018 0.000 0.927 84 D N 0.318 120.752 120.400 0.057 0.000 2.249 84 D HA 0.135 4.776 4.640 0.001 0.000 0.205 84 D C 0.698 177.025 176.300 0.045 0.000 0.962 84 D CA 1.028 55.063 54.000 0.058 0.000 0.860 84 D CB 0.455 41.294 40.800 0.066 0.000 0.955 84 D HN 0.475 nan 8.370 nan 0.000 0.505 85 A N -0.069 122.771 122.820 0.033 0.000 2.606 85 A HA 0.548 4.869 4.320 0.001 0.000 0.293 85 A C -1.546 176.044 177.584 0.010 0.000 1.082 85 A CA -0.583 51.465 52.037 0.017 0.000 0.685 85 A CB 2.209 21.210 19.000 0.001 0.000 1.284 85 A HN -0.072 nan 8.150 nan 0.000 0.408 86 V N 1.526 121.444 119.914 0.007 0.000 2.487 86 V HA 0.689 4.810 4.120 0.001 0.000 0.298 86 V C -1.535 174.557 176.094 -0.003 0.000 1.028 86 V CA -0.675 61.628 62.300 0.004 0.000 0.860 86 V CB 1.323 33.152 31.823 0.010 0.000 0.991 86 V HN 1.017 nan 8.190 nan 0.000 0.427 87 L N 10.257 131.476 121.223 -0.007 0.000 2.262 87 L HA 0.746 5.087 4.340 0.001 0.000 0.288 87 L C -2.093 174.775 176.870 -0.004 0.000 1.035 87 L CA -1.350 53.485 54.840 -0.008 0.000 0.820 87 L CB 1.851 43.900 42.059 -0.016 0.000 1.204 87 L HN 0.532 nan 8.230 nan 0.000 0.424 88 P HA 0.140 nan 4.420 nan 0.000 0.282 88 P C 0.554 177.845 177.300 -0.015 0.000 1.373 88 P CA 0.124 63.220 63.100 -0.008 0.000 1.001 88 P CB 0.353 32.053 31.700 0.001 0.000 1.489 89 T N -4.388 110.165 114.554 -0.003 0.000 3.107 89 T HA 0.206 4.557 4.350 0.001 0.000 0.249 89 T C 1.133 175.845 174.700 0.020 0.000 1.096 89 T CA 0.159 62.263 62.100 0.005 0.000 1.012 89 T CB -0.505 68.375 68.868 0.021 0.000 0.977 89 T HN -0.129 nan 8.240 nan 0.000 0.527 90 M N 1.167 120.774 119.600 0.012 0.000 2.484 90 M HA 0.397 4.877 4.480 0.001 0.000 0.307 90 M C 1.084 177.401 176.300 0.029 0.000 1.149 90 M CA -0.023 55.313 55.300 0.061 0.000 0.972 90 M CB 0.764 33.395 32.600 0.053 0.000 1.400 90 M HN 0.428 nan 8.290 nan 0.000 0.508 91 G N -0.019 108.688 108.800 -0.155 0.000 4.716 91 G HA2 0.489 4.450 3.960 0.001 0.000 0.282 91 G HA3 0.489 4.450 3.960 0.001 0.000 0.282 91 G C 0.738 175.206 174.900 -0.720 0.000 1.173 91 G CA 0.096 44.998 45.100 -0.331 0.000 0.913 91 G HN 0.565 nan 8.290 nan 0.000 0.566 92 G N 0.883 108.922 108.800 -1.268 0.000 2.574 92 G HA2 -0.388 3.572 3.960 0.001 0.000 0.282 92 G HA3 -0.388 3.572 3.960 0.001 0.000 0.282 92 G C 0.997 175.634 174.900 -0.439 0.000 1.257 92 G CA 0.896 45.283 45.100 -1.188 0.000 0.956 92 G HN 0.641 nan 8.290 nan 0.000 0.560 93 Q N -1.146 118.483 119.800 -0.286 0.000 2.137 93 Q HA 0.087 4.428 4.340 0.001 0.000 0.198 93 Q C 2.925 178.872 176.000 -0.089 0.000 0.960 93 Q CA 2.533 58.261 55.803 -0.124 0.000 0.847 93 Q CB -0.590 28.110 28.738 -0.063 0.000 0.915 93 Q HN 0.699 nan 8.270 nan 0.000 0.448 94 T N 0.326 114.807 114.554 -0.123 0.000 2.635 94 T HA -0.268 4.082 4.350 0.001 0.000 0.267 94 T C 1.677 176.336 174.700 -0.067 0.000 1.040 94 T CA 1.633 63.685 62.100 -0.079 0.000 1.156 94 T CB -0.646 68.170 68.868 -0.087 0.000 0.863 94 T HN 0.491 nan 8.240 nan 0.000 0.430 95 A N 1.106 123.861 122.820 -0.108 0.000 1.883 95 A HA -0.025 4.296 4.320 0.001 0.000 0.217 95 A C 2.362 179.924 177.584 -0.037 0.000 1.186 95 A CA 1.343 53.335 52.037 -0.075 0.000 0.624 95 A CB -0.910 18.030 19.000 -0.101 0.000 0.822 95 A HN 0.484 nan 8.150 nan 0.000 0.444 96 L N -0.480 120.723 121.223 -0.034 0.000 2.012 96 L HA -0.242 4.099 4.340 0.001 0.000 0.210 96 L C 2.439 179.354 176.870 0.076 0.000 1.073 96 L CA 1.607 56.463 54.840 0.027 0.000 0.748 96 L CB -0.828 41.251 42.059 0.033 0.000 0.891 96 L HN 0.384 nan 8.230 nan 0.000 0.431 97 N N -0.434 118.308 118.700 0.070 0.000 2.084 97 N HA -0.208 4.533 4.740 0.001 0.000 0.190 97 N C 1.899 177.399 175.510 -0.017 0.000 1.030 97 N CA 1.584 54.662 53.050 0.047 0.000 0.849 97 N CB -0.897 37.610 38.487 0.032 0.000 1.012 97 N HN 0.356 nan 8.380 nan 0.000 0.423 98 C N 0.865 120.158 119.300 -0.013 0.000 2.425 98 C HA 0.081 4.542 4.460 0.001 0.000 0.277 98 C C 2.680 177.664 174.990 -0.010 0.000 1.280 98 C CA 1.119 60.130 59.018 -0.012 0.000 1.744 98 C CB -1.286 26.452 27.740 -0.002 0.000 1.989 98 C HN 0.466 nan 8.230 nan 0.000 0.491 99 A N -0.313 122.504 122.820 -0.004 0.000 1.969 99 A HA 0.026 4.347 4.320 0.001 0.000 0.218 99 A C 1.903 179.476 177.584 -0.019 0.000 1.169 99 A CA 1.335 53.371 52.037 -0.001 0.000 0.635 99 A CB -0.481 18.524 19.000 0.007 0.000 0.810 99 A HN 0.543 nan 8.150 nan 0.000 0.445 100 L N -0.711 120.495 121.223 -0.028 0.000 2.240 100 L HA -0.017 4.323 4.340 0.001 0.000 0.211 100 L C 2.295 179.079 176.870 -0.143 0.000 1.106 100 L CA 1.758 56.558 54.840 -0.067 0.000 0.793 100 L CB -0.365 41.665 42.059 -0.049 0.000 0.927 100 L HN 0.456 nan 8.230 nan 0.000 0.446 101 E N -0.107 119.991 120.200 -0.171 0.000 2.076 101 E HA -0.121 4.230 4.350 0.001 0.000 0.190 101 E C 2.196 178.606 176.600 -0.316 0.000 0.979 101 E CA 1.108 57.332 56.400 -0.294 0.000 0.807 101 E CB -0.226 29.297 29.700 -0.296 0.000 0.761 101 E HN 0.350 nan 8.360 nan 0.000 0.454 102 L N 0.601 121.741 121.223 -0.140 0.000 2.079 102 L HA -0.202 4.138 4.340 0.001 0.000 0.210 102 L C 2.538 179.367 176.870 -0.069 0.000 1.081 102 L CA 1.851 56.666 54.840 -0.042 0.000 0.752 102 L CB -0.440 41.644 42.059 0.042 0.000 0.896 102 L HN 0.275 nan 8.230 nan 0.000 0.433 103 E N 0.327 120.479 120.200 -0.080 0.000 2.046 103 E HA -0.242 4.108 4.350 0.001 0.000 0.190 103 E C 2.325 178.859 176.600 -0.109 0.000 0.982 103 E CA 1.152 57.512 56.400 -0.068 0.000 0.800 103 E CB -0.198 29.470 29.700 -0.053 0.000 0.756 103 E HN 0.163 nan 8.360 nan 0.000 0.449 104 R N -0.352 120.048 120.500 -0.166 0.000 2.081 104 R HA -0.086 4.255 4.340 0.001 0.000 0.235 104 R C 1.992 178.153 176.300 -0.232 0.000 1.131 104 R CA 1.516 57.500 56.100 -0.193 0.000 0.960 104 R CB -0.041 30.114 30.300 -0.242 0.000 0.856 104 R HN 0.297 nan 8.270 nan 0.000 0.436 105 Q N -0.598 118.997 119.800 -0.342 0.000 2.515 105 Q HA -0.003 4.338 4.340 0.001 0.000 0.212 105 Q C 0.888 176.791 176.000 -0.162 0.000 0.970 105 Q CA 0.994 56.563 55.803 -0.391 0.000 0.941 105 Q CB 0.361 28.586 28.738 -0.855 0.000 0.998 105 Q HN 0.651 nan 8.270 nan 0.000 0.518 106 G N 0.189 108.926 108.800 -0.105 0.000 2.160 106 G HA2 -0.282 3.678 3.960 0.001 0.000 0.251 106 G HA3 -0.282 3.678 3.960 0.001 0.000 0.251 106 G C 0.882 175.793 174.900 0.018 0.000 1.008 106 G CA 0.455 45.530 45.100 -0.041 0.000 0.724 106 G HN 0.327 nan 8.290 nan 0.000 0.514 107 V N 0.259 120.209 119.914 0.062 0.000 2.453 107 V HA -0.052 4.069 4.120 0.001 0.000 0.247 107 V C 2.866 179.079 176.094 0.198 0.000 1.048 107 V CA 2.066 64.477 62.300 0.185 0.000 1.049 107 V CB -0.328 31.646 31.823 0.252 0.000 0.672 107 V HN 0.520 nan 8.190 nan 0.000 0.457 108 L N -0.412 120.875 121.223 0.107 0.000 2.056 108 L HA -0.154 4.187 4.340 0.001 0.000 0.207 108 L C 2.549 179.465 176.870 0.076 0.000 1.078 108 L CA 1.678 56.576 54.840 0.095 0.000 0.749 108 L CB -0.603 41.485 42.059 0.049 0.000 0.901 108 L HN 0.368 nan 8.230 nan 0.000 0.433 109 E N 0.432 120.653 120.200 0.034 0.000 2.031 109 E HA -0.291 4.060 4.350 0.001 0.000 0.193 109 E C 2.087 178.668 176.600 -0.030 0.000 0.994 109 E CA 1.415 57.816 56.400 0.001 0.000 0.800 109 E CB 0.027 29.715 29.700 -0.019 0.000 0.752 109 E HN 0.418 nan 8.360 nan 0.000 0.447 110 E N -0.471 119.692 120.200 -0.061 0.000 2.136 110 E HA -0.221 4.130 4.350 0.001 0.000 0.202 110 E C 0.981 177.318 176.600 -0.440 0.000 1.019 110 E CA 1.467 57.708 56.400 -0.264 0.000 0.819 110 E CB -0.106 29.422 29.700 -0.286 0.000 0.739 110 E HN 0.238 nan 8.360 nan 0.000 0.458 111 F N -0.577 119.381 119.950 0.015 0.000 2.647 111 F HA 0.345 4.873 4.527 0.001 0.000 0.300 111 F C 1.000 176.808 175.800 0.012 0.000 1.106 111 F CA 0.211 58.219 58.000 0.014 0.000 1.313 111 F CB 1.190 40.199 39.000 0.014 0.000 1.007 111 F HN 0.125 nan 8.300 nan 0.000 0.536 112 G N 1.715 110.578 108.800 0.105 0.000 2.371 112 G HA2 -0.250 3.711 3.960 0.001 0.000 0.299 112 G HA3 -0.250 3.711 3.960 0.001 0.000 0.299 112 G C -0.237 174.716 174.900 0.088 0.000 1.014 112 G CA 0.066 45.210 45.100 0.072 0.000 1.097 112 G HN 0.174 nan 8.290 nan 0.000 0.512 113 V N 0.700 120.673 119.914 0.098 0.000 2.383 113 V HA 0.489 4.610 4.120 0.001 0.000 0.275 113 V C 0.903 177.027 176.094 0.049 0.000 1.036 113 V CA -0.162 62.185 62.300 0.077 0.000 0.889 113 V CB 1.623 33.496 31.823 0.084 0.000 0.985 113 V HN 0.385 nan 8.190 nan 0.000 0.459 114 T N 6.598 121.175 114.554 0.037 0.000 2.806 114 T HA 0.382 4.733 4.350 0.001 0.000 0.290 114 T C -0.009 174.701 174.700 0.016 0.000 0.966 114 T CA -0.210 61.905 62.100 0.025 0.000 1.060 114 T CB 0.785 69.666 68.868 0.021 0.000 0.927 114 T HN 0.574 nan 8.240 nan 0.000 0.485 115 M N 5.558 125.166 119.600 0.014 0.000 2.108 115 M HA 0.409 4.889 4.480 0.001 0.000 0.347 115 M C -0.393 175.911 176.300 0.006 0.000 1.326 115 M CA -0.454 54.853 55.300 0.010 0.000 1.126 115 M CB -0.143 32.464 32.600 0.013 0.000 1.606 115 M HN 0.603 nan 8.290 nan 0.000 0.462 116 I N 0.467 121.037 120.570 -0.000 0.000 2.863 116 I HA 0.915 5.085 4.170 0.001 0.000 0.311 116 I C 0.832 176.949 176.117 -0.000 0.000 1.026 116 I CA -0.244 61.053 61.300 -0.005 0.000 1.077 116 I CB 1.675 39.661 38.000 -0.023 0.000 1.262 116 I HN 0.812 nan 8.210 nan 0.000 0.461 117 G N 2.702 111.505 108.800 0.005 0.000 3.329 117 G HA2 -0.106 3.855 3.960 0.001 0.000 0.220 117 G HA3 -0.106 3.855 3.960 0.001 0.000 0.220 117 G C 0.156 175.068 174.900 0.019 0.000 1.358 117 G CA 0.381 45.490 45.100 0.014 0.000 0.856 117 G HN 1.751 nan 8.290 nan 0.000 0.551 118 A N -0.408 122.422 122.820 0.017 0.000 2.574 118 A HA 0.885 5.205 4.320 0.001 0.000 0.297 118 A C 0.022 177.618 177.584 0.020 0.000 1.062 118 A CA 0.963 53.012 52.037 0.020 0.000 0.686 118 A CB 1.113 20.126 19.000 0.021 0.000 1.285 118 A HN 1.963 nan 8.150 nan 0.000 0.403 119 T N -0.570 113.997 114.554 0.022 0.000 2.899 119 T HA 0.552 4.903 4.350 0.001 0.000 0.284 119 T C 1.393 176.111 174.700 0.029 0.000 1.004 119 T CA 0.238 62.351 62.100 0.022 0.000 1.043 119 T CB 1.382 70.261 68.868 0.020 0.000 1.013 119 T HN 1.765 nan 8.240 nan 0.000 0.518 120 A N 1.300 124.136 122.820 0.027 0.000 1.948 120 A HA -0.131 4.190 4.320 0.001 0.000 0.220 120 A C 1.997 179.611 177.584 0.051 0.000 1.177 120 A CA 2.282 54.341 52.037 0.037 0.000 0.636 120 A CB -1.342 17.670 19.000 0.019 0.000 0.815 120 A HN 1.043 nan 8.150 nan 0.000 0.449 121 D N -0.601 119.821 120.400 0.037 0.000 2.144 121 D HA 0.011 4.652 4.640 0.001 0.000 0.200 121 D C 1.998 178.328 176.300 0.050 0.000 0.978 121 D CA 1.513 55.538 54.000 0.042 0.000 0.833 121 D CB -0.184 40.632 40.800 0.027 0.000 0.961 121 D HN 0.348 nan 8.370 nan 0.000 0.470 122 A N 0.073 122.918 122.820 0.041 0.000 1.898 122 A HA -0.078 4.243 4.320 0.001 0.000 0.216 122 A C 2.360 179.970 177.584 0.044 0.000 1.181 122 A CA 1.082 53.143 52.037 0.040 0.000 0.620 122 A CB -0.783 18.236 19.000 0.032 0.000 0.819 122 A HN 0.367 nan 8.150 nan 0.000 0.442 123 I N -0.240 120.358 120.570 0.047 0.000 2.208 123 I HA -0.268 3.902 4.170 0.001 0.000 0.245 123 I C 2.245 178.395 176.117 0.056 0.000 1.097 123 I CA 1.995 63.319 61.300 0.040 0.000 1.363 123 I CB -0.343 37.699 38.000 0.069 0.000 1.051 123 I HN 0.425 nan 8.210 nan 0.000 0.413 124 D N 0.767 121.254 120.400 0.144 0.000 2.149 124 D HA -0.215 4.425 4.640 0.001 0.000 0.201 124 D C 2.185 178.565 176.300 0.133 0.000 0.972 124 D CA 1.127 55.270 54.000 0.238 0.000 0.835 124 D CB 0.030 40.964 40.800 0.223 0.000 0.966 124 D HN 0.053 nan 8.370 nan 0.000 0.476 125 K N -0.702 119.755 120.400 0.094 0.000 2.280 125 K HA -0.041 4.279 4.320 0.001 0.000 0.202 125 K C 1.683 178.366 176.600 0.139 0.000 1.047 125 K CA 1.028 57.370 56.287 0.092 0.000 0.942 125 K CB 0.019 32.556 32.500 0.062 0.000 0.739 125 K HN 0.187 nan 8.250 nan 0.000 0.457 126 A N 0.419 123.291 122.820 0.086 0.000 1.924 126 A HA 0.014 4.334 4.320 0.001 0.000 0.211 126 A C 1.679 179.174 177.584 -0.149 0.000 1.198 126 A CA 0.473 52.559 52.037 0.083 0.000 0.657 126 A CB -0.037 18.968 19.000 0.007 0.000 0.852 126 A HN 0.156 nan 8.150 nan 0.000 0.454 127 E N 0.799 120.794 120.200 -0.341 0.000 2.152 127 E HA -0.087 4.264 4.350 0.001 0.000 0.192 127 E C -0.056 176.221 176.600 -0.538 0.000 0.983 127 E CA 0.383 56.314 56.400 -0.782 0.000 0.818 127 E CB -0.228 28.348 29.700 -1.874 0.000 0.758 127 E HN 0.526 nan 8.360 nan 0.000 0.467 128 D N 1.364 121.694 120.400 -0.117 0.000 2.359 128 D HA -0.001 4.640 4.640 0.001 0.000 0.250 128 D C 0.913 177.270 176.300 0.095 0.000 1.264 128 D CA -0.065 54.020 54.000 0.141 0.000 0.911 128 D CB 0.419 41.362 40.800 0.239 0.000 1.056 128 D HN -0.068 nan 8.370 nan 0.000 0.499 129 R N 3.113 123.651 120.500 0.063 0.000 2.159 129 R HA -0.151 4.190 4.340 0.001 0.000 0.237 129 R C 2.049 178.420 176.300 0.119 0.000 1.131 129 R CA 0.602 56.746 56.100 0.073 0.000 0.982 129 R CB -0.022 30.288 30.300 0.017 0.000 0.868 129 R HN 0.478 nan 8.270 nan 0.000 0.453 130 R N 1.286 121.848 120.500 0.103 0.000 2.057 130 R HA -0.059 4.282 4.340 0.001 0.000 0.229 130 R C 2.227 178.577 176.300 0.083 0.000 1.136 130 R CA 1.137 57.288 56.100 0.086 0.000 0.952 130 R CB -0.009 30.346 30.300 0.093 0.000 0.848 130 R HN 0.131 nan 8.270 nan 0.000 0.430 131 R N -0.502 120.056 120.500 0.097 0.000 2.091 131 R HA -0.174 4.166 4.340 0.001 0.000 0.238 131 R C 2.229 178.557 176.300 0.047 0.000 1.136 131 R CA 1.720 57.861 56.100 0.069 0.000 0.959 131 R CB -0.515 29.836 30.300 0.085 0.000 0.856 131 R HN 0.227 nan 8.270 nan 0.000 0.437 132 F N 1.925 121.863 119.950 -0.019 0.000 2.095 132 F HA -0.259 4.269 4.527 0.001 0.000 0.298 132 F C 1.937 177.716 175.800 -0.035 0.000 1.104 132 F CA 2.078 60.054 58.000 -0.039 0.000 1.232 132 F CB -0.381 38.582 39.000 -0.063 0.000 0.987 132 F HN -0.018 nan 8.300 nan 0.000 0.475 133 D N -0.533 119.902 120.400 0.059 0.000 2.123 133 D HA -0.188 4.453 4.640 0.001 0.000 0.196 133 D C 2.259 178.491 176.300 -0.112 0.000 0.992 133 D CA 1.635 55.624 54.000 -0.017 0.000 0.833 133 D CB -0.151 40.677 40.800 0.047 0.000 0.954 133 D HN 0.166 nan 8.370 nan 0.000 0.455 134 V N 0.716 120.580 119.914 -0.082 0.000 2.255 134 V HA -0.284 3.837 4.120 0.001 0.000 0.247 134 V C 2.527 178.539 176.094 -0.136 0.000 1.051 134 V CA 1.914 64.165 62.300 -0.081 0.000 1.018 134 V CB -0.998 30.800 31.823 -0.042 0.000 0.641 134 V HN 0.350 nan 8.190 nan 0.000 0.445 135 A N -0.469 122.227 122.820 -0.207 0.000 1.917 135 A HA -0.271 4.049 4.320 0.001 0.000 0.219 135 A C 2.224 179.641 177.584 -0.279 0.000 1.182 135 A CA 2.333 54.222 52.037 -0.247 0.000 0.633 135 A CB -0.507 18.285 19.000 -0.346 0.000 0.819 135 A HN 0.431 nan 8.150 nan 0.000 0.448 136 M N -0.477 118.892 119.600 -0.386 0.000 2.086 136 M HA -0.132 4.348 4.480 0.001 0.000 0.261 136 M C 2.093 178.308 176.300 -0.142 0.000 1.067 136 M CA 1.973 57.103 55.300 -0.284 0.000 1.116 136 M CB -1.270 31.165 32.600 -0.274 0.000 1.348 136 M HN 0.542 nan 8.290 nan 0.000 0.407 137 K N 0.400 120.730 120.400 -0.116 0.000 2.103 137 K HA -0.201 4.120 4.320 0.001 0.000 0.207 137 K C 2.160 178.725 176.600 -0.058 0.000 1.048 137 K CA 1.397 57.644 56.287 -0.066 0.000 0.930 137 K CB -0.025 32.444 32.500 -0.052 0.000 0.716 137 K HN 0.207 nan 8.250 nan 0.000 0.444 138 K N 1.144 121.500 120.400 -0.074 0.000 2.026 138 K HA -0.138 4.182 4.320 0.001 0.000 0.208 138 K C 1.985 178.555 176.600 -0.049 0.000 1.048 138 K CA 1.808 58.060 56.287 -0.058 0.000 0.929 138 K CB -0.210 32.251 32.500 -0.065 0.000 0.713 138 K HN 0.382 nan 8.250 nan 0.000 0.439 139 I N -2.711 117.822 120.570 -0.063 0.000 3.564 139 I HA 0.196 4.367 4.170 0.001 0.000 0.294 139 I C 0.722 176.823 176.117 -0.028 0.000 1.289 139 I CA 0.648 61.921 61.300 -0.044 0.000 1.325 139 I CB -0.286 37.687 38.000 -0.046 0.000 1.039 139 I HN 0.312 nan 8.210 nan 0.000 0.474 140 G N 2.181 110.964 108.800 -0.029 0.000 2.176 140 G HA2 -0.235 3.726 3.960 0.001 0.000 0.252 140 G HA3 -0.235 3.726 3.960 0.001 0.000 0.252 140 G C -0.061 174.839 174.900 0.001 0.000 1.024 140 G CA 0.222 45.315 45.100 -0.013 0.000 0.755 140 G HN 0.451 nan 8.290 nan 0.000 0.507 141 L N -0.365 120.855 121.223 -0.005 0.000 2.399 141 L HA 0.631 4.971 4.340 0.001 0.000 0.265 141 L C 0.730 177.619 176.870 0.031 0.000 1.089 141 L CA -0.816 54.041 54.840 0.028 0.000 0.802 141 L CB 1.439 43.526 42.059 0.046 0.000 1.180 141 L HN 0.346 nan 8.230 nan 0.000 0.454 142 E N 0.861 121.103 120.200 0.069 0.000 2.204 142 E HA 0.419 4.769 4.350 0.001 0.000 0.276 142 E C -1.060 175.585 176.600 0.075 0.000 0.974 142 E CA -0.527 55.912 56.400 0.066 0.000 0.815 142 E CB 1.680 31.429 29.700 0.080 0.000 1.119 142 E HN 0.658 nan 8.360 nan 0.000 0.393 143 T N 0.229 114.811 114.554 0.046 0.000 2.916 143 T HA 0.736 5.087 4.350 0.001 0.000 0.292 143 T C -0.089 174.614 174.700 0.006 0.000 1.064 143 T CA -0.711 61.413 62.100 0.039 0.000 1.011 143 T CB 1.509 70.404 68.868 0.046 0.000 1.152 143 T HN 0.527 nan 8.240 nan 0.000 0.510 144 A N 1.566 124.370 122.820 -0.027 0.000 2.346 144 A HA 0.521 4.841 4.320 0.001 0.000 0.252 144 A C 0.678 178.233 177.584 -0.049 0.000 1.089 144 A CA -0.637 51.357 52.037 -0.072 0.000 0.797 144 A CB -0.016 18.910 19.000 -0.123 0.000 1.047 144 A HN 0.946 nan 8.150 nan 0.000 0.494 145 R N 0.507 120.971 120.500 -0.060 0.000 2.458 145 R HA 0.230 4.571 4.340 0.001 0.000 0.303 145 R C -0.177 176.093 176.300 -0.049 0.000 1.013 145 R CA 0.941 57.013 56.100 -0.048 0.000 1.026 145 R CB -0.046 30.221 30.300 -0.055 0.000 0.948 145 R HN 0.919 nan 8.270 nan 0.000 0.417 146 S N 1.768 117.447 115.700 -0.034 0.000 2.685 146 S HA 0.830 5.300 4.470 0.001 0.000 0.282 146 S C -0.494 174.091 174.600 -0.025 0.000 1.159 146 S CA -0.796 57.386 58.200 -0.029 0.000 0.833 146 S CB 2.222 65.412 63.200 -0.017 0.000 1.151 146 S HN 0.617 nan 8.310 nan 0.000 0.485 147 G N 0.152 108.939 108.800 -0.022 0.000 2.731 147 G HA2 0.583 4.544 3.960 0.001 0.000 0.298 147 G HA3 0.583 4.544 3.960 0.001 0.000 0.298 147 G C -1.081 173.799 174.900 -0.033 0.000 1.424 147 G CA -0.734 44.352 45.100 -0.023 0.000 1.029 147 G HN 0.626 nan 8.290 nan 0.000 0.518 148 I N 0.976 121.516 120.570 -0.051 0.000 2.581 148 I HA 0.581 4.751 4.170 0.001 0.000 0.288 148 I C 0.583 176.582 176.117 -0.196 0.000 1.047 148 I CA -0.382 60.845 61.300 -0.122 0.000 1.374 148 I CB 1.541 39.473 38.000 -0.113 0.000 1.423 148 I HN 0.614 nan 8.210 nan 0.000 0.549 149 A N 4.605 127.234 122.820 -0.319 0.000 2.455 149 A HA 0.620 4.940 4.320 0.001 0.000 0.300 149 A C -0.648 176.669 177.584 -0.445 0.000 1.040 149 A CA -0.443 51.427 52.037 -0.277 0.000 0.697 149 A CB 0.848 19.796 19.000 -0.087 0.000 1.265 149 A HN 0.868 nan 8.150 nan 0.000 0.407 150 H N 0.297 119.380 119.070 0.023 0.000 3.170 150 H HA 0.279 4.836 4.556 0.001 0.000 0.264 150 H C 0.562 175.899 175.328 0.014 0.000 1.113 150 H CA 0.872 56.930 56.048 0.016 0.000 1.194 150 H CB 1.199 30.970 29.762 0.014 0.000 1.553 150 H HN 0.791 nan 8.280 nan 0.000 0.538 151 T N -3.437 111.179 114.554 0.103 0.000 2.816 151 T HA 0.185 4.535 4.350 0.001 0.000 0.299 151 T C 0.812 175.543 174.700 0.051 0.000 1.230 151 T CA -0.928 61.216 62.100 0.073 0.000 1.007 151 T CB 1.794 70.709 68.868 0.078 0.000 1.289 151 T HN -0.043 nan 8.240 nan 0.000 0.508 152 M N 1.007 120.637 119.600 0.049 0.000 2.117 152 M HA 0.038 4.518 4.480 0.001 0.000 0.262 152 M C 2.161 178.519 176.300 0.097 0.000 1.065 152 M CA 2.308 57.644 55.300 0.060 0.000 1.114 152 M CB -0.932 31.701 32.600 0.056 0.000 1.361 152 M HN 0.921 nan 8.290 nan 0.000 0.408 153 E N -0.294 119.952 120.200 0.077 0.000 2.051 153 E HA -0.252 4.099 4.350 0.001 0.000 0.192 153 E C 1.884 178.529 176.600 0.074 0.000 0.991 153 E CA 1.836 58.280 56.400 0.073 0.000 0.799 153 E CB -0.395 29.338 29.700 0.055 0.000 0.748 153 E HN 0.685 nan 8.360 nan 0.000 0.449 154 E N 0.170 120.410 120.200 0.067 0.000 2.058 154 E HA -0.254 4.097 4.350 0.001 0.000 0.194 154 E C 2.112 178.752 176.600 0.068 0.000 0.997 154 E CA 1.080 57.513 56.400 0.055 0.000 0.801 154 E CB -0.234 29.495 29.700 0.048 0.000 0.746 154 E HN 0.460 nan 8.360 nan 0.000 0.450 155 A N 1.128 124.008 122.820 0.100 0.000 1.865 155 A HA -0.202 4.119 4.320 0.001 0.000 0.217 155 A C 2.200 179.971 177.584 0.311 0.000 1.191 155 A CA 1.325 53.482 52.037 0.201 0.000 0.623 155 A CB -0.834 18.256 19.000 0.149 0.000 0.826 155 A HN 0.179 nan 8.150 nan 0.000 0.444 156 L N -0.716 120.677 121.223 0.284 0.000 2.187 156 L HA -0.234 4.107 4.340 0.001 0.000 0.213 156 L C 2.966 179.822 176.870 -0.023 0.000 1.100 156 L CA 1.014 55.945 54.840 0.152 0.000 0.765 156 L CB -0.445 41.704 42.059 0.150 0.000 0.904 156 L HN 0.459 nan 8.230 nan 0.000 0.437 157 A N -0.650 122.175 122.820 0.010 0.000 1.929 157 A HA -0.091 4.230 4.320 0.001 0.000 0.216 157 A C 2.314 179.858 177.584 -0.067 0.000 1.176 157 A CA 1.427 53.446 52.037 -0.031 0.000 0.628 157 A CB -0.601 18.397 19.000 -0.003 0.000 0.816 157 A HN 0.175 nan 8.150 nan 0.000 0.444 158 V N -0.049 119.840 119.914 -0.041 0.000 2.358 158 V HA -0.208 3.912 4.120 0.001 0.000 0.246 158 V C 3.047 179.043 176.094 -0.163 0.000 1.047 158 V CA 1.762 64.025 62.300 -0.062 0.000 1.035 158 V CB -1.264 30.558 31.823 -0.002 0.000 0.658 158 V HN 0.589 nan 8.190 nan 0.000 0.452 159 A N 0.327 122.988 122.820 -0.265 0.000 1.908 159 A HA -0.183 4.137 4.320 0.001 0.000 0.218 159 A C 2.434 179.676 177.584 -0.570 0.000 1.181 159 A CA 2.259 53.932 52.037 -0.607 0.000 0.627 159 A CB -0.871 17.419 19.000 -1.184 0.000 0.818 159 A HN 0.591 nan 8.150 nan 0.000 0.445 160 A N -0.389 122.197 122.820 -0.390 0.000 1.978 160 A HA -0.192 4.128 4.320 0.001 0.000 0.220 160 A C 1.830 179.276 177.584 -0.231 0.000 1.170 160 A CA 2.249 54.111 52.037 -0.291 0.000 0.636 160 A CB -0.571 18.325 19.000 -0.174 0.000 0.810 160 A HN 0.592 nan 8.150 nan 0.000 0.448 161 D N -0.591 119.690 120.400 -0.198 0.000 2.162 161 D HA -0.094 4.546 4.640 0.001 0.000 0.205 161 D C 1.808 178.015 176.300 -0.155 0.000 0.964 161 D CA 1.807 55.721 54.000 -0.144 0.000 0.847 161 D CB -0.013 40.726 40.800 -0.101 0.000 0.988 161 D HN 0.368 nan 8.370 nan 0.000 0.480 162 V N -2.973 116.823 119.914 -0.196 0.000 3.354 162 V HA 0.465 4.586 4.120 0.001 0.000 0.258 162 V C 1.168 177.130 176.094 -0.219 0.000 1.159 162 V CA 0.503 62.697 62.300 -0.176 0.000 1.125 162 V CB -0.693 31.045 31.823 -0.141 0.000 0.774 162 V HN 0.328 nan 8.190 nan 0.000 0.464 163 G N 0.114 108.705 108.800 -0.348 0.000 2.814 163 G HA2 -0.184 3.777 3.960 0.001 0.000 0.677 163 G HA3 -0.184 3.777 3.960 0.001 0.000 0.677 163 G C -0.761 173.895 174.900 -0.407 0.000 1.429 163 G CA -0.165 44.711 45.100 -0.373 0.000 0.868 163 G HN 0.510 nan 8.290 nan 0.000 0.553 164 F N 1.385 121.283 119.950 -0.087 0.000 2.425 164 F HA 0.590 5.118 4.527 0.001 0.000 0.331 164 F C -0.914 174.865 175.800 -0.035 0.000 1.085 164 F CA -1.564 56.391 58.000 -0.076 0.000 1.028 164 F CB 1.843 40.816 39.000 -0.043 0.000 1.177 164 F HN 0.471 nan 8.300 nan 0.000 0.487 165 P HA 0.285 nan 4.420 nan 0.000 0.274 165 P C -1.212 176.101 177.300 0.021 0.000 1.237 165 P CA -0.484 62.638 63.100 0.037 0.000 0.793 165 P CB 0.869 32.400 31.700 -0.281 0.000 0.977 166 C N 0.060 119.388 119.300 0.046 0.000 2.898 166 C HA 0.770 5.230 4.460 0.001 0.000 0.304 166 C C -0.637 174.364 174.990 0.018 0.000 1.237 166 C CA -0.942 58.088 59.018 0.020 0.000 1.529 166 C CB 0.187 27.934 27.740 0.011 0.000 2.021 166 C HN 0.381 nan 8.230 nan 0.000 0.474 167 I N 2.173 122.740 120.570 -0.005 0.000 2.412 167 I HA 0.559 4.730 4.170 0.001 0.000 0.296 167 I C -0.048 176.080 176.117 0.019 0.000 0.987 167 I CA -0.758 60.535 61.300 -0.012 0.000 1.180 167 I CB 1.393 39.367 38.000 -0.042 0.000 1.340 167 I HN 0.600 nan 8.210 nan 0.000 0.455 168 I N 6.472 127.049 120.570 0.012 0.000 2.362 168 I HA 0.499 4.670 4.170 0.001 0.000 0.289 168 I C -0.162 175.941 176.117 -0.023 0.000 0.994 168 I CA -0.424 60.873 61.300 -0.004 0.000 1.158 168 I CB 0.742 38.717 38.000 -0.043 0.000 1.315 168 I HN 0.371 nan 8.210 nan 0.000 0.451 169 R N 6.716 127.200 120.500 -0.027 0.000 2.483 169 R HA 0.440 4.781 4.340 0.001 0.000 0.303 169 R C -2.744 173.538 176.300 -0.030 0.000 0.987 169 R CA -1.797 54.285 56.100 -0.030 0.000 0.881 169 R CB 1.864 32.140 30.300 -0.040 0.000 1.177 169 R HN 0.224 nan 8.270 nan 0.000 0.451 170 P HA 0.102 nan 4.420 nan 0.000 0.274 170 P C -0.442 176.863 177.300 0.009 0.000 1.231 170 P CA -0.222 62.876 63.100 -0.005 0.000 0.790 170 P CB 0.889 32.591 31.700 0.003 0.000 0.951 171 S N 1.107 116.842 115.700 0.060 0.000 2.584 171 S HA 0.371 4.841 4.470 0.001 0.000 0.273 171 S C -0.072 174.656 174.600 0.212 0.000 1.311 171 S CA -0.124 58.139 58.200 0.105 0.000 1.034 171 S CB -0.657 62.672 63.200 0.215 0.000 0.939 171 S HN 0.428 nan 8.310 nan 0.000 0.513 172 F N 0.159 120.093 119.950 -0.026 0.000 3.074 172 F HA -0.223 4.304 4.527 0.001 0.000 0.289 172 F C 0.861 176.641 175.800 -0.034 0.000 0.863 172 F CA 0.927 58.910 58.000 -0.029 0.000 1.121 172 F CB -2.090 36.895 39.000 -0.024 0.000 1.169 172 F HN 0.658 nan 8.300 nan 0.000 0.570 173 T N -1.821 112.740 114.554 0.012 0.000 2.883 173 T HA 0.870 5.220 4.350 0.001 0.000 0.296 173 T C -0.296 174.382 174.700 -0.037 0.000 1.117 173 T CA -0.239 61.862 62.100 0.001 0.000 1.006 173 T CB 2.881 71.752 68.868 0.005 0.000 1.191 173 T HN 0.483 nan 8.240 nan 0.000 0.508 174 M N -0.178 119.410 119.600 -0.021 0.000 2.779 174 M HA 0.855 5.335 4.480 0.001 0.000 0.277 174 M C 0.834 177.130 176.300 -0.006 0.000 1.284 174 M CA 0.350 55.653 55.300 0.004 0.000 0.801 174 M CB 0.485 33.092 32.600 0.012 0.000 1.712 174 M HN 1.599 nan 8.290 nan 0.000 0.453 175 G N -0.696 108.113 108.800 0.014 0.000 2.166 175 G HA2 0.159 4.120 3.960 0.001 0.000 0.260 175 G HA3 0.159 4.120 3.960 0.001 0.000 0.260 175 G C 1.185 175.851 174.900 -0.390 0.000 0.986 175 G CA 0.938 45.873 45.100 -0.276 0.000 0.683 175 G HN 2.581 nan 8.290 nan 0.000 0.527 176 G N -1.566 107.184 108.800 -0.084 0.000 2.153 176 G HA2 -0.089 3.871 3.960 0.001 0.000 0.252 176 G HA3 -0.089 3.871 3.960 0.001 0.000 0.252 176 G C 0.551 175.418 174.900 -0.056 0.000 0.994 176 G CA 0.871 45.968 45.100 -0.006 0.000 0.698 176 G HN 1.792 nan 8.290 nan 0.000 0.521 177 S N -0.010 115.645 115.700 -0.075 0.000 2.544 177 S HA 0.419 4.890 4.470 0.001 0.000 0.290 177 S C 1.702 176.269 174.600 -0.055 0.000 1.276 177 S CA 1.265 59.419 58.200 -0.077 0.000 1.075 177 S CB 0.899 64.058 63.200 -0.068 0.000 0.849 177 S HN 2.105 nan 8.310 nan 0.000 0.494 178 G N 2.354 111.116 108.800 -0.064 0.000 2.184 178 G HA2 -0.184 3.776 3.960 0.001 0.000 0.264 178 G HA3 -0.184 3.776 3.960 0.001 0.000 0.264 178 G C 0.344 175.212 174.900 -0.054 0.000 0.975 178 G CA 0.082 45.148 45.100 -0.056 0.000 0.642 178 G HN 1.103 nan 8.290 nan 0.000 0.536 179 G N -1.609 107.165 108.800 -0.045 0.000 3.016 179 G HA2 1.038 4.998 3.960 0.001 0.000 0.270 179 G HA3 1.038 4.998 3.960 0.001 0.000 0.270 179 G C 0.259 175.143 174.900 -0.025 0.000 1.352 179 G CA 0.306 45.385 45.100 -0.035 0.000 1.060 179 G HN 1.755 nan 8.290 nan 0.000 0.538 180 G N -1.782 107.010 108.800 -0.014 0.000 2.327 180 G HA2 0.382 4.343 3.960 0.001 0.000 0.291 180 G HA3 0.382 4.343 3.960 0.001 0.000 0.291 180 G C -1.796 173.093 174.900 -0.017 0.000 1.290 180 G CA -0.817 44.282 45.100 -0.001 0.000 0.857 180 G HN 0.705 nan 8.290 nan 0.000 0.520 181 I N 1.297 121.844 120.570 -0.038 0.000 2.389 181 I HA 0.592 4.762 4.170 0.001 0.000 0.288 181 I C 0.566 176.568 176.117 -0.191 0.000 0.999 181 I CA -0.802 60.408 61.300 -0.149 0.000 1.129 181 I CB 1.919 39.757 38.000 -0.270 0.000 1.288 181 I HN 0.756 nan 8.210 nan 0.000 0.444 182 A N 5.636 128.395 122.820 -0.102 0.000 2.276 182 A HA 0.423 4.744 4.320 0.001 0.000 0.300 182 A C -0.382 177.069 177.584 -0.222 0.000 1.235 182 A CA -0.105 51.926 52.037 -0.010 0.000 0.867 182 A CB 0.019 19.259 19.000 0.400 0.000 1.137 182 A HN 0.749 nan 8.150 nan 0.000 0.527 183 Y N 1.601 121.817 120.300 -0.140 0.000 2.478 183 Y HA 0.111 4.662 4.550 0.002 0.000 0.261 183 Y C 0.827 176.372 175.900 -0.591 0.000 1.127 183 Y CA 0.713 58.686 58.100 -0.212 0.000 1.288 183 Y CB 0.258 38.651 38.460 -0.113 0.000 1.084 183 Y HN 0.923 nan 8.280 nan 0.000 0.530 184 N N -2.662 115.585 118.700 -0.755 0.000 3.020 184 N HA 0.185 4.925 4.740 0.001 0.000 0.248 184 N C 0.252 175.265 175.510 -0.828 0.000 1.480 184 N CA -0.993 51.445 53.050 -1.020 0.000 0.874 184 N CB 0.580 38.850 38.487 -0.361 0.000 1.433 184 N HN -0.217 nan 8.380 nan 0.000 0.530 185 R N -0.157 120.100 120.500 -0.405 0.000 2.096 185 R HA -0.144 4.196 4.340 0.001 0.000 0.235 185 R C 1.337 177.706 176.300 0.115 0.000 1.127 185 R CA 1.820 57.956 56.100 0.059 0.000 0.968 185 R CB -0.158 30.230 30.300 0.147 0.000 0.861 185 R HN 0.827 nan 8.270 nan 0.000 0.440 186 E N 0.502 120.712 120.200 0.015 0.000 2.017 186 E HA -0.234 4.117 4.350 0.001 0.000 0.193 186 E C 1.710 178.338 176.600 0.046 0.000 0.997 186 E CA 1.619 58.040 56.400 0.035 0.000 0.804 186 E CB 0.010 29.713 29.700 0.006 0.000 0.757 186 E HN 0.403 nan 8.360 nan 0.000 0.448 187 E N -0.215 119.995 120.200 0.015 0.000 2.058 187 E HA -0.214 4.136 4.350 0.001 0.000 0.194 187 E C 1.895 178.538 176.600 0.071 0.000 0.997 187 E CA 1.336 57.753 56.400 0.029 0.000 0.801 187 E CB -0.300 29.413 29.700 0.021 0.000 0.746 187 E HN 0.299 nan 8.360 nan 0.000 0.450 188 F N 1.893 121.817 119.950 -0.044 0.000 2.043 188 F HA -0.294 4.233 4.527 0.001 0.000 0.297 188 F C 2.239 178.069 175.800 0.050 0.000 1.118 188 F CA 1.893 59.924 58.000 0.051 0.000 1.202 188 F CB 0.018 39.128 39.000 0.183 0.000 0.965 188 F HN -0.020 nan 8.300 nan 0.000 0.482 189 E N -0.276 119.989 120.200 0.108 0.000 2.153 189 E HA -0.272 4.078 4.350 0.001 0.000 0.194 189 E C 2.207 178.752 176.600 -0.092 0.000 0.988 189 E CA 1.224 57.611 56.400 -0.022 0.000 0.811 189 E CB -0.272 29.486 29.700 0.096 0.000 0.746 189 E HN 0.575 nan 8.360 nan 0.000 0.466 190 E N 0.661 120.830 120.200 -0.051 0.000 2.031 190 E HA -0.208 4.143 4.350 0.001 0.000 0.193 190 E C 2.104 178.646 176.600 -0.097 0.000 0.994 190 E CA 1.018 57.386 56.400 -0.054 0.000 0.800 190 E CB -0.023 29.662 29.700 -0.026 0.000 0.752 190 E HN 0.247 nan 8.360 nan 0.000 0.447 191 I N 0.531 121.025 120.570 -0.128 0.000 2.202 191 I HA -0.315 3.856 4.170 0.001 0.000 0.242 191 I C 2.719 178.719 176.117 -0.196 0.000 1.091 191 I CA 0.707 61.920 61.300 -0.144 0.000 1.368 191 I CB -0.349 37.577 38.000 -0.123 0.000 1.058 191 I HN 0.290 nan 8.210 nan 0.000 0.410 192 C N 0.933 120.035 119.300 -0.329 0.000 2.429 192 C HA -0.135 4.325 4.460 0.001 0.000 0.277 192 C C 3.224 178.111 174.990 -0.171 0.000 1.262 192 C CA 0.887 59.715 59.018 -0.316 0.000 1.733 192 C CB -1.287 26.143 27.740 -0.516 0.000 2.010 192 C HN 0.601 nan 8.230 nan 0.000 0.483 193 A N 0.593 123.331 122.820 -0.137 0.000 1.902 193 A HA -0.230 4.090 4.320 0.001 0.000 0.217 193 A C 2.248 179.793 177.584 -0.064 0.000 1.181 193 A CA 1.944 53.939 52.037 -0.070 0.000 0.623 193 A CB -0.619 18.357 19.000 -0.041 0.000 0.818 193 A HN 0.667 nan 8.150 nan 0.000 0.443 194 R N -0.616 119.833 120.500 -0.085 0.000 2.066 194 R HA -0.069 4.272 4.340 0.001 0.000 0.232 194 R C 2.244 178.505 176.300 -0.065 0.000 1.131 194 R CA 1.637 57.688 56.100 -0.081 0.000 0.955 194 R CB -0.740 29.507 30.300 -0.088 0.000 0.851 194 R HN 0.416 nan 8.270 nan 0.000 0.432 195 G N 0.897 109.652 108.800 -0.075 0.000 2.422 195 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 195 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 195 G C 1.442 176.320 174.900 -0.037 0.000 1.146 195 G CA 0.630 45.694 45.100 -0.060 0.000 0.769 195 G HN 0.249 nan 8.290 nan 0.000 0.547 196 L N 0.054 121.253 121.223 -0.040 0.000 2.093 196 L HA -0.023 4.318 4.340 0.001 0.000 0.208 196 L C 2.458 179.332 176.870 0.008 0.000 1.085 196 L CA 1.359 56.193 54.840 -0.010 0.000 0.755 196 L CB -0.202 41.853 42.059 -0.007 0.000 0.904 196 L HN 0.167 nan 8.230 nan 0.000 0.435 197 D N -0.517 119.883 120.400 0.000 0.000 2.234 197 D HA -0.153 4.488 4.640 0.001 0.000 0.205 197 D C 1.964 178.271 176.300 0.011 0.000 0.962 197 D CA 0.538 54.546 54.000 0.013 0.000 0.855 197 D CB 0.297 41.105 40.800 0.014 0.000 0.951 197 D HN 0.077 nan 8.370 nan 0.000 0.500 198 L N -0.109 121.113 121.223 -0.001 0.000 2.162 198 L HA 0.185 4.526 4.340 0.001 0.000 0.205 198 L C 0.758 177.637 176.870 0.016 0.000 1.086 198 L CA 0.547 55.388 54.840 0.001 0.000 0.778 198 L CB -0.534 41.516 42.059 -0.016 0.000 0.928 198 L HN -0.139 nan 8.230 nan 0.000 0.446 199 S N 0.559 116.272 115.700 0.022 0.000 2.546 199 S HA 0.051 4.522 4.470 0.001 0.000 0.290 199 S C -1.441 173.180 174.600 0.036 0.000 1.262 199 S CA -0.875 57.355 58.200 0.049 0.000 1.083 199 S CB 0.380 63.615 63.200 0.058 0.000 0.859 199 S HN 0.164 nan 8.310 nan 0.000 0.495 200 P HA -0.013 nan 4.420 nan 0.000 0.225 200 P C 0.992 178.231 177.300 -0.102 0.000 1.148 200 P CA 1.000 64.071 63.100 -0.047 0.000 0.779 200 P CB -0.146 31.494 31.700 -0.101 0.000 0.780 201 T N -5.409 109.116 114.554 -0.048 0.000 3.129 201 T HA 0.208 4.559 4.350 0.001 0.000 0.267 201 T C 0.720 175.444 174.700 0.040 0.000 1.018 201 T CA -0.546 61.525 62.100 -0.049 0.000 0.903 201 T CB -0.530 68.306 68.868 -0.053 0.000 1.067 201 T HN -0.104 nan 8.240 nan 0.000 0.549 202 K N 1.037 121.466 120.400 0.049 0.000 3.148 202 K HA -0.192 4.129 4.320 0.001 0.000 0.267 202 K C -0.497 176.193 176.600 0.151 0.000 0.996 202 K CA 0.758 57.091 56.287 0.077 0.000 0.737 202 K CB -1.107 31.429 32.500 0.060 0.000 1.308 202 K HN 0.876 nan 8.250 nan 0.000 0.470 203 E N 0.612 120.885 120.200 0.122 0.000 2.314 203 E HA 0.518 4.869 4.350 0.001 0.000 0.272 203 E C -1.087 175.521 176.600 0.012 0.000 0.884 203 E CA -0.863 55.597 56.400 0.100 0.000 0.753 203 E CB 1.272 31.080 29.700 0.181 0.000 1.213 203 E HN 0.222 nan 8.360 nan 0.000 0.432 204 L N 3.662 124.844 121.223 -0.069 0.000 2.381 204 L HA 0.569 4.909 4.340 0.001 0.000 0.268 204 L C -0.974 175.854 176.870 -0.071 0.000 0.997 204 L CA -1.194 53.608 54.840 -0.062 0.000 0.818 204 L CB 1.871 43.885 42.059 -0.074 0.000 1.310 204 L HN 0.508 nan 8.230 nan 0.000 0.416 205 L N 3.316 124.515 121.223 -0.040 0.000 2.333 205 L HA 0.637 4.977 4.340 0.001 0.000 0.280 205 L C -1.102 175.760 176.870 -0.012 0.000 1.004 205 L CA 0.041 54.864 54.840 -0.028 0.000 0.820 205 L CB 1.498 43.548 42.059 -0.015 0.000 1.247 205 L HN 0.398 nan 8.230 nan 0.000 0.416 206 I N 4.310 124.882 120.570 0.003 0.000 2.378 206 I HA 0.450 4.621 4.170 0.001 0.000 0.291 206 I C -0.906 175.212 176.117 0.002 0.000 0.992 206 I CA -0.127 61.194 61.300 0.035 0.000 1.154 206 I CB 1.638 39.705 38.000 0.111 0.000 1.315 206 I HN 0.611 nan 8.210 nan 0.000 0.448 207 D N 4.137 124.530 120.400 -0.012 0.000 2.433 207 D HA 0.330 4.971 4.640 0.001 0.000 0.236 207 D C -0.649 175.613 176.300 -0.063 0.000 1.026 207 D CA -0.789 53.184 54.000 -0.044 0.000 0.884 207 D CB 1.128 41.895 40.800 -0.055 0.000 1.384 207 D HN 0.557 nan 8.370 nan 0.000 0.477 208 E N -0.210 119.937 120.200 -0.088 0.000 2.404 208 E HA 0.178 4.529 4.350 0.001 0.000 0.261 208 E C -0.307 176.215 176.600 -0.131 0.000 1.074 208 E CA -0.585 55.752 56.400 -0.106 0.000 0.917 208 E CB 0.822 30.455 29.700 -0.112 0.000 0.965 208 E HN 0.181 nan 8.360 nan 0.000 0.433 209 S N 2.186 117.812 115.700 -0.122 0.000 2.533 209 S HA 0.090 4.560 4.470 0.001 0.000 0.282 209 S C 0.369 174.823 174.600 -0.243 0.000 1.304 209 S CA -0.526 57.591 58.200 -0.139 0.000 1.063 209 S CB -0.041 63.111 63.200 -0.079 0.000 0.881 209 S HN 0.559 nan 8.310 nan 0.000 0.493 210 L N 5.678 126.714 121.223 -0.311 0.000 3.168 210 L HA 0.387 4.727 4.340 0.001 0.000 0.277 210 L C -0.023 176.686 176.870 -0.268 0.000 1.245 210 L CA -0.307 54.169 54.840 -0.606 0.000 1.035 210 L CB 0.034 41.647 42.059 -0.744 0.000 1.399 210 L HN 0.623 nan 8.230 nan 0.000 0.580 211 I N 1.275 121.783 120.570 -0.102 0.000 2.826 211 I HA -0.068 4.103 4.170 0.001 0.000 0.295 211 I C 1.534 177.712 176.117 0.103 0.000 1.213 211 I CA 1.443 62.752 61.300 0.014 0.000 1.436 211 I CB 0.295 38.314 38.000 0.032 0.000 1.348 211 I HN 0.494 nan 8.210 nan 0.000 0.570 212 G N 4.466 113.345 108.800 0.132 0.000 2.241 212 G HA2 -0.234 3.726 3.960 0.001 0.000 0.244 212 G HA3 -0.234 3.726 3.960 0.001 0.000 0.244 212 G C -0.096 174.986 174.900 0.303 0.000 0.998 212 G CA -0.555 44.642 45.100 0.161 0.000 0.621 212 G HN 0.526 nan 8.290 nan 0.000 0.519 213 W N 1.872 123.201 121.300 0.047 0.000 2.093 213 W HA 0.610 5.270 4.660 0.001 0.000 0.352 213 W C 1.110 177.675 176.519 0.077 0.000 1.294 213 W CA -0.471 56.921 57.345 0.079 0.000 1.290 213 W CB 0.422 29.932 29.460 0.084 0.000 1.149 213 W HN 0.000 nan 8.180 nan 0.000 0.606 214 K N 1.572 122.122 120.400 0.250 0.000 2.326 214 K HA 0.088 4.409 4.320 0.001 0.000 0.275 214 K C -0.332 176.361 176.600 0.154 0.000 1.018 214 K CA -0.224 56.153 56.287 0.150 0.000 0.962 214 K CB 0.788 33.391 32.500 0.172 0.000 0.953 214 K HN 0.387 nan 8.250 nan 0.000 0.475 215 E N 2.578 122.755 120.200 -0.039 0.000 2.158 215 E HA 0.250 4.601 4.350 0.001 0.000 0.271 215 E C -1.562 174.914 176.600 -0.206 0.000 0.911 215 E CA -0.541 55.862 56.400 0.005 0.000 0.767 215 E CB 0.725 30.435 29.700 0.017 0.000 1.120 215 E HN 0.348 nan 8.360 nan 0.000 0.405 216 Y N 1.596 121.994 120.300 0.163 0.000 2.570 216 Y HA 0.439 4.990 4.550 0.001 0.000 0.345 216 Y C -0.340 175.675 175.900 0.192 0.000 1.014 216 Y CA -0.792 57.402 58.100 0.156 0.000 1.063 216 Y CB 2.277 40.812 38.460 0.124 0.000 1.272 216 Y HN 0.454 nan 8.280 nan 0.000 0.477 217 E N 1.979 122.380 120.200 0.336 0.000 2.356 217 E HA 0.630 4.981 4.350 0.001 0.000 0.275 217 E C -1.521 175.204 176.600 0.208 0.000 0.904 217 E CA -0.969 55.578 56.400 0.245 0.000 0.757 217 E CB 3.135 32.911 29.700 0.127 0.000 1.232 217 E HN 0.467 nan 8.360 nan 0.000 0.442 218 M N 1.529 121.242 119.600 0.188 0.000 2.393 218 M HA 0.312 4.792 4.480 0.001 0.000 0.299 218 M C -1.068 175.272 176.300 0.067 0.000 1.103 218 M CA -0.851 54.511 55.300 0.105 0.000 0.910 218 M CB 2.377 35.026 32.600 0.081 0.000 1.659 218 M HN 0.322 nan 8.290 nan 0.000 0.445 219 E N 2.905 123.117 120.200 0.020 0.000 2.134 219 E HA 0.521 4.872 4.350 0.001 0.000 0.278 219 E C -1.167 175.402 176.600 -0.050 0.000 0.959 219 E CA -0.308 56.087 56.400 -0.008 0.000 0.783 219 E CB 1.940 31.628 29.700 -0.021 0.000 1.095 219 E HN 0.368 nan 8.360 nan 0.000 0.399 220 V N 2.102 121.997 119.914 -0.031 0.000 2.919 220 V HA 0.583 4.704 4.120 0.001 0.000 0.316 220 V C -0.056 176.013 176.094 -0.042 0.000 1.077 220 V CA -0.956 61.318 62.300 -0.044 0.000 0.977 220 V CB 2.304 34.126 31.823 -0.002 0.000 1.039 220 V HN 0.345 nan 8.190 nan 0.000 0.441 221 V N 2.654 122.540 119.914 -0.047 0.000 2.686 221 V HA 0.644 4.764 4.120 0.001 0.000 0.306 221 V C -0.456 175.649 176.094 0.019 0.000 1.065 221 V CA -0.678 61.617 62.300 -0.008 0.000 0.894 221 V CB 1.958 33.773 31.823 -0.013 0.000 1.004 221 V HN 0.933 nan 8.190 nan 0.000 0.424 222 R N 2.687 123.210 120.500 0.040 0.000 2.686 222 R HA 0.692 5.032 4.340 0.001 0.000 0.283 222 R C -1.529 174.806 176.300 0.057 0.000 0.978 222 R CA -0.458 55.669 56.100 0.044 0.000 0.897 222 R CB 1.980 32.301 30.300 0.036 0.000 1.192 222 R HN 0.936 nan 8.270 nan 0.000 0.457 223 D N 1.848 122.284 120.400 0.061 0.000 2.414 223 D HA 0.142 4.783 4.640 0.001 0.000 0.241 223 D C 0.282 176.614 176.300 0.053 0.000 1.008 223 D CA -0.892 53.149 54.000 0.068 0.000 1.001 223 D CB 1.176 42.027 40.800 0.086 0.000 1.277 223 D HN 0.613 nan 8.370 nan 0.000 0.538 224 K N -0.279 120.152 120.400 0.051 0.000 2.280 224 K HA -0.104 4.216 4.320 0.001 0.000 0.202 224 K C 0.459 177.080 176.600 0.035 0.000 1.047 224 K CA 0.926 57.235 56.287 0.037 0.000 0.942 224 K CB -0.358 32.160 32.500 0.031 0.000 0.739 224 K HN 0.107 nan 8.250 nan 0.000 0.457 225 N N 1.229 119.954 118.700 0.042 0.000 2.383 225 N HA -0.049 4.691 4.740 0.001 0.000 0.192 225 N C -0.560 174.972 175.510 0.036 0.000 1.141 225 N CA 0.657 53.729 53.050 0.038 0.000 0.851 225 N CB 0.128 38.641 38.487 0.043 0.000 0.976 225 N HN 0.316 nan 8.380 nan 0.000 0.465 226 D N -0.603 119.819 120.400 0.037 0.000 3.090 226 D HA -0.164 4.476 4.640 0.001 0.000 0.215 226 D C -0.962 175.360 176.300 0.037 0.000 1.140 226 D CA 0.477 54.497 54.000 0.033 0.000 0.937 226 D CB -1.421 39.394 40.800 0.026 0.000 1.108 226 D HN 0.196 nan 8.370 nan 0.000 0.420 227 N N 0.369 119.097 118.700 0.047 0.000 2.514 227 N HA 0.373 5.114 4.740 0.001 0.000 0.277 227 N C -0.315 175.224 175.510 0.049 0.000 1.126 227 N CA 0.046 53.127 53.050 0.052 0.000 0.978 227 N CB 1.509 40.036 38.487 0.067 0.000 1.106 227 N HN 0.286 nan 8.380 nan 0.000 0.461 228 C N 3.416 122.740 119.300 0.040 0.000 2.686 228 C HA 0.743 5.204 4.460 0.001 0.000 0.318 228 C C -0.705 174.292 174.990 0.011 0.000 1.160 228 C CA -0.678 58.356 59.018 0.026 0.000 1.396 228 C CB -0.292 27.460 27.740 0.021 0.000 1.924 228 C HN 0.763 nan 8.230 nan 0.000 0.471 229 I N 2.967 123.527 120.570 -0.018 0.000 2.969 229 I HA 0.676 4.847 4.170 0.001 0.000 0.307 229 I C -1.228 174.827 176.117 -0.104 0.000 1.149 229 I CA -0.922 60.343 61.300 -0.058 0.000 1.008 229 I CB 1.691 39.632 38.000 -0.098 0.000 1.232 229 I HN 0.239 nan 8.210 nan 0.000 0.435 230 I N 4.042 124.547 120.570 -0.108 0.000 2.297 230 I HA 0.193 4.364 4.170 0.001 0.000 0.291 230 I C 0.985 176.978 176.117 -0.205 0.000 1.033 230 I CA -0.434 60.800 61.300 -0.110 0.000 1.253 230 I CB 1.225 39.202 38.000 -0.037 0.000 1.396 230 I HN 0.553 nan 8.210 nan 0.000 0.476 231 V N 5.157 124.900 119.914 -0.284 0.000 2.535 231 V HA -0.023 4.098 4.120 0.001 0.000 0.246 231 V C 0.717 176.676 176.094 -0.225 0.000 1.045 231 V CA 1.042 63.077 62.300 -0.442 0.000 1.058 231 V CB 0.419 31.859 31.823 -0.639 0.000 0.689 231 V HN 0.867 nan 8.190 nan 0.000 0.461 232 C N -0.331 118.903 119.300 -0.110 0.000 3.241 232 C HA 0.600 5.061 4.460 0.001 0.000 0.348 232 C C -0.256 174.755 174.990 0.036 0.000 1.180 232 C CA -0.463 58.542 59.018 -0.020 0.000 1.273 232 C CB 1.316 29.053 27.740 -0.005 0.000 1.620 232 C HN 0.480 nan 8.230 nan 0.000 0.510 233 S N 3.894 119.650 115.700 0.093 0.000 2.537 233 S HA 0.906 5.377 4.470 0.001 0.000 0.301 233 S C -1.070 173.623 174.600 0.156 0.000 1.092 233 S CA -0.569 57.715 58.200 0.141 0.000 1.048 233 S CB 1.252 64.600 63.200 0.246 0.000 1.053 233 S HN 0.712 nan 8.310 nan 0.000 0.501 234 I N 1.257 121.943 120.570 0.194 0.000 2.534 234 I HA 0.410 4.581 4.170 0.001 0.000 0.288 234 I C -0.668 175.568 176.117 0.199 0.000 1.077 234 I CA -0.414 60.989 61.300 0.172 0.000 1.051 234 I CB 2.230 40.302 38.000 0.120 0.000 1.234 234 I HN 0.837 nan 8.210 nan 0.000 0.425 235 E N 6.553 126.840 120.200 0.145 0.000 2.158 235 E HA 0.349 4.700 4.350 0.001 0.000 0.271 235 E C -0.942 175.643 176.600 -0.025 0.000 0.911 235 E CA -0.605 55.764 56.400 -0.052 0.000 0.767 235 E CB 1.205 30.973 29.700 0.113 0.000 1.120 235 E HN 0.546 nan 8.360 nan 0.000 0.405 236 N N 4.160 122.770 118.700 -0.149 0.000 2.520 236 N HA 0.063 4.804 4.740 0.001 0.000 0.273 236 N C 0.127 175.602 175.510 -0.059 0.000 1.155 236 N CA -0.142 52.879 53.050 -0.049 0.000 0.967 236 N CB 0.657 39.114 38.487 -0.051 0.000 1.092 236 N HN 0.547 nan 8.380 nan 0.000 0.457 237 F N 2.205 121.981 119.950 -0.291 0.000 2.098 237 F HA -0.008 4.519 4.527 0.001 0.000 0.294 237 F C 0.597 176.235 175.800 -0.272 0.000 1.107 237 F CA 0.896 58.538 58.000 -0.598 0.000 1.234 237 F CB 0.217 38.890 39.000 -0.544 0.000 1.002 237 F HN 0.388 nan 8.300 nan 0.000 0.472 238 D N 1.803 122.248 120.400 0.075 0.000 2.351 238 D HA 0.277 4.918 4.640 0.001 0.000 0.251 238 D C 0.422 176.715 176.300 -0.011 0.000 1.137 238 D CA 0.396 54.410 54.000 0.023 0.000 0.879 238 D CB 1.327 42.216 40.800 0.148 0.000 1.181 238 D HN 0.343 nan 8.370 nan 0.000 0.448 239 A N 3.237 126.041 122.820 -0.026 0.000 2.281 239 A HA 0.141 4.462 4.320 0.001 0.000 0.271 239 A C 0.737 178.349 177.584 0.046 0.000 1.196 239 A CA -0.382 51.665 52.037 0.016 0.000 0.807 239 A CB 0.192 19.204 19.000 0.021 0.000 1.138 239 A HN 0.513 nan 8.150 nan 0.000 0.506 240 M N 0.117 119.767 119.600 0.085 0.000 2.252 240 M HA 0.287 4.768 4.480 0.001 0.000 0.348 240 M C 1.311 177.644 176.300 0.054 0.000 1.334 240 M CA 1.737 57.082 55.300 0.076 0.000 1.071 240 M CB -0.284 32.388 32.600 0.121 0.000 1.763 240 M HN 1.356 nan 8.290 nan 0.000 0.452 241 G N 3.840 112.664 108.800 0.039 0.000 2.480 241 G HA2 -0.108 3.853 3.960 0.001 0.000 0.193 241 G HA3 -0.108 3.853 3.960 0.001 0.000 0.193 241 G C 0.014 174.958 174.900 0.074 0.000 1.004 241 G CA -0.658 44.470 45.100 0.047 0.000 0.696 241 G HN 0.554 nan 8.290 nan 0.000 0.478 242 I N 2.582 123.201 120.570 0.082 0.000 2.362 242 I HA 0.345 4.516 4.170 0.001 0.000 0.289 242 I C 0.610 176.808 176.117 0.135 0.000 0.994 242 I CA -1.060 60.315 61.300 0.125 0.000 1.158 242 I CB 1.355 39.431 38.000 0.128 0.000 1.315 242 I HN 0.124 nan 8.210 nan 0.000 0.451 243 H N 4.941 124.061 119.070 0.084 0.000 3.038 243 H HA -0.072 4.484 4.556 0.001 0.000 0.338 243 H C 1.161 176.532 175.328 0.071 0.000 1.041 243 H CA 1.249 57.336 56.048 0.066 0.000 1.394 243 H CB 1.281 31.082 29.762 0.064 0.000 1.357 243 H HN 0.870 nan 8.280 nan 0.000 0.600 244 T N 0.734 115.177 114.554 -0.185 0.000 2.699 244 T HA -0.167 4.184 4.350 0.001 0.000 0.268 244 T C 2.111 176.906 174.700 0.159 0.000 1.036 244 T CA 1.244 63.331 62.100 -0.021 0.000 1.147 244 T CB -0.715 68.089 68.868 -0.107 0.000 0.862 244 T HN 0.638 nan 8.240 nan 0.000 0.446 245 G N 0.672 109.725 108.800 0.421 0.000 2.484 245 G HA2 -0.028 3.933 3.960 0.001 0.000 0.218 245 G HA3 -0.028 3.933 3.960 0.001 0.000 0.218 245 G C 1.027 176.018 174.900 0.151 0.000 1.130 245 G CA 0.601 45.849 45.100 0.248 0.000 0.784 245 G HN 0.494 nan 8.290 nan 0.000 0.543 246 D N -0.318 120.228 120.400 0.244 0.000 2.363 246 D HA 0.237 4.878 4.640 0.001 0.000 0.214 246 D C 0.610 177.108 176.300 0.329 0.000 1.093 246 D CA 0.028 54.212 54.000 0.307 0.000 0.837 246 D CB 0.672 41.724 40.800 0.420 0.000 0.948 246 D HN 0.068 nan 8.370 nan 0.000 0.507 247 S N -0.180 115.647 115.700 0.212 0.000 2.651 247 S HA 0.474 4.944 4.470 0.001 0.000 0.291 247 S C 0.313 174.980 174.600 0.112 0.000 1.141 247 S CA -0.649 57.656 58.200 0.175 0.000 1.027 247 S CB 1.695 64.971 63.200 0.126 0.000 1.043 247 S HN 0.038 nan 8.310 nan 0.000 0.530 248 I N 2.792 123.420 120.570 0.097 0.000 2.416 248 I HA 0.235 4.406 4.170 0.001 0.000 0.288 248 I C 0.618 176.752 176.117 0.029 0.000 1.051 248 I CA 0.005 61.287 61.300 -0.030 0.000 1.375 248 I CB 0.881 38.694 38.000 -0.311 0.000 1.407 248 I HN 0.645 nan 8.210 nan 0.000 0.516 249 T N 4.076 118.639 114.554 0.015 0.000 2.907 249 T HA 0.775 5.126 4.350 0.001 0.000 0.292 249 T C -0.525 174.217 174.700 0.069 0.000 1.043 249 T CA -0.740 61.389 62.100 0.049 0.000 1.003 249 T CB 1.993 70.891 68.868 0.050 0.000 1.084 249 T HN 0.421 nan 8.240 nan 0.000 0.483 250 V N -1.218 118.771 119.914 0.125 0.000 2.925 250 V HA 1.003 5.124 4.120 0.001 0.000 0.311 250 V C -0.640 175.546 176.094 0.153 0.000 1.104 250 V CA -1.152 61.247 62.300 0.165 0.000 0.954 250 V CB 1.258 33.260 31.823 0.297 0.000 1.022 250 V HN 1.538 nan 8.190 nan 0.000 0.427 251 A N 5.227 128.123 122.820 0.127 0.000 2.355 251 A HA 1.054 5.375 4.320 0.001 0.000 0.317 251 A C -2.820 174.813 177.584 0.082 0.000 1.094 251 A CA -1.746 50.353 52.037 0.103 0.000 0.764 251 A CB 1.880 20.928 19.000 0.080 0.000 1.230 251 A HN 0.804 nan 8.150 nan 0.000 0.448 252 P HA 0.530 nan 4.420 nan 0.000 0.321 252 P C -0.067 177.294 177.300 0.102 0.000 1.304 252 P CA -0.379 62.761 63.100 0.068 0.000 0.759 252 P CB 0.757 32.462 31.700 0.007 0.000 1.385 253 A N 0.327 123.243 122.820 0.160 0.000 2.498 253 A HA 0.092 4.412 4.320 0.001 0.000 0.239 253 A C 1.141 178.737 177.584 0.019 0.000 1.068 253 A CA 0.223 52.388 52.037 0.214 0.000 0.766 253 A CB -0.302 18.909 19.000 0.352 0.000 1.003 253 A HN 0.415 nan 8.150 nan 0.000 0.497 254 Q N 0.683 120.433 119.800 -0.084 0.000 2.462 254 Q HA -0.002 4.339 4.340 0.001 0.000 0.224 254 Q C 1.653 177.350 176.000 -0.505 0.000 0.911 254 Q CA 1.887 57.414 55.803 -0.460 0.000 0.925 254 Q CB -0.336 27.819 28.738 -0.972 0.000 1.063 254 Q HN 0.986 nan 8.270 nan 0.000 0.572 255 T N -1.800 112.576 114.554 -0.297 0.000 3.186 255 T HA 0.408 4.759 4.350 0.001 0.000 0.257 255 T C 0.609 175.257 174.700 -0.087 0.000 1.029 255 T CA -0.134 61.828 62.100 -0.229 0.000 0.916 255 T CB -0.242 68.530 68.868 -0.161 0.000 1.041 255 T HN -0.092 nan 8.240 nan 0.000 0.562 256 L N 2.998 124.178 121.223 -0.072 0.000 2.307 256 L HA 0.464 4.804 4.340 0.001 0.000 0.282 256 L C 1.011 177.829 176.870 -0.087 0.000 1.051 256 L CA -0.985 53.801 54.840 -0.090 0.000 0.804 256 L CB 1.592 43.580 42.059 -0.119 0.000 1.197 256 L HN 0.320 nan 8.230 nan 0.000 0.431 257 T N -2.386 112.118 114.554 -0.082 0.000 2.813 257 T HA 0.006 4.357 4.350 0.001 0.000 0.297 257 T C 0.759 175.427 174.700 -0.053 0.000 1.036 257 T CA -0.492 61.562 62.100 -0.076 0.000 1.044 257 T CB 1.193 70.021 68.868 -0.067 0.000 0.993 257 T HN 0.671 nan 8.240 nan 0.000 0.535 258 D N 0.196 120.557 120.400 -0.064 0.000 2.123 258 D HA -0.119 4.521 4.640 0.001 0.000 0.196 258 D C 2.012 178.312 176.300 0.001 0.000 0.992 258 D CA 1.465 55.437 54.000 -0.046 0.000 0.833 258 D CB -0.071 40.689 40.800 -0.068 0.000 0.954 258 D HN 0.650 nan 8.370 nan 0.000 0.455 259 K N -0.108 120.277 120.400 -0.025 0.000 2.063 259 K HA -0.158 4.163 4.320 0.001 0.000 0.208 259 K C 2.162 178.735 176.600 -0.044 0.000 1.048 259 K CA 1.429 57.698 56.287 -0.030 0.000 0.928 259 K CB -0.063 32.414 32.500 -0.038 0.000 0.713 259 K HN 0.320 nan 8.250 nan 0.000 0.442 260 E N -0.439 119.725 120.200 -0.061 0.000 2.107 260 E HA -0.195 4.155 4.350 0.001 0.000 0.191 260 E C 1.800 178.305 176.600 -0.159 0.000 0.982 260 E CA 0.880 57.210 56.400 -0.117 0.000 0.809 260 E CB -0.129 29.486 29.700 -0.142 0.000 0.756 260 E HN 0.313 nan 8.360 nan 0.000 0.459 261 Y N 1.951 122.121 120.300 -0.216 0.000 2.181 261 Y HA -0.242 4.308 4.550 0.001 0.000 0.288 261 Y C 2.266 178.048 175.900 -0.196 0.000 1.146 261 Y CA 1.478 59.439 58.100 -0.231 0.000 1.164 261 Y CB 0.163 38.513 38.460 -0.183 0.000 0.982 261 Y HN -0.056 nan 8.280 nan 0.000 0.515 262 Q N 0.292 120.108 119.800 0.026 0.000 2.124 262 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 262 Q C 2.451 178.381 176.000 -0.118 0.000 0.977 262 Q CA 1.842 57.634 55.803 -0.019 0.000 0.850 262 Q CB -0.522 28.226 28.738 0.016 0.000 0.901 262 Q HN 0.615 nan 8.270 nan 0.000 0.429 263 I N 0.245 120.730 120.570 -0.142 0.000 2.226 263 I HA -0.284 3.887 4.170 0.001 0.000 0.245 263 I C 2.519 178.489 176.117 -0.245 0.000 1.100 263 I CA 1.089 62.297 61.300 -0.154 0.000 1.374 263 I CB -0.243 37.672 38.000 -0.141 0.000 1.057 263 I HN 0.211 nan 8.210 nan 0.000 0.413 264 M N 0.329 119.681 119.600 -0.413 0.000 2.132 264 M HA -0.234 4.246 4.480 0.001 0.000 0.263 264 M C 2.515 178.488 176.300 -0.545 0.000 1.065 264 M CA 1.666 56.550 55.300 -0.693 0.000 1.122 264 M CB -0.131 31.918 32.600 -0.918 0.000 1.365 264 M HN 0.064 nan 8.290 nan 0.000 0.411 265 R N 0.128 120.356 120.500 -0.452 0.000 2.073 265 R HA -0.146 4.194 4.340 0.001 0.000 0.234 265 R C 1.656 177.874 176.300 -0.136 0.000 1.134 265 R CA 2.348 58.273 56.100 -0.292 0.000 0.952 265 R CB -0.389 29.787 30.300 -0.207 0.000 0.850 265 R HN 0.554 nan 8.270 nan 0.000 0.433 266 N N -0.187 118.446 118.700 -0.112 0.000 2.120 266 N HA -0.165 4.576 4.740 0.001 0.000 0.188 266 N C 1.808 177.308 175.510 -0.016 0.000 1.024 266 N CA 1.050 54.071 53.050 -0.050 0.000 0.852 266 N CB -0.153 38.307 38.487 -0.045 0.000 1.003 266 N HN 0.293 nan 8.380 nan 0.000 0.424 267 A N 0.870 123.680 122.820 -0.017 0.000 1.902 267 A HA -0.129 4.192 4.320 0.001 0.000 0.217 267 A C 2.313 180.014 177.584 0.194 0.000 1.181 267 A CA 1.543 53.638 52.037 0.096 0.000 0.623 267 A CB -0.584 18.518 19.000 0.169 0.000 0.818 267 A HN 0.217 nan 8.150 nan 0.000 0.443 268 S N -0.119 115.707 115.700 0.210 0.000 2.383 268 S HA -0.169 4.302 4.470 0.001 0.000 0.229 268 S C 1.970 176.637 174.600 0.111 0.000 1.030 268 S CA 1.769 60.119 58.200 0.250 0.000 1.002 268 S CB -0.414 62.901 63.200 0.192 0.000 0.829 268 S HN 0.587 nan 8.310 nan 0.000 0.467 269 M N 1.066 120.701 119.600 0.058 0.000 2.200 269 M HA -0.007 4.474 4.480 0.001 0.000 0.265 269 M C 2.580 178.900 176.300 0.034 0.000 1.066 269 M CA 1.281 56.602 55.300 0.034 0.000 1.127 269 M CB -0.637 31.973 32.600 0.016 0.000 1.379 269 M HN 0.405 nan 8.290 nan 0.000 0.420 270 A N -0.100 122.741 122.820 0.036 0.000 1.969 270 A HA -0.072 4.249 4.320 0.001 0.000 0.218 270 A C 2.263 179.858 177.584 0.019 0.000 1.169 270 A CA 1.283 53.334 52.037 0.023 0.000 0.635 270 A CB -0.831 18.182 19.000 0.022 0.000 0.810 270 A HN 0.287 nan 8.150 nan 0.000 0.445 271 V N -0.506 119.433 119.914 0.043 0.000 2.307 271 V HA -0.213 3.907 4.120 0.001 0.000 0.245 271 V C 2.492 178.610 176.094 0.039 0.000 1.045 271 V CA 1.944 64.266 62.300 0.036 0.000 1.024 271 V CB -0.610 31.262 31.823 0.082 0.000 0.651 271 V HN 0.514 nan 8.190 nan 0.000 0.449 272 L N -0.609 120.643 121.223 0.047 0.000 2.141 272 L HA -0.108 4.232 4.340 0.001 0.000 0.209 272 L C 2.517 179.403 176.870 0.027 0.000 1.094 272 L CA 1.786 56.651 54.840 0.041 0.000 0.763 272 L CB -0.634 41.448 42.059 0.038 0.000 0.908 272 L HN 0.182 nan 8.230 nan 0.000 0.437 273 R N -0.878 119.634 120.500 0.020 0.000 2.075 273 R HA -0.173 4.167 4.340 0.001 0.000 0.232 273 R C 2.229 178.531 176.300 0.003 0.000 1.126 273 R CA 1.198 57.305 56.100 0.012 0.000 0.963 273 R CB -0.099 30.207 30.300 0.010 0.000 0.858 273 R HN 0.244 nan 8.270 nan 0.000 0.435 274 E N 0.609 120.804 120.200 -0.008 0.000 2.072 274 E HA -0.120 4.230 4.350 0.001 0.000 0.190 274 E C 1.491 178.078 176.600 -0.022 0.000 0.982 274 E CA 1.073 57.457 56.400 -0.028 0.000 0.803 274 E CB -0.059 29.604 29.700 -0.061 0.000 0.755 274 E HN 0.090 nan 8.360 nan 0.000 0.453 275 I N 0.124 120.693 120.570 -0.002 0.000 2.394 275 I HA 0.061 4.232 4.170 0.001 0.000 0.251 275 I C 1.640 177.771 176.117 0.023 0.000 1.136 275 I CA 1.577 62.891 61.300 0.023 0.000 1.425 275 I CB -0.316 37.728 38.000 0.073 0.000 1.079 275 I HN 0.399 nan 8.210 nan 0.000 0.425 276 G N -0.083 108.729 108.800 0.020 0.000 2.145 276 G HA2 -0.160 3.800 3.960 0.001 0.000 0.176 276 G HA3 -0.160 3.800 3.960 0.001 0.000 0.176 276 G C 0.066 174.980 174.900 0.024 0.000 1.013 276 G CA -0.064 45.048 45.100 0.020 0.000 0.689 276 G HN 0.119 nan 8.290 nan 0.000 0.506 277 V N 0.507 120.438 119.914 0.028 0.000 2.353 277 V HA 0.409 4.530 4.120 0.001 0.000 0.264 277 V C 1.020 177.132 176.094 0.029 0.000 1.049 277 V CA 0.399 62.716 62.300 0.029 0.000 0.896 277 V CB 1.237 33.080 31.823 0.032 0.000 1.025 277 V HN 0.488 nan 8.190 nan 0.000 0.475 278 E N 2.211 122.428 120.200 0.029 0.000 2.511 278 E HA 0.083 4.434 4.350 0.001 0.000 0.209 278 E C 0.552 177.174 176.600 0.037 0.000 0.986 278 E CA 0.364 56.782 56.400 0.031 0.000 0.974 278 E CB 0.905 30.621 29.700 0.026 0.000 1.030 278 E HN 0.802 nan 8.360 nan 0.000 0.490 279 T N -1.789 112.788 114.554 0.038 0.000 3.583 279 T HA 0.645 4.996 4.350 0.001 0.000 0.266 279 T C 0.022 174.751 174.700 0.049 0.000 1.296 279 T CA -0.273 61.855 62.100 0.046 0.000 1.668 279 T CB 0.838 69.729 68.868 0.039 0.000 0.832 279 T HN 0.143 nan 8.240 nan 0.000 0.649 280 G N -0.028 108.805 108.800 0.054 0.000 2.336 280 G HA2 0.588 4.548 3.960 0.001 0.000 0.286 280 G HA3 0.588 4.548 3.960 0.001 0.000 0.286 280 G C -0.565 174.367 174.900 0.053 0.000 1.269 280 G CA -0.187 44.947 45.100 0.057 0.000 0.873 280 G HN 0.780 nan 8.290 nan 0.000 0.494 281 G N -1.107 107.724 108.800 0.052 0.000 2.489 281 G HA2 0.734 4.695 3.960 0.001 0.000 0.327 281 G HA3 0.734 4.695 3.960 0.001 0.000 0.327 281 G C -0.684 174.238 174.900 0.037 0.000 1.189 281 G CA 0.237 45.362 45.100 0.041 0.000 0.962 281 G HN 1.289 nan 8.290 nan 0.000 0.486 282 S N -0.698 115.019 115.700 0.028 0.000 2.565 282 S HA 0.404 4.875 4.470 0.001 0.000 0.269 282 S C -1.094 173.518 174.600 0.021 0.000 1.153 282 S CA -0.907 57.308 58.200 0.025 0.000 0.835 282 S CB 1.942 65.156 63.200 0.023 0.000 1.122 282 S HN 0.782 nan 8.310 nan 0.000 0.462 283 N N 1.374 120.082 118.700 0.013 0.000 2.400 283 N HA 0.549 5.289 4.740 0.001 0.000 0.288 283 N C -1.605 173.896 175.510 -0.015 0.000 1.024 283 N CA -0.259 52.798 53.050 0.012 0.000 0.894 283 N CB 1.388 39.884 38.487 0.015 0.000 1.173 283 N HN 0.362 nan 8.380 nan 0.000 0.487 284 V N 3.150 123.068 119.914 0.006 0.000 2.444 284 V HA 0.344 4.465 4.120 0.001 0.000 0.294 284 V C -0.222 175.800 176.094 -0.119 0.000 1.022 284 V CA -0.770 61.484 62.300 -0.076 0.000 0.850 284 V CB 1.539 33.356 31.823 -0.010 0.000 0.992 284 V HN 0.642 nan 8.190 nan 0.000 0.426 285 Q N 3.301 122.916 119.800 -0.308 0.000 2.245 285 Q HA 0.759 5.099 4.340 0.001 0.000 0.256 285 Q C -1.536 174.194 176.000 -0.452 0.000 0.942 285 Q CA -0.301 55.379 55.803 -0.206 0.000 0.896 285 Q CB 2.464 31.110 28.738 -0.153 0.000 1.272 285 Q HN 0.666 nan 8.270 nan 0.000 0.442 286 F N -0.141 119.869 119.950 0.100 0.000 2.650 286 F HA 0.776 5.303 4.527 0.001 0.000 0.320 286 F C -0.484 175.438 175.800 0.204 0.000 1.091 286 F CA -1.117 56.966 58.000 0.139 0.000 0.962 286 F CB 1.744 40.822 39.000 0.130 0.000 1.363 286 F HN 0.503 nan 8.300 nan 0.000 0.482 287 A N 0.949 124.047 122.820 0.464 0.000 2.371 287 A HA 0.843 5.164 4.320 0.001 0.000 0.311 287 A C -1.798 176.118 177.584 0.554 0.000 1.068 287 A CA -0.702 51.623 52.037 0.481 0.000 0.744 287 A CB 1.493 20.757 19.000 0.441 0.000 1.239 287 A HN 0.515 nan 8.150 nan 0.000 0.435 288 V N 2.736 122.929 119.914 0.466 0.000 2.531 288 V HA 0.314 4.435 4.120 0.001 0.000 0.301 288 V C -0.287 175.651 176.094 -0.260 0.000 1.034 288 V CA -0.951 61.452 62.300 0.171 0.000 0.865 288 V CB 1.931 33.856 31.823 0.171 0.000 0.995 288 V HN 0.901 nan 8.190 nan 0.000 0.424 289 N N 7.351 125.560 118.700 -0.818 0.000 2.402 289 N HA 0.200 4.940 4.740 0.001 0.000 0.259 289 N C -1.328 173.854 175.510 -0.546 0.000 1.167 289 N CA -1.892 50.358 53.050 -1.333 0.000 0.949 289 N CB 1.643 39.206 38.487 -1.541 0.000 1.212 289 N HN 0.316 nan 8.380 nan 0.000 0.493 290 P HA -0.160 nan 4.420 nan 0.000 0.220 290 P C 0.575 177.795 177.300 -0.133 0.000 1.144 290 P CA 1.353 64.370 63.100 -0.138 0.000 0.800 290 P CB 0.460 32.151 31.700 -0.016 0.000 0.772 291 K N -0.450 119.846 120.400 -0.174 0.000 2.296 291 K HA -0.040 4.280 4.320 0.001 0.000 0.200 291 K C 1.070 177.606 176.600 -0.106 0.000 1.048 291 K CA 1.255 57.476 56.287 -0.109 0.000 0.966 291 K CB -0.065 32.391 32.500 -0.073 0.000 0.754 291 K HN 0.265 nan 8.250 nan 0.000 0.466 292 N N -2.575 116.037 118.700 -0.147 0.000 2.039 292 N HA 0.078 4.819 4.740 0.001 0.000 0.228 292 N C 0.570 176.013 175.510 -0.113 0.000 1.369 292 N CA 0.369 53.355 53.050 -0.106 0.000 0.806 292 N CB 0.671 39.109 38.487 -0.081 0.000 1.190 292 N HN 0.037 nan 8.380 nan 0.000 0.506 293 G N 1.057 109.767 108.800 -0.151 0.000 2.155 293 G HA2 -0.399 3.562 3.960 0.001 0.000 0.257 293 G HA3 -0.399 3.562 3.960 0.001 0.000 0.257 293 G C -0.012 174.817 174.900 -0.118 0.000 0.983 293 G CA 0.274 45.295 45.100 -0.131 0.000 0.676 293 G HN 0.664 nan 8.290 nan 0.000 0.528 294 R N -0.246 120.169 120.500 -0.140 0.000 2.504 294 R HA 0.286 4.627 4.340 0.001 0.000 0.291 294 R C 0.006 176.332 176.300 0.045 0.000 0.974 294 R CA -0.180 55.898 56.100 -0.038 0.000 1.077 294 R CB 0.037 30.332 30.300 -0.008 0.000 0.926 294 R HN 0.319 nan 8.270 nan 0.000 0.407 295 L N 6.715 128.000 121.223 0.103 0.000 2.282 295 L HA 0.486 4.827 4.340 0.001 0.000 0.288 295 L C -0.850 176.179 176.870 0.264 0.000 1.033 295 L CA -0.181 54.757 54.840 0.164 0.000 0.807 295 L CB 1.318 43.414 42.059 0.062 0.000 1.209 295 L HN 0.577 nan 8.230 nan 0.000 0.423 296 I N 5.295 126.080 120.570 0.358 0.000 2.533 296 I HA 0.364 4.534 4.170 0.001 0.000 0.290 296 I C -0.797 175.492 176.117 0.287 0.000 1.056 296 I CA -0.974 60.501 61.300 0.291 0.000 1.057 296 I CB 2.287 40.443 38.000 0.260 0.000 1.240 296 I HN 0.222 nan 8.210 nan 0.000 0.423 297 V N 6.280 126.297 119.914 0.171 0.000 2.546 297 V HA 0.237 4.358 4.120 0.001 0.000 0.284 297 V C 0.846 176.941 176.094 0.001 0.000 1.050 297 V CA -0.215 62.079 62.300 -0.010 0.000 0.981 297 V CB 1.820 33.636 31.823 -0.011 0.000 0.990 297 V HN 0.557 nan 8.190 nan 0.000 0.474 298 I N 2.477 122.974 120.570 -0.122 0.000 2.900 298 I HA 0.253 4.423 4.170 0.001 0.000 0.251 298 I C 0.886 176.871 176.117 -0.220 0.000 1.102 298 I CA 0.892 62.126 61.300 -0.110 0.000 1.457 298 I CB -0.187 37.743 38.000 -0.116 0.000 1.285 298 I HN 0.978 nan 8.210 nan 0.000 0.459 299 E N 0.840 120.818 120.200 -0.370 0.000 2.435 299 E HA 0.510 4.860 4.350 0.001 0.000 0.277 299 E C -0.912 175.344 176.600 -0.573 0.000 1.106 299 E CA -0.902 55.068 56.400 -0.716 0.000 0.868 299 E CB 1.754 31.134 29.700 -0.533 0.000 1.454 299 E HN 0.039 nan 8.360 nan 0.000 0.452 300 M N 0.731 119.934 119.600 -0.662 0.000 2.371 300 M HA 0.578 5.059 4.480 0.001 0.000 0.287 300 M C -2.157 174.000 176.300 -0.239 0.000 1.149 300 M CA -0.498 54.624 55.300 -0.297 0.000 0.929 300 M CB 2.367 34.931 32.600 -0.061 0.000 1.683 300 M HN 0.369 nan 8.290 nan 0.000 0.470 301 N N 4.476 123.097 118.700 -0.131 0.000 2.501 301 N HA 0.387 5.128 4.740 0.001 0.000 0.245 301 N C -2.556 172.930 175.510 -0.039 0.000 0.974 301 N CA -1.239 51.757 53.050 -0.091 0.000 0.941 301 N CB 1.559 40.016 38.487 -0.050 0.000 1.122 301 N HN 0.574 nan 8.380 nan 0.000 0.507 302 P HA 0.031 nan 4.420 nan 0.000 0.261 302 P C -0.324 176.980 177.300 0.006 0.000 1.650 302 P CA 0.364 63.458 63.100 -0.010 0.000 0.846 302 P CB -0.091 31.599 31.700 -0.016 0.000 1.758 303 R N -2.279 118.235 120.500 0.023 0.000 2.921 303 R HA 0.523 4.863 4.340 0.001 0.000 0.268 303 R C -0.717 175.638 176.300 0.091 0.000 1.008 303 R CA -1.047 55.083 56.100 0.050 0.000 0.876 303 R CB 0.045 30.367 30.300 0.038 0.000 1.395 303 R HN -0.173 nan 8.270 nan 0.000 0.443 304 V N -0.287 119.712 119.914 0.141 0.000 2.953 304 V HA 0.757 4.877 4.120 0.001 0.000 0.304 304 V C 0.126 176.402 176.094 0.303 0.000 1.073 304 V CA 0.197 62.610 62.300 0.187 0.000 1.064 304 V CB 1.125 33.064 31.823 0.193 0.000 1.047 304 V HN 1.017 nan 8.190 nan 0.000 0.478 305 S N 2.191 118.017 115.700 0.211 0.000 2.880 305 S HA 0.470 4.941 4.470 0.001 0.000 0.308 305 S C 0.723 175.299 174.600 -0.041 0.000 1.195 305 S CA -0.486 57.824 58.200 0.184 0.000 0.866 305 S CB 1.507 64.793 63.200 0.143 0.000 1.254 305 S HN 1.050 nan 8.310 nan 0.000 0.571 306 R N 0.317 120.789 120.500 -0.047 0.000 2.115 306 R HA 0.141 4.482 4.340 0.001 0.000 0.226 306 R C 1.605 177.893 176.300 -0.021 0.000 1.100 306 R CA 1.627 57.668 56.100 -0.098 0.000 0.980 306 R CB -0.850 29.412 30.300 -0.064 0.000 0.875 306 R HN 0.409 nan 8.270 nan 0.000 0.445 307 S N 1.075 116.789 115.700 0.024 0.000 2.414 307 S HA -0.095 4.376 4.470 0.001 0.000 0.227 307 S C 1.990 176.621 174.600 0.051 0.000 1.022 307 S CA 1.217 59.440 58.200 0.039 0.000 0.958 307 S CB 0.027 63.255 63.200 0.047 0.000 0.797 307 S HN 0.650 nan 8.310 nan 0.000 0.493 308 S N 1.934 117.671 115.700 0.063 0.000 2.406 308 S HA 0.087 4.558 4.470 0.001 0.000 0.228 308 S C 1.997 176.678 174.600 0.136 0.000 1.020 308 S CA 0.840 59.093 58.200 0.089 0.000 0.965 308 S CB -0.411 62.845 63.200 0.094 0.000 0.798 308 S HN 0.448 nan 8.310 nan 0.000 0.488 309 A N 1.860 124.755 122.820 0.125 0.000 1.898 309 A HA 0.152 4.473 4.320 0.001 0.000 0.216 309 A C 2.227 179.844 177.584 0.055 0.000 1.181 309 A CA 1.431 53.566 52.037 0.163 0.000 0.620 309 A CB -0.929 18.105 19.000 0.058 0.000 0.819 309 A HN 0.557 nan 8.150 nan 0.000 0.442 310 L N -0.052 121.189 121.223 0.030 0.000 2.017 310 L HA -0.083 4.258 4.340 0.001 0.000 0.208 310 L C 2.633 179.532 176.870 0.048 0.000 1.073 310 L CA 2.309 57.163 54.840 0.024 0.000 0.745 310 L CB -0.803 41.271 42.059 0.024 0.000 0.894 310 L HN 0.335 nan 8.230 nan 0.000 0.432 311 A N -1.320 121.542 122.820 0.070 0.000 1.908 311 A HA -0.205 4.115 4.320 0.001 0.000 0.218 311 A C 2.382 180.046 177.584 0.134 0.000 1.181 311 A CA 2.099 54.185 52.037 0.081 0.000 0.627 311 A CB -1.049 17.985 19.000 0.058 0.000 0.818 311 A HN 0.554 nan 8.150 nan 0.000 0.445 312 S N -0.313 115.501 115.700 0.191 0.000 2.368 312 S HA -0.126 4.344 4.470 0.001 0.000 0.225 312 S C 2.024 176.799 174.600 0.291 0.000 1.030 312 S CA 1.655 60.034 58.200 0.298 0.000 0.999 312 S CB -0.205 63.237 63.200 0.405 0.000 0.844 312 S HN 0.456 nan 8.310 nan 0.000 0.459 313 K N 1.914 122.418 120.400 0.174 0.000 2.097 313 K HA 0.221 4.542 4.320 0.001 0.000 0.205 313 K C 2.110 178.784 176.600 0.124 0.000 1.050 313 K CA 1.127 57.500 56.287 0.143 0.000 0.938 313 K CB -0.930 31.561 32.500 -0.015 0.000 0.718 313 K HN 0.317 nan 8.250 nan 0.000 0.442 314 A N 0.196 123.060 122.820 0.073 0.000 1.898 314 A HA -0.126 4.195 4.320 0.001 0.000 0.216 314 A C 2.140 179.833 177.584 0.181 0.000 1.181 314 A CA 2.308 54.387 52.037 0.069 0.000 0.620 314 A CB -0.743 18.298 19.000 0.068 0.000 0.819 314 A HN 0.464 nan 8.150 nan 0.000 0.442 315 T N -5.554 109.121 114.554 0.201 0.000 3.023 315 T HA 0.424 4.775 4.350 0.001 0.000 0.249 315 T C 1.411 176.295 174.700 0.306 0.000 1.050 315 T CA 1.150 63.384 62.100 0.224 0.000 1.088 315 T CB 0.328 69.303 68.868 0.177 0.000 0.946 315 T HN 1.701 nan 8.240 nan 0.000 0.480 316 G N 1.193 110.226 108.800 0.389 0.000 2.141 316 G HA2 -0.186 3.775 3.960 0.001 0.000 0.231 316 G HA3 -0.186 3.775 3.960 0.001 0.000 0.231 316 G C -0.257 174.928 174.900 0.476 0.000 0.984 316 G CA -0.104 45.282 45.100 0.478 0.000 0.660 316 G HN 0.611 nan 8.290 nan 0.000 0.525 317 F N 3.403 123.520 119.950 0.279 0.000 2.361 317 F HA 0.597 5.125 4.527 0.001 0.000 0.364 317 F C -1.914 174.030 175.800 0.240 0.000 1.120 317 F CA -3.340 54.799 58.000 0.231 0.000 1.102 317 F CB 1.613 40.675 39.000 0.104 0.000 1.183 317 F HN -0.057 nan 8.300 nan 0.000 0.476 318 P HA 0.095 nan 4.420 nan 0.000 0.249 318 P C 1.252 178.729 177.300 0.296 0.000 1.737 318 P CA 0.377 63.654 63.100 0.294 0.000 1.128 318 P CB -0.197 31.601 31.700 0.163 0.000 1.942 319 I N 1.643 122.474 120.570 0.435 0.000 2.145 319 I HA -0.362 3.808 4.170 0.001 0.000 0.244 319 I C 2.363 178.589 176.117 0.181 0.000 1.075 319 I CA 2.035 63.545 61.300 0.351 0.000 1.332 319 I CB -0.844 37.286 38.000 0.217 0.000 1.033 319 I HN 0.188 nan 8.210 nan 0.000 0.410 320 A N 0.406 123.270 122.820 0.074 0.000 1.902 320 A HA -0.239 4.082 4.320 0.001 0.000 0.217 320 A C 2.360 179.938 177.584 -0.010 0.000 1.181 320 A CA 1.837 53.871 52.037 -0.004 0.000 0.623 320 A CB -0.499 18.420 19.000 -0.134 0.000 0.818 320 A HN 0.319 nan 8.150 nan 0.000 0.443 321 K N -0.624 119.760 120.400 -0.027 0.000 2.009 321 K HA -0.095 4.225 4.320 0.001 0.000 0.210 321 K C 1.930 178.533 176.600 0.005 0.000 1.049 321 K CA 1.601 57.871 56.287 -0.027 0.000 0.929 321 K CB -0.385 32.095 32.500 -0.034 0.000 0.714 321 K HN 0.246 nan 8.250 nan 0.000 0.440 322 V N 1.052 120.991 119.914 0.043 0.000 2.287 322 V HA -0.292 3.828 4.120 0.001 0.000 0.248 322 V C 2.263 178.412 176.094 0.090 0.000 1.053 322 V CA 2.133 64.473 62.300 0.066 0.000 1.027 322 V CB -0.666 31.254 31.823 0.162 0.000 0.646 322 V HN 0.453 nan 8.190 nan 0.000 0.447 323 A N -0.313 122.571 122.820 0.106 0.000 1.978 323 A HA -0.128 4.192 4.320 0.001 0.000 0.220 323 A C 2.406 180.026 177.584 0.059 0.000 1.170 323 A CA 2.066 54.156 52.037 0.088 0.000 0.636 323 A CB -0.707 18.343 19.000 0.083 0.000 0.810 323 A HN 0.594 nan 8.150 nan 0.000 0.448 324 A N 0.045 122.888 122.820 0.037 0.000 1.865 324 A HA -0.194 4.127 4.320 0.001 0.000 0.217 324 A C 2.109 179.714 177.584 0.035 0.000 1.191 324 A CA 1.845 53.892 52.037 0.016 0.000 0.623 324 A CB -0.489 18.510 19.000 -0.002 0.000 0.826 324 A HN 0.529 nan 8.150 nan 0.000 0.444 325 K N -1.030 119.406 120.400 0.061 0.000 2.147 325 K HA -0.088 4.233 4.320 0.001 0.000 0.205 325 K C 1.656 178.409 176.600 0.255 0.000 1.049 325 K CA 1.131 57.506 56.287 0.147 0.000 0.936 325 K CB -0.279 32.201 32.500 -0.033 0.000 0.722 325 K HN 0.301 nan 8.250 nan 0.000 0.446 326 L N 0.417 121.734 121.223 0.157 0.000 2.217 326 L HA -0.026 4.314 4.340 0.001 0.000 0.211 326 L C 2.176 179.104 176.870 0.098 0.000 1.107 326 L CA 1.195 56.127 54.840 0.152 0.000 0.783 326 L CB -0.656 41.474 42.059 0.118 0.000 0.919 326 L HN 0.087 nan 8.230 nan 0.000 0.442 327 A N -0.656 122.201 122.820 0.062 0.000 2.070 327 A HA -0.073 4.248 4.320 0.001 0.000 0.220 327 A C 1.481 179.057 177.584 -0.014 0.000 1.159 327 A CA 1.454 53.500 52.037 0.016 0.000 0.656 327 A CB -0.640 18.354 19.000 -0.011 0.000 0.800 327 A HN 0.276 nan 8.150 nan 0.000 0.453 328 V N -4.537 115.377 119.914 0.000 0.000 2.894 328 V HA 0.653 4.773 4.120 0.001 0.000 0.373 328 V C 0.943 177.014 176.094 -0.038 0.000 1.286 328 V CA 0.300 62.570 62.300 -0.049 0.000 1.331 328 V CB -0.927 30.780 31.823 -0.193 0.000 1.415 328 V HN 1.261 nan 8.190 nan 0.000 0.585 329 G N 0.082 108.866 108.800 -0.027 0.000 2.358 329 G HA2 -0.313 3.648 3.960 0.001 0.000 0.224 329 G HA3 -0.313 3.648 3.960 0.001 0.000 0.224 329 G C 0.046 174.893 174.900 -0.087 0.000 1.073 329 G CA 0.154 45.203 45.100 -0.086 0.000 0.635 329 G HN 0.602 nan 8.290 nan 0.000 0.509 330 Y N 2.911 123.244 120.300 0.054 0.000 2.683 330 Y HA 0.345 4.895 4.550 0.001 0.000 0.340 330 Y C 1.633 177.563 175.900 0.051 0.000 1.245 330 Y CA 1.079 59.212 58.100 0.055 0.000 1.485 330 Y CB 0.579 39.074 38.460 0.058 0.000 1.328 330 Y HN 0.360 nan 8.280 nan 0.000 0.603 331 T N -0.176 114.527 114.554 0.249 0.000 2.940 331 T HA 0.370 4.720 4.350 0.001 0.000 0.288 331 T C 0.940 175.736 174.700 0.161 0.000 1.033 331 T CA -0.994 61.203 62.100 0.162 0.000 1.033 331 T CB 1.225 70.159 68.868 0.111 0.000 1.079 331 T HN 0.643 nan 8.240 nan 0.000 0.496 332 L N 0.998 122.303 121.223 0.138 0.000 2.013 332 L HA -0.166 4.175 4.340 0.001 0.000 0.212 332 L C 2.642 179.587 176.870 0.125 0.000 1.073 332 L CA 1.990 56.916 54.840 0.143 0.000 0.753 332 L CB -0.653 41.502 42.059 0.160 0.000 0.890 332 L HN 0.845 nan 8.230 nan 0.000 0.432 333 D N -0.440 120.026 120.400 0.110 0.000 2.263 333 D HA -0.220 4.421 4.640 0.001 0.000 0.208 333 D C 1.589 177.932 176.300 0.073 0.000 0.971 333 D CA 1.131 55.182 54.000 0.086 0.000 0.867 333 D CB -0.254 40.591 40.800 0.074 0.000 0.929 333 D HN 0.458 nan 8.370 nan 0.000 0.492 334 E N -0.375 119.884 120.200 0.098 0.000 2.385 334 E HA 0.163 4.514 4.350 0.001 0.000 0.194 334 E C 0.454 177.086 176.600 0.054 0.000 1.013 334 E CA -0.053 56.409 56.400 0.104 0.000 0.866 334 E CB 0.346 30.169 29.700 0.205 0.000 0.832 334 E HN 0.327 nan 8.360 nan 0.000 0.500 335 L N 1.018 122.256 121.223 0.025 0.000 2.399 335 L HA 0.328 4.669 4.340 0.001 0.000 0.265 335 L C 0.205 177.049 176.870 -0.043 0.000 1.089 335 L CA -0.716 54.094 54.840 -0.049 0.000 0.802 335 L CB 0.740 42.757 42.059 -0.071 0.000 1.180 335 L HN -0.041 nan 8.230 nan 0.000 0.454 336 M N 1.234 120.789 119.600 -0.075 0.000 2.478 336 M HA 0.257 4.737 4.480 0.001 0.000 0.327 336 M C -0.441 175.795 176.300 -0.106 0.000 1.187 336 M CA -0.727 54.521 55.300 -0.086 0.000 1.022 336 M CB 1.133 33.682 32.600 -0.085 0.000 1.629 336 M HN 0.416 nan 8.290 nan 0.000 0.461 337 N N 2.028 120.650 118.700 -0.131 0.000 2.405 337 N HA 0.020 4.761 4.740 0.001 0.000 0.260 337 N C 0.384 175.822 175.510 -0.121 0.000 1.152 337 N CA 0.318 53.286 53.050 -0.135 0.000 0.948 337 N CB 0.397 38.761 38.487 -0.205 0.000 1.111 337 N HN 0.390 nan 8.380 nan 0.000 0.485 338 D N 2.745 123.088 120.400 -0.095 0.000 2.242 338 D HA -0.270 4.370 4.640 0.001 0.000 0.193 338 D C 1.813 178.042 176.300 -0.119 0.000 1.005 338 D CA 1.915 55.877 54.000 -0.062 0.000 0.856 338 D CB -0.334 40.493 40.800 0.045 0.000 1.001 338 D HN 0.803 nan 8.370 nan 0.000 0.452 339 I N -0.249 120.214 120.570 -0.178 0.000 2.657 339 I HA -0.149 4.021 4.170 0.001 0.000 0.261 339 I C 0.923 176.988 176.117 -0.087 0.000 1.212 339 I CA 1.606 62.798 61.300 -0.180 0.000 1.453 339 I CB -0.500 37.341 38.000 -0.265 0.000 1.092 339 I HN -0.059 nan 8.210 nan 0.000 0.452 340 T N -1.684 112.816 114.554 -0.089 0.000 3.240 340 T HA 0.549 4.900 4.350 0.001 0.000 0.248 340 T C 1.245 175.896 174.700 -0.082 0.000 0.929 340 T CA -0.022 62.033 62.100 -0.074 0.000 0.939 340 T CB -0.115 68.667 68.868 -0.144 0.000 1.114 340 T HN 0.673 nan 8.240 nan 0.000 0.558 341 G N 0.879 109.639 108.800 -0.068 0.000 2.180 341 G HA2 -0.050 3.911 3.960 0.001 0.000 0.263 341 G HA3 -0.050 3.911 3.960 0.001 0.000 0.263 341 G C 1.125 175.984 174.900 -0.069 0.000 0.989 341 G CA 0.230 45.297 45.100 -0.055 0.000 0.692 341 G HN 1.890 nan 8.290 nan 0.000 0.526 342 G N -1.312 107.431 108.800 -0.095 0.000 2.168 342 G HA2 -0.323 3.637 3.960 0.001 0.000 0.257 342 G HA3 -0.323 3.637 3.960 0.001 0.000 0.257 342 G C 0.940 175.773 174.900 -0.113 0.000 0.997 342 G CA 1.304 46.344 45.100 -0.099 0.000 0.708 342 G HN 0.958 nan 8.290 nan 0.000 0.520 343 R N 0.063 120.481 120.500 -0.138 0.000 2.240 343 R HA 0.243 4.583 4.340 0.001 0.000 0.203 343 R C 1.714 177.876 176.300 -0.231 0.000 1.011 343 R CA 1.511 57.524 56.100 -0.144 0.000 1.007 343 R CB 0.156 30.389 30.300 -0.110 0.000 0.911 343 R HN 0.689 nan 8.270 nan 0.000 0.468 344 T N -2.553 111.808 114.554 -0.322 0.000 2.916 344 T HA 0.604 4.954 4.350 0.001 0.000 0.292 344 T C -2.850 171.668 174.700 -0.303 0.000 1.055 344 T CA -2.545 59.298 62.100 -0.427 0.000 1.009 344 T CB 2.793 71.183 68.868 -0.797 0.000 1.118 344 T HN -0.262 nan 8.240 nan 0.000 0.497 345 P HA 0.404 nan 4.420 nan 0.000 0.276 345 P C 0.391 177.716 177.300 0.043 0.000 1.261 345 P CA -0.622 62.432 63.100 -0.076 0.000 0.800 345 P CB 0.527 32.223 31.700 -0.007 0.000 1.066 346 A N 0.442 123.337 122.820 0.126 0.000 2.169 346 A HA 0.015 4.335 4.320 0.001 0.000 0.212 346 A C 1.077 178.933 177.584 0.453 0.000 1.153 346 A CA 0.589 52.779 52.037 0.254 0.000 0.756 346 A CB -1.195 17.848 19.000 0.072 0.000 0.813 346 A HN 0.556 nan 8.150 nan 0.000 0.471 347 S N 0.679 116.582 115.700 0.338 0.000 3.869 347 S HA 0.543 5.014 4.470 0.001 0.000 0.241 347 S C -0.357 174.473 174.600 0.384 0.000 1.363 347 S CA -0.544 57.830 58.200 0.289 0.000 0.894 347 S CB -1.382 61.923 63.200 0.175 0.000 1.519 347 S HN 0.799 nan 8.310 nan 0.000 0.470 348 F N -1.767 118.276 119.950 0.154 0.000 2.770 348 F HA 0.628 5.155 4.527 0.001 0.000 0.313 348 F C -1.407 174.470 175.800 0.127 0.000 1.154 348 F CA -1.261 56.811 58.000 0.120 0.000 0.923 348 F CB 0.819 39.879 39.000 0.101 0.000 1.301 348 F HN 0.128 nan 8.300 nan 0.000 0.449 349 E N 2.840 122.966 120.200 -0.124 0.000 2.134 349 E HA 0.397 4.748 4.350 0.001 0.000 0.278 349 E C -2.553 173.912 176.600 -0.225 0.000 0.959 349 E CA -1.986 54.252 56.400 -0.269 0.000 0.783 349 E CB 1.457 31.113 29.700 -0.074 0.000 1.095 349 E HN 0.300 nan 8.360 nan 0.000 0.399 350 P HA -0.013 nan 4.420 nan 0.000 0.270 350 P C -0.763 176.563 177.300 0.043 0.000 1.223 350 P CA -0.137 62.946 63.100 -0.029 0.000 0.785 350 P CB 0.762 32.447 31.700 -0.024 0.000 0.923 351 S N 1.226 116.991 115.700 0.108 0.000 2.594 351 S HA 0.699 5.170 4.470 0.001 0.000 0.296 351 S C -0.599 173.966 174.600 -0.059 0.000 1.124 351 S CA -0.802 57.405 58.200 0.012 0.000 1.011 351 S CB -0.050 63.168 63.200 0.031 0.000 1.016 351 S HN 0.372 nan 8.310 nan 0.000 0.485 352 I N 1.938 122.387 120.570 -0.202 0.000 2.530 352 I HA 0.676 4.847 4.170 0.001 0.000 0.297 352 I C -0.720 175.122 176.117 -0.459 0.000 1.011 352 I CA -0.861 60.146 61.300 -0.488 0.000 1.107 352 I CB 2.173 39.669 38.000 -0.840 0.000 1.285 352 I HN 0.530 nan 8.210 nan 0.000 0.436 353 D N 5.255 125.360 120.400 -0.490 0.000 2.895 353 D HA 0.261 4.901 4.640 0.001 0.000 0.258 353 D C -0.560 175.713 176.300 -0.045 0.000 1.311 353 D CA -0.120 53.772 54.000 -0.180 0.000 0.843 353 D CB -0.369 40.427 40.800 -0.007 0.000 1.055 353 D HN 0.755 nan 8.370 nan 0.000 0.486 354 Y N -3.541 116.763 120.300 0.006 0.000 2.871 354 Y HA 0.656 5.207 4.550 0.001 0.000 0.331 354 Y C -1.561 174.314 175.900 -0.042 0.000 1.378 354 Y CA -1.709 56.374 58.100 -0.029 0.000 1.079 354 Y CB 0.817 39.172 38.460 -0.176 0.000 1.441 354 Y HN -0.228 nan 8.280 nan 0.000 0.446 355 V N 2.099 122.169 119.914 0.260 0.000 2.487 355 V HA 0.563 4.684 4.120 0.001 0.000 0.298 355 V C -0.761 175.417 176.094 0.141 0.000 1.028 355 V CA -0.843 61.568 62.300 0.185 0.000 0.860 355 V CB 1.428 33.360 31.823 0.181 0.000 0.991 355 V HN 0.631 nan 8.190 nan 0.000 0.427 356 V N 3.961 123.954 119.914 0.133 0.000 2.394 356 V HA 0.555 4.676 4.120 0.001 0.000 0.282 356 V C 0.263 176.392 176.094 0.059 0.000 1.031 356 V CA -0.163 62.166 62.300 0.048 0.000 0.881 356 V CB 1.712 33.560 31.823 0.043 0.000 0.982 356 V HN 0.952 nan 8.190 nan 0.000 0.451 357 T N 5.131 119.701 114.554 0.028 0.000 2.863 357 T HA 0.484 4.835 4.350 0.001 0.000 0.285 357 T C -0.531 174.173 174.700 0.007 0.000 1.009 357 T CA -0.717 61.399 62.100 0.027 0.000 0.989 357 T CB 1.731 70.605 68.868 0.010 0.000 1.004 357 T HN 0.694 nan 8.240 nan 0.000 0.455 358 K N 3.515 123.913 120.400 -0.003 0.000 2.345 358 K HA 0.611 4.931 4.320 0.001 0.000 0.255 358 K C -1.503 175.072 176.600 -0.042 0.000 0.934 358 K CA -0.688 55.596 56.287 -0.004 0.000 0.801 358 K CB 1.207 33.714 32.500 0.012 0.000 1.137 358 K HN 0.600 nan 8.250 nan 0.000 0.424 359 I N 5.641 126.184 120.570 -0.046 0.000 2.498 359 I HA 0.343 4.513 4.170 0.001 0.000 0.290 359 I C -2.281 173.801 176.117 -0.057 0.000 1.032 359 I CA -2.630 58.631 61.300 -0.065 0.000 1.073 359 I CB 2.266 40.213 38.000 -0.089 0.000 1.251 359 I HN 0.489 nan 8.210 nan 0.000 0.426 360 P HA 0.247 nan 4.420 nan 0.000 0.277 360 P C -1.003 176.101 177.300 -0.327 0.000 1.240 360 P CA -0.587 62.368 63.100 -0.242 0.000 0.798 360 P CB 0.990 32.484 31.700 -0.344 0.000 0.979 361 R N 1.789 122.028 120.500 -0.435 0.000 2.445 361 R HA 0.610 4.950 4.340 0.001 0.000 0.308 361 R C -1.145 174.862 176.300 -0.489 0.000 0.961 361 R CA -0.504 55.427 56.100 -0.281 0.000 0.862 361 R CB -0.114 30.106 30.300 -0.133 0.000 1.144 361 R HN 0.290 nan 8.270 nan 0.000 0.447 362 F N 1.481 121.434 119.950 0.004 0.000 2.585 362 F HA 0.479 5.006 4.527 0.001 0.000 0.350 362 F C 0.840 176.565 175.800 -0.125 0.000 1.074 362 F CA -0.711 57.218 58.000 -0.118 0.000 1.032 362 F CB 1.709 40.627 39.000 -0.137 0.000 1.330 362 F HN 0.545 nan 8.300 nan 0.000 0.495 363 N N -0.449 118.227 118.700 -0.040 0.000 2.545 363 N HA 0.183 4.923 4.740 0.001 0.000 0.283 363 N C 0.340 175.850 175.510 0.001 0.000 1.596 363 N CA 0.013 53.061 53.050 -0.003 0.000 0.862 363 N CB 0.232 38.750 38.487 0.052 0.000 1.422 363 N HN 0.350 nan 8.380 nan 0.000 0.489 364 F N 1.588 121.628 119.950 0.151 0.000 2.154 364 F HA -0.202 4.326 4.527 0.002 0.000 0.301 364 F C 2.106 177.897 175.800 -0.015 0.000 1.087 364 F CA 1.382 59.424 58.000 0.070 0.000 1.274 364 F CB -0.286 38.726 39.000 0.021 0.000 1.009 364 F HN 0.238 nan 8.300 nan 0.000 0.485 365 E N 0.254 120.525 120.200 0.119 0.000 2.273 365 E HA -0.216 4.134 4.350 0.001 0.000 0.198 365 E C 1.562 178.080 176.600 -0.137 0.000 1.002 365 E CA 1.420 57.819 56.400 -0.001 0.000 0.828 365 E CB -0.578 29.113 29.700 -0.015 0.000 0.747 365 E HN 0.379 nan 8.360 nan 0.000 0.491 366 K N -0.192 120.019 120.400 -0.316 0.000 2.400 366 K HA 0.101 4.421 4.320 0.001 0.000 0.194 366 K C -0.317 175.639 176.600 -1.073 0.000 1.033 366 K CA 0.231 56.095 56.287 -0.706 0.000 1.021 366 K CB 0.335 32.258 32.500 -0.961 0.000 0.808 366 K HN 0.158 nan 8.250 nan 0.000 0.505 367 F N 0.090 119.980 119.950 -0.099 0.000 2.523 367 F HA 0.332 4.860 4.527 0.001 0.000 0.322 367 F C 1.134 176.911 175.800 -0.039 0.000 1.361 367 F CA -0.854 57.081 58.000 -0.109 0.000 1.151 367 F CB 0.381 39.136 39.000 -0.409 0.000 1.391 367 F HN -0.143 nan 8.300 nan 0.000 0.566 368 A N 1.347 124.208 122.820 0.067 0.000 1.906 368 A HA -0.269 4.052 4.320 0.001 0.000 0.222 368 A C 2.460 180.085 177.584 0.067 0.000 1.282 368 A CA 2.493 54.559 52.037 0.048 0.000 0.675 368 A CB -1.248 17.766 19.000 0.023 0.000 0.838 368 A HN 0.715 nan 8.150 nan 0.000 0.469 369 G N -1.256 107.600 108.800 0.093 0.000 2.848 369 G HA2 0.380 4.340 3.960 0.001 0.000 0.208 369 G HA3 0.380 4.340 3.960 0.001 0.000 0.208 369 G C 0.626 175.585 174.900 0.098 0.000 1.152 369 G CA 0.776 45.924 45.100 0.080 0.000 0.789 369 G HN 0.948 nan 8.290 nan 0.000 0.531 370 A N 0.471 123.374 122.820 0.138 0.000 2.386 370 A HA 0.378 4.698 4.320 0.001 0.000 0.248 370 A C 0.524 178.157 177.584 0.081 0.000 1.082 370 A CA -0.504 51.632 52.037 0.165 0.000 0.789 370 A CB 0.271 19.364 19.000 0.154 0.000 1.025 370 A HN 0.249 nan 8.150 nan 0.000 0.490 371 N N 1.191 119.951 118.700 0.100 0.000 2.442 371 N HA 0.021 4.761 4.740 0.001 0.000 0.265 371 N C -0.463 174.973 175.510 -0.123 0.000 1.138 371 N CA 0.042 53.091 53.050 -0.002 0.000 0.956 371 N CB 0.914 39.428 38.487 0.044 0.000 1.067 371 N HN 0.592 nan 8.380 nan 0.000 0.474 372 D N 2.271 122.421 120.400 -0.416 0.000 2.388 372 D HA 0.068 4.709 4.640 0.001 0.000 0.221 372 D C -0.158 175.664 176.300 -0.798 0.000 1.133 372 D CA -0.173 53.132 54.000 -1.158 0.000 0.831 372 D CB 0.153 40.257 40.800 -1.161 0.000 0.962 372 D HN 0.181 nan 8.370 nan 0.000 0.502 373 R N 0.745 121.046 120.500 -0.332 0.000 2.410 373 R HA 0.408 4.749 4.340 0.001 0.000 0.288 373 R C 0.235 176.508 176.300 -0.045 0.000 1.051 373 R CA -0.666 55.328 56.100 -0.178 0.000 1.021 373 R CB 1.173 31.413 30.300 -0.101 0.000 1.032 373 R HN 0.194 nan 8.270 nan 0.000 0.481 374 L N 1.326 122.543 121.223 -0.009 0.000 2.380 374 L HA 0.320 4.660 4.340 0.001 0.000 0.273 374 L C 1.188 178.127 176.870 0.115 0.000 1.138 374 L CA 0.102 55.000 54.840 0.097 0.000 0.832 374 L CB 0.905 43.029 42.059 0.109 0.000 1.124 374 L HN 0.598 nan 8.230 nan 0.000 0.454 375 T N -1.062 113.581 114.554 0.148 0.000 2.572 375 T HA 0.182 4.532 4.350 0.001 0.000 0.274 375 T C 1.020 175.807 174.700 0.146 0.000 0.949 375 T CA 0.367 62.545 62.100 0.132 0.000 1.126 375 T CB 1.277 70.214 68.868 0.115 0.000 1.478 375 T HN 0.743 nan 8.240 nan 0.000 0.492 376 T N -0.480 114.145 114.554 0.118 0.000 3.055 376 T HA 0.116 4.467 4.350 0.001 0.000 0.265 376 T C 0.751 175.546 174.700 0.157 0.000 1.111 376 T CA 0.605 62.793 62.100 0.146 0.000 1.118 376 T CB -0.138 68.782 68.868 0.087 0.000 0.909 376 T HN 0.497 nan 8.240 nan 0.000 0.501 377 Q N 1.098 120.941 119.800 0.073 0.000 2.303 377 Q HA 0.391 4.731 4.340 0.001 0.000 0.257 377 Q C -0.641 175.335 176.000 -0.039 0.000 0.941 377 Q CA -0.527 55.265 55.803 -0.018 0.000 0.931 377 Q CB 0.855 29.570 28.738 -0.038 0.000 1.215 377 Q HN 0.428 nan 8.270 nan 0.000 0.437 378 M N 3.778 123.262 119.600 -0.193 0.000 2.251 378 M HA -0.043 4.438 4.480 0.001 0.000 0.343 378 M C 0.496 176.772 176.300 -0.041 0.000 1.245 378 M CA 1.259 56.476 55.300 -0.139 0.000 1.061 378 M CB 0.475 32.898 32.600 -0.295 0.000 1.723 378 M HN 0.565 nan 8.290 nan 0.000 0.449 379 K N 0.417 120.898 120.400 0.134 0.000 2.477 379 K HA 0.123 4.443 4.320 0.001 0.000 0.208 379 K C 0.066 176.780 176.600 0.189 0.000 1.117 379 K CA -0.104 56.307 56.287 0.208 0.000 1.039 379 K CB 0.752 33.558 32.500 0.510 0.000 0.937 379 K HN 0.748 nan 8.250 nan 0.000 0.570 380 S N 0.541 116.269 115.700 0.046 0.000 2.580 380 S HA 0.112 4.582 4.470 0.001 0.000 0.274 380 S C 1.151 175.641 174.600 -0.184 0.000 1.329 380 S CA -0.755 57.258 58.200 -0.311 0.000 1.036 380 S CB 1.524 64.309 63.200 -0.690 0.000 0.919 380 S HN 0.055 nan 8.310 nan 0.000 0.515 381 V N -1.061 118.735 119.914 -0.197 0.000 3.643 381 V HA 0.656 4.777 4.120 0.001 0.000 0.280 381 V C 0.793 176.823 176.094 -0.106 0.000 1.351 381 V CA 0.612 62.853 62.300 -0.098 0.000 1.073 381 V CB -0.814 30.990 31.823 -0.032 0.000 0.863 381 V HN 1.195 nan 8.190 nan 0.000 0.436 382 G N 0.436 109.138 108.800 -0.163 0.000 2.489 382 G HA2 0.619 4.580 3.960 0.001 0.000 0.305 382 G HA3 0.619 4.580 3.960 0.001 0.000 0.305 382 G C -1.737 173.073 174.900 -0.151 0.000 1.311 382 G CA -0.042 44.984 45.100 -0.123 0.000 0.813 382 G HN 0.682 nan 8.290 nan 0.000 0.480 383 E N -1.975 118.167 120.200 -0.096 0.000 2.388 383 E HA 0.613 4.963 4.350 0.001 0.000 0.280 383 E C -2.073 174.507 176.600 -0.033 0.000 1.019 383 E CA -0.940 55.413 56.400 -0.077 0.000 0.806 383 E CB 2.292 31.953 29.700 -0.064 0.000 1.246 383 E HN 0.841 nan 8.360 nan 0.000 0.443 384 V N 2.233 122.139 119.914 -0.013 0.000 2.864 384 V HA 0.735 4.856 4.120 0.001 0.000 0.314 384 V C -0.965 175.172 176.094 0.073 0.000 1.073 384 V CA -0.754 61.562 62.300 0.025 0.000 0.956 384 V CB 1.957 33.788 31.823 0.013 0.000 1.023 384 V HN 0.843 nan 8.190 nan 0.000 0.435 385 M N 4.797 124.506 119.600 0.182 0.000 2.572 385 M HA 0.880 5.360 4.480 0.001 0.000 0.299 385 M C -1.277 175.213 176.300 0.316 0.000 1.205 385 M CA -0.468 54.974 55.300 0.236 0.000 0.876 385 M CB 2.123 34.906 32.600 0.305 0.000 1.728 385 M HN 0.870 nan 8.290 nan 0.000 0.458 386 A N 3.997 126.905 122.820 0.147 0.000 2.572 386 A HA 0.846 5.167 4.320 0.001 0.000 0.295 386 A C -1.762 175.802 177.584 -0.035 0.000 1.072 386 A CA -0.714 51.397 52.037 0.124 0.000 0.691 386 A CB 1.523 20.576 19.000 0.088 0.000 1.291 386 A HN 0.845 nan 8.150 nan 0.000 0.404 387 I N 0.786 121.291 120.570 -0.108 0.000 2.509 387 I HA 0.731 4.902 4.170 0.001 0.000 0.293 387 I C 0.488 176.459 176.117 -0.244 0.000 1.020 387 I CA -0.604 60.471 61.300 -0.375 0.000 1.088 387 I CB 2.499 39.919 38.000 -0.965 0.000 1.267 387 I HN 0.844 nan 8.210 nan 0.000 0.430 388 G N 3.437 112.127 108.800 -0.183 0.000 2.692 388 G HA2 0.368 4.329 3.960 0.001 0.000 0.291 388 G HA3 0.368 4.329 3.960 0.001 0.000 0.291 388 G C -0.043 174.920 174.900 0.105 0.000 1.423 388 G CA -0.538 44.582 45.100 0.034 0.000 0.843 388 G HN 0.445 nan 8.290 nan 0.000 0.486 389 R N -0.749 119.879 120.500 0.214 0.000 2.235 389 R HA 0.066 4.407 4.340 0.001 0.000 0.213 389 R C 0.974 177.375 176.300 0.169 0.000 1.059 389 R CA 1.253 57.490 56.100 0.228 0.000 0.997 389 R CB -0.138 30.296 30.300 0.224 0.000 0.884 389 R HN 0.726 nan 8.270 nan 0.000 0.462 390 T N -4.365 110.275 114.554 0.144 0.000 2.883 390 T HA 0.206 4.556 4.350 0.001 0.000 0.296 390 T C 0.697 175.475 174.700 0.130 0.000 1.117 390 T CA -0.884 61.293 62.100 0.129 0.000 1.006 390 T CB 2.239 71.164 68.868 0.095 0.000 1.191 390 T HN -0.204 nan 8.240 nan 0.000 0.508 391 Q N 0.476 120.367 119.800 0.152 0.000 2.084 391 Q HA -0.115 4.226 4.340 0.001 0.000 0.202 391 Q C 2.234 178.295 176.000 0.102 0.000 0.978 391 Q CA 2.036 57.945 55.803 0.176 0.000 0.844 391 Q CB -0.497 28.391 28.738 0.250 0.000 0.898 391 Q HN 0.795 nan 8.270 nan 0.000 0.426 392 Q N -0.178 119.648 119.800 0.043 0.000 2.084 392 Q HA -0.224 4.116 4.340 0.001 0.000 0.202 392 Q C 2.024 178.023 176.000 -0.000 0.000 0.978 392 Q CA 1.705 57.513 55.803 0.009 0.000 0.844 392 Q CB -0.150 28.570 28.738 -0.031 0.000 0.898 392 Q HN 0.586 nan 8.270 nan 0.000 0.426 393 E N -0.071 120.145 120.200 0.026 0.000 2.047 393 E HA -0.196 4.154 4.350 0.001 0.000 0.191 393 E C 2.071 178.693 176.600 0.037 0.000 0.987 393 E CA 1.275 57.696 56.400 0.034 0.000 0.799 393 E CB -0.106 29.646 29.700 0.087 0.000 0.752 393 E HN 0.141 nan 8.360 nan 0.000 0.449 394 S N 0.031 115.764 115.700 0.055 0.000 2.353 394 S HA -0.195 4.275 4.470 0.001 0.000 0.222 394 S C 1.992 176.601 174.600 0.014 0.000 1.035 394 S CA 1.392 59.617 58.200 0.042 0.000 1.025 394 S CB -0.485 62.754 63.200 0.066 0.000 0.902 394 S HN 0.389 nan 8.310 nan 0.000 0.440 395 L N 1.948 123.180 121.223 0.016 0.000 1.989 395 L HA -0.129 4.212 4.340 0.001 0.000 0.211 395 L C 2.441 179.245 176.870 -0.111 0.000 1.071 395 L CA 2.063 56.877 54.840 -0.043 0.000 0.749 395 L CB -1.010 41.052 42.059 0.005 0.000 0.890 395 L HN 0.373 nan 8.230 nan 0.000 0.431 396 Q N -0.387 119.356 119.800 -0.095 0.000 2.181 396 Q HA -0.248 4.093 4.340 0.001 0.000 0.205 396 Q C 2.274 178.213 176.000 -0.101 0.000 0.980 396 Q CA 1.877 57.587 55.803 -0.155 0.000 0.862 396 Q CB -0.164 28.464 28.738 -0.182 0.000 0.905 396 Q HN 0.606 nan 8.270 nan 0.000 0.429 397 K N 0.266 120.641 120.400 -0.041 0.000 2.097 397 K HA -0.069 4.252 4.320 0.001 0.000 0.205 397 K C 2.117 178.716 176.600 -0.002 0.000 1.050 397 K CA 0.943 57.233 56.287 0.006 0.000 0.938 397 K CB -0.098 32.436 32.500 0.057 0.000 0.718 397 K HN 0.114 nan 8.250 nan 0.000 0.442 398 A N 1.540 124.344 122.820 -0.027 0.000 1.877 398 A HA -0.163 4.157 4.320 0.001 0.000 0.216 398 A C 2.110 179.662 177.584 -0.054 0.000 1.186 398 A CA 1.290 53.310 52.037 -0.028 0.000 0.620 398 A CB -0.731 18.235 19.000 -0.057 0.000 0.822 398 A HN 0.160 nan 8.150 nan 0.000 0.443 399 L N -0.316 120.831 121.223 -0.126 0.000 1.990 399 L HA -0.258 4.082 4.340 0.001 0.000 0.213 399 L C 2.788 179.649 176.870 -0.015 0.000 1.072 399 L CA 2.106 56.870 54.840 -0.127 0.000 0.755 399 L CB -0.509 41.357 42.059 -0.321 0.000 0.889 399 L HN 0.625 nan 8.230 nan 0.000 0.432 400 R N 0.095 120.580 120.500 -0.025 0.000 2.307 400 R HA -0.008 4.333 4.340 0.001 0.000 0.199 400 R C 1.521 177.832 176.300 0.018 0.000 1.000 400 R CA 1.005 57.112 56.100 0.011 0.000 1.023 400 R CB -0.338 29.971 30.300 0.015 0.000 0.908 400 R HN 0.266 nan 8.270 nan 0.000 0.473 401 G N 0.527 109.336 108.800 0.016 0.000 3.277 401 G HA2 0.021 3.981 3.960 0.001 0.000 0.243 401 G HA3 0.021 3.981 3.960 0.001 0.000 0.243 401 G C 0.853 175.760 174.900 0.011 0.000 1.107 401 G CA -0.415 44.694 45.100 0.015 0.000 0.771 401 G HN 0.194 nan 8.290 nan 0.000 0.544 402 L N 0.360 121.599 121.223 0.027 0.000 2.376 402 L HA 0.163 4.503 4.340 0.001 0.000 0.219 402 L C 1.128 178.017 176.870 0.032 0.000 1.133 402 L CA 0.854 55.719 54.840 0.043 0.000 0.816 402 L CB -0.153 41.969 42.059 0.106 0.000 0.933 402 L HN 0.217 nan 8.230 nan 0.000 0.449 403 E N -1.035 119.174 120.200 0.016 0.000 2.637 403 E HA -0.182 4.169 4.350 0.001 0.000 0.265 403 E C 0.814 177.410 176.600 -0.005 0.000 1.073 403 E CA 0.934 57.330 56.400 -0.006 0.000 0.778 403 E CB -2.192 27.494 29.700 -0.025 0.000 1.362 403 E HN 0.478 nan 8.360 nan 0.000 0.413 404 V N -4.353 115.565 119.914 0.007 0.000 3.477 404 V HA 0.597 4.717 4.120 0.001 0.000 0.297 404 V C 1.336 177.387 176.094 -0.072 0.000 1.433 404 V CA 0.983 63.268 62.300 -0.025 0.000 1.052 404 V CB 0.797 32.615 31.823 -0.007 0.000 0.895 404 V HN 0.558 nan 8.190 nan 0.000 0.438 405 G N 0.219 108.990 108.800 -0.048 0.000 2.175 405 G HA2 -0.058 3.902 3.960 0.001 0.000 0.244 405 G HA3 -0.058 3.902 3.960 0.001 0.000 0.244 405 G C 0.409 175.275 174.900 -0.057 0.000 0.982 405 G CA 0.157 45.221 45.100 -0.059 0.000 0.641 405 G HN 1.645 nan 8.290 nan 0.000 0.527 406 A N 0.307 123.107 122.820 -0.033 0.000 2.388 406 A HA 0.743 5.063 4.320 0.001 0.000 0.257 406 A C 1.342 178.955 177.584 0.049 0.000 1.095 406 A CA 1.295 53.347 52.037 0.024 0.000 0.791 406 A CB 0.558 19.673 19.000 0.191 0.000 1.029 406 A HN 1.516 nan 8.150 nan 0.000 0.489 407 T N -1.148 113.442 114.554 0.061 0.000 3.084 407 T HA 0.552 4.902 4.350 0.001 0.000 0.270 407 T C 0.783 175.519 174.700 0.060 0.000 1.008 407 T CA 0.896 63.030 62.100 0.056 0.000 0.900 407 T CB -0.172 68.732 68.868 0.061 0.000 1.084 407 T HN 2.187 nan 8.240 nan 0.000 0.538 408 G N 1.370 110.203 108.800 0.056 0.000 2.480 408 G HA2 0.225 4.185 3.960 0.001 0.000 0.109 408 G HA3 0.225 4.185 3.960 0.001 0.000 0.109 408 G C -1.428 173.439 174.900 -0.055 0.000 1.172 408 G CA -0.861 44.210 45.100 -0.049 0.000 1.091 408 G HN 0.144 nan 8.290 nan 0.000 0.464 409 F N 3.331 123.384 119.950 0.172 0.000 2.669 409 F HA 0.367 4.895 4.527 0.001 0.000 0.353 409 F C 0.153 176.121 175.800 0.281 0.000 1.192 409 F CA -0.375 57.767 58.000 0.237 0.000 1.317 409 F CB -0.159 38.924 39.000 0.138 0.000 1.652 409 F HN 0.139 nan 8.300 nan 0.000 0.608 410 D N 2.940 123.567 120.400 0.377 0.000 2.414 410 D HA 0.097 4.738 4.640 0.001 0.000 0.242 410 D C -2.178 174.211 176.300 0.148 0.000 1.129 410 D CA -0.978 53.132 54.000 0.184 0.000 0.885 410 D CB 0.294 41.115 40.800 0.036 0.000 1.198 410 D HN 0.119 nan 8.370 nan 0.000 0.437 411 P HA 0.109 nan 4.420 nan 0.000 0.274 411 P C -0.137 177.110 177.300 -0.088 0.000 1.231 411 P CA -0.355 62.760 63.100 0.025 0.000 0.790 411 P CB 1.163 32.881 31.700 0.030 0.000 0.951 412 K N 0.413 120.708 120.400 -0.174 0.000 2.399 412 K HA 0.154 4.474 4.320 0.001 0.000 0.196 412 K C 0.177 176.706 176.600 -0.119 0.000 1.117 412 K CA 0.322 56.440 56.287 -0.282 0.000 0.965 412 K CB 0.524 32.568 32.500 -0.759 0.000 0.983 412 K HN 0.410 nan 8.250 nan 0.000 0.531 413 V N -0.920 118.965 119.914 -0.048 0.000 2.823 413 V HA 0.555 4.676 4.120 0.001 0.000 0.312 413 V C -0.283 175.830 176.094 0.031 0.000 1.072 413 V CA -1.191 61.133 62.300 0.041 0.000 0.937 413 V CB 1.591 33.487 31.823 0.123 0.000 1.013 413 V HN 0.057 nan 8.190 nan 0.000 0.430 414 S N 2.945 118.665 115.700 0.033 0.000 2.601 414 S HA 0.437 4.907 4.470 0.001 0.000 0.271 414 S C 0.867 175.489 174.600 0.036 0.000 1.305 414 S CA -0.524 57.693 58.200 0.029 0.000 1.022 414 S CB 0.872 64.085 63.200 0.022 0.000 0.940 414 S HN 0.785 nan 8.310 nan 0.000 0.525 415 L N 1.501 122.745 121.223 0.035 0.000 2.201 415 L HA -0.018 4.323 4.340 0.001 0.000 0.212 415 L C 1.350 178.239 176.870 0.032 0.000 1.105 415 L CA 1.280 56.142 54.840 0.037 0.000 0.775 415 L CB -0.488 41.593 42.059 0.036 0.000 0.913 415 L HN 0.793 nan 8.230 nan 0.000 0.440 416 D N -2.447 117.969 120.400 0.026 0.000 2.388 416 D HA -0.020 4.620 4.640 0.001 0.000 0.221 416 D C 0.276 176.588 176.300 0.021 0.000 1.133 416 D CA -0.248 53.765 54.000 0.022 0.000 0.831 416 D CB -0.327 40.484 40.800 0.018 0.000 0.962 416 D HN 0.020 nan 8.370 nan 0.000 0.502 417 D N 1.072 121.487 120.400 0.025 0.000 2.316 417 D HA 0.149 4.790 4.640 0.001 0.000 0.245 417 D C -1.550 174.765 176.300 0.024 0.000 1.171 417 D CA -2.222 51.793 54.000 0.024 0.000 0.856 417 D CB 1.916 42.734 40.800 0.030 0.000 1.090 417 D HN -0.157 nan 8.370 nan 0.000 0.476 418 P HA -0.061 nan 4.420 nan 0.000 0.220 418 P C 0.636 177.946 177.300 0.016 0.000 1.148 418 P CA 0.710 63.820 63.100 0.016 0.000 0.803 418 P CB 0.472 32.180 31.700 0.012 0.000 0.782 419 E N -0.938 119.271 120.200 0.016 0.000 2.478 419 E HA 0.117 4.468 4.350 0.001 0.000 0.194 419 E C 1.888 178.501 176.600 0.021 0.000 1.045 419 E CA 0.281 56.689 56.400 0.014 0.000 0.868 419 E CB -0.963 28.742 29.700 0.009 0.000 0.885 419 E HN 0.050 nan 8.360 nan 0.000 0.505 420 A N 0.701 123.541 122.820 0.033 0.000 1.896 420 A HA -0.251 4.070 4.320 0.001 0.000 0.220 420 A C 2.083 179.697 177.584 0.050 0.000 1.206 420 A CA 1.560 53.629 52.037 0.052 0.000 0.647 420 A CB -0.863 18.172 19.000 0.059 0.000 0.828 420 A HN 0.336 nan 8.150 nan 0.000 0.455 421 L N -1.101 120.143 121.223 0.034 0.000 2.187 421 L HA -0.167 4.173 4.340 0.001 0.000 0.213 421 L C 2.731 179.605 176.870 0.005 0.000 1.100 421 L CA 1.615 56.469 54.840 0.024 0.000 0.765 421 L CB -0.555 41.515 42.059 0.019 0.000 0.904 421 L HN 0.423 nan 8.230 nan 0.000 0.437 422 T N -0.448 114.106 114.554 -0.000 0.000 2.809 422 T HA -0.110 4.241 4.350 0.001 0.000 0.260 422 T C 1.846 176.522 174.700 -0.041 0.000 1.039 422 T CA 1.076 63.165 62.100 -0.019 0.000 1.141 422 T CB 0.106 68.965 68.868 -0.016 0.000 0.869 422 T HN 0.367 nan 8.240 nan 0.000 0.437 423 K N 0.861 121.242 120.400 -0.031 0.000 2.025 423 K HA 0.049 4.369 4.320 0.001 0.000 0.207 423 K C 2.195 178.713 176.600 -0.138 0.000 1.049 423 K CA 1.098 57.340 56.287 -0.076 0.000 0.933 423 K CB -0.412 32.079 32.500 -0.015 0.000 0.714 423 K HN 0.288 nan 8.250 nan 0.000 0.438 424 I N 1.466 122.022 120.570 -0.024 0.000 2.127 424 I HA -0.303 3.868 4.170 0.001 0.000 0.241 424 I C 2.930 179.007 176.117 -0.067 0.000 1.075 424 I CA 1.270 62.580 61.300 0.016 0.000 1.334 424 I CB -0.243 37.813 38.000 0.094 0.000 1.040 424 I HN 0.202 nan 8.210 nan 0.000 0.405 425 R N 0.707 121.175 120.500 -0.053 0.000 2.103 425 R HA -0.235 4.106 4.340 0.001 0.000 0.242 425 R C 2.544 178.787 176.300 -0.095 0.000 1.142 425 R CA 1.549 57.612 56.100 -0.062 0.000 0.960 425 R CB -0.290 29.984 30.300 -0.044 0.000 0.858 425 R HN 0.239 nan 8.270 nan 0.000 0.439 426 R N 0.795 121.221 120.500 -0.123 0.000 2.075 426 R HA -0.108 4.232 4.340 0.001 0.000 0.232 426 R C 1.522 177.713 176.300 -0.182 0.000 1.126 426 R CA 1.497 57.510 56.100 -0.144 0.000 0.963 426 R CB -0.151 30.057 30.300 -0.153 0.000 0.858 426 R HN 0.301 nan 8.270 nan 0.000 0.435 427 E N 0.405 120.442 120.200 -0.271 0.000 2.268 427 E HA -0.134 4.216 4.350 0.001 0.000 0.195 427 E C 1.860 178.370 176.600 -0.150 0.000 0.995 427 E CA 0.619 56.821 56.400 -0.331 0.000 0.836 427 E CB 0.067 29.266 29.700 -0.836 0.000 0.763 427 E HN 0.202 nan 8.360 nan 0.000 0.491 428 L N 0.795 121.955 121.223 -0.105 0.000 2.168 428 L HA 0.011 4.352 4.340 0.001 0.000 0.203 428 L C 2.299 179.131 176.870 -0.065 0.000 1.078 428 L CA 1.284 56.091 54.840 -0.055 0.000 0.780 428 L CB -0.424 41.602 42.059 -0.055 0.000 0.939 428 L HN -0.071 nan 8.230 nan 0.000 0.451 429 K N -0.557 119.796 120.400 -0.079 0.000 2.057 429 K HA -0.068 4.252 4.320 0.001 0.000 0.206 429 K C -0.344 176.212 176.600 -0.073 0.000 1.050 429 K CA 1.105 57.346 56.287 -0.076 0.000 0.935 429 K CB 0.226 32.679 32.500 -0.079 0.000 0.715 429 K HN 0.255 nan 8.250 nan 0.000 0.439 430 D N 0.649 120.996 120.400 -0.088 0.000 2.408 430 D HA 0.167 4.808 4.640 0.001 0.000 0.261 430 D C -1.233 175.016 176.300 -0.085 0.000 1.190 430 D CA -0.140 53.809 54.000 -0.084 0.000 0.910 430 D CB 1.515 42.248 40.800 -0.113 0.000 1.097 430 D HN 0.187 nan 8.370 nan 0.000 0.522 431 A N 1.753 124.545 122.820 -0.047 0.000 2.546 431 A HA 0.507 4.828 4.320 0.001 0.000 0.243 431 A C 0.832 178.379 177.584 -0.062 0.000 1.063 431 A CA 0.341 52.361 52.037 -0.028 0.000 0.757 431 A CB 0.548 19.561 19.000 0.022 0.000 0.991 431 A HN 0.551 nan 8.150 nan 0.000 0.503 432 G N -0.336 108.419 108.800 -0.075 0.000 3.175 432 G HA2 0.559 4.519 3.960 0.001 0.000 0.255 432 G HA3 0.559 4.519 3.960 0.001 0.000 0.255 432 G C 0.855 175.688 174.900 -0.112 0.000 1.352 432 G CA 0.136 45.145 45.100 -0.153 0.000 1.037 432 G HN 1.261 nan 8.290 nan 0.000 0.556 433 A N -0.902 121.819 122.820 -0.165 0.000 2.066 433 A HA 0.113 4.434 4.320 0.001 0.000 0.218 433 A C 1.498 179.261 177.584 0.298 0.000 1.157 433 A CA 1.703 53.661 52.037 -0.131 0.000 0.670 433 A CB -0.133 18.798 19.000 -0.115 0.000 0.804 433 A HN 0.379 nan 8.150 nan 0.000 0.453 434 D N -0.946 119.660 120.400 0.343 0.000 2.339 434 D HA 0.021 4.662 4.640 0.001 0.000 0.217 434 D C 1.731 178.448 176.300 0.695 0.000 1.050 434 D CA 0.126 54.513 54.000 0.646 0.000 0.856 434 D CB -0.172 40.972 40.800 0.575 0.000 0.922 434 D HN 0.520 nan 8.370 nan 0.000 0.518 435 R N 0.710 121.455 120.500 0.407 0.000 2.103 435 R HA -0.194 4.146 4.340 0.001 0.000 0.242 435 R C 2.049 178.520 176.300 0.285 0.000 1.142 435 R CA 1.056 57.353 56.100 0.328 0.000 0.960 435 R CB -0.366 30.043 30.300 0.181 0.000 0.858 435 R HN 0.118 nan 8.270 nan 0.000 0.439 436 I N 0.173 120.804 120.570 0.101 0.000 2.264 436 I HA -0.277 3.893 4.170 0.001 0.000 0.248 436 I C 1.536 177.658 176.117 0.009 0.000 1.111 436 I CA 1.507 62.756 61.300 -0.086 0.000 1.382 436 I CB -0.192 37.476 38.000 -0.553 0.000 1.060 436 I HN 0.314 nan 8.210 nan 0.000 0.418 437 W N -0.794 120.626 121.300 0.199 0.000 2.518 437 W HA -0.127 4.534 4.660 0.001 0.000 0.273 437 W C 2.355 178.889 176.519 0.025 0.000 1.247 437 W CA 0.666 58.089 57.345 0.129 0.000 1.288 437 W CB -1.063 28.362 29.460 -0.058 0.000 1.107 437 W HN 0.226 nan 8.180 nan 0.000 0.586 438 Y N 0.232 120.716 120.300 0.307 0.000 2.439 438 Y HA -0.099 4.451 4.550 0.001 0.000 0.292 438 Y C 2.388 178.315 175.900 0.045 0.000 1.130 438 Y CA 0.930 59.122 58.100 0.154 0.000 1.254 438 Y CB -0.598 37.926 38.460 0.107 0.000 1.000 438 Y HN -0.200 nan 8.280 nan 0.000 0.554 439 I N -0.783 119.881 120.570 0.156 0.000 2.315 439 I HA -0.308 3.862 4.170 0.001 0.000 0.248 439 I C 2.483 178.474 176.117 -0.210 0.000 1.117 439 I CA 1.152 62.416 61.300 -0.060 0.000 1.404 439 I CB -0.358 37.673 38.000 0.052 0.000 1.071 439 I HN 0.197 nan 8.210 nan 0.000 0.419 440 A N 0.163 122.985 122.820 0.003 0.000 1.898 440 A HA -0.180 4.141 4.320 0.001 0.000 0.214 440 A C 1.945 179.573 177.584 0.073 0.000 1.183 440 A CA 1.502 53.566 52.037 0.046 0.000 0.622 440 A CB -0.473 18.546 19.000 0.031 0.000 0.824 440 A HN 0.274 nan 8.150 nan 0.000 0.444 441 D N 0.398 120.844 120.400 0.077 0.000 2.190 441 D HA -0.115 4.525 4.640 0.001 0.000 0.200 441 D C 2.145 178.471 176.300 0.042 0.000 0.992 441 D CA 1.456 55.499 54.000 0.071 0.000 0.854 441 D CB -0.309 40.533 40.800 0.069 0.000 0.936 441 D HN 0.427 nan 8.370 nan 0.000 0.462 442 A N 0.042 122.833 122.820 -0.050 0.000 1.933 442 A HA -0.155 4.166 4.320 0.001 0.000 0.218 442 A C 1.900 179.428 177.584 -0.093 0.000 1.175 442 A CA 0.960 52.920 52.037 -0.129 0.000 0.628 442 A CB -0.766 18.047 19.000 -0.312 0.000 0.814 442 A HN 0.140 nan 8.150 nan 0.000 0.444 443 F N -0.265 119.710 119.950 0.043 0.000 2.293 443 F HA 0.048 4.576 4.527 0.001 0.000 0.297 443 F C 2.446 178.261 175.800 0.025 0.000 1.089 443 F CA 0.853 58.867 58.000 0.023 0.000 1.377 443 F CB -0.447 38.550 39.000 -0.005 0.000 1.051 443 F HN 0.110 nan 8.300 nan 0.000 0.511 444 R N -0.052 120.566 120.500 0.197 0.000 2.092 444 R HA -0.027 4.314 4.340 0.001 0.000 0.231 444 R C 2.151 178.511 176.300 0.100 0.000 1.119 444 R CA 1.141 57.320 56.100 0.132 0.000 0.970 444 R CB -0.568 29.796 30.300 0.107 0.000 0.864 444 R HN 0.213 nan 8.270 nan 0.000 0.440 445 A N -0.262 122.611 122.820 0.088 0.000 2.238 445 A HA 0.205 4.526 4.320 0.001 0.000 0.208 445 A C 1.301 178.927 177.584 0.069 0.000 1.177 445 A CA 0.876 52.954 52.037 0.068 0.000 0.804 445 A CB 0.086 19.118 19.000 0.054 0.000 0.823 445 A HN 0.467 nan 8.150 nan 0.000 0.482 446 G N -1.603 107.254 108.800 0.095 0.000 2.163 446 G HA2 -0.158 3.802 3.960 0.001 0.000 0.213 446 G HA3 -0.158 3.802 3.960 0.001 0.000 0.213 446 G C 0.025 174.988 174.900 0.105 0.000 0.991 446 G CA 0.004 45.159 45.100 0.092 0.000 0.653 446 G HN 0.356 nan 8.290 nan 0.000 0.518 447 L N 2.228 123.521 121.223 0.116 0.000 2.380 447 L HA 0.527 4.867 4.340 0.001 0.000 0.273 447 L C 1.512 178.522 176.870 0.233 0.000 1.138 447 L CA 0.132 55.038 54.840 0.110 0.000 0.832 447 L CB 1.268 43.335 42.059 0.014 0.000 1.124 447 L HN 0.470 nan 8.230 nan 0.000 0.454 448 S N 1.982 117.796 115.700 0.191 0.000 2.645 448 S HA 0.194 4.665 4.470 0.001 0.000 0.266 448 S C 1.082 175.896 174.600 0.356 0.000 1.258 448 S CA -0.904 57.434 58.200 0.231 0.000 0.990 448 S CB 1.556 64.836 63.200 0.134 0.000 0.967 448 S HN 0.341 nan 8.310 nan 0.000 0.556 449 V N 1.312 121.420 119.914 0.324 0.000 2.295 449 V HA -0.156 3.965 4.120 0.001 0.000 0.246 449 V C 2.220 178.481 176.094 0.278 0.000 1.049 449 V CA 2.312 64.826 62.300 0.357 0.000 1.024 449 V CB -0.998 30.908 31.823 0.137 0.000 0.648 449 V HN 0.860 nan 8.190 nan 0.000 0.447 450 D N 0.466 120.977 120.400 0.184 0.000 2.123 450 D HA -0.127 4.514 4.640 0.001 0.000 0.196 450 D C 2.172 178.608 176.300 0.226 0.000 0.992 450 D CA 1.630 55.738 54.000 0.181 0.000 0.833 450 D CB -0.634 40.228 40.800 0.104 0.000 0.954 450 D HN 0.481 nan 8.370 nan 0.000 0.455 451 G N 0.766 109.668 108.800 0.170 0.000 2.459 451 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 451 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 451 G C 1.870 176.831 174.900 0.101 0.000 1.183 451 G CA 0.871 46.044 45.100 0.121 0.000 0.776 451 G HN 0.254 nan 8.290 nan 0.000 0.552 452 V N 0.438 120.417 119.914 0.108 0.000 2.490 452 V HA -0.117 4.004 4.120 0.001 0.000 0.250 452 V C 2.312 178.454 176.094 0.080 0.000 1.061 452 V CA 1.770 64.092 62.300 0.036 0.000 1.064 452 V CB -0.582 31.208 31.823 -0.054 0.000 0.670 452 V HN 0.417 nan 8.190 nan 0.000 0.461 453 F N 1.847 121.828 119.950 0.053 0.000 2.146 453 F HA -0.161 4.367 4.527 0.001 0.000 0.298 453 F C 2.302 178.123 175.800 0.035 0.000 1.096 453 F CA 1.814 59.843 58.000 0.048 0.000 1.275 453 F CB -0.294 38.744 39.000 0.064 0.000 1.008 453 F HN 0.186 nan 8.300 nan 0.000 0.480 454 N N 0.861 119.591 118.700 0.050 0.000 2.223 454 N HA -0.145 4.595 4.740 0.001 0.000 0.185 454 N C 1.931 177.358 175.510 -0.139 0.000 1.016 454 N CA 1.553 54.584 53.050 -0.032 0.000 0.863 454 N CB -0.429 38.129 38.487 0.117 0.000 0.983 454 N HN 0.391 nan 8.380 nan 0.000 0.429 455 L N 0.092 121.251 121.223 -0.107 0.000 2.162 455 L HA -0.015 4.326 4.340 0.001 0.000 0.205 455 L C 2.242 179.029 176.870 -0.139 0.000 1.086 455 L CA 1.247 56.027 54.840 -0.101 0.000 0.778 455 L CB -0.283 41.737 42.059 -0.066 0.000 0.928 455 L HN 0.274 nan 8.230 nan 0.000 0.446 456 T N -5.528 108.914 114.554 -0.186 0.000 3.023 456 T HA 0.108 4.458 4.350 0.001 0.000 0.249 456 T C 0.869 175.415 174.700 -0.256 0.000 1.050 456 T CA 0.447 62.444 62.100 -0.172 0.000 1.088 456 T CB -0.059 68.733 68.868 -0.127 0.000 0.946 456 T HN 0.301 nan 8.240 nan 0.000 0.480 457 N N 0.372 118.768 118.700 -0.507 0.000 2.800 457 N HA -0.115 4.625 4.740 0.001 0.000 0.250 457 N C -0.861 174.490 175.510 -0.265 0.000 1.078 457 N CA 0.514 53.205 53.050 -0.599 0.000 0.804 457 N CB -1.646 36.674 38.487 -0.278 0.000 1.135 457 N HN 0.562 nan 8.380 nan 0.000 0.565 458 I N 1.082 121.538 120.570 -0.191 0.000 2.352 458 I HA 0.037 4.208 4.170 0.001 0.000 0.290 458 I C 0.782 177.016 176.117 0.196 0.000 1.036 458 I CA -0.328 60.887 61.300 -0.141 0.000 1.336 458 I CB 0.525 38.278 38.000 -0.411 0.000 1.407 458 I HN 0.134 nan 8.210 nan 0.000 0.497 459 D N 6.338 126.943 120.400 0.342 0.000 2.730 459 D HA -0.112 4.529 4.640 0.001 0.000 0.225 459 D C 1.236 177.777 176.300 0.400 0.000 1.107 459 D CA 0.583 54.852 54.000 0.449 0.000 0.837 459 D CB 0.793 41.837 40.800 0.407 0.000 1.171 459 D HN 0.501 nan 8.370 nan 0.000 0.498 460 R N 2.911 123.565 120.500 0.256 0.000 2.170 460 R HA -0.208 4.132 4.340 0.001 0.000 0.242 460 R C 1.952 178.333 176.300 0.135 0.000 1.145 460 R CA 1.373 57.570 56.100 0.162 0.000 0.984 460 R CB -0.172 30.131 30.300 0.005 0.000 0.869 460 R HN 0.654 nan 8.270 nan 0.000 0.455 461 W N 0.652 121.923 121.300 -0.047 0.000 2.342 461 W HA -0.198 4.463 4.660 0.001 0.000 0.297 461 W C 1.184 177.619 176.519 -0.139 0.000 1.213 461 W CA 1.488 58.733 57.345 -0.167 0.000 1.251 461 W CB -0.156 29.103 29.460 -0.334 0.000 1.136 461 W HN -0.029 nan 8.180 nan 0.000 0.526 462 F N -0.495 119.570 119.950 0.193 0.000 2.219 462 F HA -0.017 4.511 4.527 0.001 0.000 0.294 462 F C 2.229 178.068 175.800 0.065 0.000 1.086 462 F CA 1.099 59.173 58.000 0.124 0.000 1.330 462 F CB -1.178 37.991 39.000 0.282 0.000 1.047 462 F HN -0.262 nan 8.300 nan 0.000 0.495 463 L N 0.289 121.694 121.223 0.303 0.000 1.989 463 L HA -0.213 4.128 4.340 0.001 0.000 0.211 463 L C 2.647 179.555 176.870 0.065 0.000 1.071 463 L CA 1.603 56.611 54.840 0.281 0.000 0.749 463 L CB -1.249 41.025 42.059 0.358 0.000 0.890 463 L HN 0.163 nan 8.230 nan 0.000 0.431 464 V N -2.521 117.357 119.914 -0.061 0.000 2.546 464 V HA -0.310 3.810 4.120 0.001 0.000 0.254 464 V C 2.150 178.098 176.094 -0.244 0.000 1.076 464 V CA 1.730 63.908 62.300 -0.205 0.000 1.087 464 V CB -0.917 30.790 31.823 -0.194 0.000 0.674 464 V HN 0.544 nan 8.190 nan 0.000 0.470 465 Q N -0.010 119.659 119.800 -0.218 0.000 2.172 465 Q HA 0.065 4.405 4.340 0.001 0.000 0.200 465 Q C 2.306 178.218 176.000 -0.147 0.000 0.964 465 Q CA 1.842 57.522 55.803 -0.205 0.000 0.855 465 Q CB -0.175 28.413 28.738 -0.250 0.000 0.918 465 Q HN 0.676 nan 8.270 nan 0.000 0.444 466 I N 0.721 121.230 120.570 -0.101 0.000 2.233 466 I HA -0.233 3.937 4.170 0.001 0.000 0.243 466 I C 2.487 178.458 176.117 -0.244 0.000 1.093 466 I CA 1.022 62.212 61.300 -0.183 0.000 1.380 466 I CB -0.240 37.732 38.000 -0.047 0.000 1.067 466 I HN 0.257 nan 8.210 nan 0.000 0.413 467 E N 1.252 121.184 120.200 -0.447 0.000 2.097 467 E HA -0.327 4.024 4.350 0.001 0.000 0.196 467 E C 2.093 178.502 176.600 -0.319 0.000 1.000 467 E CA 1.701 57.667 56.400 -0.723 0.000 0.804 467 E CB -0.048 28.829 29.700 -1.372 0.000 0.740 467 E HN 0.457 nan 8.360 nan 0.000 0.454 468 E N 0.298 120.354 120.200 -0.240 0.000 2.085 468 E HA -0.216 4.135 4.350 0.001 0.000 0.194 468 E C 2.296 178.888 176.600 -0.012 0.000 0.994 468 E CA 1.130 57.460 56.400 -0.116 0.000 0.801 468 E CB -0.098 29.542 29.700 -0.100 0.000 0.743 468 E HN 0.345 nan 8.360 nan 0.000 0.453 469 L N 0.253 121.470 121.223 -0.010 0.000 2.042 469 L HA -0.195 4.145 4.340 0.001 0.000 0.210 469 L C 2.580 179.579 176.870 0.216 0.000 1.076 469 L CA 0.839 55.771 54.840 0.154 0.000 0.749 469 L CB -0.463 41.582 42.059 -0.023 0.000 0.893 469 L HN 0.129 nan 8.230 nan 0.000 0.432 470 V N -0.266 119.681 119.914 0.056 0.000 2.261 470 V HA -0.261 3.860 4.120 0.001 0.000 0.246 470 V C 2.729 178.870 176.094 0.078 0.000 1.047 470 V CA 1.616 63.967 62.300 0.084 0.000 1.015 470 V CB -0.614 31.255 31.823 0.076 0.000 0.642 470 V HN 0.428 nan 8.190 nan 0.000 0.446 471 R N -0.236 120.282 120.500 0.031 0.000 2.091 471 R HA -0.127 4.214 4.340 0.001 0.000 0.238 471 R C 2.217 178.548 176.300 0.052 0.000 1.136 471 R CA 1.459 57.573 56.100 0.023 0.000 0.959 471 R CB -0.953 29.337 30.300 -0.016 0.000 0.856 471 R HN 0.445 nan 8.270 nan 0.000 0.437 472 L N 0.773 122.050 121.223 0.091 0.000 2.093 472 L HA -0.137 4.204 4.340 0.001 0.000 0.208 472 L C 2.411 179.302 176.870 0.034 0.000 1.085 472 L CA 1.220 56.124 54.840 0.107 0.000 0.755 472 L CB -0.371 41.782 42.059 0.157 0.000 0.904 472 L HN 0.229 nan 8.230 nan 0.000 0.435 473 E N 0.099 120.323 120.200 0.040 0.000 2.110 473 E HA -0.250 4.100 4.350 0.001 0.000 0.193 473 E C 2.007 178.619 176.600 0.021 0.000 0.988 473 E CA 1.279 57.673 56.400 -0.010 0.000 0.804 473 E CB -0.041 29.729 29.700 0.117 0.000 0.745 473 E HN 0.568 nan 8.360 nan 0.000 0.458 474 E N 0.767 120.995 120.200 0.045 0.000 2.110 474 E HA -0.213 4.138 4.350 0.001 0.000 0.193 474 E C 2.069 178.688 176.600 0.031 0.000 0.988 474 E CA 0.989 57.411 56.400 0.038 0.000 0.804 474 E CB -0.045 29.677 29.700 0.036 0.000 0.745 474 E HN 0.099 nan 8.360 nan 0.000 0.458 475 K N 0.999 121.423 120.400 0.040 0.000 2.031 475 K HA -0.111 4.209 4.320 0.001 0.000 0.205 475 K C 2.094 178.746 176.600 0.087 0.000 1.049 475 K CA 0.954 57.260 56.287 0.031 0.000 0.939 475 K CB 0.034 32.543 32.500 0.014 0.000 0.717 475 K HN -0.065 nan 8.250 nan 0.000 0.438 476 V N 1.693 121.696 119.914 0.148 0.000 2.287 476 V HA -0.281 3.839 4.120 0.001 0.000 0.248 476 V C 2.516 178.644 176.094 0.057 0.000 1.053 476 V CA 2.062 64.442 62.300 0.133 0.000 1.027 476 V CB -0.836 30.962 31.823 -0.041 0.000 0.646 476 V HN 0.550 nan 8.190 nan 0.000 0.447 477 A N -0.693 122.145 122.820 0.029 0.000 1.908 477 A HA -0.313 4.007 4.320 0.001 0.000 0.218 477 A C 2.274 179.872 177.584 0.023 0.000 1.181 477 A CA 2.260 54.310 52.037 0.022 0.000 0.627 477 A CB -0.538 18.476 19.000 0.024 0.000 0.818 477 A HN 0.634 nan 8.150 nan 0.000 0.445 478 E N -0.448 119.765 120.200 0.022 0.000 2.047 478 E HA -0.130 4.220 4.350 0.001 0.000 0.191 478 E C 1.944 178.551 176.600 0.011 0.000 0.987 478 E CA 1.671 58.078 56.400 0.011 0.000 0.799 478 E CB -0.105 29.594 29.700 -0.002 0.000 0.752 478 E HN 0.574 nan 8.360 nan 0.000 0.449 479 V N -2.156 117.772 119.914 0.023 0.000 3.235 479 V HA 0.280 4.401 4.120 0.001 0.000 0.259 479 V C 0.928 177.046 176.094 0.039 0.000 1.133 479 V CA 0.657 62.971 62.300 0.023 0.000 1.128 479 V CB -0.660 31.172 31.823 0.015 0.000 0.757 479 V HN 0.350 nan 8.190 nan 0.000 0.469 480 G N 0.392 109.218 108.800 0.044 0.000 2.888 480 G HA2 -0.316 3.644 3.960 0.001 0.000 0.441 480 G HA3 -0.316 3.644 3.960 0.001 0.000 0.441 480 G C 0.304 175.232 174.900 0.047 0.000 1.461 480 G CA 0.133 45.254 45.100 0.034 0.000 0.897 480 G HN 0.953 nan 8.290 nan 0.000 0.547 481 I N -0.098 120.490 120.570 0.030 0.000 2.657 481 I HA -0.118 4.053 4.170 0.001 0.000 0.261 481 I C 2.490 178.637 176.117 0.049 0.000 1.212 481 I CA 2.507 63.825 61.300 0.029 0.000 1.453 481 I CB -0.030 37.974 38.000 0.007 0.000 1.092 481 I HN 0.638 nan 8.210 nan 0.000 0.452 482 T N -0.087 114.496 114.554 0.048 0.000 2.942 482 T HA 0.002 4.353 4.350 0.001 0.000 0.265 482 T C 1.535 176.280 174.700 0.074 0.000 1.062 482 T CA 1.164 63.296 62.100 0.053 0.000 1.139 482 T CB -0.275 68.614 68.868 0.034 0.000 0.883 482 T HN 0.591 nan 8.240 nan 0.000 0.468 483 G N 0.727 109.576 108.800 0.082 0.000 2.920 483 G HA2 0.124 4.085 3.960 0.001 0.000 0.208 483 G HA3 0.124 4.085 3.960 0.001 0.000 0.208 483 G C 0.619 175.646 174.900 0.212 0.000 1.159 483 G CA -0.115 45.046 45.100 0.100 0.000 0.784 483 G HN 0.441 nan 8.290 nan 0.000 0.535 484 L N 2.562 123.905 121.223 0.199 0.000 2.533 484 L HA 0.157 4.498 4.340 0.001 0.000 0.239 484 L C 0.463 177.487 176.870 0.257 0.000 1.376 484 L CA -0.730 54.245 54.840 0.224 0.000 1.240 484 L CB -1.023 41.099 42.059 0.105 0.000 1.487 484 L HN 0.305 nan 8.230 nan 0.000 0.419 485 N N -0.160 118.661 118.700 0.201 0.000 2.326 485 N HA 0.147 4.888 4.740 0.001 0.000 0.239 485 N C 1.242 176.663 175.510 -0.148 0.000 1.301 485 N CA 0.244 53.324 53.050 0.049 0.000 0.909 485 N CB 0.812 39.302 38.487 0.005 0.000 1.156 485 N HN 0.192 nan 8.380 nan 0.000 0.462 486 A N -0.127 122.293 122.820 -0.667 0.000 1.972 486 A HA -0.201 4.120 4.320 0.001 0.000 0.219 486 A C 1.469 178.900 177.584 -0.256 0.000 1.169 486 A CA 1.581 53.126 52.037 -0.820 0.000 0.635 486 A CB -0.686 17.686 19.000 -1.047 0.000 0.810 486 A HN 0.791 nan 8.150 nan 0.000 0.446 487 D N -1.047 119.271 120.400 -0.137 0.000 2.084 487 D HA -0.102 4.538 4.640 0.001 0.000 0.196 487 D C 1.633 177.976 176.300 0.072 0.000 0.985 487 D CA 1.142 55.127 54.000 -0.025 0.000 0.826 487 D CB -0.511 40.284 40.800 -0.009 0.000 0.978 487 D HN 0.409 nan 8.370 nan 0.000 0.456 488 F N 1.472 121.376 119.950 -0.076 0.000 2.146 488 F HA -0.089 4.439 4.527 0.001 0.000 0.298 488 F C 2.025 177.794 175.800 -0.052 0.000 1.096 488 F CA 0.545 58.511 58.000 -0.056 0.000 1.275 488 F CB -0.560 38.408 39.000 -0.053 0.000 1.008 488 F HN -0.111 nan 8.300 nan 0.000 0.480 489 L N 0.911 122.057 121.223 -0.128 0.000 2.141 489 L HA -0.094 4.247 4.340 0.001 0.000 0.209 489 L C 2.592 179.352 176.870 -0.183 0.000 1.094 489 L CA 1.828 56.534 54.840 -0.223 0.000 0.763 489 L CB -0.934 41.130 42.059 0.008 0.000 0.908 489 L HN 0.214 nan 8.230 nan 0.000 0.437 490 R N -0.910 119.534 120.500 -0.094 0.000 2.075 490 R HA -0.192 4.148 4.340 0.001 0.000 0.232 490 R C 2.332 178.577 176.300 -0.091 0.000 1.126 490 R CA 1.593 57.642 56.100 -0.084 0.000 0.963 490 R CB -0.449 29.846 30.300 -0.009 0.000 0.858 490 R HN 0.601 nan 8.270 nan 0.000 0.435 491 Q N 0.709 120.487 119.800 -0.036 0.000 2.096 491 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 491 Q C 2.122 178.108 176.000 -0.024 0.000 0.982 491 Q CA 1.761 57.573 55.803 0.014 0.000 0.850 491 Q CB -0.074 28.733 28.738 0.117 0.000 0.901 491 Q HN 0.487 nan 8.270 nan 0.000 0.422 492 L N 0.505 121.634 121.223 -0.156 0.000 2.027 492 L HA -0.196 4.144 4.340 0.001 0.000 0.206 492 L C 2.575 179.439 176.870 -0.010 0.000 1.074 492 L CA 1.041 55.811 54.840 -0.117 0.000 0.745 492 L CB -0.406 41.372 42.059 -0.468 0.000 0.898 492 L HN 0.060 nan 8.230 nan 0.000 0.433 493 K N 0.271 120.524 120.400 -0.245 0.000 2.147 493 K HA -0.123 4.197 4.320 0.001 0.000 0.205 493 K C 2.139 178.513 176.600 -0.377 0.000 1.049 493 K CA 1.174 57.160 56.287 -0.502 0.000 0.936 493 K CB -0.321 31.437 32.500 -1.236 0.000 0.722 493 K HN 0.265 nan 8.250 nan 0.000 0.446 494 R N 0.679 121.073 120.500 -0.177 0.000 2.189 494 R HA 0.001 4.342 4.340 0.001 0.000 0.218 494 R C 1.399 177.728 176.300 0.048 0.000 1.074 494 R CA 0.692 56.803 56.100 0.017 0.000 0.991 494 R CB 0.173 30.509 30.300 0.060 0.000 0.883 494 R HN -0.062 nan 8.270 nan 0.000 0.457 495 K N -0.618 119.811 120.400 0.048 0.000 2.458 495 K HA 0.122 4.442 4.320 0.001 0.000 0.194 495 K C 0.841 177.391 176.600 -0.083 0.000 1.024 495 K CA 0.713 57.017 56.287 0.029 0.000 1.108 495 K CB 0.904 33.486 32.500 0.137 0.000 0.846 495 K HN 0.376 nan 8.250 nan 0.000 0.518 496 G N 1.235 110.013 108.800 -0.036 0.000 2.176 496 G HA2 -0.265 3.696 3.960 0.001 0.000 0.253 496 G HA3 -0.265 3.696 3.960 0.001 0.000 0.253 496 G C 0.009 174.847 174.900 -0.103 0.000 0.979 496 G CA -0.379 44.686 45.100 -0.057 0.000 0.641 496 G HN 0.221 nan 8.290 nan 0.000 0.530 497 F N 1.902 121.828 119.950 -0.040 0.000 2.578 497 F HA 0.480 5.008 4.527 0.001 0.000 0.376 497 F C 1.219 176.991 175.800 -0.048 0.000 1.085 497 F CA 0.496 58.473 58.000 -0.039 0.000 1.260 497 F CB 0.684 39.637 39.000 -0.079 0.000 1.095 497 F HN 0.374 nan 8.300 nan 0.000 0.573 498 A N 3.264 126.183 122.820 0.165 0.000 2.351 498 A HA 0.200 4.521 4.320 0.001 0.000 0.257 498 A C 1.113 178.748 177.584 0.085 0.000 1.087 498 A CA -0.687 51.410 52.037 0.101 0.000 0.798 498 A CB 0.295 19.343 19.000 0.081 0.000 1.033 498 A HN 0.765 nan 8.150 nan 0.000 0.488 499 D N 1.584 122.013 120.400 0.048 0.000 2.149 499 D HA -0.136 4.505 4.640 0.001 0.000 0.198 499 D C 2.150 178.463 176.300 0.021 0.000 0.990 499 D CA 1.918 55.928 54.000 0.018 0.000 0.839 499 D CB -0.346 40.461 40.800 0.012 0.000 0.948 499 D HN 0.642 nan 8.370 nan 0.000 0.460 500 A N 0.817 123.658 122.820 0.035 0.000 1.902 500 A HA -0.205 4.116 4.320 0.001 0.000 0.217 500 A C 2.217 179.829 177.584 0.047 0.000 1.181 500 A CA 1.861 53.918 52.037 0.033 0.000 0.623 500 A CB -0.422 18.596 19.000 0.031 0.000 0.818 500 A HN 0.101 nan 8.150 nan 0.000 0.443 501 R N -0.092 120.458 120.500 0.082 0.000 2.075 501 R HA 0.043 4.383 4.340 0.001 0.000 0.232 501 R C 1.912 178.255 176.300 0.071 0.000 1.126 501 R CA 1.455 57.626 56.100 0.118 0.000 0.963 501 R CB -0.668 29.770 30.300 0.230 0.000 0.858 501 R HN 0.502 nan 8.270 nan 0.000 0.435 502 L N -0.025 121.217 121.223 0.031 0.000 2.083 502 L HA -0.097 4.244 4.340 0.001 0.000 0.209 502 L C 2.519 179.367 176.870 -0.036 0.000 1.083 502 L CA 1.233 56.039 54.840 -0.057 0.000 0.752 502 L CB -0.702 41.293 42.059 -0.108 0.000 0.899 502 L HN 0.333 nan 8.230 nan 0.000 0.433 503 A N 0.495 123.307 122.820 -0.013 0.000 1.865 503 A HA -0.241 4.080 4.320 0.001 0.000 0.217 503 A C 2.349 179.932 177.584 -0.002 0.000 1.191 503 A CA 1.851 53.883 52.037 -0.010 0.000 0.623 503 A CB -0.422 18.575 19.000 -0.005 0.000 0.826 503 A HN 0.315 nan 8.150 nan 0.000 0.444 504 K N -0.529 119.877 120.400 0.010 0.000 2.063 504 K HA -0.131 4.190 4.320 0.001 0.000 0.208 504 K C 1.909 178.518 176.600 0.014 0.000 1.048 504 K CA 1.605 57.902 56.287 0.016 0.000 0.928 504 K CB -0.478 32.040 32.500 0.031 0.000 0.713 504 K HN 0.486 nan 8.250 nan 0.000 0.442 505 L N 0.290 121.519 121.223 0.011 0.000 2.093 505 L HA -0.131 4.210 4.340 0.001 0.000 0.208 505 L C 2.482 179.353 176.870 0.002 0.000 1.085 505 L CA 1.094 55.938 54.840 0.007 0.000 0.755 505 L CB -0.415 41.637 42.059 -0.012 0.000 0.904 505 L HN 0.173 nan 8.230 nan 0.000 0.435 506 A N -0.428 122.388 122.820 -0.007 0.000 2.119 506 A HA 0.229 4.550 4.320 0.001 0.000 0.216 506 A C 1.635 179.219 177.584 0.001 0.000 1.152 506 A CA 0.790 52.825 52.037 -0.003 0.000 0.708 506 A CB -0.508 18.484 19.000 -0.012 0.000 0.805 506 A HN 0.509 nan 8.150 nan 0.000 0.460 507 G N -0.906 107.895 108.800 0.001 0.000 2.291 507 G HA2 0.037 3.998 3.960 0.001 0.000 0.271 507 G HA3 0.037 3.998 3.960 0.001 0.000 0.271 507 G C 0.066 174.966 174.900 -0.001 0.000 1.099 507 G CA 0.604 45.705 45.100 0.002 0.000 0.919 507 G HN 1.806 nan 8.290 nan 0.000 0.496 508 V N -4.272 115.639 119.914 -0.004 0.000 3.167 508 V HA 0.931 5.051 4.120 0.001 0.000 0.310 508 V C 0.443 176.533 176.094 -0.008 0.000 1.207 508 V CA -1.992 60.303 62.300 -0.008 0.000 1.059 508 V CB 1.389 33.205 31.823 -0.013 0.000 1.079 508 V HN 0.383 nan 8.190 nan 0.000 0.446 509 R N 0.426 120.921 120.500 -0.009 0.000 2.615 509 R HA 0.309 4.649 4.340 0.001 0.000 0.270 509 R C 1.470 177.764 176.300 -0.011 0.000 1.081 509 R CA 0.358 56.453 56.100 -0.008 0.000 1.154 509 R CB 0.443 30.738 30.300 -0.009 0.000 1.063 509 R HN 0.979 nan 8.270 nan 0.000 0.519 510 E N 1.575 121.771 120.200 -0.007 0.000 2.153 510 E HA -0.226 4.124 4.350 0.001 0.000 0.194 510 E C 1.293 177.887 176.600 -0.011 0.000 0.988 510 E CA 1.415 57.811 56.400 -0.006 0.000 0.811 510 E CB 0.023 29.724 29.700 0.002 0.000 0.746 510 E HN 0.695 nan 8.360 nan 0.000 0.466 511 A N 1.002 123.815 122.820 -0.011 0.000 2.070 511 A HA -0.150 4.170 4.320 0.001 0.000 0.220 511 A C 1.847 179.416 177.584 -0.026 0.000 1.159 511 A CA 1.181 53.210 52.037 -0.014 0.000 0.656 511 A CB -0.263 18.730 19.000 -0.011 0.000 0.800 511 A HN 0.207 nan 8.150 nan 0.000 0.453 512 E N -0.098 120.085 120.200 -0.030 0.000 2.152 512 E HA -0.072 4.278 4.350 0.001 0.000 0.192 512 E C 1.884 178.446 176.600 -0.063 0.000 0.983 512 E CA 0.574 56.949 56.400 -0.042 0.000 0.818 512 E CB -0.260 29.420 29.700 -0.033 0.000 0.758 512 E HN 0.550 nan 8.360 nan 0.000 0.467 513 I N 0.577 121.115 120.570 -0.054 0.000 2.233 513 I HA -0.149 4.022 4.170 0.001 0.000 0.243 513 I C 2.513 178.583 176.117 -0.079 0.000 1.093 513 I CA 0.814 62.073 61.300 -0.068 0.000 1.380 513 I CB -0.809 37.162 38.000 -0.049 0.000 1.067 513 I HN 0.085 nan 8.210 nan 0.000 0.413 514 R N 1.263 121.733 120.500 -0.051 0.000 2.120 514 R HA -0.183 4.158 4.340 0.001 0.000 0.234 514 R C 2.226 178.488 176.300 -0.063 0.000 1.123 514 R CA 1.428 57.503 56.100 -0.041 0.000 0.975 514 R CB 0.002 30.297 30.300 -0.009 0.000 0.866 514 R HN 0.213 nan 8.270 nan 0.000 0.446 515 K N 0.013 120.368 120.400 -0.074 0.000 2.025 515 K HA -0.143 4.178 4.320 0.001 0.000 0.207 515 K C 1.974 178.475 176.600 -0.164 0.000 1.049 515 K CA 1.215 57.450 56.287 -0.087 0.000 0.933 515 K CB -0.202 32.253 32.500 -0.076 0.000 0.714 515 K HN 0.063 nan 8.250 nan 0.000 0.438 516 L N 1.807 122.894 121.223 -0.227 0.000 1.990 516 L HA -0.227 4.113 4.340 0.001 0.000 0.213 516 L C 2.071 178.624 176.870 -0.528 0.000 1.072 516 L CA 1.748 56.319 54.840 -0.448 0.000 0.755 516 L CB -0.431 41.417 42.059 -0.351 0.000 0.889 516 L HN 0.111 nan 8.230 nan 0.000 0.432 517 R N -0.767 119.570 120.500 -0.272 0.000 2.105 517 R HA -0.167 4.174 4.340 0.001 0.000 0.239 517 R C 1.829 178.017 176.300 -0.187 0.000 1.135 517 R CA 1.406 57.396 56.100 -0.184 0.000 0.967 517 R CB -0.488 29.716 30.300 -0.160 0.000 0.861 517 R HN 0.448 nan 8.270 nan 0.000 0.442 518 D N 0.358 120.684 120.400 -0.124 0.000 2.183 518 D HA -0.114 4.527 4.640 0.001 0.000 0.203 518 D C 1.829 178.148 176.300 0.031 0.000 0.969 518 D CA 1.038 55.051 54.000 0.023 0.000 0.842 518 D CB 0.068 40.898 40.800 0.049 0.000 0.957 518 D HN 0.251 nan 8.370 nan 0.000 0.484 519 Q N -0.914 118.838 119.800 -0.080 0.000 2.083 519 Q HA -0.109 4.231 4.340 0.001 0.000 0.198 519 Q C 1.237 177.304 176.000 0.112 0.000 0.969 519 Q CA 0.834 56.603 55.803 -0.056 0.000 0.838 519 Q CB 0.108 28.729 28.738 -0.194 0.000 0.900 519 Q HN 0.324 nan 8.270 nan 0.000 0.436 520 Y N 0.121 120.425 120.300 0.007 0.000 2.511 520 Y HA 0.044 4.594 4.550 0.001 0.000 0.279 520 Y C 0.184 176.101 175.900 0.029 0.000 1.157 520 Y CA 0.313 58.419 58.100 0.011 0.000 1.300 520 Y CB -0.107 38.347 38.460 -0.011 0.000 1.052 520 Y HN 0.140 nan 8.280 nan 0.000 0.529 521 D N -0.110 120.405 120.400 0.192 0.000 2.699 521 D HA -0.197 4.444 4.640 0.001 0.000 0.239 521 D C -0.932 175.467 176.300 0.165 0.000 1.136 521 D CA 0.211 54.342 54.000 0.217 0.000 0.668 521 D CB -1.247 39.676 40.800 0.206 0.000 1.060 521 D HN 0.122 nan 8.370 nan 0.000 0.429 522 L N 2.886 124.078 121.223 -0.052 0.000 2.287 522 L HA 0.439 4.779 4.340 0.001 0.000 0.280 522 L C -0.708 175.993 176.870 -0.283 0.000 1.055 522 L CA -0.283 54.545 54.840 -0.019 0.000 0.863 522 L CB 0.549 42.660 42.059 0.086 0.000 1.245 522 L HN 0.171 nan 8.230 nan 0.000 0.432 523 H N 4.138 123.322 119.070 0.189 0.000 2.865 523 H HA 0.615 5.172 4.556 0.001 0.000 0.372 523 H C -2.542 172.605 175.328 -0.302 0.000 1.173 523 H CA -1.655 54.423 56.048 0.049 0.000 1.147 523 H CB 1.943 31.712 29.762 0.012 0.000 1.805 523 H HN 0.345 nan 8.280 nan 0.000 0.553 524 P HA 0.177 nan 4.420 nan 0.000 0.280 524 P C -0.319 176.651 177.300 -0.550 0.000 1.272 524 P CA -0.550 61.958 63.100 -0.986 0.000 0.819 524 P CB 1.396 32.483 31.700 -1.023 0.000 1.122 525 V N -2.092 117.490 119.914 -0.553 0.000 3.096 525 V HA 0.576 4.697 4.120 0.001 0.000 0.319 525 V C -1.010 174.737 176.094 -0.578 0.000 1.103 525 V CA -0.979 61.110 62.300 -0.351 0.000 1.016 525 V CB 1.111 32.833 31.823 -0.168 0.000 1.090 525 V HN 0.341 nan 8.190 nan 0.000 0.449 526 Y N 1.070 121.297 120.300 -0.121 0.000 2.335 526 Y HA 0.685 5.236 4.550 0.001 0.000 0.338 526 Y C 0.411 176.136 175.900 -0.293 0.000 0.977 526 Y CA -0.738 57.262 58.100 -0.167 0.000 1.114 526 Y CB 1.770 40.233 38.460 0.005 0.000 1.182 526 Y HN 0.512 nan 8.280 nan 0.000 0.463 527 K N 3.301 123.382 120.400 -0.532 0.000 2.139 527 K HA 0.583 4.903 4.320 0.001 0.000 0.243 527 K C -0.302 176.035 176.600 -0.439 0.000 0.983 527 K CA -0.894 55.084 56.287 -0.516 0.000 0.890 527 K CB 1.535 33.692 32.500 -0.573 0.000 1.090 527 K HN 0.701 nan 8.250 nan 0.000 0.445 528 R N 0.175 120.588 120.500 -0.145 0.000 2.732 528 R HA 0.472 4.813 4.340 0.001 0.000 0.278 528 R C -0.343 176.002 176.300 0.075 0.000 0.976 528 R CA -1.078 55.000 56.100 -0.037 0.000 0.963 528 R CB 1.245 31.543 30.300 -0.004 0.000 1.150 528 R HN 0.188 nan 8.270 nan 0.000 0.478 529 V N 2.046 121.938 119.914 -0.038 0.000 2.546 529 V HA 0.049 4.170 4.120 0.001 0.000 0.284 529 V C 0.258 176.398 176.094 0.078 0.000 1.050 529 V CA 0.301 62.586 62.300 -0.025 0.000 0.981 529 V CB 1.279 32.768 31.823 -0.556 0.000 0.990 529 V HN 0.996 nan 8.190 nan 0.000 0.474 530 D N 0.252 120.749 120.400 0.162 0.000 2.480 530 D HA 0.035 4.676 4.640 0.001 0.000 0.276 530 D C 0.871 177.288 176.300 0.195 0.000 1.294 530 D CA 0.755 54.839 54.000 0.140 0.000 0.829 530 D CB -0.022 40.853 40.800 0.125 0.000 1.242 530 D HN 0.783 nan 8.370 nan 0.000 0.513 531 T N -2.039 112.659 114.554 0.241 0.000 7.679 531 T HA -0.359 3.991 4.350 0.001 0.000 0.300 531 T C 0.998 175.919 174.700 0.367 0.000 2.098 531 T CA 1.386 63.688 62.100 0.336 0.000 3.313 531 T CB -2.976 66.213 68.868 0.535 0.000 1.898 531 T HN 0.990 nan 8.240 nan 0.000 1.144 532 C N 0.336 119.799 119.300 0.273 0.000 2.994 532 C HA 0.889 5.350 4.460 0.001 0.000 0.250 532 C C 1.718 176.787 174.990 0.131 0.000 1.814 532 C CA -0.379 58.802 59.018 0.272 0.000 1.730 532 C CB -0.518 27.463 27.740 0.402 0.000 3.258 532 C HN 2.167 nan 8.230 nan 0.000 0.472 533 A N 0.102 122.964 122.820 0.070 0.000 2.771 533 A HA 0.202 4.523 4.320 0.001 0.000 0.294 533 A C 1.663 179.253 177.584 0.009 0.000 1.500 533 A CA 1.788 53.834 52.037 0.015 0.000 0.829 533 A CB -1.811 17.176 19.000 -0.021 0.000 0.998 533 A HN 2.868 nan 8.150 nan 0.000 0.526 534 A N -2.448 120.390 122.820 0.030 0.000 3.021 534 A HA -0.293 4.027 4.320 0.001 0.000 0.257 534 A C 1.109 178.625 177.584 -0.112 0.000 1.277 534 A CA 2.098 54.131 52.037 -0.007 0.000 1.012 534 A CB -2.290 16.711 19.000 0.001 0.000 1.147 534 A HN 1.784 nan 8.150 nan 0.000 0.861 535 E N -1.596 118.480 120.200 -0.206 0.000 2.268 535 E HA 0.116 4.466 4.350 0.001 0.000 0.195 535 E C 0.067 176.034 176.600 -1.055 0.000 0.995 535 E CA 0.911 56.966 56.400 -0.575 0.000 0.836 535 E CB 0.008 29.325 29.700 -0.638 0.000 0.763 535 E HN 0.760 nan 8.360 nan 0.000 0.491 536 F N -0.881 119.055 119.950 -0.023 0.000 2.599 536 F HA 0.534 5.061 4.527 0.001 0.000 0.311 536 F C 0.095 175.879 175.800 -0.026 0.000 1.076 536 F CA -1.084 56.894 58.000 -0.037 0.000 0.937 536 F CB 1.299 40.257 39.000 -0.071 0.000 1.282 536 F HN -0.203 nan 8.300 nan 0.000 0.460 537 A N 0.701 123.611 122.820 0.151 0.000 2.313 537 A HA 0.651 4.972 4.320 0.001 0.000 0.261 537 A C -0.098 177.529 177.584 0.071 0.000 1.090 537 A CA -0.077 52.008 52.037 0.079 0.000 0.807 537 A CB 0.770 19.800 19.000 0.051 0.000 1.055 537 A HN 0.756 nan 8.150 nan 0.000 0.492 538 T N -1.400 113.177 114.554 0.038 0.000 2.906 538 T HA 0.502 4.853 4.350 0.001 0.000 0.295 538 T C -0.670 174.032 174.700 0.004 0.000 1.075 538 T CA -0.581 61.529 62.100 0.017 0.000 1.005 538 T CB 1.357 70.234 68.868 0.016 0.000 1.136 538 T HN 0.502 nan 8.240 nan 0.000 0.498 539 D N 1.603 121.996 120.400 -0.010 0.000 2.469 539 D HA 0.189 4.829 4.640 0.001 0.000 0.213 539 D C 0.077 176.371 176.300 -0.010 0.000 1.135 539 D CA 0.097 54.092 54.000 -0.008 0.000 0.834 539 D CB 0.914 41.709 40.800 -0.009 0.000 1.009 539 D HN 0.478 nan 8.370 nan 0.000 0.507 540 T N 0.617 115.158 114.554 -0.021 0.000 2.922 540 T HA 0.522 4.873 4.350 0.001 0.000 0.285 540 T C 0.275 174.981 174.700 0.009 0.000 1.005 540 T CA -0.445 61.645 62.100 -0.017 0.000 1.061 540 T CB 2.098 70.911 68.868 -0.091 0.000 1.007 540 T HN -0.055 nan 8.240 nan 0.000 0.502 541 A N 2.819 125.652 122.820 0.023 0.000 3.047 541 A HA 0.406 4.727 4.320 0.001 0.000 0.337 541 A C -0.885 176.722 177.584 0.038 0.000 1.143 541 A CA -0.468 51.566 52.037 -0.006 0.000 0.905 541 A CB -0.284 18.681 19.000 -0.059 0.000 1.088 541 A HN 0.702 nan 8.150 nan 0.000 0.488 542 Y N 2.795 123.066 120.300 -0.048 0.000 2.491 542 Y HA 0.707 5.258 4.550 0.001 0.000 0.334 542 Y C -0.519 175.392 175.900 0.017 0.000 0.969 542 Y CA -1.769 56.342 58.100 0.018 0.000 1.241 542 Y CB 0.399 38.916 38.460 0.094 0.000 1.105 542 Y HN 0.560 nan 8.280 nan 0.000 0.503 543 M N 6.453 126.151 119.600 0.163 0.000 2.761 543 M HA 0.563 5.043 4.480 0.001 0.000 0.305 543 M C -1.551 174.942 176.300 0.322 0.000 1.235 543 M CA -1.149 54.194 55.300 0.073 0.000 0.850 543 M CB 2.833 35.373 32.600 -0.099 0.000 1.744 543 M HN 0.480 nan 8.290 nan 0.000 0.480 544 Y N -1.739 118.680 120.300 0.198 0.000 2.534 544 Y HA 0.796 5.347 4.550 0.001 0.000 0.345 544 Y C -0.710 175.295 175.900 0.175 0.000 1.031 544 Y CA -1.368 56.863 58.100 0.219 0.000 1.022 544 Y CB 0.870 39.329 38.460 -0.000 0.000 1.292 544 Y HN 0.744 nan 8.280 nan 0.000 0.459 545 S N 1.481 117.276 115.700 0.159 0.000 2.610 545 S HA 0.765 5.235 4.470 0.001 0.000 0.273 545 S C -0.273 174.263 174.600 -0.106 0.000 1.274 545 S CA 0.065 58.071 58.200 -0.323 0.000 1.023 545 S CB 1.696 64.688 63.200 -0.347 0.000 0.962 545 S HN 1.144 nan 8.310 nan 0.000 0.523 546 T N 0.506 114.889 114.554 -0.285 0.000 2.786 546 T HA 0.413 4.763 4.350 0.001 0.000 0.316 546 T C -2.142 172.413 174.700 -0.241 0.000 1.503 546 T CA -0.634 61.425 62.100 -0.068 0.000 1.019 546 T CB 0.653 69.567 68.868 0.077 0.000 1.415 546 T HN 0.574 nan 8.240 nan 0.000 0.496 547 Y N 2.243 122.534 120.300 -0.015 0.000 2.802 547 Y HA 0.534 5.084 4.550 0.001 0.000 0.330 547 Y C 0.848 176.752 175.900 0.006 0.000 1.193 547 Y CA -0.254 57.841 58.100 -0.010 0.000 1.427 547 Y CB 0.541 39.006 38.460 0.008 0.000 1.357 547 Y HN 0.604 nan 8.280 nan 0.000 0.501 548 E N -0.063 120.146 120.200 0.015 0.000 2.524 548 E HA 0.289 4.640 4.350 0.001 0.000 0.219 548 E C 0.484 177.093 176.600 0.016 0.000 0.776 548 E CA -0.513 55.908 56.400 0.036 0.000 0.944 548 E CB 1.168 30.887 29.700 0.032 0.000 1.719 548 E HN 0.270 nan 8.360 nan 0.000 0.384 549 E N 0.547 120.757 120.200 0.016 0.000 2.065 549 E HA 0.024 4.374 4.350 0.001 0.000 0.191 549 E C -0.117 176.484 176.600 0.003 0.000 0.960 549 E CA 0.486 56.895 56.400 0.015 0.000 0.824 549 E CB 0.153 29.866 29.700 0.021 0.000 0.793 549 E HN 0.353 nan 8.360 nan 0.000 0.459 550 E N 0.574 120.773 120.200 -0.002 0.000 2.227 550 E HA 0.155 4.506 4.350 0.001 0.000 0.282 550 E C -1.122 175.469 176.600 -0.016 0.000 1.015 550 E CA -0.249 56.149 56.400 -0.004 0.000 0.823 550 E CB 1.198 30.898 29.700 0.000 0.000 1.081 550 E HN 0.031 nan 8.360 nan 0.000 0.396 551 C N 4.612 123.911 119.300 -0.002 0.000 2.319 551 C HA 0.320 4.781 4.460 0.001 0.000 0.335 551 C C 0.549 175.553 174.990 0.022 0.000 1.274 551 C CA -0.284 58.741 59.018 0.013 0.000 1.806 551 C CB -0.045 27.722 27.740 0.046 0.000 2.329 551 C HN 0.921 nan 8.230 nan 0.000 0.524 552 E N 3.165 123.380 120.200 0.025 0.000 2.501 552 E HA 0.133 4.484 4.350 0.001 0.000 0.201 552 E C 1.584 178.200 176.600 0.028 0.000 1.016 552 E CA 0.267 56.676 56.400 0.015 0.000 0.920 552 E CB 0.462 30.156 29.700 -0.010 0.000 1.023 552 E HN 0.820 nan 8.360 nan 0.000 0.474 553 A N 2.360 125.224 122.820 0.073 0.000 1.849 553 A HA -0.248 4.073 4.320 0.001 0.000 0.217 553 A C 0.905 178.498 177.584 0.014 0.000 1.202 553 A CA 1.227 53.294 52.037 0.049 0.000 0.629 553 A CB -0.404 18.648 19.000 0.088 0.000 0.834 553 A HN 0.346 nan 8.150 nan 0.000 0.447 554 N N -0.867 117.848 118.700 0.025 0.000 2.714 554 N HA -0.103 4.637 4.740 0.001 0.000 0.253 554 N C -2.550 172.967 175.510 0.011 0.000 1.024 554 N CA 1.131 54.190 53.050 0.015 0.000 0.726 554 N CB -1.910 36.582 38.487 0.008 0.000 0.908 554 N HN 0.448 nan 8.380 nan 0.000 0.542 555 P HA 0.058 nan 4.420 nan 0.000 0.267 555 P C 0.350 177.657 177.300 0.013 0.000 1.200 555 P CA -0.023 63.087 63.100 0.017 0.000 0.772 555 P CB 0.500 32.210 31.700 0.017 0.000 0.855 556 S N 0.080 115.789 115.700 0.015 0.000 2.592 556 S HA 0.298 4.769 4.470 0.001 0.000 0.271 556 S C 0.982 175.589 174.600 0.013 0.000 1.326 556 S CA 0.303 58.511 58.200 0.013 0.000 1.024 556 S CB 0.515 63.724 63.200 0.015 0.000 0.921 556 S HN 0.650 nan 8.310 nan 0.000 0.527 557 T N -2.302 112.258 114.554 0.010 0.000 2.975 557 T HA 0.135 4.486 4.350 0.001 0.000 0.257 557 T C 0.965 175.670 174.700 0.009 0.000 1.003 557 T CA 0.375 62.480 62.100 0.009 0.000 0.932 557 T CB -0.159 68.713 68.868 0.006 0.000 1.087 557 T HN 0.550 nan 8.240 nan 0.000 0.512 558 D N 2.409 122.814 120.400 0.009 0.000 2.095 558 D HA -0.072 4.569 4.640 0.001 0.000 0.192 558 D C 1.143 177.448 176.300 0.008 0.000 0.990 558 D CA 1.235 55.239 54.000 0.007 0.000 0.836 558 D CB 0.131 40.935 40.800 0.007 0.000 0.979 558 D HN 0.441 nan 8.370 nan 0.000 0.447 559 R N 0.119 120.629 120.500 0.016 0.000 2.606 559 R HA 0.415 4.755 4.340 0.001 0.000 0.249 559 R C 0.004 176.333 176.300 0.049 0.000 1.127 559 R CA -0.599 55.516 56.100 0.025 0.000 1.133 559 R CB 0.400 30.719 30.300 0.032 0.000 1.243 559 R HN 0.181 nan 8.270 nan 0.000 0.558 560 E N 1.812 122.061 120.200 0.083 0.000 2.130 560 E HA 0.152 4.502 4.350 0.001 0.000 0.284 560 E C -0.749 175.975 176.600 0.207 0.000 1.018 560 E CA -0.231 56.261 56.400 0.153 0.000 0.817 560 E CB 1.320 31.163 29.700 0.237 0.000 1.078 560 E HN 0.171 nan 8.360 nan 0.000 0.396 561 K N 2.685 123.154 120.400 0.114 0.000 2.110 561 K HA 0.494 4.815 4.320 0.001 0.000 0.263 561 K C -0.316 176.283 176.600 -0.001 0.000 0.975 561 K CA -0.701 55.631 56.287 0.075 0.000 0.895 561 K CB 1.474 33.999 32.500 0.042 0.000 1.060 561 K HN 0.285 nan 8.250 nan 0.000 0.448 562 I N 3.069 123.615 120.570 -0.039 0.000 2.447 562 I HA 0.292 4.463 4.170 0.001 0.000 0.287 562 I C -0.627 175.445 176.117 -0.075 0.000 1.023 562 I CA -0.537 60.684 61.300 -0.131 0.000 1.083 562 I CB 1.589 39.424 38.000 -0.275 0.000 1.245 562 I HN 0.715 nan 8.210 nan 0.000 0.434 563 M N 6.713 126.266 119.600 -0.077 0.000 2.404 563 M HA 0.602 5.082 4.480 0.001 0.000 0.338 563 M C -1.467 174.793 176.300 -0.067 0.000 1.150 563 M CA -0.540 54.730 55.300 -0.050 0.000 1.016 563 M CB 1.815 34.386 32.600 -0.049 0.000 1.672 563 M HN 0.285 nan 8.290 nan 0.000 0.448 564 V N 6.177 126.067 119.914 -0.039 0.000 2.444 564 V HA 0.432 4.552 4.120 0.001 0.000 0.294 564 V C -0.546 175.542 176.094 -0.010 0.000 1.022 564 V CA -0.731 61.548 62.300 -0.034 0.000 0.850 564 V CB 1.617 33.434 31.823 -0.011 0.000 0.992 564 V HN 0.780 nan 8.190 nan 0.000 0.426 565 L N 4.544 125.761 121.223 -0.010 0.000 2.272 565 L HA 0.655 4.996 4.340 0.001 0.000 0.289 565 L C 1.088 177.967 176.870 0.014 0.000 1.032 565 L CA -0.198 54.638 54.840 -0.007 0.000 0.810 565 L CB 1.319 43.366 42.059 -0.020 0.000 1.205 565 L HN 0.771 nan 8.230 nan 0.000 0.422 566 G N 1.559 110.357 108.800 -0.004 0.000 2.553 566 G HA2 0.358 4.319 3.960 0.001 0.000 0.278 566 G HA3 0.358 4.319 3.960 0.001 0.000 0.278 566 G C 0.741 175.630 174.900 -0.019 0.000 1.349 566 G CA 0.133 45.232 45.100 -0.002 0.000 1.037 566 G HN 0.766 nan 8.290 nan 0.000 0.508 567 G N -1.818 106.966 108.800 -0.026 0.000 3.324 567 G HA2 0.542 4.503 3.960 0.001 0.000 0.251 567 G HA3 0.542 4.503 3.960 0.001 0.000 0.251 567 G C 0.901 175.764 174.900 -0.062 0.000 1.072 567 G CA 0.839 45.907 45.100 -0.055 0.000 0.787 567 G HN 1.837 nan 8.290 nan 0.000 0.537 568 G N 0.835 109.595 108.800 -0.068 0.000 2.562 568 G HA2 -0.172 3.789 3.960 0.001 0.000 0.250 568 G HA3 -0.172 3.789 3.960 0.001 0.000 0.250 568 G C -2.462 172.403 174.900 -0.060 0.000 1.269 568 G CA -0.313 44.744 45.100 -0.072 0.000 0.919 568 G HN 0.359 nan 8.290 nan 0.000 0.574 569 P HA 0.224 nan 4.420 nan 0.000 0.269 569 P C -0.108 177.170 177.300 -0.037 0.000 1.209 569 P CA -0.029 63.045 63.100 -0.042 0.000 0.776 569 P CB 0.147 31.823 31.700 -0.040 0.000 0.876 570 N N 1.882 120.563 118.700 -0.031 0.000 2.513 570 N HA 0.477 5.218 4.740 0.001 0.000 0.274 570 N C 0.086 175.580 175.510 -0.025 0.000 1.189 570 N CA -0.325 52.718 53.050 -0.012 0.000 0.975 570 N CB 0.511 39.002 38.487 0.006 0.000 1.157 570 N HN 0.312 nan 8.380 nan 0.000 0.465 571 R N 0.183 120.674 120.500 -0.014 0.000 2.831 571 R HA 0.505 4.845 4.340 0.001 0.000 0.266 571 R C -0.826 175.472 176.300 -0.002 0.000 1.051 571 R CA -0.848 55.240 56.100 -0.020 0.000 0.943 571 R CB 0.730 31.010 30.300 -0.032 0.000 1.228 571 R HN 0.416 nan 8.270 nan 0.000 0.467 572 I N 1.607 122.174 120.570 -0.005 0.000 2.618 572 I HA 0.161 4.331 4.170 0.001 0.000 0.284 572 I C 1.182 177.285 176.117 -0.023 0.000 1.146 572 I CA 1.650 62.946 61.300 -0.007 0.000 1.425 572 I CB 0.603 38.596 38.000 -0.011 0.000 1.383 572 I HN 0.947 nan 8.210 nan 0.000 0.562 573 G N 4.608 113.413 108.800 0.008 0.000 2.241 573 G HA2 -0.219 3.741 3.960 0.001 0.000 0.244 573 G HA3 -0.219 3.741 3.960 0.001 0.000 0.244 573 G C 0.366 175.360 174.900 0.156 0.000 0.998 573 G CA -0.337 44.788 45.100 0.042 0.000 0.621 573 G HN 0.541 nan 8.290 nan 0.000 0.519 574 Q N 1.055 120.919 119.800 0.107 0.000 2.831 574 Q HA 0.514 4.854 4.340 0.001 0.000 0.366 574 Q C 0.844 176.972 176.000 0.214 0.000 0.899 574 Q CA 0.370 56.230 55.803 0.096 0.000 0.987 574 Q CB 0.746 29.423 28.738 -0.102 0.000 1.382 574 Q HN 0.559 nan 8.270 nan 0.000 0.403 575 G N 0.203 109.191 108.800 0.314 0.000 2.630 575 G HA2 0.273 4.234 3.960 0.001 0.000 0.223 575 G HA3 0.273 4.234 3.960 0.001 0.000 0.223 575 G C 0.822 175.827 174.900 0.175 0.000 1.434 575 G CA -0.528 44.674 45.100 0.170 0.000 1.057 575 G HN 0.412 nan 8.290 nan 0.000 0.570 576 I N -0.103 120.507 120.570 0.068 0.000 2.361 576 I HA -0.147 4.023 4.170 0.001 0.000 0.251 576 I C 2.648 178.773 176.117 0.014 0.000 1.133 576 I CA 1.517 62.847 61.300 0.051 0.000 1.413 576 I CB -0.036 37.985 38.000 0.035 0.000 1.073 576 I HN 0.525 nan 8.210 nan 0.000 0.424 577 E N 0.559 120.682 120.200 -0.128 0.000 2.147 577 E HA -0.261 4.090 4.350 0.001 0.000 0.199 577 E C 1.827 178.237 176.600 -0.316 0.000 1.005 577 E CA 1.845 58.045 56.400 -0.332 0.000 0.810 577 E CB -0.419 28.938 29.700 -0.571 0.000 0.736 577 E HN 0.522 nan 8.360 nan 0.000 0.460 578 F N 0.262 120.210 119.950 -0.004 0.000 2.293 578 F HA -0.014 4.514 4.527 0.001 0.000 0.297 578 F C 2.033 177.845 175.800 0.021 0.000 1.089 578 F CA 1.082 59.078 58.000 -0.007 0.000 1.377 578 F CB -0.383 38.613 39.000 -0.007 0.000 1.051 578 F HN -0.014 nan 8.300 nan 0.000 0.511 579 D N -0.947 119.570 120.400 0.195 0.000 2.097 579 D HA -0.259 4.381 4.640 0.001 0.000 0.197 579 D C 2.182 178.544 176.300 0.103 0.000 0.984 579 D CA 1.039 55.117 54.000 0.129 0.000 0.826 579 D CB -0.286 40.571 40.800 0.095 0.000 0.973 579 D HN 0.261 nan 8.370 nan 0.000 0.460 580 Y N 0.542 120.805 120.300 -0.063 0.000 2.114 580 Y HA -0.328 4.223 4.550 0.001 0.000 0.282 580 Y C 2.222 178.004 175.900 -0.196 0.000 1.165 580 Y CA 1.670 59.681 58.100 -0.149 0.000 1.148 580 Y CB -0.563 37.773 38.460 -0.207 0.000 0.972 580 Y HN 0.153 nan 8.280 nan 0.000 0.504 581 C N -0.890 118.441 119.300 0.051 0.000 2.429 581 C HA -0.211 4.250 4.460 0.001 0.000 0.277 581 C C 3.018 178.052 174.990 0.073 0.000 1.262 581 C CA 1.124 60.080 59.018 -0.102 0.000 1.733 581 C CB -1.656 25.869 27.740 -0.359 0.000 2.010 581 C HN 0.809 nan 8.230 nan 0.000 0.483 582 C N -0.008 119.384 119.300 0.155 0.000 2.413 582 C HA -0.097 4.364 4.460 0.001 0.000 0.276 582 C C 2.733 177.815 174.990 0.153 0.000 1.248 582 C CA 1.157 60.316 59.018 0.235 0.000 1.742 582 C CB -1.315 26.519 27.740 0.156 0.000 2.017 582 C HN 0.540 nan 8.230 nan 0.000 0.481 583 V N -0.290 119.664 119.914 0.067 0.000 2.295 583 V HA -0.269 3.852 4.120 0.001 0.000 0.246 583 V C 2.283 178.445 176.094 0.114 0.000 1.049 583 V CA 2.104 64.435 62.300 0.051 0.000 1.024 583 V CB -0.934 30.883 31.823 -0.010 0.000 0.648 583 V HN 0.659 nan 8.190 nan 0.000 0.447 584 H N -0.502 118.507 119.070 -0.102 0.000 2.387 584 H HA -0.171 4.386 4.556 0.001 0.000 0.299 584 H C 2.316 177.665 175.328 0.035 0.000 1.099 584 H CA 1.152 57.154 56.048 -0.077 0.000 1.315 584 H CB 0.082 29.767 29.762 -0.128 0.000 1.380 584 H HN 0.492 nan 8.280 nan 0.000 0.513 585 A N 0.231 123.199 122.820 0.248 0.000 1.877 585 A HA -0.210 4.111 4.320 0.001 0.000 0.216 585 A C 2.574 180.196 177.584 0.063 0.000 1.186 585 A CA 1.763 53.897 52.037 0.163 0.000 0.620 585 A CB -0.823 18.254 19.000 0.128 0.000 0.822 585 A HN 0.390 nan 8.150 nan 0.000 0.443 586 S N -0.225 115.514 115.700 0.064 0.000 2.353 586 S HA -0.147 4.324 4.470 0.001 0.000 0.222 586 S C 1.985 176.603 174.600 0.030 0.000 1.035 586 S CA 1.670 59.893 58.200 0.037 0.000 1.025 586 S CB -0.603 62.620 63.200 0.038 0.000 0.902 586 S HN 0.468 nan 8.310 nan 0.000 0.440 587 L N 1.112 122.345 121.223 0.017 0.000 2.046 587 L HA -0.046 4.294 4.340 0.001 0.000 0.208 587 L C 3.018 179.879 176.870 -0.016 0.000 1.077 587 L CA 1.277 56.108 54.840 -0.015 0.000 0.747 587 L CB -0.880 41.138 42.059 -0.069 0.000 0.896 587 L HN 0.423 nan 8.230 nan 0.000 0.432 588 A N 0.585 123.396 122.820 -0.016 0.000 1.855 588 A HA -0.115 4.205 4.320 0.001 0.000 0.215 588 A C 2.239 179.855 177.584 0.055 0.000 1.191 588 A CA 1.362 53.400 52.037 0.001 0.000 0.613 588 A CB -0.793 18.213 19.000 0.009 0.000 0.829 588 A HN 0.360 nan 8.150 nan 0.000 0.442 589 L N -0.933 120.334 121.223 0.074 0.000 2.275 589 L HA -0.111 4.229 4.340 0.001 0.000 0.215 589 L C 2.701 179.695 176.870 0.207 0.000 1.119 589 L CA 1.392 56.334 54.840 0.170 0.000 0.790 589 L CB -0.474 41.615 42.059 0.049 0.000 0.919 589 L HN 0.490 nan 8.230 nan 0.000 0.443 590 R N 0.892 121.455 120.500 0.106 0.000 2.093 590 R HA -0.194 4.146 4.340 0.001 0.000 0.224 590 R C 2.163 178.495 176.300 0.055 0.000 1.101 590 R CA 1.463 57.614 56.100 0.086 0.000 0.979 590 R CB 0.047 30.379 30.300 0.054 0.000 0.877 590 R HN 0.332 nan 8.270 nan 0.000 0.441 591 E N 0.378 120.601 120.200 0.039 0.000 2.204 591 E HA -0.161 4.189 4.350 0.001 0.000 0.194 591 E C 0.826 177.432 176.600 0.010 0.000 0.989 591 E CA 1.573 57.982 56.400 0.014 0.000 0.824 591 E CB 0.025 29.725 29.700 -0.001 0.000 0.756 591 E HN 0.284 nan 8.360 nan 0.000 0.477 592 D N -1.041 119.383 120.400 0.040 0.000 2.347 592 D HA 0.090 4.731 4.640 0.001 0.000 0.215 592 D C 1.006 177.245 176.300 -0.101 0.000 0.976 592 D CA 1.165 55.169 54.000 0.008 0.000 0.884 592 D CB 0.584 41.447 40.800 0.105 0.000 0.915 592 D HN 0.384 nan 8.370 nan 0.000 0.526 593 G N -1.244 107.511 108.800 -0.077 0.000 2.192 593 G HA2 -0.234 3.726 3.960 0.001 0.000 0.193 593 G HA3 -0.234 3.726 3.960 0.001 0.000 0.193 593 G C -0.063 174.735 174.900 -0.170 0.000 0.999 593 G CA -0.538 44.474 45.100 -0.147 0.000 0.659 593 G HN 0.221 nan 8.290 nan 0.000 0.503 594 Y N 0.742 121.039 120.300 -0.005 0.000 2.298 594 Y HA 0.550 5.100 4.550 0.001 0.000 0.329 594 Y C 0.947 176.847 175.900 -0.001 0.000 1.293 594 Y CA -0.324 57.774 58.100 -0.004 0.000 1.388 594 Y CB 0.704 39.160 38.460 -0.007 0.000 1.309 594 Y HN 0.142 nan 8.280 nan 0.000 0.544 595 E N 1.293 121.609 120.200 0.195 0.000 2.081 595 E HA 0.175 4.526 4.350 0.001 0.000 0.281 595 E C -0.950 175.709 176.600 0.099 0.000 0.986 595 E CA -0.556 55.908 56.400 0.108 0.000 0.796 595 E CB 0.468 30.213 29.700 0.075 0.000 1.085 595 E HN 0.662 nan 8.360 nan 0.000 0.398 596 T N 2.539 117.140 114.554 0.079 0.000 2.806 596 T HA 0.478 4.829 4.350 0.001 0.000 0.290 596 T C 0.187 174.917 174.700 0.051 0.000 0.966 596 T CA -0.667 61.465 62.100 0.053 0.000 1.060 596 T CB 0.431 69.328 68.868 0.047 0.000 0.927 596 T HN 0.313 nan 8.240 nan 0.000 0.485 597 I N 3.650 124.249 120.570 0.049 0.000 2.389 597 I HA 0.422 4.592 4.170 0.001 0.000 0.288 597 I C -0.246 175.916 176.117 0.075 0.000 0.999 597 I CA -1.015 60.337 61.300 0.086 0.000 1.129 597 I CB 1.830 39.901 38.000 0.119 0.000 1.288 597 I HN 0.566 nan 8.210 nan 0.000 0.444 598 M N 7.811 127.465 119.600 0.090 0.000 2.268 598 M HA 0.518 4.999 4.480 0.001 0.000 0.344 598 M C -1.368 174.990 176.300 0.098 0.000 1.106 598 M CA -0.360 54.977 55.300 0.063 0.000 1.010 598 M CB 1.554 34.173 32.600 0.031 0.000 1.649 598 M HN 0.302 nan 8.290 nan 0.000 0.443 599 V N 5.665 125.609 119.914 0.050 0.000 2.349 599 V HA 0.691 4.812 4.120 0.001 0.000 0.284 599 V C -0.574 175.497 176.094 -0.039 0.000 1.014 599 V CA -0.549 61.774 62.300 0.039 0.000 0.826 599 V CB 0.843 32.674 31.823 0.014 0.000 1.009 599 V HN 0.943 nan 8.190 nan 0.000 0.431 600 N N 2.767 121.395 118.700 -0.120 0.000 3.185 600 N HA 0.460 5.200 4.740 0.001 0.000 0.238 600 N C -0.479 174.690 175.510 -0.567 0.000 1.451 600 N CA -0.175 52.732 53.050 -0.239 0.000 0.888 600 N CB 1.939 40.313 38.487 -0.188 0.000 1.413 600 N HN 0.640 nan 8.380 nan 0.000 0.511 601 C N -0.150 118.800 119.300 -0.583 0.000 3.395 601 C HA 0.531 4.991 4.460 0.001 0.000 0.264 601 C C -0.097 174.648 174.990 -0.407 0.000 2.141 601 C CA -1.043 57.449 59.018 -0.877 0.000 1.689 601 C CB -1.580 25.998 27.740 -0.269 0.000 3.416 601 C HN 0.566 nan 8.230 nan 0.000 0.432 602 N N 2.916 121.422 118.700 -0.324 0.000 2.420 602 N HA 0.362 5.103 4.740 0.001 0.000 0.249 602 N C -1.343 174.158 175.510 -0.014 0.000 1.033 602 N CA -2.052 50.936 53.050 -0.103 0.000 0.944 602 N CB 1.895 40.324 38.487 -0.096 0.000 1.113 602 N HN 0.229 nan 8.380 nan 0.000 0.502 603 P HA -0.014 nan 4.420 nan 0.000 0.229 603 P C 0.373 177.614 177.300 -0.098 0.000 1.160 603 P CA 0.987 64.168 63.100 0.137 0.000 0.777 603 P CB 0.530 32.295 31.700 0.108 0.000 0.814 604 E N -0.213 119.928 120.200 -0.098 0.000 2.358 604 E HA -0.015 4.336 4.350 0.001 0.000 0.195 604 E C 0.736 177.239 176.600 -0.162 0.000 1.010 604 E CA 0.548 56.862 56.400 -0.142 0.000 0.856 604 E CB -0.114 29.531 29.700 -0.092 0.000 0.795 604 E HN 0.381 nan 8.360 nan 0.000 0.504 605 T N -2.612 111.850 114.554 -0.154 0.000 2.902 605 T HA 0.194 4.545 4.350 0.001 0.000 0.280 605 T C 1.261 175.905 174.700 -0.092 0.000 0.992 605 T CA -0.798 61.251 62.100 -0.085 0.000 1.015 605 T CB 1.837 70.677 68.868 -0.045 0.000 1.044 605 T HN -0.240 nan 8.240 nan 0.000 0.520 606 V N 1.593 121.538 119.914 0.052 0.000 2.667 606 V HA -0.116 4.005 4.120 0.001 0.000 0.252 606 V C 2.975 179.082 176.094 0.022 0.000 1.065 606 V CA 1.895 64.261 62.300 0.110 0.000 1.083 606 V CB -0.948 30.942 31.823 0.110 0.000 0.692 606 V HN 1.105 nan 8.190 nan 0.000 0.468 607 S N 0.954 116.649 115.700 -0.008 0.000 2.399 607 S HA -0.181 4.290 4.470 0.001 0.000 0.231 607 S C 1.785 176.348 174.600 -0.061 0.000 1.022 607 S CA 1.640 59.826 58.200 -0.023 0.000 0.983 607 S CB -0.770 62.419 63.200 -0.018 0.000 0.803 607 S HN 0.702 nan 8.310 nan 0.000 0.480 608 T N -0.927 113.570 114.554 -0.096 0.000 3.235 608 T HA 0.208 4.559 4.350 0.001 0.000 0.251 608 T C -0.050 174.572 174.700 -0.130 0.000 1.060 608 T CA -0.314 61.730 62.100 -0.094 0.000 0.949 608 T CB -0.303 68.537 68.868 -0.046 0.000 1.020 608 T HN 0.274 nan 8.240 nan 0.000 0.564 609 D N 1.597 121.920 120.400 -0.128 0.000 2.295 609 D HA 0.077 4.718 4.640 0.001 0.000 0.248 609 D C 1.135 177.293 176.300 -0.236 0.000 1.154 609 D CA -0.950 52.950 54.000 -0.167 0.000 0.857 609 D CB 0.733 41.533 40.800 -0.000 0.000 1.117 609 D HN 0.443 nan 8.370 nan 0.000 0.468 610 Y N 2.090 122.311 120.300 -0.132 0.000 2.365 610 Y HA -0.127 4.423 4.550 0.001 0.000 0.287 610 Y C 1.214 177.096 175.900 -0.030 0.000 1.162 610 Y CA 0.890 58.913 58.100 -0.129 0.000 1.260 610 Y CB -0.462 37.932 38.460 -0.110 0.000 0.976 610 Y HN 0.241 nan 8.280 nan 0.000 0.548 611 D N 0.075 120.369 120.400 -0.176 0.000 2.317 611 D HA -0.065 4.575 4.640 0.001 0.000 0.211 611 D C 1.656 177.954 176.300 -0.003 0.000 0.966 611 D CA 1.352 55.343 54.000 -0.014 0.000 0.876 611 D CB -0.112 40.633 40.800 -0.091 0.000 0.927 611 D HN 0.498 nan 8.370 nan 0.000 0.519 612 T N -0.428 114.111 114.554 -0.025 0.000 3.023 612 T HA -0.001 4.349 4.350 0.001 0.000 0.266 612 T C 1.074 175.783 174.700 0.016 0.000 1.093 612 T CA 0.471 62.569 62.100 -0.003 0.000 1.129 612 T CB 0.197 69.061 68.868 -0.007 0.000 0.899 612 T HN 0.183 nan 8.240 nan 0.000 0.491 613 S N -0.240 115.476 115.700 0.026 0.000 2.661 613 S HA 0.443 4.914 4.470 0.001 0.000 0.285 613 S C -0.098 174.529 174.600 0.046 0.000 1.138 613 S CA -0.933 57.288 58.200 0.035 0.000 0.855 613 S CB 1.784 65.004 63.200 0.032 0.000 1.136 613 S HN -0.120 nan 8.310 nan 0.000 0.484 614 D N 0.695 121.121 120.400 0.043 0.000 2.123 614 D HA 0.074 4.715 4.640 0.001 0.000 0.200 614 D C 0.196 176.512 176.300 0.027 0.000 0.976 614 D CA 1.189 55.213 54.000 0.040 0.000 0.831 614 D CB 0.094 40.917 40.800 0.040 0.000 0.974 614 D HN 0.464 nan 8.370 nan 0.000 0.469 615 R N -0.019 120.491 120.500 0.017 0.000 2.538 615 R HA 0.474 4.814 4.340 0.001 0.000 0.292 615 R C -1.271 175.012 176.300 -0.029 0.000 1.008 615 R CA -0.756 55.321 56.100 -0.037 0.000 0.896 615 R CB 2.337 32.596 30.300 -0.068 0.000 1.187 615 R HN -0.098 nan 8.270 nan 0.000 0.440 616 L N 2.962 124.149 121.223 -0.060 0.000 2.325 616 L HA 0.471 4.812 4.340 0.001 0.000 0.281 616 L C -1.662 175.209 176.870 0.001 0.000 1.004 616 L CA -0.485 54.365 54.840 0.016 0.000 0.823 616 L CB 0.957 43.028 42.059 0.020 0.000 1.236 616 L HN 0.532 nan 8.230 nan 0.000 0.415 617 Y N 5.313 125.693 120.300 0.132 0.000 2.417 617 Y HA 0.326 4.876 4.550 0.001 0.000 0.336 617 Y C -0.429 175.604 175.900 0.221 0.000 0.961 617 Y CA -0.221 57.989 58.100 0.182 0.000 1.215 617 Y CB 1.092 39.594 38.460 0.070 0.000 1.120 617 Y HN 0.555 nan 8.280 nan 0.000 0.499 618 F N 4.676 124.841 119.950 0.357 0.000 2.652 618 F HA 0.245 4.773 4.527 0.001 0.000 0.352 618 F C 0.013 175.959 175.800 0.243 0.000 1.259 618 F CA -0.082 58.088 58.000 0.284 0.000 1.249 618 F CB -0.315 38.913 39.000 0.380 0.000 1.628 618 F HN 0.422 nan 8.300 nan 0.000 0.654 619 E N 3.803 124.131 120.200 0.214 0.000 2.359 619 E HA 0.386 4.737 4.350 0.001 0.000 0.266 619 E C -2.645 174.000 176.600 0.075 0.000 0.920 619 E CA -2.369 54.155 56.400 0.207 0.000 0.788 619 E CB 1.463 31.301 29.700 0.230 0.000 1.279 619 E HN 0.065 nan 8.360 nan 0.000 0.438 620 P HA 0.022 nan 4.420 nan 0.000 0.267 620 P C -0.073 177.240 177.300 0.022 0.000 1.205 620 P CA 0.007 63.133 63.100 0.044 0.000 0.765 620 P CB 0.341 32.074 31.700 0.056 0.000 0.828 621 V N 3.649 123.559 119.914 -0.008 0.000 2.096 621 V HA 0.133 4.254 4.120 0.001 0.000 0.259 621 V C 1.034 177.123 176.094 -0.010 0.000 1.420 621 V CA 0.068 62.359 62.300 -0.016 0.000 1.336 621 V CB -1.136 30.666 31.823 -0.035 0.000 1.394 621 V HN 0.648 nan 8.190 nan 0.000 0.494 622 T N -0.718 113.838 114.554 0.005 0.000 2.940 622 T HA 0.547 4.898 4.350 0.001 0.000 0.288 622 T C 0.776 175.480 174.700 0.007 0.000 1.045 622 T CA -0.647 61.457 62.100 0.007 0.000 1.018 622 T CB 2.161 71.041 68.868 0.021 0.000 1.151 622 T HN 0.111 nan 8.240 nan 0.000 0.529 623 L N 0.706 121.933 121.223 0.006 0.000 2.046 623 L HA 0.061 4.402 4.340 0.001 0.000 0.208 623 L C 2.655 179.537 176.870 0.019 0.000 1.077 623 L CA 2.301 57.145 54.840 0.006 0.000 0.747 623 L CB -0.856 41.204 42.059 0.003 0.000 0.896 623 L HN 0.996 nan 8.230 nan 0.000 0.432 624 E N -0.567 119.652 120.200 0.031 0.000 2.038 624 E HA -0.272 4.079 4.350 0.001 0.000 0.195 624 E C 1.721 178.360 176.600 0.064 0.000 1.000 624 E CA 1.902 58.333 56.400 0.051 0.000 0.803 624 E CB -0.249 29.488 29.700 0.061 0.000 0.750 624 E HN 0.619 nan 8.360 nan 0.000 0.448 625 D N 0.063 120.500 120.400 0.062 0.000 2.144 625 D HA -0.129 4.512 4.640 0.001 0.000 0.199 625 D C 2.136 178.458 176.300 0.037 0.000 0.984 625 D CA 1.141 55.186 54.000 0.074 0.000 0.834 625 D CB 0.057 40.908 40.800 0.085 0.000 0.955 625 D HN 0.171 nan 8.370 nan 0.000 0.465 626 V N 1.409 121.327 119.914 0.007 0.000 2.548 626 V HA -0.146 3.974 4.120 0.001 0.000 0.249 626 V C 2.579 178.650 176.094 -0.038 0.000 1.055 626 V CA 0.766 63.045 62.300 -0.035 0.000 1.065 626 V CB -0.268 31.534 31.823 -0.035 0.000 0.681 626 V HN 0.172 nan 8.190 nan 0.000 0.462 627 L N -0.501 120.720 121.223 -0.002 0.000 2.093 627 L HA -0.106 4.235 4.340 0.001 0.000 0.208 627 L C 2.727 179.606 176.870 0.014 0.000 1.085 627 L CA 1.179 56.021 54.840 0.003 0.000 0.755 627 L CB -0.537 41.537 42.059 0.026 0.000 0.904 627 L HN 0.323 nan 8.230 nan 0.000 0.435 628 E N 0.375 120.609 120.200 0.056 0.000 2.077 628 E HA -0.199 4.151 4.350 0.001 0.000 0.193 628 E C 2.238 178.858 176.600 0.035 0.000 0.989 628 E CA 1.306 57.770 56.400 0.106 0.000 0.800 628 E CB -0.183 29.630 29.700 0.188 0.000 0.746 628 E HN 0.539 nan 8.360 nan 0.000 0.452 629 I N 0.464 120.976 120.570 -0.096 0.000 2.315 629 I HA -0.200 3.970 4.170 0.001 0.000 0.248 629 I C 2.384 178.333 176.117 -0.280 0.000 1.117 629 I CA 0.521 61.579 61.300 -0.403 0.000 1.404 629 I CB -0.106 37.487 38.000 -0.677 0.000 1.071 629 I HN -0.081 nan 8.210 nan 0.000 0.419 630 V N 0.722 120.539 119.914 -0.163 0.000 2.453 630 V HA -0.236 3.884 4.120 0.001 0.000 0.247 630 V C 2.630 178.677 176.094 -0.078 0.000 1.048 630 V CA 1.581 63.816 62.300 -0.108 0.000 1.049 630 V CB -0.699 31.081 31.823 -0.073 0.000 0.672 630 V HN 0.402 nan 8.190 nan 0.000 0.457 631 R N 0.543 121.005 120.500 -0.063 0.000 2.113 631 R HA -0.225 4.116 4.340 0.001 0.000 0.244 631 R C 2.224 178.485 176.300 -0.064 0.000 1.142 631 R CA 2.651 58.718 56.100 -0.055 0.000 0.953 631 R CB -0.332 29.938 30.300 -0.051 0.000 0.860 631 R HN 0.722 nan 8.270 nan 0.000 0.438 632 I N -2.748 117.780 120.570 -0.069 0.000 3.035 632 I HA 0.080 4.251 4.170 0.001 0.000 0.271 632 I C 1.468 177.555 176.117 -0.050 0.000 1.190 632 I CA 0.520 61.788 61.300 -0.053 0.000 1.472 632 I CB -0.028 37.956 38.000 -0.028 0.000 1.116 632 I HN -0.062 nan 8.210 nan 0.000 0.443 633 E N 2.022 122.177 120.200 -0.075 0.000 2.122 633 E HA -0.028 4.323 4.350 0.001 0.000 0.190 633 E C 0.208 176.791 176.600 -0.029 0.000 0.977 633 E CA 0.317 56.692 56.400 -0.043 0.000 0.820 633 E CB -0.053 29.617 29.700 -0.050 0.000 0.770 633 E HN 0.471 nan 8.360 nan 0.000 0.462 634 K N 1.062 121.438 120.400 -0.040 0.000 3.419 634 K HA -0.136 4.185 4.320 0.001 0.000 0.272 634 K C -2.443 174.146 176.600 -0.018 0.000 0.973 634 K CA 0.096 56.366 56.287 -0.027 0.000 0.749 634 K CB -1.244 31.246 32.500 -0.018 0.000 1.403 634 K HN 0.202 nan 8.250 nan 0.000 0.456 635 P HA -0.080 nan 4.420 nan 0.000 0.271 635 P C 0.508 177.798 177.300 -0.017 0.000 1.244 635 P CA -0.094 62.994 63.100 -0.020 0.000 0.793 635 P CB 0.737 32.414 31.700 -0.038 0.000 0.984 636 K N -0.423 119.969 120.400 -0.014 0.000 2.128 636 K HA 0.129 4.449 4.320 0.001 0.000 0.202 636 K C 0.725 177.300 176.600 -0.040 0.000 1.050 636 K CA 0.935 57.215 56.287 -0.011 0.000 0.966 636 K CB -0.164 32.348 32.500 0.020 0.000 0.759 636 K HN 0.667 nan 8.250 nan 0.000 0.454 637 G N 0.038 108.794 108.800 -0.073 0.000 2.696 637 G HA2 0.496 4.456 3.960 0.001 0.000 0.295 637 G HA3 0.496 4.456 3.960 0.001 0.000 0.295 637 G C -1.832 173.007 174.900 -0.102 0.000 1.398 637 G CA -0.604 44.440 45.100 -0.094 0.000 0.920 637 G HN -0.025 nan 8.290 nan 0.000 0.492 638 V N 1.554 121.412 119.914 -0.094 0.000 2.531 638 V HA 0.479 4.600 4.120 0.001 0.000 0.301 638 V C -0.228 175.802 176.094 -0.107 0.000 1.034 638 V CA -0.638 61.607 62.300 -0.091 0.000 0.865 638 V CB 1.643 33.425 31.823 -0.069 0.000 0.995 638 V HN 0.672 nan 8.190 nan 0.000 0.424 639 I N 4.893 125.385 120.570 -0.130 0.000 2.315 639 I HA 0.306 4.476 4.170 0.001 0.000 0.291 639 I C 0.807 176.864 176.117 -0.100 0.000 1.006 639 I CA -0.329 60.872 61.300 -0.165 0.000 1.265 639 I CB 1.786 39.613 38.000 -0.289 0.000 1.387 639 I HN 0.618 nan 8.210 nan 0.000 0.475 640 V N 1.868 121.742 119.914 -0.066 0.000 3.477 640 V HA 0.161 4.281 4.120 0.001 0.000 0.297 640 V C 1.071 177.180 176.094 0.026 0.000 1.433 640 V CA 0.154 62.441 62.300 -0.021 0.000 1.052 640 V CB 0.085 31.893 31.823 -0.026 0.000 0.895 640 V HN 0.755 nan 8.190 nan 0.000 0.438 641 Q N -0.645 119.186 119.800 0.051 0.000 2.403 641 Q HA 0.280 4.620 4.340 0.001 0.000 0.203 641 Q C 1.146 177.401 176.000 0.424 0.000 0.932 641 Q CA 0.749 56.655 55.803 0.171 0.000 0.945 641 Q CB -0.025 28.807 28.738 0.156 0.000 1.045 641 Q HN 0.749 nan 8.270 nan 0.000 0.511 642 Y N -1.669 118.665 120.300 0.057 0.000 2.445 642 Y HA 0.387 4.938 4.550 0.001 0.000 0.247 642 Y C 1.724 177.716 175.900 0.153 0.000 1.129 642 Y CA -0.318 57.851 58.100 0.116 0.000 1.251 642 Y CB 0.645 39.155 38.460 0.084 0.000 1.176 642 Y HN 0.077 nan 8.280 nan 0.000 0.522 643 G N -0.657 108.267 108.800 0.207 0.000 3.337 643 G HA2 0.439 4.400 3.960 0.001 0.000 0.246 643 G HA3 0.439 4.400 3.960 0.001 0.000 0.246 643 G C 0.887 175.704 174.900 -0.139 0.000 1.131 643 G CA 0.383 45.540 45.100 0.095 0.000 0.773 643 G HN 0.543 nan 8.290 nan 0.000 0.544 644 G N 0.121 108.751 108.800 -0.282 0.000 2.568 644 G HA2 -0.275 3.685 3.960 0.001 0.000 0.222 644 G HA3 -0.275 3.685 3.960 0.001 0.000 0.222 644 G C 0.803 175.500 174.900 -0.339 0.000 1.321 644 G CA 0.215 44.888 45.100 -0.713 0.000 0.893 644 G HN 0.120 nan 8.290 nan 0.000 0.569 645 Q N -0.487 119.106 119.800 -0.345 0.000 2.096 645 Q HA -0.089 4.251 4.340 0.001 0.000 0.204 645 Q C 3.000 178.919 176.000 -0.135 0.000 0.982 645 Q CA 2.577 58.263 55.803 -0.195 0.000 0.850 645 Q CB -1.180 27.453 28.738 -0.175 0.000 0.901 645 Q HN 0.747 nan 8.270 nan 0.000 0.422 646 T N 1.831 116.302 114.554 -0.138 0.000 2.597 646 T HA -0.143 4.207 4.350 0.001 0.000 0.267 646 T C -1.043 173.616 174.700 -0.068 0.000 1.053 646 T CA 2.127 64.172 62.100 -0.092 0.000 1.165 646 T CB -1.117 67.700 68.868 -0.085 0.000 0.863 646 T HN 0.293 nan 8.240 nan 0.000 0.427 647 P HA 0.105 nan 4.420 nan 0.000 0.220 647 P C 1.667 178.945 177.300 -0.037 0.000 1.152 647 P CA 0.502 63.577 63.100 -0.041 0.000 0.812 647 P CB -0.165 31.520 31.700 -0.024 0.000 0.792 648 L N 0.414 121.608 121.223 -0.047 0.000 2.046 648 L HA -0.101 4.240 4.340 0.001 0.000 0.208 648 L C 2.246 179.094 176.870 -0.038 0.000 1.077 648 L CA 1.990 56.807 54.840 -0.038 0.000 0.747 648 L CB -0.916 41.111 42.059 -0.052 0.000 0.896 648 L HN -0.197 nan 8.230 nan 0.000 0.432 649 K N -0.991 119.382 120.400 -0.045 0.000 2.360 649 K HA -0.090 4.231 4.320 0.001 0.000 0.201 649 K C 1.835 178.418 176.600 -0.030 0.000 1.046 649 K CA 0.848 57.112 56.287 -0.039 0.000 0.945 649 K CB -0.059 32.415 32.500 -0.044 0.000 0.750 649 K HN 0.368 nan 8.250 nan 0.000 0.464 650 L N -0.567 120.639 121.223 -0.029 0.000 2.354 650 L HA 0.058 4.398 4.340 0.001 0.000 0.212 650 L C 2.370 179.227 176.870 -0.021 0.000 1.091 650 L CA 0.203 55.029 54.840 -0.023 0.000 0.828 650 L CB -0.389 41.656 42.059 -0.024 0.000 0.973 650 L HN 0.110 nan 8.230 nan 0.000 0.461 651 A N 0.914 123.721 122.820 -0.022 0.000 1.909 651 A HA -0.336 3.984 4.320 0.001 0.000 0.221 651 A C 2.366 179.939 177.584 -0.017 0.000 1.223 651 A CA 2.358 54.383 52.037 -0.020 0.000 0.658 651 A CB -0.637 18.352 19.000 -0.019 0.000 0.831 651 A HN 0.337 nan 8.150 nan 0.000 0.462 652 R N -1.186 119.304 120.500 -0.016 0.000 2.073 652 R HA -0.060 4.281 4.340 0.001 0.000 0.234 652 R C 2.556 178.849 176.300 -0.012 0.000 1.134 652 R CA 1.328 57.420 56.100 -0.013 0.000 0.952 652 R CB -0.442 29.851 30.300 -0.012 0.000 0.850 652 R HN 0.552 nan 8.270 nan 0.000 0.433 653 A N 0.770 123.582 122.820 -0.012 0.000 1.933 653 A HA -0.121 4.200 4.320 0.001 0.000 0.218 653 A C 2.118 179.696 177.584 -0.010 0.000 1.175 653 A CA 1.100 53.131 52.037 -0.010 0.000 0.628 653 A CB -0.460 18.535 19.000 -0.009 0.000 0.814 653 A HN 0.199 nan 8.150 nan 0.000 0.444 654 L N -0.948 120.267 121.223 -0.013 0.000 1.994 654 L HA -0.200 4.141 4.340 0.001 0.000 0.208 654 L C 2.674 179.535 176.870 -0.015 0.000 1.071 654 L CA 1.863 56.694 54.840 -0.016 0.000 0.745 654 L CB -0.551 41.495 42.059 -0.022 0.000 0.892 654 L HN 0.558 nan 8.230 nan 0.000 0.431 655 E N 0.333 120.524 120.200 -0.015 0.000 2.085 655 E HA -0.268 4.082 4.350 0.001 0.000 0.194 655 E C 2.139 178.733 176.600 -0.010 0.000 0.994 655 E CA 1.320 57.711 56.400 -0.014 0.000 0.801 655 E CB 0.008 29.701 29.700 -0.013 0.000 0.743 655 E HN 0.478 nan 8.360 nan 0.000 0.453 656 A N 0.686 123.501 122.820 -0.009 0.000 2.014 656 A HA 0.070 4.390 4.320 0.001 0.000 0.218 656 A C 2.187 179.768 177.584 -0.005 0.000 1.163 656 A CA 1.218 53.251 52.037 -0.007 0.000 0.652 656 A CB -0.296 18.700 19.000 -0.006 0.000 0.808 656 A HN 0.348 nan 8.150 nan 0.000 0.449 657 A N -1.484 121.332 122.820 -0.006 0.000 2.235 657 A HA 0.410 4.730 4.320 0.001 0.000 0.208 657 A C 1.581 179.162 177.584 -0.004 0.000 1.172 657 A CA 1.117 53.153 52.037 -0.003 0.000 0.786 657 A CB -0.913 18.087 19.000 -0.001 0.000 0.804 657 A HN 1.849 nan 8.150 nan 0.000 0.479 658 G N -1.387 107.409 108.800 -0.007 0.000 2.164 658 G HA2 -0.129 3.832 3.960 0.001 0.000 0.212 658 G HA3 -0.129 3.832 3.960 0.001 0.000 0.212 658 G C -0.082 174.810 174.900 -0.014 0.000 1.031 658 G CA -0.049 45.046 45.100 -0.009 0.000 0.730 658 G HN 0.706 nan 8.290 nan 0.000 0.501 659 V N 1.747 121.651 119.914 -0.017 0.000 2.432 659 V HA 0.431 4.552 4.120 0.001 0.000 0.275 659 V C -1.190 174.889 176.094 -0.026 0.000 1.043 659 V CA -1.225 61.061 62.300 -0.024 0.000 0.925 659 V CB 1.535 33.341 31.823 -0.028 0.000 0.985 659 V HN 0.225 nan 8.190 nan 0.000 0.466 660 P HA 0.097 nan 4.420 nan 0.000 0.241 660 P C -0.224 177.052 177.300 -0.040 0.000 1.760 660 P CA 0.020 63.102 63.100 -0.030 0.000 1.081 660 P CB -0.136 31.546 31.700 -0.030 0.000 1.975 661 V N 4.568 124.460 119.914 -0.037 0.000 2.585 661 V HA 0.050 4.171 4.120 0.001 0.000 0.296 661 V C 1.246 177.311 176.094 -0.047 0.000 1.035 661 V CA -0.022 62.252 62.300 -0.044 0.000 1.084 661 V CB 0.064 31.866 31.823 -0.035 0.000 0.953 661 V HN 0.341 nan 8.190 nan 0.000 0.483 662 I N 2.111 122.642 120.570 -0.066 0.000 3.076 662 I HA 1.029 5.200 4.170 0.001 0.000 0.313 662 I C 0.656 176.734 176.117 -0.065 0.000 1.053 662 I CA -0.169 61.091 61.300 -0.067 0.000 1.048 662 I CB 1.664 39.609 38.000 -0.092 0.000 1.264 662 I HN 0.878 nan 8.210 nan 0.000 0.498 663 G N 2.070 110.840 108.800 -0.050 0.000 2.642 663 G HA2 -0.192 3.768 3.960 0.001 0.000 0.231 663 G HA3 -0.192 3.768 3.960 0.001 0.000 0.231 663 G C -0.142 174.754 174.900 -0.008 0.000 1.338 663 G CA -0.248 44.833 45.100 -0.032 0.000 0.883 663 G HN 0.976 nan 8.290 nan 0.000 0.570 664 T N 1.115 115.674 114.554 0.009 0.000 2.822 664 T HA 0.381 4.731 4.350 0.001 0.000 0.288 664 T C 1.294 175.999 174.700 0.009 0.000 0.991 664 T CA 1.030 63.141 62.100 0.018 0.000 1.176 664 T CB 0.530 69.416 68.868 0.030 0.000 0.951 664 T HN 1.751 nan 8.240 nan 0.000 0.526 665 S N 4.834 120.540 115.700 0.011 0.000 2.576 665 S HA 0.092 4.562 4.470 0.001 0.000 0.272 665 S C -1.260 173.342 174.600 0.003 0.000 1.352 665 S CA -1.176 57.026 58.200 0.005 0.000 1.021 665 S CB 0.521 63.726 63.200 0.009 0.000 0.887 665 S HN 0.346 nan 8.310 nan 0.000 0.542 666 P HA -0.083 nan 4.420 nan 0.000 0.215 666 P C 1.015 178.314 177.300 -0.001 0.000 1.157 666 P CA 1.587 64.685 63.100 -0.005 0.000 0.868 666 P CB -0.172 31.523 31.700 -0.008 0.000 0.788 667 D N -0.773 119.628 120.400 0.002 0.000 2.104 667 D HA -0.168 4.473 4.640 0.001 0.000 0.194 667 D C 1.940 178.247 176.300 0.012 0.000 0.994 667 D CA 1.566 55.569 54.000 0.005 0.000 0.830 667 D CB -0.583 40.220 40.800 0.006 0.000 0.959 667 D HN -0.038 nan 8.370 nan 0.000 0.452 668 A N 0.129 122.960 122.820 0.018 0.000 1.883 668 A HA -0.169 4.151 4.320 0.001 0.000 0.217 668 A C 2.374 179.971 177.584 0.021 0.000 1.186 668 A CA 1.394 53.447 52.037 0.028 0.000 0.624 668 A CB -0.914 18.106 19.000 0.033 0.000 0.822 668 A HN 0.393 nan 8.150 nan 0.000 0.444 669 I N -0.493 120.083 120.570 0.010 0.000 2.163 669 I HA -0.295 3.875 4.170 0.001 0.000 0.243 669 I C 2.297 178.408 176.117 -0.011 0.000 1.085 669 I CA 2.045 63.343 61.300 -0.003 0.000 1.347 669 I CB -0.467 37.530 38.000 -0.005 0.000 1.044 669 I HN 0.396 nan 8.210 nan 0.000 0.408 670 D N 0.479 120.876 120.400 -0.005 0.000 2.123 670 D HA -0.198 4.442 4.640 0.001 0.000 0.196 670 D C 2.392 178.695 176.300 0.005 0.000 0.992 670 D CA 1.180 55.176 54.000 -0.007 0.000 0.833 670 D CB 0.068 40.865 40.800 -0.005 0.000 0.954 670 D HN 0.061 nan 8.370 nan 0.000 0.455 671 R N -0.177 120.335 120.500 0.021 0.000 2.096 671 R HA -0.152 4.189 4.340 0.001 0.000 0.240 671 R C 2.208 178.557 176.300 0.082 0.000 1.139 671 R CA 1.389 57.521 56.100 0.053 0.000 0.952 671 R CB -0.490 29.849 30.300 0.065 0.000 0.854 671 R HN 0.243 nan 8.270 nan 0.000 0.436 672 A N 1.137 123.976 122.820 0.031 0.000 1.897 672 A HA -0.122 4.199 4.320 0.001 0.000 0.215 672 A C 1.914 179.382 177.584 -0.194 0.000 1.181 672 A CA 1.092 53.087 52.037 -0.070 0.000 0.620 672 A CB -0.206 18.734 19.000 -0.099 0.000 0.821 672 A HN 0.265 nan 8.150 nan 0.000 0.443 673 E N 0.391 120.523 120.200 -0.113 0.000 2.150 673 E HA -0.142 4.209 4.350 0.001 0.000 0.193 673 E C 0.017 176.578 176.600 -0.065 0.000 0.985 673 E CA 0.708 57.041 56.400 -0.111 0.000 0.814 673 E CB -0.429 29.227 29.700 -0.075 0.000 0.752 673 E HN 0.717 nan 8.360 nan 0.000 0.466 674 D N 1.180 121.572 120.400 -0.014 0.000 2.338 674 D HA -0.021 4.619 4.640 0.001 0.000 0.255 674 D C 1.416 177.770 176.300 0.089 0.000 1.237 674 D CA -0.241 53.773 54.000 0.024 0.000 0.883 674 D CB 0.635 41.446 40.800 0.018 0.000 1.087 674 D HN -0.119 nan 8.370 nan 0.000 0.485 675 R N 3.652 124.203 120.500 0.086 0.000 2.159 675 R HA -0.276 4.064 4.340 0.001 0.000 0.252 675 R C 1.422 177.844 176.300 0.204 0.000 1.144 675 R CA 1.522 57.712 56.100 0.151 0.000 0.961 675 R CB -0.806 29.552 30.300 0.098 0.000 0.877 675 R HN 0.607 nan 8.270 nan 0.000 0.444 676 E N 0.473 120.758 120.200 0.141 0.000 2.015 676 E HA -0.054 4.296 4.350 0.001 0.000 0.191 676 E C 2.352 179.043 176.600 0.152 0.000 0.991 676 E CA 0.659 57.150 56.400 0.152 0.000 0.802 676 E CB 0.033 29.763 29.700 0.050 0.000 0.759 676 E HN 0.295 nan 8.360 nan 0.000 0.447 677 R N -0.114 120.403 120.500 0.028 0.000 2.105 677 R HA -0.178 4.163 4.340 0.001 0.000 0.239 677 R C 2.323 178.730 176.300 0.179 0.000 1.135 677 R CA 1.181 57.278 56.100 -0.005 0.000 0.967 677 R CB -0.491 29.813 30.300 0.007 0.000 0.861 677 R HN 0.219 nan 8.270 nan 0.000 0.442 678 F N 2.108 122.093 119.950 0.058 0.000 2.084 678 F HA -0.204 4.324 4.527 0.001 0.000 0.296 678 F C 2.650 178.510 175.800 0.100 0.000 1.111 678 F CA 1.675 59.714 58.000 0.064 0.000 1.224 678 F CB -0.623 38.397 39.000 0.034 0.000 0.991 678 F HN -0.047 nan 8.300 nan 0.000 0.471 679 Q N -0.986 118.849 119.800 0.059 0.000 2.268 679 Q HA -0.296 4.045 4.340 0.001 0.000 0.210 679 Q C 1.935 177.878 176.000 -0.094 0.000 0.988 679 Q CA 2.165 57.920 55.803 -0.080 0.000 0.883 679 Q CB -0.279 28.487 28.738 0.047 0.000 0.911 679 Q HN 0.594 nan 8.270 nan 0.000 0.430 680 H N -1.097 117.925 119.070 -0.080 0.000 2.395 680 H HA 0.065 4.621 4.556 0.001 0.000 0.299 680 H C 1.737 177.021 175.328 -0.073 0.000 1.070 680 H CA 1.346 57.361 56.048 -0.054 0.000 1.356 680 H CB -0.010 29.747 29.762 -0.009 0.000 1.401 680 H HN 0.399 nan 8.280 nan 0.000 0.524 681 A N 0.168 123.008 122.820 0.033 0.000 1.855 681 A HA -0.080 4.240 4.320 0.001 0.000 0.213 681 A C 2.512 180.034 177.584 -0.103 0.000 1.195 681 A CA 1.308 53.340 52.037 -0.008 0.000 0.610 681 A CB -0.805 18.220 19.000 0.040 0.000 0.837 681 A HN 0.205 nan 8.150 nan 0.000 0.444 682 V N 0.251 119.999 119.914 -0.276 0.000 2.278 682 V HA -0.364 3.756 4.120 0.001 0.000 0.251 682 V C 2.445 178.441 176.094 -0.164 0.000 1.062 682 V CA 2.602 64.725 62.300 -0.294 0.000 1.038 682 V CB -0.996 30.505 31.823 -0.538 0.000 0.646 682 V HN 0.667 nan 8.190 nan 0.000 0.447 683 E N -0.150 119.957 120.200 -0.156 0.000 2.049 683 E HA -0.284 4.066 4.350 0.001 0.000 0.198 683 E C 2.472 179.027 176.600 -0.076 0.000 1.007 683 E CA 1.855 58.184 56.400 -0.117 0.000 0.809 683 E CB -0.282 29.331 29.700 -0.145 0.000 0.749 683 E HN 0.525 nan 8.360 nan 0.000 0.450 684 R N 0.490 120.956 120.500 -0.055 0.000 2.105 684 R HA -0.154 4.186 4.340 0.001 0.000 0.239 684 R C 1.955 178.245 176.300 -0.017 0.000 1.135 684 R CA 1.313 57.399 56.100 -0.024 0.000 0.967 684 R CB -0.206 30.096 30.300 0.003 0.000 0.861 684 R HN 0.224 nan 8.270 nan 0.000 0.442 685 L N 0.504 121.713 121.223 -0.023 0.000 2.509 685 L HA 0.112 4.453 4.340 0.001 0.000 0.222 685 L C 0.120 176.980 176.870 -0.018 0.000 1.123 685 L CA 0.272 55.108 54.840 -0.008 0.000 0.856 685 L CB -0.009 42.051 42.059 0.002 0.000 0.985 685 L HN 0.124 nan 8.230 nan 0.000 0.456 686 K N 1.055 121.433 120.400 -0.037 0.000 3.619 686 K HA -0.137 4.183 4.320 0.001 0.000 0.275 686 K C -0.806 175.767 176.600 -0.045 0.000 0.993 686 K CA 0.387 56.648 56.287 -0.043 0.000 0.787 686 K CB -1.420 31.059 32.500 -0.035 0.000 1.431 686 K HN 0.204 nan 8.250 nan 0.000 0.451 687 L N 0.169 121.359 121.223 -0.055 0.000 2.286 687 L HA 0.474 4.814 4.340 0.001 0.000 0.265 687 L C 0.490 177.320 176.870 -0.067 0.000 1.012 687 L CA -1.232 53.580 54.840 -0.047 0.000 0.818 687 L CB 1.446 43.495 42.059 -0.017 0.000 1.337 687 L HN 0.055 nan 8.230 nan 0.000 0.438 688 K N 2.181 122.537 120.400 -0.073 0.000 2.248 688 K HA 0.323 4.644 4.320 0.001 0.000 0.281 688 K C -0.940 175.669 176.600 0.016 0.000 1.054 688 K CA -0.110 56.114 56.287 -0.104 0.000 0.903 688 K CB 1.482 33.784 32.500 -0.329 0.000 1.077 688 K HN 0.496 nan 8.250 nan 0.000 0.474 689 Q N 3.713 123.551 119.800 0.064 0.000 2.331 689 Q HA 0.358 4.699 4.340 0.001 0.000 0.272 689 Q C -2.431 173.672 176.000 0.171 0.000 1.062 689 Q CA -2.022 53.850 55.803 0.115 0.000 0.806 689 Q CB 2.156 30.893 28.738 -0.002 0.000 1.312 689 Q HN 0.322 nan 8.270 nan 0.000 0.431 690 P HA 0.010 nan 4.420 nan 0.000 0.266 690 P C -1.013 176.345 177.300 0.096 0.000 1.193 690 P CA 0.027 63.204 63.100 0.129 0.000 0.770 690 P CB 0.362 32.088 31.700 0.044 0.000 0.836 691 A N 3.340 126.215 122.820 0.092 0.000 2.565 691 A HA 0.240 4.561 4.320 0.001 0.000 0.237 691 A C 0.501 178.110 177.584 0.043 0.000 1.053 691 A CA 0.294 52.360 52.037 0.048 0.000 0.755 691 A CB -0.984 18.024 19.000 0.013 0.000 0.980 691 A HN 0.800 nan 8.150 nan 0.000 0.506 692 N N -0.204 118.511 118.700 0.024 0.000 2.494 692 N HA 0.766 5.506 4.740 0.001 0.000 0.270 692 N C -0.929 174.591 175.510 0.017 0.000 1.285 692 N CA -0.218 52.846 53.050 0.025 0.000 0.812 692 N CB 1.962 40.473 38.487 0.040 0.000 1.557 692 N HN 0.889 nan 8.380 nan 0.000 0.487 693 A N -0.026 122.806 122.820 0.020 0.000 2.556 693 A HA 0.794 5.115 4.320 0.001 0.000 0.294 693 A C -1.282 176.325 177.584 0.037 0.000 1.091 693 A CA -0.729 51.322 52.037 0.024 0.000 0.704 693 A CB 1.675 20.684 19.000 0.015 0.000 1.300 693 A HN 0.601 nan 8.150 nan 0.000 0.406 694 T N 1.688 116.267 114.554 0.042 0.000 3.060 694 T HA 0.472 4.822 4.350 0.001 0.000 0.367 694 T C -0.359 174.374 174.700 0.054 0.000 1.229 694 T CA -0.204 61.927 62.100 0.052 0.000 1.104 694 T CB 0.285 69.183 68.868 0.051 0.000 1.083 694 T HN 0.523 nan 8.240 nan 0.000 0.524 695 V N 3.003 122.960 119.914 0.073 0.000 2.686 695 V HA 0.313 4.433 4.120 0.001 0.000 0.295 695 V C 1.246 177.388 176.094 0.080 0.000 1.057 695 V CA -0.245 62.101 62.300 0.076 0.000 1.012 695 V CB 1.448 33.336 31.823 0.109 0.000 1.006 695 V HN 0.889 nan 8.190 nan 0.000 0.477 696 T N 0.905 115.488 114.554 0.048 0.000 3.026 696 T HA 0.428 4.779 4.350 0.001 0.000 0.245 696 T C 0.469 175.180 174.700 0.019 0.000 1.004 696 T CA 0.658 62.783 62.100 0.041 0.000 1.069 696 T CB 0.542 69.425 68.868 0.024 0.000 1.005 696 T HN 0.808 nan 8.240 nan 0.000 0.472 697 A N 0.335 123.138 122.820 -0.029 0.000 2.350 697 A HA 0.730 5.051 4.320 0.001 0.000 0.318 697 A C 0.697 178.132 177.584 -0.249 0.000 1.132 697 A CA -0.663 51.313 52.037 -0.102 0.000 0.811 697 A CB 0.638 19.591 19.000 -0.079 0.000 1.313 697 A HN 0.044 nan 8.150 nan 0.000 0.454 698 I N 0.744 121.072 120.570 -0.404 0.000 2.039 698 I HA -0.221 3.949 4.170 0.001 0.000 0.233 698 I C 2.219 178.090 176.117 -0.411 0.000 1.040 698 I CA 1.819 62.689 61.300 -0.717 0.000 1.308 698 I CB -0.618 37.081 38.000 -0.503 0.000 1.035 698 I HN 0.710 nan 8.210 nan 0.000 0.392 699 E N -0.056 120.013 120.200 -0.218 0.000 2.219 699 E HA -0.277 4.074 4.350 0.001 0.000 0.198 699 E C 2.161 178.718 176.600 -0.071 0.000 0.998 699 E CA 1.243 57.578 56.400 -0.109 0.000 0.818 699 E CB -0.564 29.094 29.700 -0.070 0.000 0.741 699 E HN 0.561 nan 8.360 nan 0.000 0.477 700 M N 0.021 119.570 119.600 -0.085 0.000 2.132 700 M HA -0.105 4.376 4.480 0.001 0.000 0.263 700 M C 2.133 178.424 176.300 -0.015 0.000 1.065 700 M CA 1.614 56.889 55.300 -0.041 0.000 1.122 700 M CB 0.000 32.576 32.600 -0.040 0.000 1.365 700 M HN 0.101 nan 8.290 nan 0.000 0.411 701 A N -0.640 122.163 122.820 -0.027 0.000 1.968 701 A HA -0.054 4.267 4.320 0.001 0.000 0.217 701 A C 1.930 179.566 177.584 0.086 0.000 1.169 701 A CA 1.310 53.384 52.037 0.062 0.000 0.638 701 A CB -0.850 18.255 19.000 0.175 0.000 0.812 701 A HN 0.406 nan 8.150 nan 0.000 0.446 702 V N 0.197 120.147 119.914 0.060 0.000 2.343 702 V HA -0.242 3.879 4.120 0.001 0.000 0.247 702 V C 2.533 178.690 176.094 0.105 0.000 1.051 702 V CA 2.365 64.735 62.300 0.116 0.000 1.036 702 V CB -0.806 31.061 31.823 0.074 0.000 0.654 702 V HN 0.681 nan 8.190 nan 0.000 0.451 703 E N 1.024 121.256 120.200 0.053 0.000 2.028 703 E HA -0.200 4.150 4.350 0.001 0.000 0.191 703 E C 2.110 178.731 176.600 0.034 0.000 0.988 703 E CA 1.467 57.891 56.400 0.041 0.000 0.799 703 E CB -0.312 29.399 29.700 0.019 0.000 0.755 703 E HN 0.367 nan 8.360 nan 0.000 0.447 704 K N 0.138 120.553 120.400 0.024 0.000 2.097 704 K HA 0.047 4.367 4.320 0.001 0.000 0.206 704 K C 1.845 178.433 176.600 -0.019 0.000 1.049 704 K CA 1.255 57.547 56.287 0.007 0.000 0.933 704 K CB -0.658 31.850 32.500 0.014 0.000 0.717 704 K HN 0.223 nan 8.250 nan 0.000 0.442 705 A N 0.586 123.394 122.820 -0.021 0.000 1.883 705 A HA -0.232 4.088 4.320 0.001 0.000 0.217 705 A C 2.020 179.526 177.584 -0.130 0.000 1.186 705 A CA 2.056 53.996 52.037 -0.161 0.000 0.624 705 A CB -0.530 18.384 19.000 -0.143 0.000 0.822 705 A HN 0.252 nan 8.150 nan 0.000 0.444 706 K N -0.246 120.190 120.400 0.060 0.000 2.059 706 K HA -0.215 4.105 4.320 0.001 0.000 0.212 706 K C 2.074 178.693 176.600 0.032 0.000 1.050 706 K CA 2.048 58.405 56.287 0.116 0.000 0.927 706 K CB -0.204 32.358 32.500 0.103 0.000 0.714 706 K HN 0.670 nan 8.250 nan 0.000 0.447 707 E N -0.074 120.125 120.200 -0.001 0.000 2.023 707 E HA -0.200 4.150 4.350 0.001 0.000 0.196 707 E C 2.079 178.647 176.600 -0.052 0.000 1.003 707 E CA 1.524 57.912 56.400 -0.020 0.000 0.809 707 E CB -0.098 29.592 29.700 -0.016 0.000 0.755 707 E HN 0.262 nan 8.360 nan 0.000 0.449 708 I N -0.164 120.359 120.570 -0.077 0.000 2.142 708 I HA -0.115 4.055 4.170 0.001 0.000 0.240 708 I C 1.086 177.093 176.117 -0.184 0.000 1.078 708 I CA 1.017 62.255 61.300 -0.103 0.000 1.343 708 I CB -0.078 37.871 38.000 -0.086 0.000 1.046 708 I HN 0.260 nan 8.210 nan 0.000 0.405 709 G N -0.798 107.888 108.800 -0.189 0.000 2.674 709 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 709 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 709 G C -1.052 173.812 174.900 -0.060 0.000 1.195 709 G CA -0.976 44.028 45.100 -0.160 0.000 0.776 709 G HN 0.019 nan 8.290 nan 0.000 0.654 710 Y N 1.450 121.825 120.300 0.126 0.000 2.320 710 Y HA 0.576 5.127 4.550 0.001 0.000 0.324 710 Y C -1.230 174.842 175.900 0.288 0.000 1.190 710 Y CA -1.565 56.632 58.100 0.163 0.000 1.215 710 Y CB 1.200 39.722 38.460 0.103 0.000 1.221 710 Y HN 0.492 nan 8.280 nan 0.000 0.486 711 P HA 0.242 nan 4.420 nan 0.000 0.276 711 P C -1.256 176.000 177.300 -0.074 0.000 1.252 711 P CA -0.325 62.761 63.100 -0.023 0.000 0.802 711 P CB 0.995 32.450 31.700 -0.409 0.000 1.035 712 L N 0.956 122.066 121.223 -0.190 0.000 2.341 712 L HA 0.447 4.788 4.340 0.001 0.000 0.267 712 L C -0.846 175.890 176.870 -0.224 0.000 1.009 712 L CA -0.742 53.989 54.840 -0.182 0.000 0.819 712 L CB 2.374 44.287 42.059 -0.244 0.000 1.323 712 L HN 0.019 nan 8.230 nan 0.000 0.425 713 V N 4.141 123.964 119.914 -0.152 0.000 2.293 713 V HA 0.335 4.456 4.120 0.001 0.000 0.275 713 V C -0.606 175.393 176.094 -0.159 0.000 1.021 713 V CA -0.619 61.591 62.300 -0.151 0.000 0.815 713 V CB 1.575 33.374 31.823 -0.039 0.000 1.025 713 V HN 0.437 nan 8.190 nan 0.000 0.448 714 V N 6.451 126.212 119.914 -0.255 0.000 2.304 714 V HA 0.409 4.529 4.120 0.001 0.000 0.262 714 V C 0.516 176.503 176.094 -0.179 0.000 1.061 714 V CA -0.576 61.564 62.300 -0.267 0.000 0.872 714 V CB 0.406 31.920 31.823 -0.515 0.000 1.077 714 V HN 0.702 nan 8.190 nan 0.000 0.480 715 R N 5.077 125.529 120.500 -0.081 0.000 2.221 715 R HA 0.499 4.839 4.340 0.001 0.000 0.327 715 R C -1.923 174.379 176.300 0.003 0.000 1.033 715 R CA -0.909 55.172 56.100 -0.031 0.000 0.887 715 R CB 1.721 32.015 30.300 -0.011 0.000 1.057 715 R HN 0.594 nan 8.270 nan 0.000 0.455 725 M N 1.770 121.361 119.600 -0.015 0.000 2.294 725 M HA 0.391 4.872 4.480 0.001 0.000 0.280 725 M C -0.864 175.389 176.300 -0.078 0.000 1.085 725 M CA -0.075 55.199 55.300 -0.043 0.000 0.969 725 M CB 2.430 35.017 32.600 -0.022 0.000 1.770 725 M HN 0.977 nan 8.290 nan 0.000 0.485 726 E N 3.296 123.394 120.200 -0.170 0.000 2.359 726 E HA 0.741 5.091 4.350 0.001 0.000 0.266 726 E C -1.662 174.757 176.600 -0.303 0.000 0.920 726 E CA -0.687 55.582 56.400 -0.218 0.000 0.788 726 E CB 2.248 31.826 29.700 -0.203 0.000 1.279 726 E HN 0.684 nan 8.360 nan 0.000 0.438 727 I N 2.968 123.366 120.570 -0.288 0.000 2.382 727 I HA 0.293 4.464 4.170 0.001 0.000 0.286 727 I C -0.843 175.097 176.117 -0.294 0.000 1.002 727 I CA -1.045 60.023 61.300 -0.387 0.000 1.135 727 I CB 1.631 39.286 38.000 -0.575 0.000 1.288 727 I HN 0.292 nan 8.210 nan 0.000 0.448 728 V N 6.154 125.895 119.914 -0.290 0.000 2.539 728 V HA 0.237 4.358 4.120 0.001 0.000 0.292 728 V C -0.070 175.990 176.094 -0.056 0.000 1.045 728 V CA -0.234 62.017 62.300 -0.083 0.000 0.945 728 V CB 1.493 33.294 31.823 -0.037 0.000 0.993 728 V HN 0.593 nan 8.190 nan 0.000 0.464 729 Y N 0.764 121.139 120.300 0.125 0.000 2.500 729 Y HA 0.188 4.739 4.550 0.001 0.000 0.284 729 Y C 0.904 176.833 175.900 0.048 0.000 1.118 729 Y CA 0.025 58.214 58.100 0.148 0.000 1.241 729 Y CB 0.505 38.993 38.460 0.047 0.000 1.171 729 Y HN 0.836 nan 8.280 nan 0.000 0.540 730 D N -1.236 119.152 120.400 -0.020 0.000 2.592 730 D HA 0.092 4.733 4.640 0.001 0.000 0.263 730 D C 0.703 176.717 176.300 -0.477 0.000 1.132 730 D CA -0.577 53.113 54.000 -0.516 0.000 0.996 730 D CB 0.844 41.479 40.800 -0.275 0.000 1.442 730 D HN 0.117 nan 8.370 nan 0.000 0.486 731 E N 0.263 120.138 120.200 -0.542 0.000 2.049 731 E HA -0.276 4.074 4.350 0.001 0.000 0.198 731 E C 1.883 178.503 176.600 0.034 0.000 1.007 731 E CA 1.786 58.118 56.400 -0.112 0.000 0.809 731 E CB -0.361 29.303 29.700 -0.061 0.000 0.749 731 E HN 0.507 nan 8.360 nan 0.000 0.450 732 A N 0.978 123.792 122.820 -0.010 0.000 1.903 732 A HA -0.294 4.027 4.320 0.001 0.000 0.219 732 A C 1.930 179.562 177.584 0.081 0.000 1.191 732 A CA 2.252 54.309 52.037 0.034 0.000 0.638 732 A CB -0.995 18.009 19.000 0.006 0.000 0.823 732 A HN 0.446 nan 8.150 nan 0.000 0.451 733 D N -1.262 119.183 120.400 0.075 0.000 2.221 733 D HA -0.116 4.524 4.640 0.001 0.000 0.204 733 D C 1.690 178.103 176.300 0.189 0.000 0.982 733 D CA 0.891 54.965 54.000 0.122 0.000 0.857 733 D CB -0.054 40.826 40.800 0.133 0.000 0.934 733 D HN 0.308 nan 8.370 nan 0.000 0.475 734 L N 0.882 122.253 121.223 0.246 0.000 2.044 734 L HA -0.033 4.308 4.340 0.001 0.000 0.205 734 L C 1.924 179.081 176.870 0.477 0.000 1.075 734 L CA 1.515 56.570 54.840 0.358 0.000 0.747 734 L CB -0.554 41.777 42.059 0.454 0.000 0.903 734 L HN -0.029 nan 8.230 nan 0.000 0.435 735 R N -0.610 120.101 120.500 0.352 0.000 2.097 735 R HA -0.214 4.126 4.340 0.001 0.000 0.236 735 R C 2.273 178.748 176.300 0.290 0.000 1.135 735 R CA 1.480 57.770 56.100 0.317 0.000 0.934 735 R CB -0.977 29.422 30.300 0.164 0.000 0.846 735 R HN 0.327 nan 8.270 nan 0.000 0.431 736 R N 0.366 120.983 120.500 0.194 0.000 2.196 736 R HA -0.300 4.040 4.340 0.001 0.000 0.244 736 R C 2.331 178.712 176.300 0.135 0.000 1.121 736 R CA 2.508 58.690 56.100 0.137 0.000 0.930 736 R CB -0.794 29.579 30.300 0.121 0.000 0.890 736 R HN 0.383 nan 8.270 nan 0.000 0.435 737 Y N -0.015 120.298 120.300 0.023 0.000 2.128 737 Y HA -0.287 4.264 4.550 0.001 0.000 0.284 737 Y C 2.110 177.953 175.900 -0.095 0.000 1.154 737 Y CA 2.033 60.083 58.100 -0.083 0.000 1.149 737 Y CB -0.529 37.799 38.460 -0.219 0.000 0.976 737 Y HN 0.064 nan 8.280 nan 0.000 0.505 738 F N 1.047 121.016 119.950 0.032 0.000 2.154 738 F HA -0.307 4.221 4.527 0.001 0.000 0.301 738 F C 2.621 178.332 175.800 -0.147 0.000 1.087 738 F CA 2.059 60.015 58.000 -0.073 0.000 1.274 738 F CB -1.014 38.026 39.000 0.066 0.000 1.009 738 F HN 0.248 nan 8.300 nan 0.000 0.485 739 Q N 0.194 120.040 119.800 0.077 0.000 1.856 739 Q HA -0.257 4.083 4.340 0.001 0.000 0.233 739 Q C 2.465 178.418 176.000 -0.078 0.000 0.995 739 Q CA 3.192 59.004 55.803 0.014 0.000 0.877 739 Q CB -0.632 28.117 28.738 0.019 0.000 0.937 739 Q HN 0.442 nan 8.270 nan 0.000 0.423 740 T N -0.382 114.101 114.554 -0.120 0.000 2.653 740 T HA -0.239 4.112 4.350 0.001 0.000 0.267 740 T C 1.039 175.591 174.700 -0.246 0.000 1.037 740 T CA 1.170 63.177 62.100 -0.155 0.000 1.159 740 T CB -1.148 67.641 68.868 -0.131 0.000 0.859 740 T HN 0.573 nan 8.240 nan 0.000 0.449 751 L N 5.279 126.530 121.223 0.047 0.000 2.380 751 L HA 0.473 4.813 4.340 0.001 0.000 0.273 751 L C -0.475 176.403 176.870 0.013 0.000 1.138 751 L CA 0.159 55.020 54.840 0.035 0.000 0.832 751 L CB 0.832 42.908 42.059 0.029 0.000 1.124 751 L HN 0.442 nan 8.230 nan 0.000 0.454 752 L N 3.621 124.854 121.223 0.016 0.000 2.333 752 L HA 0.499 4.840 4.340 0.001 0.000 0.280 752 L C -0.893 175.973 176.870 -0.006 0.000 1.004 752 L CA -0.056 54.778 54.840 -0.009 0.000 0.820 752 L CB 1.670 43.730 42.059 0.001 0.000 1.247 752 L HN 0.517 nan 8.230 nan 0.000 0.416 753 D N -0.408 119.980 120.400 -0.019 0.000 2.732 753 D HA 0.293 4.934 4.640 0.001 0.000 0.229 753 D C -1.095 175.216 176.300 0.018 0.000 1.152 753 D CA -0.527 53.479 54.000 0.011 0.000 0.854 753 D CB 1.369 42.178 40.800 0.015 0.000 1.590 753 D HN 0.414 nan 8.370 nan 0.000 0.468 754 H N 1.195 120.232 119.070 -0.056 0.000 2.803 754 H HA 0.255 4.812 4.556 0.001 0.000 0.330 754 H C -1.029 174.271 175.328 -0.046 0.000 1.057 754 H CA -0.247 55.758 56.048 -0.070 0.000 1.458 754 H CB 0.232 29.944 29.762 -0.084 0.000 1.470 754 H HN 0.243 nan 8.280 nan 0.000 0.560 755 F N 6.268 125.751 119.950 -0.779 0.000 2.445 755 F HA 0.227 4.754 4.527 0.001 0.000 0.359 755 F C -0.774 174.570 175.800 -0.761 0.000 1.101 755 F CA -0.774 56.849 58.000 -0.628 0.000 1.177 755 F CB 0.223 38.944 39.000 -0.464 0.000 1.110 755 F HN 0.529 nan 8.300 nan 0.000 0.522 756 L N 6.501 126.913 121.223 -1.352 0.000 2.385 756 L HA 0.158 4.499 4.340 0.001 0.000 0.285 756 L C 0.082 176.207 176.870 -1.242 0.000 1.125 756 L CA -0.416 53.781 54.840 -1.070 0.000 0.890 756 L CB -0.379 41.223 42.059 -0.762 0.000 1.251 756 L HN 0.537 nan 8.230 nan 0.000 0.445 757 D N 2.892 122.811 120.400 -0.802 0.000 2.382 757 D HA -0.041 4.599 4.640 0.001 0.000 0.240 757 D C 0.505 176.692 176.300 -0.188 0.000 1.146 757 D CA 0.262 54.071 54.000 -0.318 0.000 0.897 757 D CB 0.643 41.452 40.800 0.014 0.000 1.197 757 D HN 0.462 nan 8.370 nan 0.000 0.432 758 D N -0.054 120.320 120.400 -0.043 0.000 2.701 758 D HA -0.198 4.442 4.640 0.001 0.000 0.235 758 D C -0.719 175.541 176.300 -0.067 0.000 1.155 758 D CA 0.868 54.858 54.000 -0.018 0.000 0.649 758 D CB -1.030 39.774 40.800 0.007 0.000 1.050 758 D HN 0.365 nan 8.370 nan 0.000 0.425 759 A N -0.279 122.474 122.820 -0.112 0.000 2.340 759 A HA 0.610 4.931 4.320 0.001 0.000 0.331 759 A C 0.198 177.751 177.584 -0.052 0.000 1.140 759 A CA -0.589 51.379 52.037 -0.114 0.000 0.801 759 A CB 1.778 20.644 19.000 -0.223 0.000 1.234 759 A HN 0.040 nan 8.150 nan 0.000 0.469 760 V N 2.382 122.273 119.914 -0.038 0.000 2.408 760 V HA 0.174 4.295 4.120 0.001 0.000 0.267 760 V C 0.538 176.612 176.094 -0.034 0.000 1.047 760 V CA -0.092 62.196 62.300 -0.019 0.000 0.937 760 V CB 0.712 32.511 31.823 -0.041 0.000 0.999 760 V HN 0.987 nan 8.190 nan 0.000 0.472 761 E N 4.003 124.175 120.200 -0.048 0.000 2.313 761 E HA 0.596 4.947 4.350 0.001 0.000 0.272 761 E C -1.280 175.033 176.600 -0.478 0.000 1.038 761 E CA -0.372 55.901 56.400 -0.212 0.000 0.863 761 E CB 1.593 31.207 29.700 -0.143 0.000 1.060 761 E HN 0.485 nan 8.360 nan 0.000 0.402 762 V N 3.652 123.347 119.914 -0.366 0.000 2.841 762 V HA 0.297 4.418 4.120 0.001 0.000 0.310 762 V C -0.891 175.159 176.094 -0.074 0.000 1.090 762 V CA -0.958 61.209 62.300 -0.222 0.000 0.930 762 V CB 2.254 34.095 31.823 0.030 0.000 1.014 762 V HN 0.742 nan 8.190 nan 0.000 0.425 763 D N 1.771 122.194 120.400 0.037 0.000 2.362 763 D HA 0.664 5.305 4.640 0.001 0.000 0.247 763 D C -1.267 175.132 176.300 0.166 0.000 1.050 763 D CA -0.078 54.004 54.000 0.138 0.000 0.839 763 D CB 2.566 43.501 40.800 0.224 0.000 1.283 763 D HN 0.296 nan 8.370 nan 0.000 0.477 764 V N 3.012 123.022 119.914 0.159 0.000 2.488 764 V HA 0.224 4.345 4.120 0.001 0.000 0.293 764 V C -0.581 175.576 176.094 0.105 0.000 1.027 764 V CA -0.927 61.467 62.300 0.156 0.000 0.862 764 V CB 2.060 34.021 31.823 0.230 0.000 1.008 764 V HN 0.383 nan 8.190 nan 0.000 0.428 765 D N 3.964 124.416 120.400 0.087 0.000 2.233 765 D HA 0.798 5.438 4.640 0.001 0.000 0.240 765 D C -0.035 176.293 176.300 0.046 0.000 1.074 765 D CA 0.193 54.228 54.000 0.059 0.000 0.838 765 D CB 2.478 43.309 40.800 0.052 0.000 1.124 765 D HN 0.785 nan 8.370 nan 0.000 0.475 766 A N 2.374 125.215 122.820 0.035 0.000 2.593 766 A HA 0.758 5.078 4.320 0.001 0.000 0.290 766 A C -1.188 176.406 177.584 0.017 0.000 1.126 766 A CA -0.664 51.385 52.037 0.020 0.000 0.695 766 A CB 1.346 20.349 19.000 0.006 0.000 1.290 766 A HN 0.497 nan 8.150 nan 0.000 0.414 767 I N 0.246 120.822 120.570 0.009 0.000 2.498 767 I HA 0.508 4.679 4.170 0.001 0.000 0.290 767 I C -0.766 175.345 176.117 -0.010 0.000 1.032 767 I CA -0.542 60.769 61.300 0.017 0.000 1.073 767 I CB 1.817 39.840 38.000 0.038 0.000 1.251 767 I HN 0.679 nan 8.210 nan 0.000 0.426 768 C N 5.158 124.454 119.300 -0.006 0.000 2.441 768 C HA 0.483 4.944 4.460 0.001 0.000 0.318 768 C C 0.232 175.250 174.990 0.046 0.000 1.222 768 C CA -0.448 58.560 59.018 -0.016 0.000 1.474 768 C CB 0.991 28.671 27.740 -0.101 0.000 2.125 768 C HN 0.932 nan 8.230 nan 0.000 0.479 769 D N 1.870 122.320 120.400 0.084 0.000 2.440 769 D HA 0.277 4.918 4.640 0.001 0.000 0.216 769 D C 1.397 177.775 176.300 0.129 0.000 1.150 769 D CA 0.560 54.616 54.000 0.092 0.000 0.832 769 D CB -0.045 40.801 40.800 0.077 0.000 0.992 769 D HN 1.415 nan 8.370 nan 0.000 0.502 770 G N 0.367 109.293 108.800 0.209 0.000 2.212 770 G HA2 -0.393 3.567 3.960 0.001 0.000 0.266 770 G HA3 -0.393 3.567 3.960 0.001 0.000 0.266 770 G C 0.922 175.950 174.900 0.213 0.000 0.978 770 G CA 0.601 45.848 45.100 0.245 0.000 0.632 770 G HN 0.462 nan 8.290 nan 0.000 0.537 771 E N -1.049 119.282 120.200 0.219 0.000 2.391 771 E HA 0.442 4.793 4.350 0.001 0.000 0.206 771 E C 1.125 177.860 176.600 0.226 0.000 0.851 771 E CA 0.700 57.180 56.400 0.135 0.000 1.059 771 E CB 0.296 30.050 29.700 0.089 0.000 1.065 771 E HN 0.736 nan 8.360 nan 0.000 0.512 772 M N -0.972 118.806 119.600 0.297 0.000 2.644 772 M HA 0.466 4.947 4.480 0.001 0.000 0.273 772 M C -1.914 174.473 176.300 0.145 0.000 1.253 772 M CA -0.852 54.618 55.300 0.282 0.000 0.852 772 M CB 2.362 35.051 32.600 0.149 0.000 1.708 772 M HN -0.305 nan 8.290 nan 0.000 0.471 773 V N 2.697 122.637 119.914 0.042 0.000 2.409 773 V HA 0.539 4.660 4.120 0.001 0.000 0.291 773 V C -1.070 175.009 176.094 -0.025 0.000 1.020 773 V CA -0.646 61.602 62.300 -0.087 0.000 0.848 773 V CB 1.490 33.159 31.823 -0.256 0.000 0.990 773 V HN 0.759 nan 8.190 nan 0.000 0.430 774 L N 6.641 127.855 121.223 -0.016 0.000 2.265 774 L HA 0.577 4.918 4.340 0.001 0.000 0.289 774 L C -0.358 176.510 176.870 -0.003 0.000 1.033 774 L CA -0.067 54.773 54.840 -0.001 0.000 0.814 774 L CB 0.845 42.911 42.059 0.011 0.000 1.203 774 L HN 0.412 nan 8.230 nan 0.000 0.423 775 I N 5.691 126.260 120.570 -0.002 0.000 2.505 775 I HA 0.165 4.335 4.170 0.001 0.000 0.287 775 I C 1.415 177.535 176.117 0.007 0.000 1.104 775 I CA 0.294 61.597 61.300 0.005 0.000 1.387 775 I CB 0.362 38.364 38.000 0.003 0.000 1.404 775 I HN 0.837 nan 8.210 nan 0.000 0.528 776 G N 5.035 113.844 108.800 0.016 0.000 2.459 776 G HA2 0.345 4.306 3.960 0.001 0.000 0.213 776 G HA3 0.345 4.306 3.960 0.001 0.000 0.213 776 G C 0.616 175.525 174.900 0.014 0.000 1.155 776 G CA 0.583 45.690 45.100 0.013 0.000 0.811 776 G HN 0.839 nan 8.290 nan 0.000 0.534 777 G N -0.578 108.244 108.800 0.037 0.000 2.476 777 G HA2 0.408 4.368 3.960 0.001 0.000 0.309 777 G HA3 0.408 4.368 3.960 0.001 0.000 0.309 777 G C -1.343 173.610 174.900 0.088 0.000 1.575 777 G CA -0.856 44.275 45.100 0.051 0.000 0.913 777 G HN 0.133 nan 8.290 nan 0.000 0.623 778 I N 2.305 122.927 120.570 0.087 0.000 2.312 778 I HA 0.391 4.561 4.170 0.001 0.000 0.290 778 I C 0.062 176.271 176.117 0.154 0.000 1.008 778 I CA -0.307 61.056 61.300 0.105 0.000 1.226 778 I CB 1.528 39.564 38.000 0.061 0.000 1.371 778 I HN 0.265 nan 8.210 nan 0.000 0.468 779 M N 5.834 125.548 119.600 0.190 0.000 2.364 779 M HA 0.345 4.825 4.480 0.001 0.000 0.334 779 M C -0.256 176.183 176.300 0.232 0.000 1.107 779 M CA -0.328 55.127 55.300 0.259 0.000 0.988 779 M CB 2.182 34.972 32.600 0.317 0.000 1.673 779 M HN 0.426 nan 8.290 nan 0.000 0.441 780 E N 2.710 123.079 120.200 0.281 0.000 2.133 780 E HA 0.254 4.605 4.350 0.001 0.000 0.274 780 E C -1.114 175.725 176.600 0.397 0.000 0.930 780 E CA -0.433 56.122 56.400 0.259 0.000 0.770 780 E CB 0.864 30.716 29.700 0.254 0.000 1.104 780 E HN 0.677 nan 8.360 nan 0.000 0.403 781 H N 3.557 122.743 119.070 0.193 0.000 2.629 781 H HA 0.039 4.595 4.556 0.001 0.000 0.357 781 H C 0.847 176.320 175.328 0.242 0.000 1.121 781 H CA -0.810 55.346 56.048 0.180 0.000 1.406 781 H CB 1.248 31.086 29.762 0.126 0.000 1.456 781 H HN 0.524 nan 8.280 nan 0.000 0.579 782 I N 1.404 122.193 120.570 0.365 0.000 2.206 782 I HA -0.126 4.044 4.170 0.001 0.000 0.239 782 I C 0.687 176.966 176.117 0.270 0.000 1.078 782 I CA 1.059 62.555 61.300 0.326 0.000 1.367 782 I CB -0.211 37.956 38.000 0.278 0.000 1.078 782 I HN 0.615 nan 8.210 nan 0.000 0.413 783 E N 2.063 122.402 120.200 0.232 0.000 2.392 783 E HA 0.047 4.398 4.350 0.001 0.000 0.264 783 E C 0.175 176.908 176.600 0.221 0.000 1.024 783 E CA -0.231 56.289 56.400 0.200 0.000 0.903 783 E CB 0.179 29.975 29.700 0.160 0.000 0.963 783 E HN 0.170 nan 8.360 nan 0.000 0.432 784 Q N 1.522 121.432 119.800 0.184 0.000 2.492 784 Q HA 0.232 4.572 4.340 0.001 0.000 0.238 784 Q C -0.359 175.749 176.000 0.179 0.000 1.045 784 Q CA -0.477 55.422 55.803 0.159 0.000 0.934 784 Q CB 0.472 29.293 28.738 0.138 0.000 1.276 784 Q HN 0.494 nan 8.270 nan 0.000 0.521 785 A N 0.151 123.042 122.820 0.118 0.000 2.546 785 A HA 0.415 4.735 4.320 0.001 0.000 0.243 785 A C 1.142 178.889 177.584 0.273 0.000 1.063 785 A CA 0.821 52.928 52.037 0.117 0.000 0.757 785 A CB -0.877 18.103 19.000 -0.034 0.000 0.991 785 A HN 1.377 nan 8.150 nan 0.000 0.503 786 G N 0.883 109.864 108.800 0.302 0.000 2.380 786 G HA2 -0.091 3.870 3.960 0.001 0.000 0.197 786 G HA3 -0.091 3.870 3.960 0.001 0.000 0.197 786 G C 0.022 175.017 174.900 0.159 0.000 1.001 786 G CA 0.001 45.293 45.100 0.319 0.000 0.668 786 G HN 1.393 nan 8.290 nan 0.000 0.483 787 V N 3.504 123.522 119.914 0.173 0.000 2.328 787 V HA 0.423 4.543 4.120 0.001 0.000 0.278 787 V C 0.727 176.917 176.094 0.160 0.000 1.021 787 V CA -1.061 61.331 62.300 0.153 0.000 0.838 787 V CB 1.183 33.093 31.823 0.144 0.000 0.999 787 V HN 0.426 nan 8.190 nan 0.000 0.447 788 H N 3.783 122.893 119.070 0.068 0.000 3.152 788 H HA -0.089 4.468 4.556 0.001 0.000 0.319 788 H C 1.725 177.065 175.328 0.019 0.000 0.994 788 H CA 1.119 57.198 56.048 0.051 0.000 1.370 788 H CB 1.149 30.925 29.762 0.024 0.000 1.322 788 H HN 0.892 nan 8.280 nan 0.000 0.590 789 S N 2.816 118.431 115.700 -0.142 0.000 2.392 789 S HA -0.177 4.294 4.470 0.001 0.000 0.232 789 S C 2.196 176.794 174.600 -0.004 0.000 1.041 789 S CA 1.218 59.367 58.200 -0.085 0.000 1.026 789 S CB -0.604 62.622 63.200 0.044 0.000 0.845 789 S HN 0.741 nan 8.310 nan 0.000 0.465 790 G N 0.342 109.381 108.800 0.398 0.000 2.598 790 G HA2 0.015 3.975 3.960 0.001 0.000 0.215 790 G HA3 0.015 3.975 3.960 0.001 0.000 0.215 790 G C 0.734 175.660 174.900 0.044 0.000 1.131 790 G CA 0.710 45.921 45.100 0.185 0.000 0.785 790 G HN 0.565 nan 8.290 nan 0.000 0.539 791 D N -0.396 120.044 120.400 0.066 0.000 2.469 791 D HA 0.170 4.810 4.640 0.001 0.000 0.213 791 D C 0.544 176.841 176.300 -0.006 0.000 1.135 791 D CA -0.003 54.011 54.000 0.023 0.000 0.834 791 D CB 0.786 41.627 40.800 0.069 0.000 1.009 791 D HN 0.137 nan 8.370 nan 0.000 0.507 792 S N 0.375 116.026 115.700 -0.081 0.000 2.578 792 S HA 0.725 5.196 4.470 0.001 0.000 0.283 792 S C 0.289 174.811 174.600 -0.130 0.000 1.195 792 S CA -0.909 57.224 58.200 -0.111 0.000 1.050 792 S CB 2.127 65.189 63.200 -0.231 0.000 1.012 792 S HN 0.186 nan 8.310 nan 0.000 0.511 793 A N 0.815 123.628 122.820 -0.012 0.000 2.332 793 A HA 0.652 4.973 4.320 0.001 0.000 0.258 793 A C 0.375 177.981 177.584 0.036 0.000 1.087 793 A CA -0.556 51.485 52.037 0.007 0.000 0.802 793 A CB -0.469 18.636 19.000 0.175 0.000 1.042 793 A HN 1.409 nan 8.150 nan 0.000 0.489 794 C N -0.548 118.762 119.300 0.017 0.000 3.239 794 C HA 0.867 5.328 4.460 0.001 0.000 0.317 794 C C -0.326 174.787 174.990 0.205 0.000 1.310 794 C CA -0.489 58.612 59.018 0.137 0.000 1.371 794 C CB 0.944 28.759 27.740 0.126 0.000 1.714 794 C HN 1.097 nan 8.230 nan 0.000 0.473 795 S N 0.958 116.867 115.700 0.349 0.000 2.500 795 S HA 0.815 5.286 4.470 0.001 0.000 0.301 795 S C -1.353 173.531 174.600 0.474 0.000 1.092 795 S CA -0.533 57.943 58.200 0.461 0.000 1.030 795 S CB 1.170 64.678 63.200 0.513 0.000 1.031 795 S HN 1.024 nan 8.310 nan 0.000 0.483 796 L N 6.294 127.816 121.223 0.498 0.000 2.446 796 L HA 0.584 4.924 4.340 0.001 0.000 0.268 796 L C -2.604 174.391 176.870 0.209 0.000 0.975 796 L CA -2.072 52.965 54.840 0.329 0.000 0.848 796 L CB 2.344 44.573 42.059 0.283 0.000 1.225 796 L HN 0.502 nan 8.230 nan 0.000 0.410 797 P HA 0.231 nan 4.420 nan 0.000 0.277 797 P C -0.631 176.862 177.300 0.323 0.000 1.271 797 P CA -0.405 62.761 63.100 0.111 0.000 0.795 797 P CB 0.669 32.343 31.700 -0.044 0.000 1.101 798 A N 0.665 123.634 122.820 0.248 0.000 2.583 798 A HA 0.010 4.331 4.320 0.001 0.000 0.231 798 A C 0.569 178.369 177.584 0.360 0.000 1.065 798 A CA 0.456 52.658 52.037 0.276 0.000 0.760 798 A CB -0.951 18.119 19.000 0.118 0.000 1.001 798 A HN 0.791 nan 8.150 nan 0.000 0.509 799 Y N -0.588 119.742 120.300 0.050 0.000 2.445 799 Y HA 0.304 4.854 4.550 0.001 0.000 0.247 799 Y C 1.435 177.225 175.900 -0.183 0.000 1.129 799 Y CA 0.592 58.630 58.100 -0.104 0.000 1.251 799 Y CB 0.229 38.323 38.460 -0.609 0.000 1.176 799 Y HN 0.650 nan 8.280 nan 0.000 0.522 800 T N -1.953 112.228 114.554 -0.622 0.000 3.048 800 T HA 0.295 4.645 4.350 0.001 0.000 0.254 800 T C 0.286 174.818 174.700 -0.280 0.000 0.942 800 T CA -0.207 61.574 62.100 -0.532 0.000 0.931 800 T CB -0.650 67.762 68.868 -0.759 0.000 1.220 800 T HN 0.140 nan 8.240 nan 0.000 0.503 801 L N 4.110 125.204 121.223 -0.214 0.000 2.485 801 L HA 0.369 4.709 4.340 0.001 0.000 0.275 801 L C 1.023 177.836 176.870 -0.095 0.000 1.207 801 L CA -0.489 54.272 54.840 -0.132 0.000 0.855 801 L CB 0.456 42.459 42.059 -0.094 0.000 1.114 801 L HN 0.458 nan 8.230 nan 0.000 0.485 802 S N 1.268 116.915 115.700 -0.088 0.000 2.603 802 S HA 0.053 4.524 4.470 0.001 0.000 0.268 802 S C 0.581 175.144 174.600 -0.062 0.000 1.317 802 S CA -0.582 57.576 58.200 -0.071 0.000 1.012 802 S CB 1.571 64.729 63.200 -0.069 0.000 0.926 802 S HN 0.663 nan 8.310 nan 0.000 0.539 803 Q N 0.823 120.593 119.800 -0.051 0.000 2.119 803 Q HA -0.132 4.209 4.340 0.001 0.000 0.201 803 Q C 2.045 178.011 176.000 -0.055 0.000 0.972 803 Q CA 2.178 57.953 55.803 -0.047 0.000 0.847 803 Q CB -0.398 28.318 28.738 -0.037 0.000 0.903 803 Q HN 0.956 nan 8.270 nan 0.000 0.433 804 E N -0.351 119.815 120.200 -0.056 0.000 2.023 804 E HA -0.220 4.130 4.350 0.001 0.000 0.196 804 E C 1.828 178.382 176.600 -0.078 0.000 1.003 804 E CA 1.449 57.813 56.400 -0.060 0.000 0.809 804 E CB -0.307 29.360 29.700 -0.055 0.000 0.755 804 E HN 0.437 nan 8.360 nan 0.000 0.449 805 I N 1.048 121.567 120.570 -0.086 0.000 2.394 805 I HA -0.243 3.928 4.170 0.001 0.000 0.251 805 I C 2.377 178.410 176.117 -0.139 0.000 1.136 805 I CA 1.400 62.633 61.300 -0.111 0.000 1.425 805 I CB -0.606 37.333 38.000 -0.102 0.000 1.079 805 I HN 0.360 nan 8.210 nan 0.000 0.425 806 Q N -0.035 119.697 119.800 -0.112 0.000 2.124 806 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 806 Q C 1.695 177.620 176.000 -0.125 0.000 0.977 806 Q CA 1.419 57.152 55.803 -0.117 0.000 0.850 806 Q CB -0.076 28.619 28.738 -0.072 0.000 0.901 806 Q HN 0.460 nan 8.270 nan 0.000 0.429 807 D N 0.120 120.462 120.400 -0.098 0.000 2.144 807 D HA -0.118 4.522 4.640 0.001 0.000 0.199 807 D C 1.986 178.225 176.300 -0.102 0.000 0.984 807 D CA 0.840 54.791 54.000 -0.083 0.000 0.834 807 D CB -0.002 40.761 40.800 -0.061 0.000 0.955 807 D HN 0.057 nan 8.370 nan 0.000 0.465 808 V N 1.120 120.955 119.914 -0.132 0.000 2.295 808 V HA -0.267 3.853 4.120 0.001 0.000 0.246 808 V C 2.592 178.555 176.094 -0.218 0.000 1.049 808 V CA 1.392 63.602 62.300 -0.151 0.000 1.024 808 V CB -0.449 31.276 31.823 -0.164 0.000 0.648 808 V HN 0.213 nan 8.190 nan 0.000 0.447 809 M N -0.720 118.666 119.600 -0.355 0.000 2.080 809 M HA -0.212 4.268 4.480 0.001 0.000 0.260 809 M C 2.506 178.652 176.300 -0.257 0.000 1.068 809 M CA 1.921 56.847 55.300 -0.623 0.000 1.109 809 M CB -0.628 31.474 32.600 -0.831 0.000 1.342 809 M HN 0.177 nan 8.290 nan 0.000 0.405 810 R N 0.323 120.733 120.500 -0.150 0.000 2.096 810 R HA -0.228 4.113 4.340 0.001 0.000 0.240 810 R C 2.383 178.667 176.300 -0.027 0.000 1.139 810 R CA 2.112 58.180 56.100 -0.053 0.000 0.952 810 R CB -0.512 29.759 30.300 -0.048 0.000 0.854 810 R HN 0.537 nan 8.270 nan 0.000 0.436 811 Q N 0.674 120.449 119.800 -0.043 0.000 2.079 811 Q HA -0.244 4.096 4.340 0.001 0.000 0.200 811 Q C 1.871 177.881 176.000 0.016 0.000 0.974 811 Q CA 1.622 57.419 55.803 -0.011 0.000 0.840 811 Q CB -0.079 28.646 28.738 -0.022 0.000 0.898 811 Q HN 0.428 nan 8.270 nan 0.000 0.430 812 Q N -0.091 119.716 119.800 0.012 0.000 2.170 812 Q HA -0.108 4.232 4.340 0.001 0.000 0.203 812 Q C 2.200 178.297 176.000 0.162 0.000 0.976 812 Q CA 1.589 57.450 55.803 0.098 0.000 0.858 812 Q CB 0.166 28.980 28.738 0.127 0.000 0.907 812 Q HN 0.290 nan 8.270 nan 0.000 0.433 813 V N 0.559 120.573 119.914 0.166 0.000 2.261 813 V HA -0.330 3.791 4.120 0.001 0.000 0.246 813 V C 2.283 178.378 176.094 0.002 0.000 1.047 813 V CA 2.261 64.642 62.300 0.135 0.000 1.015 813 V CB -0.659 31.240 31.823 0.126 0.000 0.642 813 V HN 0.464 nan 8.190 nan 0.000 0.446 814 Q N -0.042 119.735 119.800 -0.037 0.000 2.096 814 Q HA -0.292 4.048 4.340 0.001 0.000 0.204 814 Q C 2.270 178.206 176.000 -0.107 0.000 0.982 814 Q CA 2.121 57.832 55.803 -0.153 0.000 0.850 814 Q CB -0.105 28.605 28.738 -0.047 0.000 0.901 814 Q HN 0.588 nan 8.270 nan 0.000 0.422 815 K N -0.004 120.424 120.400 0.046 0.000 2.032 815 K HA -0.147 4.174 4.320 0.001 0.000 0.209 815 K C 2.099 178.758 176.600 0.099 0.000 1.048 815 K CA 1.615 57.972 56.287 0.116 0.000 0.927 815 K CB -0.152 32.405 32.500 0.096 0.000 0.712 815 K HN 0.215 nan 8.250 nan 0.000 0.441 816 L N 0.281 121.544 121.223 0.067 0.000 2.017 816 L HA -0.221 4.119 4.340 0.001 0.000 0.208 816 L C 2.517 179.408 176.870 0.035 0.000 1.073 816 L CA 1.271 56.156 54.840 0.075 0.000 0.745 816 L CB -0.621 41.495 42.059 0.095 0.000 0.894 816 L HN 0.245 nan 8.230 nan 0.000 0.432 817 A N 0.082 122.856 122.820 -0.076 0.000 1.903 817 A HA -0.265 4.055 4.320 0.001 0.000 0.219 817 A C 2.023 179.539 177.584 -0.113 0.000 1.191 817 A CA 2.145 54.070 52.037 -0.187 0.000 0.638 817 A CB -0.855 17.872 19.000 -0.454 0.000 0.823 817 A HN 0.322 nan 8.150 nan 0.000 0.451 818 F N -0.643 119.336 119.950 0.048 0.000 2.149 818 F HA 0.034 4.562 4.527 0.001 0.000 0.294 818 F C 2.324 178.148 175.800 0.039 0.000 1.095 818 F CA 1.201 59.224 58.000 0.039 0.000 1.276 818 F CB -1.011 38.008 39.000 0.033 0.000 1.023 818 F HN 0.304 nan 8.300 nan 0.000 0.480 819 E N 1.033 121.383 120.200 0.250 0.000 2.065 819 E HA -0.214 4.137 4.350 0.001 0.000 0.201 819 E C 2.021 178.696 176.600 0.125 0.000 1.016 819 E CA 1.689 58.182 56.400 0.155 0.000 0.818 819 E CB -0.676 29.097 29.700 0.122 0.000 0.749 819 E HN 0.419 nan 8.360 nan 0.000 0.453 820 L N -0.186 121.106 121.223 0.114 0.000 2.376 820 L HA 0.001 4.341 4.340 0.001 0.000 0.219 820 L C 0.417 177.339 176.870 0.085 0.000 1.133 820 L CA 0.686 55.583 54.840 0.095 0.000 0.816 820 L CB -0.239 41.873 42.059 0.088 0.000 0.933 820 L HN 0.236 nan 8.230 nan 0.000 0.449 821 Q N -0.572 119.292 119.800 0.107 0.000 2.464 821 Q HA -0.132 4.209 4.340 0.001 0.000 0.286 821 Q C -0.431 175.618 176.000 0.081 0.000 1.343 821 Q CA 0.029 55.897 55.803 0.108 0.000 0.772 821 Q CB -2.168 26.619 28.738 0.081 0.000 1.160 821 Q HN 0.216 nan 8.270 nan 0.000 0.422 822 V N 1.405 121.359 119.914 0.067 0.000 2.715 822 V HA 0.211 4.332 4.120 0.001 0.000 0.299 822 V C 0.782 176.907 176.094 0.051 0.000 1.054 822 V CA 0.387 62.712 62.300 0.043 0.000 1.077 822 V CB 1.154 32.984 31.823 0.013 0.000 0.972 822 V HN 0.201 nan 8.190 nan 0.000 0.484 823 R N 3.547 124.074 120.500 0.045 0.000 2.680 823 R HA 0.615 4.955 4.340 0.001 0.000 0.278 823 R C 0.205 176.530 176.300 0.041 0.000 1.582 823 R CA 0.270 56.396 56.100 0.044 0.000 1.177 823 R CB 0.926 31.247 30.300 0.035 0.000 1.232 823 R HN 1.108 nan 8.270 nan 0.000 0.528 824 G N 1.152 109.984 108.800 0.054 0.000 2.341 824 G HA2 -0.156 3.805 3.960 0.001 0.000 0.196 824 G HA3 -0.156 3.805 3.960 0.001 0.000 0.196 824 G C -1.116 173.843 174.900 0.099 0.000 1.231 824 G CA -0.973 44.178 45.100 0.085 0.000 1.155 824 G HN 0.280 nan 8.290 nan 0.000 0.529 825 L N 1.282 122.596 121.223 0.151 0.000 2.439 825 L HA 0.819 5.159 4.340 0.001 0.000 0.261 825 L C 0.931 177.849 176.870 0.079 0.000 1.153 825 L CA -0.138 54.769 54.840 0.111 0.000 0.808 825 L CB 1.249 43.379 42.059 0.118 0.000 1.126 825 L HN 0.957 nan 8.230 nan 0.000 0.460 826 M N 1.076 120.706 119.600 0.050 0.000 2.603 826 M HA 0.488 4.968 4.480 0.001 0.000 0.275 826 M C -1.823 174.492 176.300 0.025 0.000 1.226 826 M CA -0.761 54.557 55.300 0.031 0.000 0.870 826 M CB 2.378 34.986 32.600 0.013 0.000 1.716 826 M HN 0.529 nan 8.290 nan 0.000 0.482 827 N N 1.523 120.230 118.700 0.011 0.000 2.287 827 N HA 0.695 5.435 4.740 0.001 0.000 0.289 827 N C -2.411 173.077 175.510 -0.037 0.000 1.066 827 N CA -0.309 52.746 53.050 0.008 0.000 0.841 827 N CB 2.966 41.466 38.487 0.022 0.000 1.599 827 N HN 0.683 nan 8.380 nan 0.000 0.476 828 V N 2.167 122.050 119.914 -0.052 0.000 2.656 828 V HA 0.433 4.553 4.120 0.001 0.000 0.307 828 V C -0.480 175.443 176.094 -0.285 0.000 1.051 828 V CA -0.738 61.438 62.300 -0.207 0.000 0.893 828 V CB 1.872 33.544 31.823 -0.252 0.000 0.999 828 V HN 0.620 nan 8.190 nan 0.000 0.426 829 Q N 3.120 122.678 119.800 -0.404 0.000 2.333 829 Q HA 0.647 4.987 4.340 0.001 0.000 0.265 829 Q C -1.608 174.093 176.000 -0.498 0.000 0.989 829 Q CA -0.267 55.350 55.803 -0.310 0.000 0.842 829 Q CB 2.235 30.879 28.738 -0.156 0.000 1.262 829 Q HN 0.622 nan 8.270 nan 0.000 0.451 830 F N 0.622 120.561 119.950 -0.018 0.000 2.575 830 F HA 0.782 5.310 4.527 0.001 0.000 0.330 830 F C -0.041 175.739 175.800 -0.033 0.000 1.056 830 F CA -1.007 56.992 58.000 -0.001 0.000 0.964 830 F CB 1.690 40.687 39.000 -0.005 0.000 1.258 830 F HN 0.489 nan 8.300 nan 0.000 0.484 831 A N 0.906 123.877 122.820 0.252 0.000 2.381 831 A HA 0.729 5.050 4.320 0.001 0.000 0.299 831 A C -1.805 175.878 177.584 0.165 0.000 1.049 831 A CA -0.618 51.483 52.037 0.107 0.000 0.715 831 A CB 1.241 20.232 19.000 -0.015 0.000 1.222 831 A HN 0.485 nan 8.150 nan 0.000 0.428 832 V N 3.472 123.431 119.914 0.075 0.000 2.293 832 V HA 0.375 4.496 4.120 0.001 0.000 0.275 832 V C 0.103 176.225 176.094 0.048 0.000 1.021 832 V CA -0.326 62.024 62.300 0.083 0.000 0.815 832 V CB 0.978 32.808 31.823 0.012 0.000 1.025 832 V HN 0.813 nan 8.190 nan 0.000 0.448 833 K N 3.501 123.979 120.400 0.130 0.000 2.292 833 K HA 0.427 4.747 4.320 0.001 0.000 0.257 833 K C 0.298 176.973 176.600 0.124 0.000 0.940 833 K CA -0.630 55.693 56.287 0.060 0.000 0.811 833 K CB 0.913 33.370 32.500 -0.071 0.000 1.120 833 K HN 0.751 nan 8.250 nan 0.000 0.428 834 N N 3.240 121.968 118.700 0.046 0.000 2.714 834 N HA -0.295 4.445 4.740 0.001 0.000 0.252 834 N C -0.487 175.039 175.510 0.025 0.000 1.014 834 N CA 0.826 53.896 53.050 0.034 0.000 0.735 834 N CB -1.018 37.497 38.487 0.047 0.000 0.924 834 N HN 0.908 nan 8.380 nan 0.000 0.540 835 N N -1.019 117.685 118.700 0.006 0.000 2.741 835 N HA -0.218 4.523 4.740 0.001 0.000 0.250 835 N C -1.370 174.125 175.510 -0.025 0.000 1.115 835 N CA 1.173 54.211 53.050 -0.020 0.000 0.724 835 N CB -0.254 38.214 38.487 -0.032 0.000 1.090 835 N HN 0.581 nan 8.380 nan 0.000 0.558 836 E N 0.306 120.515 120.200 0.016 0.000 2.234 836 E HA 0.335 4.685 4.350 0.001 0.000 0.266 836 E C -0.568 176.020 176.600 -0.020 0.000 0.877 836 E CA -0.717 55.650 56.400 -0.056 0.000 0.758 836 E CB 2.561 32.208 29.700 -0.089 0.000 1.170 836 E HN -0.038 nan 8.360 nan 0.000 0.415 837 V N 4.055 123.881 119.914 -0.147 0.000 2.406 837 V HA 0.231 4.352 4.120 0.001 0.000 0.272 837 V C -0.863 175.179 176.094 -0.088 0.000 1.043 837 V CA -0.215 62.051 62.300 -0.057 0.000 0.915 837 V CB -0.241 31.493 31.823 -0.148 0.000 0.988 837 V HN 0.532 nan 8.190 nan 0.000 0.466 838 Y N 4.188 124.557 120.300 0.115 0.000 2.429 838 Y HA 0.575 5.126 4.550 0.001 0.000 0.342 838 Y C -0.158 175.863 175.900 0.202 0.000 1.004 838 Y CA -1.081 57.090 58.100 0.118 0.000 1.075 838 Y CB 1.881 40.368 38.460 0.045 0.000 1.214 838 Y HN 0.420 nan 8.280 nan 0.000 0.455 839 L N 3.884 125.282 121.223 0.291 0.000 2.281 839 L HA 0.343 4.683 4.340 0.001 0.000 0.285 839 L C 0.202 177.141 176.870 0.115 0.000 1.074 839 L CA 0.585 55.508 54.840 0.138 0.000 0.817 839 L CB 0.403 42.536 42.059 0.124 0.000 1.168 839 L HN 0.772 nan 8.230 nan 0.000 0.434 840 I N 2.875 123.448 120.570 0.005 0.000 2.628 840 I HA 0.094 4.265 4.170 0.001 0.000 0.255 840 I C 0.320 176.446 176.117 0.014 0.000 1.119 840 I CA 0.367 61.675 61.300 0.014 0.000 1.448 840 I CB 0.251 38.227 38.000 -0.041 0.000 1.133 840 I HN 0.766 nan 8.210 nan 0.000 0.438 841 E N -1.021 119.130 120.200 -0.082 0.000 2.398 841 E HA 0.372 4.722 4.350 0.001 0.000 0.280 841 E C -1.648 174.781 176.600 -0.284 0.000 1.122 841 E CA -0.831 55.428 56.400 -0.235 0.000 0.873 841 E CB 1.607 31.154 29.700 -0.255 0.000 1.294 841 E HN -0.233 nan 8.360 nan 0.000 0.435 842 V N 1.812 121.455 119.914 -0.451 0.000 2.540 842 V HA 0.493 4.613 4.120 0.001 0.000 0.302 842 V C -0.959 174.995 176.094 -0.234 0.000 1.035 842 V CA -0.944 61.189 62.300 -0.278 0.000 0.873 842 V CB 1.745 33.466 31.823 -0.171 0.000 0.992 842 V HN 0.635 nan 8.190 nan 0.000 0.428 843 N N 5.656 124.282 118.700 -0.122 0.000 2.696 843 N HA 0.313 5.054 4.740 0.001 0.000 0.246 843 N C -2.655 172.842 175.510 -0.023 0.000 1.057 843 N CA -1.290 51.720 53.050 -0.067 0.000 0.867 843 N CB 2.135 40.607 38.487 -0.026 0.000 1.141 843 N HN 0.366 nan 8.380 nan 0.000 0.517 844 P HA 0.027 nan 4.420 nan 0.000 0.249 844 P C -0.264 177.060 177.300 0.040 0.000 1.686 844 P CA 0.399 63.504 63.100 0.009 0.000 0.873 844 P CB -0.137 31.566 31.700 0.006 0.000 1.828 845 R N -1.872 118.663 120.500 0.059 0.000 2.844 845 R HA 0.791 5.132 4.340 0.001 0.000 0.264 845 R C -1.049 175.325 176.300 0.123 0.000 1.077 845 R CA -1.251 54.915 56.100 0.110 0.000 0.953 845 R CB 0.304 30.667 30.300 0.104 0.000 1.272 845 R HN -0.159 nan 8.270 nan 0.000 0.447 846 A N 0.515 123.429 122.820 0.157 0.000 2.401 846 A HA 0.656 4.976 4.320 0.001 0.000 0.259 846 A C -0.090 177.577 177.584 0.139 0.000 1.103 846 A CA 0.038 52.108 52.037 0.055 0.000 0.789 846 A CB 0.323 19.215 19.000 -0.180 0.000 1.035 846 A HN 0.785 nan 8.150 nan 0.000 0.491 847 A N 1.663 124.510 122.820 0.044 0.000 2.281 847 A HA 0.600 4.921 4.320 0.001 0.000 0.329 847 A C 1.252 178.714 177.584 -0.204 0.000 1.122 847 A CA -0.301 51.761 52.037 0.042 0.000 0.850 847 A CB 0.508 19.526 19.000 0.030 0.000 1.207 847 A HN 1.065 nan 8.150 nan 0.000 0.495 848 R N -0.431 119.894 120.500 -0.291 0.000 2.237 848 R HA -0.099 4.241 4.340 0.001 0.000 0.219 848 R C 0.822 176.944 176.300 -0.296 0.000 1.080 848 R CA 2.013 57.791 56.100 -0.537 0.000 0.995 848 R CB -0.896 29.152 30.300 -0.421 0.000 0.875 848 R HN 0.653 nan 8.270 nan 0.000 0.462 849 T N -1.731 112.741 114.554 -0.137 0.000 3.088 849 T HA 0.101 4.452 4.350 0.001 0.000 0.259 849 T C 1.894 176.595 174.700 0.000 0.000 1.122 849 T CA 0.398 62.485 62.100 -0.021 0.000 1.095 849 T CB 0.033 68.936 68.868 0.060 0.000 0.930 849 T HN 0.020 nan 8.240 nan 0.000 0.508 850 V N 3.019 122.878 119.914 -0.092 0.000 2.282 850 V HA -0.131 3.990 4.120 0.001 0.000 0.249 850 V C -0.157 175.869 176.094 -0.114 0.000 1.057 850 V CA 2.052 64.302 62.300 -0.083 0.000 1.032 850 V CB -1.384 30.371 31.823 -0.113 0.000 0.645 850 V HN 0.410 nan 8.190 nan 0.000 0.447 851 P HA -0.180 nan 4.420 nan 0.000 0.217 851 P C 1.724 178.873 177.300 -0.251 0.000 1.150 851 P CA 1.490 64.268 63.100 -0.537 0.000 0.832 851 P CB -0.168 30.826 31.700 -1.178 0.000 0.787 852 F N 0.565 120.370 119.950 -0.242 0.000 2.102 852 F HA -0.206 4.321 4.527 0.001 0.000 0.298 852 F C 1.910 177.687 175.800 -0.039 0.000 1.105 852 F CA 1.407 59.334 58.000 -0.123 0.000 1.239 852 F CB -0.729 38.217 39.000 -0.089 0.000 0.991 852 F HN -0.316 nan 8.300 nan 0.000 0.474 853 V N -0.048 119.781 119.914 -0.142 0.000 2.343 853 V HA -0.286 3.835 4.120 0.001 0.000 0.247 853 V C 2.405 178.415 176.094 -0.140 0.000 1.051 853 V CA 2.078 64.263 62.300 -0.192 0.000 1.036 853 V CB -0.920 30.894 31.823 -0.015 0.000 0.654 853 V HN 0.400 nan 8.190 nan 0.000 0.451 854 S N -0.500 115.162 115.700 -0.062 0.000 2.382 854 S HA -0.209 4.261 4.470 0.001 0.000 0.228 854 S C 2.024 176.655 174.600 0.052 0.000 1.027 854 S CA 1.398 59.608 58.200 0.017 0.000 0.991 854 S CB -0.257 63.013 63.200 0.116 0.000 0.823 854 S HN 0.416 nan 8.310 nan 0.000 0.469 855 K N 1.693 122.101 120.400 0.014 0.000 2.116 855 K HA 0.264 4.585 4.320 0.001 0.000 0.203 855 K C 2.105 178.791 176.600 0.144 0.000 1.052 855 K CA 1.005 57.351 56.287 0.099 0.000 0.952 855 K CB -0.614 31.871 32.500 -0.026 0.000 0.729 855 K HN 0.292 nan 8.250 nan 0.000 0.446 856 A N -0.054 122.716 122.820 -0.083 0.000 1.872 856 A HA -0.117 4.204 4.320 0.001 0.000 0.214 856 A C 2.177 179.838 177.584 0.129 0.000 1.187 856 A CA 2.106 54.144 52.037 0.002 0.000 0.614 856 A CB -1.032 17.794 19.000 -0.290 0.000 0.826 856 A HN 0.452 nan 8.150 nan 0.000 0.442 857 T N -4.491 110.065 114.554 0.003 0.000 3.067 857 T HA 0.351 4.702 4.350 0.001 0.000 0.261 857 T C 1.545 176.201 174.700 -0.073 0.000 1.110 857 T CA 1.269 63.350 62.100 -0.031 0.000 1.113 857 T CB -0.046 68.778 68.868 -0.073 0.000 0.917 857 T HN 1.722 nan 8.240 nan 0.000 0.499 858 G N 0.532 109.236 108.800 -0.160 0.000 2.179 858 G HA2 -0.232 3.729 3.960 0.001 0.000 0.260 858 G HA3 -0.232 3.729 3.960 0.001 0.000 0.260 858 G C 0.076 174.746 174.900 -0.383 0.000 0.977 858 G CA 0.067 44.644 45.100 -0.873 0.000 0.641 858 G HN 0.782 nan 8.290 nan 0.000 0.533 859 V N 2.319 122.137 119.914 -0.159 0.000 2.383 859 V HA 0.451 4.572 4.120 0.001 0.000 0.275 859 V C -1.610 174.485 176.094 0.002 0.000 1.036 859 V CA -1.334 60.923 62.300 -0.072 0.000 0.889 859 V CB 1.619 33.416 31.823 -0.043 0.000 0.985 859 V HN 0.138 nan 8.190 nan 0.000 0.459 860 P HA 0.211 nan 4.420 nan 0.000 0.230 860 P C 1.169 178.551 177.300 0.138 0.000 1.791 860 P CA -0.113 63.066 63.100 0.132 0.000 1.020 860 P CB 0.187 31.933 31.700 0.077 0.000 1.977 861 L N 0.944 122.233 121.223 0.110 0.000 2.054 861 L HA -0.337 4.004 4.340 0.001 0.000 0.220 861 L C 2.478 179.426 176.870 0.129 0.000 1.081 861 L CA 2.289 57.184 54.840 0.092 0.000 0.780 861 L CB -1.441 40.652 42.059 0.056 0.000 0.893 861 L HN 0.178 nan 8.230 nan 0.000 0.438 862 A N -0.164 122.749 122.820 0.155 0.000 1.908 862 A HA -0.225 4.095 4.320 0.001 0.000 0.218 862 A C 2.338 180.104 177.584 0.304 0.000 1.181 862 A CA 1.946 54.088 52.037 0.175 0.000 0.627 862 A CB -0.394 18.643 19.000 0.063 0.000 0.818 862 A HN 0.398 nan 8.150 nan 0.000 0.445 863 K N -0.455 120.082 120.400 0.229 0.000 1.991 863 K HA -0.105 4.215 4.320 0.001 0.000 0.212 863 K C 1.958 178.625 176.600 0.112 0.000 1.049 863 K CA 1.584 57.948 56.287 0.128 0.000 0.932 863 K CB -0.629 31.881 32.500 0.017 0.000 0.717 863 K HN 0.312 nan 8.250 nan 0.000 0.441 864 V N 1.701 121.675 119.914 0.100 0.000 2.255 864 V HA -0.289 3.831 4.120 0.001 0.000 0.247 864 V C 2.462 178.615 176.094 0.098 0.000 1.051 864 V CA 2.180 64.528 62.300 0.081 0.000 1.018 864 V CB -0.876 30.985 31.823 0.063 0.000 0.641 864 V HN 0.408 nan 8.190 nan 0.000 0.445 865 A N -0.233 122.673 122.820 0.144 0.000 2.019 865 A HA -0.090 4.231 4.320 0.001 0.000 0.219 865 A C 2.388 180.045 177.584 0.122 0.000 1.164 865 A CA 2.034 54.166 52.037 0.158 0.000 0.644 865 A CB -0.683 18.461 19.000 0.241 0.000 0.805 865 A HN 0.601 nan 8.150 nan 0.000 0.449 866 A N 0.070 122.976 122.820 0.143 0.000 1.873 866 A HA -0.151 4.170 4.320 0.001 0.000 0.215 866 A C 2.234 179.808 177.584 -0.016 0.000 1.186 866 A CA 1.420 53.463 52.037 0.009 0.000 0.616 866 A CB -0.449 18.580 19.000 0.049 0.000 0.823 866 A HN 0.560 nan 8.150 nan 0.000 0.442 867 R N -0.645 119.876 120.500 0.035 0.000 2.096 867 R HA -0.073 4.268 4.340 0.001 0.000 0.235 867 R C 2.014 178.334 176.300 0.033 0.000 1.127 867 R CA 1.363 57.488 56.100 0.042 0.000 0.968 867 R CB -0.622 29.714 30.300 0.059 0.000 0.861 867 R HN 0.390 nan 8.270 nan 0.000 0.440 868 V N 1.547 121.482 119.914 0.035 0.000 2.261 868 V HA -0.271 3.849 4.120 0.001 0.000 0.246 868 V C 2.381 178.481 176.094 0.009 0.000 1.047 868 V CA 1.843 64.163 62.300 0.032 0.000 1.015 868 V CB -0.378 31.472 31.823 0.045 0.000 0.642 868 V HN 0.322 nan 8.190 nan 0.000 0.446 869 M N -0.041 119.549 119.600 -0.018 0.000 2.202 869 M HA -0.167 4.314 4.480 0.001 0.000 0.262 869 M C 2.068 178.326 176.300 -0.070 0.000 1.063 869 M CA 2.037 57.305 55.300 -0.053 0.000 1.097 869 M CB -0.554 31.980 32.600 -0.109 0.000 1.382 869 M HN 0.398 nan 8.290 nan 0.000 0.413 870 A N -0.469 122.301 122.820 -0.083 0.000 2.235 870 A HA 0.349 4.670 4.320 0.001 0.000 0.208 870 A C 1.688 179.271 177.584 -0.001 0.000 1.172 870 A CA 0.987 52.958 52.037 -0.110 0.000 0.786 870 A CB -0.561 18.307 19.000 -0.220 0.000 0.804 870 A HN 0.670 nan 8.150 nan 0.000 0.479 871 G N -1.077 107.734 108.800 0.018 0.000 2.229 871 G HA2 -0.190 3.770 3.960 0.001 0.000 0.189 871 G HA3 -0.190 3.770 3.960 0.001 0.000 0.189 871 G C 0.248 175.179 174.900 0.052 0.000 1.000 871 G CA 0.160 45.286 45.100 0.043 0.000 0.663 871 G HN 0.556 nan 8.290 nan 0.000 0.493 872 K N 2.215 122.649 120.400 0.057 0.000 2.299 872 K HA 0.542 4.862 4.320 0.001 0.000 0.268 872 K C 1.134 177.761 176.600 0.045 0.000 1.075 872 K CA 0.291 56.609 56.287 0.052 0.000 0.936 872 K CB 0.447 32.983 32.500 0.061 0.000 1.228 872 K HN 0.505 nan 8.250 nan 0.000 0.454 873 S N 3.524 119.249 115.700 0.042 0.000 2.550 873 S HA -0.089 4.382 4.470 0.001 0.000 0.285 873 S C 1.444 176.068 174.600 0.041 0.000 1.326 873 S CA -0.180 58.046 58.200 0.043 0.000 1.037 873 S CB 0.389 63.613 63.200 0.041 0.000 0.838 873 S HN 0.674 nan 8.310 nan 0.000 0.519 874 L N 2.761 124.010 121.223 0.044 0.000 2.013 874 L HA -0.164 4.176 4.340 0.001 0.000 0.212 874 L C 3.096 179.985 176.870 0.032 0.000 1.073 874 L CA 1.877 56.740 54.840 0.039 0.000 0.753 874 L CB -1.280 40.804 42.059 0.042 0.000 0.890 874 L HN 0.970 nan 8.230 nan 0.000 0.432 875 A N -0.084 122.756 122.820 0.033 0.000 1.873 875 A HA -0.286 4.034 4.320 0.001 0.000 0.218 875 A C 2.160 179.757 177.584 0.022 0.000 1.193 875 A CA 2.108 54.161 52.037 0.027 0.000 0.629 875 A CB -0.636 18.381 19.000 0.027 0.000 0.826 875 A HN 0.470 nan 8.150 nan 0.000 0.447 876 E N -0.422 119.793 120.200 0.024 0.000 2.085 876 E HA -0.245 4.105 4.350 0.001 0.000 0.194 876 E C 2.267 178.879 176.600 0.020 0.000 0.994 876 E CA 1.599 58.011 56.400 0.021 0.000 0.801 876 E CB -0.177 29.538 29.700 0.025 0.000 0.743 876 E HN 0.790 nan 8.360 nan 0.000 0.453 877 Q N -1.057 118.756 119.800 0.023 0.000 2.311 877 Q HA 0.041 4.382 4.340 0.001 0.000 0.203 877 Q C 1.128 177.135 176.000 0.013 0.000 0.954 877 Q CA 0.663 56.477 55.803 0.019 0.000 0.885 877 Q CB 0.577 29.329 28.738 0.024 0.000 0.963 877 Q HN 0.361 nan 8.270 nan 0.000 0.471 878 G N 0.901 109.709 108.800 0.013 0.000 2.171 878 G HA2 -0.205 3.756 3.960 0.001 0.000 0.238 878 G HA3 -0.205 3.756 3.960 0.001 0.000 0.238 878 G C -0.130 174.774 174.900 0.006 0.000 1.039 878 G CA 0.024 45.129 45.100 0.008 0.000 0.759 878 G HN 0.201 nan 8.290 nan 0.000 0.501 879 V N 1.357 121.278 119.914 0.011 0.000 2.315 879 V HA 0.515 4.635 4.120 0.001 0.000 0.265 879 V C 1.032 177.133 176.094 0.012 0.000 1.019 879 V CA 0.444 62.749 62.300 0.008 0.000 0.824 879 V CB 0.617 32.446 31.823 0.010 0.000 1.072 879 V HN 0.654 nan 8.190 nan 0.000 0.448 880 T N -1.105 113.455 114.554 0.010 0.000 2.964 880 T HA 0.255 4.606 4.350 0.001 0.000 0.249 880 T C 0.611 175.317 174.700 0.009 0.000 1.000 880 T CA -0.194 61.915 62.100 0.014 0.000 0.992 880 T CB 0.487 69.365 68.868 0.016 0.000 1.087 880 T HN 0.359 nan 8.240 nan 0.000 0.489 881 K N 2.673 123.073 120.400 0.001 0.000 2.156 881 K HA 0.399 4.719 4.320 0.001 0.000 0.271 881 K C -0.277 176.316 176.600 -0.012 0.000 0.995 881 K CA -0.377 55.907 56.287 -0.005 0.000 0.890 881 K CB 2.240 34.735 32.500 -0.009 0.000 1.073 881 K HN 0.470 nan 8.250 nan 0.000 0.454 882 E N 2.362 122.554 120.200 -0.014 0.000 2.384 882 E HA 0.065 4.416 4.350 0.001 0.000 0.266 882 E C -0.845 175.734 176.600 -0.034 0.000 1.012 882 E CA -0.382 56.006 56.400 -0.020 0.000 0.901 882 E CB 0.792 30.482 29.700 -0.018 0.000 0.967 882 E HN 0.168 nan 8.360 nan 0.000 0.435 883 V N 5.983 125.872 119.914 -0.043 0.000 2.481 883 V HA 0.270 4.391 4.120 0.001 0.000 0.286 883 V C -0.033 176.012 176.094 -0.082 0.000 1.042 883 V CA -0.640 61.622 62.300 -0.062 0.000 0.928 883 V CB 1.415 33.197 31.823 -0.069 0.000 0.986 883 V HN 0.600 nan 8.190 nan 0.000 0.462 884 I N 6.212 126.720 120.570 -0.104 0.000 2.468 884 I HA 0.412 4.583 4.170 0.001 0.000 0.284 884 I C -2.347 173.646 176.117 -0.208 0.000 1.038 884 I CA -2.482 58.735 61.300 -0.139 0.000 1.083 884 I CB 1.564 39.498 38.000 -0.111 0.000 1.223 884 I HN 0.444 nan 8.210 nan 0.000 0.443 885 P HA 0.311 nan 4.420 nan 0.000 0.272 885 P C -2.214 174.773 177.300 -0.521 0.000 1.223 885 P CA -1.218 61.551 63.100 -0.551 0.000 0.784 885 P CB 0.059 31.154 31.700 -1.009 0.000 0.923 886 P HA 0.103 nan 4.420 nan 0.000 0.256 886 P C -0.793 176.434 177.300 -0.123 0.000 1.384 886 P CA 0.269 63.242 63.100 -0.212 0.000 0.879 886 P CB -0.381 31.291 31.700 -0.047 0.000 1.403 887 Y N -3.381 116.872 120.300 -0.080 0.000 2.644 887 Y HA 0.649 5.200 4.550 0.001 0.000 0.338 887 Y C -0.972 174.861 175.900 -0.112 0.000 1.119 887 Y CA -2.133 55.943 58.100 -0.040 0.000 1.060 887 Y CB 0.389 38.860 38.460 0.018 0.000 1.294 887 Y HN -0.350 nan 8.280 nan 0.000 0.472 888 Y N 0.732 121.214 120.300 0.303 0.000 2.323 888 Y HA 0.610 5.160 4.550 0.001 0.000 0.331 888 Y C -0.136 175.945 175.900 0.302 0.000 1.092 888 Y CA -0.221 58.032 58.100 0.254 0.000 1.150 888 Y CB 2.110 40.712 38.460 0.238 0.000 1.200 888 Y HN 0.645 nan 8.280 nan 0.000 0.472 889 S N 2.554 118.520 115.700 0.444 0.000 2.519 889 S HA 0.650 5.120 4.470 0.001 0.000 0.309 889 S C -1.144 173.761 174.600 0.508 0.000 1.100 889 S CA -0.706 57.724 58.200 0.384 0.000 1.059 889 S CB 1.116 64.433 63.200 0.195 0.000 1.008 889 S HN 0.332 nan 8.310 nan 0.000 0.478 890 V N 4.193 124.333 119.914 0.376 0.000 2.540 890 V HA 0.513 4.633 4.120 0.001 0.000 0.302 890 V C -0.050 176.094 176.094 0.084 0.000 1.035 890 V CA -0.804 61.639 62.300 0.238 0.000 0.873 890 V CB 1.847 33.683 31.823 0.022 0.000 0.992 890 V HN 0.697 nan 8.190 nan 0.000 0.428 891 K N 3.278 123.553 120.400 -0.209 0.000 2.182 891 K HA 0.634 4.954 4.320 0.001 0.000 0.262 891 K C -0.950 175.478 176.600 -0.287 0.000 0.957 891 K CA -0.394 55.624 56.287 -0.449 0.000 0.842 891 K CB 1.956 33.787 32.500 -1.115 0.000 1.099 891 K HN 0.777 nan 8.250 nan 0.000 0.438 892 E N 2.493 122.545 120.200 -0.246 0.000 2.336 892 E HA 0.373 4.724 4.350 0.001 0.000 0.267 892 E C -1.301 175.202 176.600 -0.162 0.000 0.906 892 E CA -0.866 55.411 56.400 -0.206 0.000 0.781 892 E CB 1.722 31.261 29.700 -0.269 0.000 1.261 892 E HN 0.357 nan 8.360 nan 0.000 0.436 893 V N 0.352 120.195 119.914 -0.120 0.000 3.177 893 V HA 0.899 5.020 4.120 0.001 0.000 0.319 893 V C -0.415 175.634 176.094 -0.075 0.000 1.125 893 V CA -0.501 61.741 62.300 -0.096 0.000 1.029 893 V CB 1.573 33.348 31.823 -0.081 0.000 1.119 893 V HN 0.660 nan 8.190 nan 0.000 0.452 894 V N 0.051 119.923 119.914 -0.070 0.000 2.577 894 V HA 0.754 4.875 4.120 0.001 0.000 0.303 894 V C -0.745 175.295 176.094 -0.089 0.000 1.042 894 V CA -0.575 61.688 62.300 -0.063 0.000 0.872 894 V CB 0.947 32.738 31.823 -0.054 0.000 0.998 894 V HN 0.885 nan 8.190 nan 0.000 0.423 895 L N 5.683 126.837 121.223 -0.115 0.000 2.331 895 L HA 0.672 5.012 4.340 0.001 0.000 0.275 895 L C -1.558 175.152 176.870 -0.267 0.000 1.022 895 L CA -1.462 53.217 54.840 -0.269 0.000 0.812 895 L CB 2.400 44.184 42.059 -0.458 0.000 1.257 895 L HN 0.456 nan 8.230 nan 0.000 0.435 896 P HA 0.068 nan 4.420 nan 0.000 0.257 896 P C 1.159 178.325 177.300 -0.224 0.000 1.281 896 P CA 0.176 63.122 63.100 -0.257 0.000 0.826 896 P CB 0.080 31.679 31.700 -0.169 0.000 1.237 897 F N 2.669 122.650 119.950 0.052 0.000 2.147 897 F HA -0.234 4.294 4.527 0.001 0.000 0.301 897 F C 2.189 177.967 175.800 -0.037 0.000 1.084 897 F CA 1.566 59.614 58.000 0.079 0.000 1.268 897 F CB -1.925 37.155 39.000 0.134 0.000 1.009 897 F HN 0.118 nan 8.300 nan 0.000 0.486 898 N N 0.598 119.338 118.700 0.067 0.000 2.348 898 N HA -0.192 4.548 4.740 0.001 0.000 0.185 898 N C 1.258 176.657 175.510 -0.185 0.000 1.019 898 N CA 1.130 54.158 53.050 -0.036 0.000 0.880 898 N CB -0.457 38.010 38.487 -0.034 0.000 0.965 898 N HN 0.182 nan 8.380 nan 0.000 0.437 899 K N -0.175 119.978 120.400 -0.413 0.000 2.243 899 K HA 0.081 4.402 4.320 0.001 0.000 0.201 899 K C -0.207 175.861 176.600 -0.885 0.000 1.051 899 K CA 0.345 56.169 56.287 -0.772 0.000 0.970 899 K CB -0.015 31.694 32.500 -1.319 0.000 0.755 899 K HN 0.288 nan 8.250 nan 0.000 0.465 900 F N 0.973 120.881 119.950 -0.069 0.000 2.531 900 F HA 0.291 4.818 4.527 0.001 0.000 0.333 900 F C -1.806 174.019 175.800 0.042 0.000 1.292 900 F CA -2.730 55.258 58.000 -0.019 0.000 1.184 900 F CB 1.187 40.136 39.000 -0.085 0.000 1.426 900 F HN -0.147 nan 8.300 nan 0.000 0.559 901 P HA -0.169 nan 4.420 nan 0.000 0.216 901 P C 1.844 179.200 177.300 0.094 0.000 1.154 901 P CA 1.592 64.740 63.100 0.080 0.000 0.865 901 P CB 0.174 31.883 31.700 0.016 0.000 0.789 902 G N -0.699 108.170 108.800 0.113 0.000 2.740 902 G HA2 0.051 4.011 3.960 0.001 0.000 0.208 902 G HA3 0.051 4.011 3.960 0.001 0.000 0.208 902 G C 0.304 175.267 174.900 0.105 0.000 1.148 902 G CA 0.037 45.190 45.100 0.088 0.000 0.795 902 G HN 0.217 nan 8.290 nan 0.000 0.526 903 V N 0.042 120.047 119.914 0.153 0.000 2.630 903 V HA 0.251 4.372 4.120 0.001 0.000 0.305 903 V C -0.440 175.679 176.094 0.042 0.000 1.046 903 V CA -1.196 61.203 62.300 0.166 0.000 0.934 903 V CB 2.046 34.084 31.823 0.359 0.000 1.003 903 V HN 0.094 nan 8.190 nan 0.000 0.451 904 D N 5.100 125.487 120.400 -0.022 0.000 2.336 904 D HA 0.220 4.860 4.640 0.001 0.000 0.249 904 D C -2.110 173.956 176.300 -0.390 0.000 1.213 904 D CA -2.003 51.912 54.000 -0.142 0.000 0.870 904 D CB 1.492 42.236 40.800 -0.093 0.000 1.076 904 D HN 0.252 nan 8.370 nan 0.000 0.483 905 P HA 0.124 nan 4.420 nan 0.000 0.232 905 P C -0.576 176.289 177.300 -0.724 0.000 1.738 905 P CA -0.166 62.189 63.100 -1.243 0.000 0.948 905 P CB -0.607 30.799 31.700 -0.490 0.000 1.943 906 L N -0.704 120.197 121.223 -0.536 0.000 2.362 906 L HA 0.538 4.879 4.340 0.001 0.000 0.271 906 L C -0.776 176.111 176.870 0.029 0.000 1.002 906 L CA -1.268 53.492 54.840 -0.134 0.000 0.818 906 L CB 1.562 43.578 42.059 -0.071 0.000 1.298 906 L HN -0.198 nan 8.230 nan 0.000 0.420 907 L N 3.706 124.990 121.223 0.101 0.000 2.417 907 L HA 0.812 5.152 4.340 0.001 0.000 0.268 907 L C 0.783 177.714 176.870 0.102 0.000 1.158 907 L CA 0.278 55.204 54.840 0.144 0.000 0.819 907 L CB 0.655 42.794 42.059 0.134 0.000 1.112 907 L HN 0.959 nan 8.230 nan 0.000 0.458 908 G N 0.969 109.835 108.800 0.110 0.000 2.634 908 G HA2 0.385 4.346 3.960 0.001 0.000 0.309 908 G HA3 0.385 4.346 3.960 0.001 0.000 0.309 908 G C -2.639 172.317 174.900 0.094 0.000 1.299 908 G CA -0.352 44.791 45.100 0.073 0.000 0.798 908 G HN 0.331 nan 8.290 nan 0.000 0.490 909 P HA 0.073 nan 4.420 nan 0.000 0.237 909 P C 0.182 177.578 177.300 0.161 0.000 1.178 909 P CA 0.782 63.941 63.100 0.099 0.000 0.766 909 P CB 0.432 32.143 31.700 0.019 0.000 0.876 910 E N 0.270 120.515 120.200 0.075 0.000 2.151 910 E HA 0.326 4.676 4.350 0.001 0.000 0.275 910 E C -0.445 176.088 176.600 -0.112 0.000 0.936 910 E CA -1.015 55.373 56.400 -0.021 0.000 0.777 910 E CB 0.856 30.518 29.700 -0.063 0.000 1.108 910 E HN -0.120 nan 8.360 nan 0.000 0.401 911 M N 4.689 124.053 119.600 -0.394 0.000 2.219 911 M HA 0.148 4.629 4.480 0.001 0.000 0.353 911 M C 0.009 176.174 176.300 -0.226 0.000 1.304 911 M CA 0.463 55.529 55.300 -0.390 0.000 1.115 911 M CB 0.403 32.571 32.600 -0.721 0.000 1.664 911 M HN 0.575 nan 8.290 nan 0.000 0.459 912 R N 1.365 121.791 120.500 -0.123 0.000 2.521 912 R HA 0.176 4.517 4.340 0.001 0.000 0.289 912 R C 0.069 176.338 176.300 -0.052 0.000 0.936 912 R CA 0.197 56.245 56.100 -0.088 0.000 1.089 912 R CB 0.681 30.967 30.300 -0.023 0.000 1.348 912 R HN 0.848 nan 8.270 nan 0.000 0.536 913 S N -0.531 115.122 115.700 -0.079 0.000 2.572 913 S HA 0.035 4.506 4.470 0.001 0.000 0.279 913 S C 1.151 175.724 174.600 -0.045 0.000 1.341 913 S CA 0.227 58.379 58.200 -0.080 0.000 1.043 913 S CB 1.483 64.640 63.200 -0.072 0.000 0.887 913 S HN 0.300 nan 8.310 nan 0.000 0.516 914 T N -0.891 113.636 114.554 -0.045 0.000 2.990 914 T HA 0.507 4.857 4.350 0.001 0.000 0.249 914 T C 0.801 175.483 174.700 -0.030 0.000 1.039 914 T CA 0.220 62.306 62.100 -0.024 0.000 1.036 914 T CB -0.113 68.741 68.868 -0.023 0.000 0.994 914 T HN 1.097 nan 8.240 nan 0.000 0.489 915 G N 0.531 109.304 108.800 -0.045 0.000 2.721 915 G HA2 0.624 4.584 3.960 0.001 0.000 0.296 915 G HA3 0.624 4.584 3.960 0.001 0.000 0.296 915 G C -2.061 172.799 174.900 -0.066 0.000 1.383 915 G CA -0.804 44.268 45.100 -0.046 0.000 0.788 915 G HN 0.506 nan 8.290 nan 0.000 0.500 916 E N -2.050 118.109 120.200 -0.069 0.000 2.430 916 E HA 0.653 5.003 4.350 0.001 0.000 0.279 916 E C -1.307 175.249 176.600 -0.074 0.000 1.003 916 E CA -0.961 55.384 56.400 -0.091 0.000 0.801 916 E CB 2.159 31.783 29.700 -0.127 0.000 1.313 916 E HN 1.188 nan 8.360 nan 0.000 0.459 917 V N -1.570 118.291 119.914 -0.088 0.000 3.141 917 V HA 0.772 4.892 4.120 0.001 0.000 0.312 917 V C -0.731 175.334 176.094 -0.049 0.000 1.157 917 V CA -1.058 61.205 62.300 -0.062 0.000 1.041 917 V CB 1.915 33.695 31.823 -0.071 0.000 1.071 917 V HN 0.912 nan 8.190 nan 0.000 0.441 918 M N 1.535 121.139 119.600 0.007 0.000 2.464 918 M HA 0.852 5.333 4.480 0.001 0.000 0.308 918 M C -0.356 175.959 176.300 0.026 0.000 1.127 918 M CA -0.243 55.110 55.300 0.089 0.000 0.913 918 M CB 2.139 34.840 32.600 0.168 0.000 1.689 918 M HN 1.214 nan 8.290 nan 0.000 0.445 919 G N 2.937 111.760 108.800 0.038 0.000 2.666 919 G HA2 0.625 4.586 3.960 0.001 0.000 0.303 919 G HA3 0.625 4.586 3.960 0.001 0.000 0.303 919 G C -1.795 173.128 174.900 0.038 0.000 1.412 919 G CA -0.432 44.657 45.100 -0.019 0.000 0.979 919 G HN 0.592 nan 8.290 nan 0.000 0.507 920 V N 1.460 121.376 119.914 0.003 0.000 2.398 920 V HA 0.918 5.038 4.120 0.001 0.000 0.286 920 V C 0.672 176.776 176.094 0.016 0.000 1.026 920 V CA -0.014 62.288 62.300 0.004 0.000 0.868 920 V CB 1.193 32.938 31.823 -0.130 0.000 0.982 920 V HN 1.085 nan 8.190 nan 0.000 0.443 921 G N 3.384 112.249 108.800 0.109 0.000 2.692 921 G HA2 0.502 4.462 3.960 0.001 0.000 0.291 921 G HA3 0.502 4.462 3.960 0.001 0.000 0.291 921 G C -0.142 174.889 174.900 0.219 0.000 1.423 921 G CA -0.810 44.356 45.100 0.111 0.000 0.843 921 G HN 0.541 nan 8.290 nan 0.000 0.486 922 R N -0.897 119.705 120.500 0.171 0.000 2.276 922 R HA 0.149 4.490 4.340 0.001 0.000 0.203 922 R C 0.831 177.304 176.300 0.289 0.000 1.017 922 R CA 1.255 57.480 56.100 0.208 0.000 1.010 922 R CB 0.067 30.445 30.300 0.131 0.000 0.900 922 R HN 0.626 nan 8.270 nan 0.000 0.469 923 T N -4.354 110.354 114.554 0.256 0.000 2.900 923 T HA 0.186 4.537 4.350 0.001 0.000 0.303 923 T C 0.330 175.044 174.700 0.023 0.000 1.142 923 T CA -0.929 61.295 62.100 0.206 0.000 1.007 923 T CB 1.318 70.252 68.868 0.111 0.000 1.156 923 T HN 0.023 nan 8.240 nan 0.000 0.490 924 F N 2.147 121.786 119.950 -0.517 0.000 2.120 924 F HA -0.004 4.524 4.527 0.001 0.000 0.300 924 F C 2.439 178.123 175.800 -0.192 0.000 1.095 924 F CA 2.190 59.815 58.000 -0.624 0.000 1.249 924 F CB -0.699 37.838 39.000 -0.773 0.000 0.995 924 F HN 0.798 nan 8.300 nan 0.000 0.480 925 A N -0.026 122.696 122.820 -0.164 0.000 1.877 925 A HA -0.248 4.072 4.320 0.001 0.000 0.216 925 A C 2.284 179.774 177.584 -0.157 0.000 1.186 925 A CA 1.823 53.760 52.037 -0.167 0.000 0.620 925 A CB -1.091 17.910 19.000 0.002 0.000 0.822 925 A HN 0.601 nan 8.150 nan 0.000 0.443 926 E N -0.256 119.893 120.200 -0.086 0.000 2.110 926 E HA -0.121 4.230 4.350 0.001 0.000 0.193 926 E C 2.187 178.733 176.600 -0.089 0.000 0.988 926 E CA 0.904 57.269 56.400 -0.058 0.000 0.804 926 E CB -0.210 29.487 29.700 -0.004 0.000 0.745 926 E HN 0.549 nan 8.360 nan 0.000 0.458 927 A N 0.749 123.506 122.820 -0.106 0.000 1.858 927 A HA -0.192 4.128 4.320 0.001 0.000 0.216 927 A C 1.998 179.461 177.584 -0.202 0.000 1.190 927 A CA 1.292 53.273 52.037 -0.094 0.000 0.617 927 A CB -1.011 17.992 19.000 0.005 0.000 0.827 927 A HN 0.453 nan 8.150 nan 0.000 0.443 928 F N 0.754 120.378 119.950 -0.543 0.000 2.126 928 F HA -0.142 4.386 4.527 0.001 0.000 0.299 928 F C 2.582 178.192 175.800 -0.317 0.000 1.096 928 F CA 1.412 59.084 58.000 -0.545 0.000 1.255 928 F CB -0.200 38.275 39.000 -0.875 0.000 0.997 928 F HN 0.257 nan 8.300 nan 0.000 0.479 929 A N -0.259 122.488 122.820 -0.121 0.000 1.930 929 A HA -0.191 4.129 4.320 0.001 0.000 0.217 929 A C 2.163 179.624 177.584 -0.205 0.000 1.175 929 A CA 1.772 53.727 52.037 -0.138 0.000 0.627 929 A CB -0.564 18.382 19.000 -0.090 0.000 0.815 929 A HN 0.425 nan 8.150 nan 0.000 0.443 930 K N -0.256 120.033 120.400 -0.186 0.000 2.057 930 K HA 0.022 4.342 4.320 0.001 0.000 0.206 930 K C 2.317 178.798 176.600 -0.198 0.000 1.050 930 K CA 1.088 57.277 56.287 -0.163 0.000 0.935 930 K CB -0.311 32.122 32.500 -0.112 0.000 0.715 930 K HN 0.417 nan 8.250 nan 0.000 0.439 931 A N 1.218 123.877 122.820 -0.267 0.000 1.877 931 A HA -0.266 4.054 4.320 0.001 0.000 0.216 931 A C 2.159 179.528 177.584 -0.359 0.000 1.186 931 A CA 1.603 53.459 52.037 -0.302 0.000 0.620 931 A CB -0.587 18.198 19.000 -0.359 0.000 0.822 931 A HN 0.362 nan 8.150 nan 0.000 0.443 932 Q N -0.954 118.542 119.800 -0.507 0.000 2.061 932 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 932 Q C 2.022 177.889 176.000 -0.222 0.000 0.984 932 Q CA 1.830 57.388 55.803 -0.409 0.000 0.846 932 Q CB -0.253 28.219 28.738 -0.443 0.000 0.902 932 Q HN 0.570 nan 8.270 nan 0.000 0.421 933 L N 0.086 121.189 121.223 -0.200 0.000 2.083 933 L HA -0.005 4.336 4.340 0.001 0.000 0.209 933 L C 2.064 178.881 176.870 -0.089 0.000 1.083 933 L CA 2.321 57.078 54.840 -0.139 0.000 0.752 933 L CB -0.880 41.078 42.059 -0.169 0.000 0.899 933 L HN 0.261 nan 8.230 nan 0.000 0.433 934 G N -1.360 107.376 108.800 -0.108 0.000 2.443 934 G HA2 -0.247 3.713 3.960 0.001 0.000 0.219 934 G HA3 -0.247 3.713 3.960 0.001 0.000 0.219 934 G C 1.460 176.323 174.900 -0.062 0.000 1.131 934 G CA 0.788 45.845 45.100 -0.072 0.000 0.775 934 G HN 0.585 nan 8.290 nan 0.000 0.547 935 S N -0.343 115.305 115.700 -0.087 0.000 2.701 935 S HA 0.051 4.521 4.470 0.001 0.000 0.220 935 S C 1.015 175.601 174.600 -0.024 0.000 0.954 935 S CA 0.616 58.776 58.200 -0.066 0.000 0.936 935 S CB -0.623 62.522 63.200 -0.091 0.000 0.777 935 S HN 0.565 nan 8.310 nan 0.000 0.518 936 N N 0.488 119.182 118.700 -0.010 0.000 2.776 936 N HA -0.194 4.546 4.740 0.001 0.000 0.249 936 N C -0.217 175.323 175.510 0.050 0.000 1.111 936 N CA 0.576 53.641 53.050 0.025 0.000 0.711 936 N CB -1.542 36.960 38.487 0.025 0.000 1.065 936 N HN 0.600 nan 8.380 nan 0.000 0.556 937 S N -0.524 115.197 115.700 0.036 0.000 2.579 937 S HA 0.219 4.689 4.470 0.001 0.000 0.275 937 S C 1.497 176.152 174.600 0.093 0.000 1.345 937 S CA 0.799 59.059 58.200 0.100 0.000 1.031 937 S CB 1.110 64.325 63.200 0.025 0.000 0.892 937 S HN 0.332 nan 8.310 nan 0.000 0.529 938 T N 2.040 116.697 114.554 0.172 0.000 3.134 938 T HA 0.265 4.616 4.350 0.001 0.000 0.260 938 T C 0.451 175.224 174.700 0.122 0.000 1.027 938 T CA -0.494 61.691 62.100 0.142 0.000 0.913 938 T CB -0.299 68.673 68.868 0.174 0.000 1.046 938 T HN 0.533 nan 8.240 nan 0.000 0.553 939 M N 3.151 122.775 119.600 0.040 0.000 2.245 939 M HA 0.222 4.703 4.480 0.001 0.000 0.335 939 M C -0.250 176.043 176.300 -0.012 0.000 1.155 939 M CA 0.152 55.440 55.300 -0.021 0.000 1.055 939 M CB 0.137 32.566 32.600 -0.284 0.000 1.670 939 M HN 0.045 nan 8.290 nan 0.000 0.447 940 K N 4.070 124.476 120.400 0.010 0.000 2.350 940 K HA 0.369 4.689 4.320 0.001 0.000 0.241 940 K C -0.327 176.252 176.600 -0.035 0.000 0.994 940 K CA -0.796 55.438 56.287 -0.089 0.000 0.839 940 K CB 1.332 33.633 32.500 -0.331 0.000 1.244 940 K HN 0.597 nan 8.250 nan 0.000 0.443 941 K N 1.264 121.616 120.400 -0.080 0.000 2.446 941 K HA 0.052 4.372 4.320 0.001 0.000 0.203 941 K C 0.379 176.875 176.600 -0.174 0.000 1.027 941 K CA 0.139 56.433 56.287 0.011 0.000 1.166 941 K CB 0.088 32.612 32.500 0.041 0.000 0.869 941 K HN 0.617 nan 8.250 nan 0.000 0.504 942 H N -2.828 115.961 119.070 -0.468 0.000 2.950 942 H HA 0.555 5.111 4.556 0.001 0.000 0.272 942 H C 0.154 174.964 175.328 -0.863 0.000 1.495 942 H CA -0.280 55.246 56.048 -0.869 0.000 1.183 942 H CB 0.874 30.412 29.762 -0.374 0.000 1.867 942 H HN 0.088 nan 8.280 nan 0.000 0.597 943 G N 0.584 109.158 108.800 -0.377 0.000 2.451 943 G HA2 -0.094 3.866 3.960 0.001 0.000 0.208 943 G HA3 -0.094 3.866 3.960 0.001 0.000 0.208 943 G C -1.078 173.876 174.900 0.090 0.000 1.248 943 G CA -0.245 44.825 45.100 -0.050 0.000 0.989 943 G HN 0.851 nan 8.290 nan 0.000 0.559 944 R N 0.216 120.887 120.500 0.286 0.000 2.494 944 R HA 0.717 5.058 4.340 0.001 0.000 0.305 944 R C 0.155 176.803 176.300 0.580 0.000 0.959 944 R CA 0.103 56.452 56.100 0.414 0.000 0.864 944 R CB 1.301 31.761 30.300 0.267 0.000 1.159 944 R HN 1.524 nan 8.270 nan 0.000 0.446 945 A N 3.964 127.084 122.820 0.500 0.000 2.306 945 A HA 0.544 4.864 4.320 0.001 0.000 0.330 945 A C -1.374 176.237 177.584 0.046 0.000 1.146 945 A CA -0.737 51.466 52.037 0.277 0.000 0.827 945 A CB 1.246 20.349 19.000 0.170 0.000 1.178 945 A HN 0.610 nan 8.150 nan 0.000 0.490 946 L N 2.220 123.269 121.223 -0.290 0.000 2.343 946 L HA 0.662 5.003 4.340 0.001 0.000 0.278 946 L C -1.620 175.060 176.870 -0.318 0.000 0.996 946 L CA -0.292 54.257 54.840 -0.485 0.000 0.831 946 L CB 1.100 42.524 42.059 -1.058 0.000 1.232 946 L HN 0.493 nan 8.230 nan 0.000 0.413 947 L N 4.306 125.417 121.223 -0.187 0.000 2.295 947 L HA 0.734 5.075 4.340 0.001 0.000 0.285 947 L C 0.163 176.964 176.870 -0.116 0.000 1.035 947 L CA -0.004 54.753 54.840 -0.138 0.000 0.806 947 L CB 1.708 43.720 42.059 -0.079 0.000 1.214 947 L HN 0.664 nan 8.230 nan 0.000 0.426 948 S N 2.507 118.142 115.700 -0.109 0.000 2.387 948 S HA 0.615 5.085 4.470 0.001 0.000 0.211 948 S C -0.800 173.764 174.600 -0.060 0.000 1.055 948 S CA -0.560 57.593 58.200 -0.078 0.000 1.133 948 S CB 0.343 63.485 63.200 -0.098 0.000 1.235 948 S HN 0.470 nan 8.310 nan 0.000 0.425 949 V N 2.768 122.660 119.914 -0.036 0.000 3.166 949 V HA 0.861 4.982 4.120 0.001 0.000 0.317 949 V C -0.193 175.894 176.094 -0.011 0.000 1.136 949 V CA -1.433 60.854 62.300 -0.022 0.000 1.035 949 V CB 1.426 33.242 31.823 -0.012 0.000 1.110 949 V HN 0.861 nan 8.190 nan 0.000 0.450 950 R N -0.477 120.020 120.500 -0.006 0.000 2.553 950 R HA 0.586 4.927 4.340 0.001 0.000 0.263 950 R C 0.903 177.204 176.300 0.003 0.000 1.066 950 R CA -0.490 55.604 56.100 -0.011 0.000 1.135 950 R CB 0.340 30.625 30.300 -0.024 0.000 1.148 950 R HN 0.630 nan 8.270 nan 0.000 0.558 951 E N 1.223 121.421 120.200 -0.003 0.000 2.103 951 E HA -0.248 4.103 4.350 0.001 0.000 0.229 951 E C 1.987 178.601 176.600 0.024 0.000 1.061 951 E CA 2.612 59.017 56.400 0.008 0.000 0.916 951 E CB -1.052 28.645 29.700 -0.004 0.000 0.806 951 E HN 0.913 nan 8.360 nan 0.000 0.489 952 G N 0.450 109.268 108.800 0.030 0.000 2.485 952 G HA2 -0.264 3.697 3.960 0.001 0.000 0.221 952 G HA3 -0.264 3.697 3.960 0.001 0.000 0.221 952 G C 1.155 176.089 174.900 0.055 0.000 1.115 952 G CA 1.176 46.305 45.100 0.048 0.000 0.751 952 G HN 0.219 nan 8.290 nan 0.000 0.567 953 D N -0.072 120.359 120.400 0.053 0.000 2.333 953 D HA 0.058 4.699 4.640 0.001 0.000 0.208 953 D C 2.320 178.655 176.300 0.059 0.000 0.984 953 D CA 0.275 54.314 54.000 0.066 0.000 0.873 953 D CB 0.020 40.855 40.800 0.060 0.000 0.935 953 D HN 0.250 nan 8.370 nan 0.000 0.521 954 K N 0.722 121.148 120.400 0.042 0.000 2.160 954 K HA -0.173 4.147 4.320 0.001 0.000 0.206 954 K C 1.911 178.537 176.600 0.044 0.000 1.047 954 K CA 0.971 57.280 56.287 0.036 0.000 0.930 954 K CB 0.130 32.647 32.500 0.028 0.000 0.720 954 K HN 0.177 nan 8.250 nan 0.000 0.450 955 E N 0.372 120.602 120.200 0.050 0.000 2.047 955 E HA -0.152 4.199 4.350 0.001 0.000 0.191 955 E C 2.096 178.742 176.600 0.076 0.000 0.987 955 E CA 0.970 57.401 56.400 0.053 0.000 0.799 955 E CB 0.152 29.878 29.700 0.045 0.000 0.752 955 E HN 0.172 nan 8.360 nan 0.000 0.449 956 R N 0.056 120.619 120.500 0.106 0.000 2.115 956 R HA -0.059 4.281 4.340 0.001 0.000 0.226 956 R C 2.351 178.789 176.300 0.230 0.000 1.100 956 R CA 0.538 56.750 56.100 0.188 0.000 0.980 956 R CB -0.135 30.307 30.300 0.236 0.000 0.875 956 R HN 0.098 nan 8.270 nan 0.000 0.445 957 V N 0.566 120.552 119.914 0.120 0.000 2.688 957 V HA -0.187 3.933 4.120 0.001 0.000 0.256 957 V C 1.836 177.949 176.094 0.033 0.000 1.084 957 V CA 1.484 63.808 62.300 0.039 0.000 1.103 957 V CB 0.011 31.841 31.823 0.012 0.000 0.688 957 V HN 0.132 nan 8.190 nan 0.000 0.480 958 V N 0.312 120.265 119.914 0.064 0.000 2.358 958 V HA -0.218 3.902 4.120 0.001 0.000 0.246 958 V C 2.335 178.468 176.094 0.066 0.000 1.047 958 V CA 2.415 64.745 62.300 0.051 0.000 1.035 958 V CB -0.720 31.133 31.823 0.050 0.000 0.658 958 V HN 0.707 nan 8.190 nan 0.000 0.452 959 D N -0.126 120.350 120.400 0.128 0.000 2.117 959 D HA -0.171 4.470 4.640 0.001 0.000 0.197 959 D C 1.956 178.335 176.300 0.132 0.000 0.987 959 D CA 1.142 55.243 54.000 0.168 0.000 0.829 959 D CB -0.131 40.820 40.800 0.250 0.000 0.961 959 D HN 0.283 nan 8.370 nan 0.000 0.460 960 L N 0.502 121.742 121.223 0.028 0.000 2.046 960 L HA -0.011 4.330 4.340 0.001 0.000 0.208 960 L C 2.184 178.973 176.870 -0.135 0.000 1.077 960 L CA 2.217 56.895 54.840 -0.269 0.000 0.747 960 L CB -1.083 40.564 42.059 -0.687 0.000 0.896 960 L HN 0.068 nan 8.230 nan 0.000 0.432 961 A N -0.359 122.420 122.820 -0.068 0.000 1.908 961 A HA -0.148 4.173 4.320 0.001 0.000 0.218 961 A C 2.476 180.057 177.584 -0.005 0.000 1.181 961 A CA 2.029 54.046 52.037 -0.033 0.000 0.627 961 A CB -1.268 17.728 19.000 -0.008 0.000 0.818 961 A HN 0.614 nan 8.150 nan 0.000 0.445 962 A N -0.433 122.397 122.820 0.017 0.000 1.908 962 A HA -0.194 4.127 4.320 0.001 0.000 0.218 962 A C 2.100 179.705 177.584 0.034 0.000 1.181 962 A CA 2.124 54.181 52.037 0.034 0.000 0.627 962 A CB -0.476 18.552 19.000 0.047 0.000 0.818 962 A HN 0.513 nan 8.150 nan 0.000 0.445 963 K N -0.545 119.869 120.400 0.023 0.000 2.044 963 K HA -0.093 4.228 4.320 0.001 0.000 0.210 963 K C 1.789 178.387 176.600 -0.003 0.000 1.049 963 K CA 1.632 57.928 56.287 0.016 0.000 0.927 963 K CB -0.374 32.127 32.500 0.002 0.000 0.713 963 K HN 0.497 nan 8.250 nan 0.000 0.443 964 L N 0.334 121.524 121.223 -0.054 0.000 2.141 964 L HA -0.158 4.182 4.340 0.001 0.000 0.209 964 L C 2.127 179.070 176.870 0.122 0.000 1.094 964 L CA 0.806 55.602 54.840 -0.072 0.000 0.763 964 L CB -0.243 41.691 42.059 -0.208 0.000 0.908 964 L HN 0.178 nan 8.230 nan 0.000 0.437 965 L N -0.573 120.704 121.223 0.091 0.000 2.044 965 L HA -0.199 4.142 4.340 0.001 0.000 0.205 965 L C 2.702 179.640 176.870 0.113 0.000 1.075 965 L CA 1.188 56.099 54.840 0.117 0.000 0.747 965 L CB -0.415 41.690 42.059 0.077 0.000 0.903 965 L HN 0.182 nan 8.230 nan 0.000 0.435 966 K N -0.335 120.116 120.400 0.086 0.000 2.074 966 K HA -0.244 4.076 4.320 0.001 0.000 0.209 966 K C 2.071 178.728 176.600 0.094 0.000 1.048 966 K CA 1.320 57.651 56.287 0.075 0.000 0.926 966 K CB -0.012 32.523 32.500 0.059 0.000 0.713 966 K HN 0.222 nan 8.250 nan 0.000 0.444 967 Q N -0.585 119.301 119.800 0.142 0.000 2.541 967 Q HA -0.064 4.277 4.340 0.001 0.000 0.215 967 Q C 0.785 176.892 176.000 0.179 0.000 0.977 967 Q CA 1.100 57.021 55.803 0.197 0.000 0.934 967 Q CB 0.302 29.234 28.738 0.324 0.000 0.988 967 Q HN 0.634 nan 8.270 nan 0.000 0.521 968 G N -0.061 108.831 108.800 0.155 0.000 2.132 968 G HA2 -0.263 3.698 3.960 0.001 0.000 0.234 968 G HA3 -0.263 3.698 3.960 0.001 0.000 0.234 968 G C -0.197 174.742 174.900 0.066 0.000 0.989 968 G CA -0.124 45.021 45.100 0.075 0.000 0.676 968 G HN 0.274 nan 8.290 nan 0.000 0.522 969 F N 0.762 120.743 119.950 0.052 0.000 2.379 969 F HA 0.564 5.092 4.527 0.001 0.000 0.332 969 F C 0.979 176.821 175.800 0.071 0.000 1.096 969 F CA -0.528 57.514 58.000 0.071 0.000 1.105 969 F CB 1.056 40.096 39.000 0.067 0.000 1.189 969 F HN 0.049 nan 8.300 nan 0.000 0.515 970 E N 2.792 123.163 120.200 0.285 0.000 2.249 970 E HA 0.445 4.795 4.350 0.001 0.000 0.280 970 E C -1.047 175.692 176.600 0.230 0.000 1.016 970 E CA -0.526 55.993 56.400 0.199 0.000 0.830 970 E CB 1.273 31.056 29.700 0.138 0.000 1.081 970 E HN 0.388 nan 8.360 nan 0.000 0.395 971 L N 2.330 123.651 121.223 0.164 0.000 2.331 971 L HA 0.537 4.878 4.340 0.001 0.000 0.275 971 L C -0.490 176.458 176.870 0.131 0.000 1.022 971 L CA -0.904 54.021 54.840 0.142 0.000 0.812 971 L CB 1.314 43.425 42.059 0.087 0.000 1.257 971 L HN 0.417 nan 8.230 nan 0.000 0.435 972 D N 0.793 121.271 120.400 0.131 0.000 2.601 972 D HA 0.846 5.487 4.640 0.001 0.000 0.230 972 D C -0.989 175.330 176.300 0.032 0.000 1.106 972 D CA -0.134 53.940 54.000 0.123 0.000 0.873 972 D CB 2.429 43.390 40.800 0.268 0.000 1.515 972 D HN 0.735 nan 8.370 nan 0.000 0.468 973 A N 0.166 123.001 122.820 0.024 0.000 2.610 973 A HA 0.730 5.051 4.320 0.001 0.000 0.291 973 A C -0.413 177.171 177.584 -0.000 0.000 1.086 973 A CA -0.777 51.252 52.037 -0.012 0.000 0.677 973 A CB 0.970 19.961 19.000 -0.014 0.000 1.278 973 A HN 0.469 nan 8.150 nan 0.000 0.414 974 T N -1.893 112.658 114.554 -0.005 0.000 2.881 974 T HA 0.436 4.786 4.350 0.001 0.000 0.278 974 T C 1.128 175.860 174.700 0.053 0.000 0.982 974 T CA 0.634 62.750 62.100 0.026 0.000 0.989 974 T CB 0.559 69.438 68.868 0.018 0.000 1.058 974 T HN 0.831 nan 8.240 nan 0.000 0.529 975 H N 1.266 120.335 119.070 -0.002 0.000 2.306 975 H HA -0.190 4.367 4.556 0.001 0.000 0.289 975 H C 2.425 177.757 175.328 0.007 0.000 1.081 975 H CA 3.021 59.074 56.048 0.007 0.000 1.163 975 H CB -0.964 28.807 29.762 0.016 0.000 1.357 975 H HN 0.829 nan 8.280 nan 0.000 0.524 976 G N -1.512 107.436 108.800 0.247 0.000 2.529 976 G HA2 -0.362 3.599 3.960 0.001 0.000 0.219 976 G HA3 -0.362 3.599 3.960 0.001 0.000 0.219 976 G C 1.779 176.709 174.900 0.050 0.000 1.177 976 G CA 1.708 46.899 45.100 0.152 0.000 0.773 976 G HN 0.524 nan 8.290 nan 0.000 0.573 977 T N 1.648 116.220 114.554 0.029 0.000 2.720 977 T HA -0.014 4.337 4.350 0.001 0.000 0.268 977 T C 2.802 177.492 174.700 -0.016 0.000 1.037 977 T CA 1.710 63.812 62.100 0.003 0.000 1.144 977 T CB -0.459 68.404 68.868 -0.008 0.000 0.864 977 T HN 0.427 nan 8.240 nan 0.000 0.444 978 A N 1.511 124.308 122.820 -0.038 0.000 1.940 978 A HA -0.070 4.251 4.320 0.001 0.000 0.219 978 A C 2.245 179.782 177.584 -0.079 0.000 1.176 978 A CA 1.087 53.084 52.037 -0.066 0.000 0.631 978 A CB -0.676 18.260 19.000 -0.107 0.000 0.814 978 A HN 0.403 nan 8.150 nan 0.000 0.446 979 I N -0.127 120.385 120.570 -0.097 0.000 2.099 979 I HA -0.210 3.961 4.170 0.001 0.000 0.239 979 I C 2.519 178.620 176.117 -0.027 0.000 1.066 979 I CA 1.479 62.736 61.300 -0.072 0.000 1.324 979 I CB -1.384 36.594 38.000 -0.036 0.000 1.037 979 I HN 0.164 nan 8.210 nan 0.000 0.401 980 V N 1.128 121.037 119.914 -0.008 0.000 2.392 980 V HA -0.253 3.867 4.120 0.001 0.000 0.249 980 V C 2.582 178.678 176.094 0.003 0.000 1.059 980 V CA 1.472 63.775 62.300 0.004 0.000 1.051 980 V CB -0.565 31.267 31.823 0.014 0.000 0.658 980 V HN 0.343 nan 8.190 nan 0.000 0.455 981 L N 0.210 121.431 121.223 -0.003 0.000 2.109 981 L HA -0.008 4.333 4.340 0.001 0.000 0.207 981 L C 2.675 179.545 176.870 -0.000 0.000 1.086 981 L CA 1.558 56.399 54.840 0.002 0.000 0.760 981 L CB -1.132 40.927 42.059 -0.000 0.000 0.910 981 L HN 0.445 nan 8.230 nan 0.000 0.437 982 G N -0.370 108.423 108.800 -0.011 0.000 2.418 982 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 982 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 982 G C 1.409 176.306 174.900 -0.005 0.000 1.158 982 G CA 0.505 45.597 45.100 -0.012 0.000 0.771 982 G HN 0.365 nan 8.290 nan 0.000 0.545 983 E N 0.094 120.292 120.200 -0.003 0.000 2.472 983 E HA 0.133 4.484 4.350 0.001 0.000 0.200 983 E C 2.386 178.991 176.600 0.008 0.000 1.046 983 E CA 0.479 56.881 56.400 0.003 0.000 0.871 983 E CB 0.011 29.714 29.700 0.005 0.000 0.806 983 E HN 0.452 nan 8.360 nan 0.000 0.533 984 A N -0.826 122.000 122.820 0.010 0.000 2.252 984 A HA 0.381 4.701 4.320 0.001 0.000 0.213 984 A C 1.582 179.175 177.584 0.014 0.000 1.188 984 A CA 0.631 52.676 52.037 0.014 0.000 0.863 984 A CB 0.370 19.381 19.000 0.018 0.000 0.893 984 A HN 0.280 nan 8.150 nan 0.000 0.495 985 G N -0.974 107.833 108.800 0.011 0.000 2.168 985 G HA2 -0.152 3.808 3.960 0.001 0.000 0.197 985 G HA3 -0.152 3.808 3.960 0.001 0.000 0.197 985 G C -0.031 174.878 174.900 0.014 0.000 0.997 985 G CA 0.045 45.152 45.100 0.012 0.000 0.658 985 G HN 0.376 nan 8.290 nan 0.000 0.513 986 I N 1.705 122.283 120.570 0.013 0.000 2.328 986 I HA 0.287 4.458 4.170 0.001 0.000 0.287 986 I C -0.259 175.864 176.117 0.011 0.000 1.012 986 I CA -0.597 60.712 61.300 0.016 0.000 1.195 986 I CB 1.202 39.214 38.000 0.019 0.000 1.350 986 I HN 0.119 nan 8.210 nan 0.000 0.464 987 N N 8.443 127.151 118.700 0.013 0.000 2.589 987 N HA 0.325 5.066 4.740 0.001 0.000 0.232 987 N C -2.372 173.147 175.510 0.015 0.000 1.015 987 N CA -1.318 51.737 53.050 0.007 0.000 0.931 987 N CB 0.816 39.306 38.487 0.005 0.000 1.150 987 N HN 0.347 nan 8.380 nan 0.000 0.512 988 P HA 0.101 nan 4.420 nan 0.000 0.276 988 P C -0.578 176.737 177.300 0.025 0.000 1.261 988 P CA -0.503 62.613 63.100 0.027 0.000 0.800 988 P CB 0.935 32.647 31.700 0.020 0.000 1.066 989 R N 1.083 121.610 120.500 0.045 0.000 2.234 989 R HA 0.291 4.632 4.340 0.001 0.000 0.324 989 R C -0.262 176.063 176.300 0.042 0.000 1.054 989 R CA -0.683 55.443 56.100 0.043 0.000 0.912 989 R CB -0.185 30.149 30.300 0.056 0.000 1.030 989 R HN 0.374 nan 8.270 nan 0.000 0.455 990 L N 5.206 126.442 121.223 0.023 0.000 2.453 990 L HA 0.218 4.559 4.340 0.001 0.000 0.272 990 L C -1.027 175.867 176.870 0.040 0.000 1.182 990 L CA 0.385 55.237 54.840 0.020 0.000 0.858 990 L CB 1.241 43.298 42.059 -0.003 0.000 1.120 990 L HN 0.435 nan 8.230 nan 0.000 0.474 991 V N 5.048 124.990 119.914 0.048 0.000 2.876 991 V HA 0.400 4.521 4.120 0.001 0.000 0.312 991 V C -0.359 175.763 176.094 0.048 0.000 1.085 991 V CA -0.855 61.483 62.300 0.063 0.000 0.945 991 V CB 2.380 34.270 31.823 0.111 0.000 1.017 991 V HN 0.879 nan 8.190 nan 0.000 0.428 992 N N 2.613 121.340 118.700 0.044 0.000 2.455 992 N HA 0.362 5.102 4.740 0.001 0.000 0.280 992 N C -0.328 175.181 175.510 -0.002 0.000 1.055 992 N CA -0.597 52.464 53.050 0.018 0.000 0.961 992 N CB 1.175 39.669 38.487 0.011 0.000 1.121 992 N HN 0.540 nan 8.380 nan 0.000 0.476 993 K N 0.442 120.771 120.400 -0.117 0.000 2.170 993 K HA 0.005 4.326 4.320 0.001 0.000 0.241 993 K C 1.004 177.475 176.600 -0.214 0.000 1.071 993 K CA -0.333 55.816 56.287 -0.231 0.000 0.822 993 K CB 0.375 32.618 32.500 -0.428 0.000 1.097 993 K HN 0.230 nan 8.250 nan 0.000 0.522 994 V N 0.513 120.277 119.914 -0.250 0.000 2.407 994 V HA -0.191 3.929 4.120 0.001 0.000 0.245 994 V C 1.949 178.036 176.094 -0.012 0.000 1.041 994 V CA 1.941 64.156 62.300 -0.142 0.000 1.040 994 V CB -1.121 30.510 31.823 -0.320 0.000 0.671 994 V HN 0.804 nan 8.190 nan 0.000 0.455 995 H N 0.098 119.192 119.070 0.040 0.000 2.546 995 H HA 0.024 4.580 4.556 0.001 0.000 0.277 995 H C 1.840 177.195 175.328 0.045 0.000 1.004 995 H CA 1.287 57.358 56.048 0.037 0.000 1.231 995 H CB -0.481 29.285 29.762 0.007 0.000 1.382 995 H HN 0.474 nan 8.280 nan 0.000 0.580 996 E N 0.250 120.327 120.200 -0.206 0.000 2.112 996 E HA 0.198 4.549 4.350 0.001 0.000 0.190 996 E C 1.052 177.657 176.600 0.008 0.000 0.979 996 E CA 0.651 57.016 56.400 -0.057 0.000 0.814 996 E CB 0.243 29.867 29.700 -0.128 0.000 0.762 996 E HN 0.665 nan 8.360 nan 0.000 0.460 997 G N -0.222 108.584 108.800 0.010 0.000 2.366 997 G HA2 0.109 4.069 3.960 0.001 0.000 0.190 997 G HA3 0.109 4.069 3.960 0.001 0.000 0.190 997 G C -1.282 173.568 174.900 -0.084 0.000 1.299 997 G CA -0.887 44.207 45.100 -0.011 0.000 1.056 997 G HN 0.024 nan 8.290 nan 0.000 0.468 998 R N 0.173 120.612 120.500 -0.103 0.000 2.740 998 R HA 0.639 4.979 4.340 0.001 0.000 0.273 998 R C -2.578 173.654 176.300 -0.115 0.000 0.998 998 R CA -1.211 54.779 56.100 -0.183 0.000 0.900 998 R CB 2.196 32.364 30.300 -0.219 0.000 1.223 998 R HN 0.500 nan 8.270 nan 0.000 0.466 999 P HA 0.212 nan 4.420 nan 0.000 0.279 999 P C -1.098 176.112 177.300 -0.150 0.000 1.252 999 P CA -0.432 62.529 63.100 -0.233 0.000 0.811 999 P CB 0.563 32.168 31.700 -0.159 0.000 1.035 1000 H N -0.326 118.734 119.070 -0.017 0.000 2.585 1000 H HA 0.263 4.820 4.556 0.001 0.000 0.338 1000 H C 1.102 176.436 175.328 0.010 0.000 1.295 1000 H CA -0.932 55.104 56.048 -0.020 0.000 1.356 1000 H CB 0.663 30.395 29.762 -0.049 0.000 1.736 1000 H HN 0.180 nan 8.280 nan 0.000 0.629 1001 I N -1.471 119.231 120.570 0.221 0.000 2.145 1001 I HA -0.349 3.821 4.170 0.001 0.000 0.244 1001 I C 2.413 178.620 176.117 0.151 0.000 1.075 1001 I CA 1.502 62.895 61.300 0.155 0.000 1.332 1001 I CB -1.010 37.006 38.000 0.027 0.000 1.033 1001 I HN 0.601 nan 8.210 nan 0.000 0.410 1002 Q N 1.150 120.971 119.800 0.034 0.000 2.045 1002 Q HA -0.275 4.066 4.340 0.001 0.000 0.206 1002 Q C 1.982 178.053 176.000 0.118 0.000 0.991 1002 Q CA 2.509 58.305 55.803 -0.011 0.000 0.851 1002 Q CB -0.488 28.079 28.738 -0.286 0.000 0.911 1002 Q HN 0.655 nan 8.270 nan 0.000 0.418 1003 D N -0.134 120.465 120.400 0.330 0.000 2.097 1003 D HA -0.157 4.484 4.640 0.001 0.000 0.195 1003 D C 2.088 178.397 176.300 0.015 0.000 0.989 1003 D CA 0.989 55.072 54.000 0.139 0.000 0.827 1003 D CB -0.116 40.712 40.800 0.047 0.000 0.966 1003 D HN 0.292 nan 8.370 nan 0.000 0.456 1004 R N 0.320 120.855 120.500 0.058 0.000 2.091 1004 R HA -0.078 4.263 4.340 0.001 0.000 0.238 1004 R C 2.611 178.865 176.300 -0.076 0.000 1.136 1004 R CA 0.614 56.687 56.100 -0.046 0.000 0.959 1004 R CB -0.403 29.872 30.300 -0.042 0.000 0.856 1004 R HN 0.279 nan 8.270 nan 0.000 0.437 1005 I N 1.344 121.958 120.570 0.074 0.000 2.142 1005 I HA -0.320 3.850 4.170 0.001 0.000 0.240 1005 I C 2.733 178.710 176.117 -0.234 0.000 1.078 1005 I CA 1.447 62.794 61.300 0.078 0.000 1.343 1005 I CB -0.333 37.747 38.000 0.134 0.000 1.046 1005 I HN 0.159 nan 8.210 nan 0.000 0.405 1006 K N 1.595 121.738 120.400 -0.429 0.000 2.074 1006 K HA -0.227 4.093 4.320 0.001 0.000 0.209 1006 K C 1.390 177.640 176.600 -0.583 0.000 1.048 1006 K CA 2.367 58.060 56.287 -0.989 0.000 0.926 1006 K CB -0.375 31.714 32.500 -0.685 0.000 0.713 1006 K HN 0.397 nan 8.250 nan 0.000 0.444 1007 N N -0.194 118.330 118.700 -0.293 0.000 2.571 1007 N HA 0.050 4.791 4.740 0.001 0.000 0.189 1007 N C 0.445 175.863 175.510 -0.153 0.000 1.154 1007 N CA 0.578 53.516 53.050 -0.187 0.000 0.907 1007 N CB 0.449 38.856 38.487 -0.132 0.000 0.977 1007 N HN 0.495 nan 8.380 nan 0.000 0.449 1008 G N 0.841 109.542 108.800 -0.165 0.000 2.160 1008 G HA2 -0.289 3.672 3.960 0.001 0.000 0.244 1008 G HA3 -0.289 3.672 3.960 0.001 0.000 0.244 1008 G C 0.645 175.486 174.900 -0.098 0.000 1.022 1008 G CA 0.014 45.069 45.100 -0.076 0.000 0.741 1008 G HN 0.383 nan 8.290 nan 0.000 0.508 1009 E N -1.383 118.677 120.200 -0.234 0.000 2.204 1009 E HA -0.029 4.321 4.350 0.001 0.000 0.194 1009 E C 0.275 176.647 176.600 -0.380 0.000 0.989 1009 E CA 0.917 57.079 56.400 -0.397 0.000 0.824 1009 E CB 0.103 29.378 29.700 -0.708 0.000 0.756 1009 E HN 0.707 nan 8.360 nan 0.000 0.477 1010 Y N -0.478 119.854 120.300 0.054 0.000 2.446 1010 Y HA 0.131 4.682 4.550 0.001 0.000 0.338 1010 Y C 1.437 177.412 175.900 0.125 0.000 1.055 1010 Y CA -0.528 57.630 58.100 0.096 0.000 1.101 1010 Y CB 1.659 40.163 38.460 0.072 0.000 1.221 1010 Y HN -0.179 nan 8.280 nan 0.000 0.460 1011 T N -2.456 112.318 114.554 0.366 0.000 2.985 1011 T HA 0.227 4.577 4.350 0.001 0.000 0.254 1011 T C -0.660 174.294 174.700 0.424 0.000 1.021 1011 T CA 0.110 62.391 62.100 0.302 0.000 0.957 1011 T CB -0.113 68.861 68.868 0.175 0.000 1.047 1011 T HN 0.484 nan 8.240 nan 0.000 0.511 1012 Y N 0.231 120.691 120.300 0.265 0.000 2.544 1012 Y HA 0.673 5.224 4.550 0.001 0.000 0.342 1012 Y C -2.224 173.706 175.900 0.050 0.000 1.062 1012 Y CA -2.507 55.688 58.100 0.158 0.000 1.023 1012 Y CB 1.610 40.083 38.460 0.023 0.000 1.308 1012 Y HN 0.151 nan 8.280 nan 0.000 0.457 1013 I N 6.850 126.871 120.570 -0.915 0.000 2.571 1013 I HA 0.401 4.572 4.170 0.001 0.000 0.289 1013 I C -1.550 174.013 176.117 -0.922 0.000 1.115 1013 I CA -0.849 59.998 61.300 -0.754 0.000 1.045 1013 I CB 2.203 39.988 38.000 -0.358 0.000 1.238 1013 I HN 0.535 nan 8.210 nan 0.000 0.424 1014 I N 6.973 127.153 120.570 -0.649 0.000 2.382 1014 I HA 0.405 4.576 4.170 0.001 0.000 0.285 1014 I C -0.992 175.004 176.117 -0.202 0.000 1.007 1014 I CA 0.151 61.238 61.300 -0.354 0.000 1.142 1014 I CB 0.971 38.854 38.000 -0.195 0.000 1.289 1014 I HN 0.599 nan 8.210 nan 0.000 0.453 1015 N N 5.744 124.370 118.700 -0.123 0.000 2.576 1015 N HA 0.314 5.054 4.740 0.001 0.000 0.269 1015 N C -1.269 174.220 175.510 -0.034 0.000 1.058 1015 N CA -0.272 52.726 53.050 -0.087 0.000 0.860 1015 N CB 1.164 39.583 38.487 -0.114 0.000 1.249 1015 N HN 0.676 nan 8.380 nan 0.000 0.525 1016 T N 0.476 115.014 114.554 -0.026 0.000 2.824 1016 T HA 0.569 4.920 4.350 0.001 0.000 0.280 1016 T C -0.184 174.507 174.700 -0.015 0.000 0.995 1016 T CA -0.263 61.836 62.100 -0.002 0.000 1.009 1016 T CB 1.794 70.674 68.868 0.019 0.000 0.955 1016 T HN 0.216 nan 8.240 nan 0.000 0.452 1017 T N 1.933 116.478 114.554 -0.015 0.000 2.906 1017 T HA 0.721 5.071 4.350 0.001 0.000 0.295 1017 T C -0.863 173.807 174.700 -0.049 0.000 1.075 1017 T CA -0.839 61.239 62.100 -0.037 0.000 1.005 1017 T CB 1.952 70.795 68.868 -0.041 0.000 1.136 1017 T HN 0.675 nan 8.240 nan 0.000 0.498 1018 S N 0.472 116.108 115.700 -0.106 0.000 2.706 1018 S HA 0.691 5.162 4.470 0.001 0.000 0.270 1018 S C -0.552 173.852 174.600 -0.328 0.000 1.163 1018 S CA -0.022 58.051 58.200 -0.213 0.000 1.042 1018 S CB 0.596 63.640 63.200 -0.259 0.000 1.079 1018 S HN 1.403 nan 8.310 nan 0.000 0.474 1019 G N 3.080 111.716 108.800 -0.273 0.000 2.801 1019 G HA2 0.043 4.003 3.960 0.001 0.000 0.648 1019 G HA3 0.043 4.003 3.960 0.001 0.000 0.648 1019 G C -0.106 174.752 174.900 -0.070 0.000 1.415 1019 G CA -0.881 44.095 45.100 -0.207 0.000 0.887 1019 G HN 0.501 nan 8.290 nan 0.000 0.627 1020 R N 0.309 120.804 120.500 -0.009 0.000 2.154 1020 R HA -0.055 4.285 4.340 0.001 0.000 0.248 1020 R C 2.608 178.901 176.300 -0.011 0.000 1.155 1020 R CA 1.963 58.067 56.100 0.007 0.000 0.979 1020 R CB -0.145 30.178 30.300 0.037 0.000 0.869 1020 R HN 0.539 nan 8.270 nan 0.000 0.452 1021 R N -1.029 119.456 120.500 -0.024 0.000 2.057 1021 R HA 0.133 4.473 4.340 0.001 0.000 0.224 1021 R C 1.931 178.208 176.300 -0.038 0.000 1.136 1021 R CA 1.214 57.297 56.100 -0.029 0.000 0.968 1021 R CB -0.500 29.780 30.300 -0.032 0.000 0.863 1021 R HN 0.241 nan 8.270 nan 0.000 0.433 1022 A N 1.132 123.920 122.820 -0.053 0.000 2.032 1022 A HA -0.165 4.156 4.320 0.001 0.000 0.221 1022 A C 2.184 179.740 177.584 -0.047 0.000 1.165 1022 A CA 1.292 53.296 52.037 -0.054 0.000 0.645 1022 A CB -0.488 18.466 19.000 -0.076 0.000 0.807 1022 A HN 0.273 nan 8.150 nan 0.000 0.453 1023 I N -1.145 119.397 120.570 -0.046 0.000 2.206 1023 I HA -0.174 3.997 4.170 0.001 0.000 0.239 1023 I C 2.408 178.503 176.117 -0.037 0.000 1.078 1023 I CA 1.295 62.570 61.300 -0.041 0.000 1.367 1023 I CB -0.386 37.595 38.000 -0.032 0.000 1.078 1023 I HN 0.370 nan 8.210 nan 0.000 0.413 1024 E N 0.601 120.783 120.200 -0.029 0.000 2.265 1024 E HA -0.232 4.118 4.350 0.001 0.000 0.196 1024 E C 1.378 177.962 176.600 -0.027 0.000 0.996 1024 E CA 0.989 57.374 56.400 -0.025 0.000 0.832 1024 E CB 0.030 29.720 29.700 -0.017 0.000 0.756 1024 E HN 0.433 nan 8.360 nan 0.000 0.491 1025 D N -0.308 120.076 120.400 -0.026 0.000 2.120 1025 D HA -0.066 4.575 4.640 0.001 0.000 0.202 1025 D C 1.943 178.232 176.300 -0.020 0.000 0.972 1025 D CA 1.184 55.175 54.000 -0.016 0.000 0.837 1025 D CB -0.100 40.694 40.800 -0.010 0.000 0.989 1025 D HN 0.073 nan 8.370 nan 0.000 0.469 1026 S N 0.322 116.002 115.700 -0.035 0.000 2.607 1026 S HA -0.009 4.461 4.470 0.001 0.000 0.224 1026 S C 1.742 176.295 174.600 -0.078 0.000 0.969 1026 S CA -0.117 58.050 58.200 -0.054 0.000 0.927 1026 S CB 0.140 63.305 63.200 -0.057 0.000 0.772 1026 S HN 0.129 nan 8.310 nan 0.000 0.533 1027 R N 1.460 121.919 120.500 -0.069 0.000 2.119 1027 R HA -0.137 4.203 4.340 0.001 0.000 0.246 1027 R C 2.146 178.386 176.300 -0.101 0.000 1.146 1027 R CA 1.808 57.858 56.100 -0.083 0.000 0.962 1027 R CB -0.909 29.354 30.300 -0.060 0.000 0.863 1027 R HN 0.432 nan 8.270 nan 0.000 0.442 1028 V N 1.010 120.871 119.914 -0.089 0.000 2.392 1028 V HA -0.231 3.889 4.120 0.001 0.000 0.249 1028 V C 2.151 178.174 176.094 -0.118 0.000 1.059 1028 V CA 1.964 64.206 62.300 -0.096 0.000 1.051 1028 V CB -0.238 31.526 31.823 -0.099 0.000 0.658 1028 V HN 0.323 nan 8.190 nan 0.000 0.455 1029 I N -0.036 120.453 120.570 -0.135 0.000 2.286 1029 I HA -0.201 3.969 4.170 0.001 0.000 0.248 1029 I C 2.743 178.709 176.117 -0.252 0.000 1.115 1029 I CA 1.947 63.148 61.300 -0.166 0.000 1.392 1029 I CB -0.422 37.478 38.000 -0.168 0.000 1.065 1029 I HN 0.225 nan 8.210 nan 0.000 0.418 1030 R N 0.060 120.387 120.500 -0.288 0.000 2.075 1030 R HA 0.012 4.352 4.340 0.001 0.000 0.226 1030 R C 2.445 178.507 176.300 -0.397 0.000 1.114 1030 R CA 0.897 56.715 56.100 -0.471 0.000 0.972 1030 R CB -0.237 29.841 30.300 -0.370 0.000 0.869 1030 R HN 0.284 nan 8.270 nan 0.000 0.437 1031 R N 0.222 120.584 120.500 -0.230 0.000 2.081 1031 R HA -0.058 4.283 4.340 0.001 0.000 0.235 1031 R C 2.317 178.535 176.300 -0.138 0.000 1.131 1031 R CA 1.796 57.800 56.100 -0.160 0.000 0.960 1031 R CB -0.280 29.960 30.300 -0.099 0.000 0.856 1031 R HN 0.149 nan 8.270 nan 0.000 0.436 1032 S N 1.237 116.881 115.700 -0.093 0.000 2.368 1032 S HA -0.124 4.347 4.470 0.001 0.000 0.225 1032 S C 2.203 176.838 174.600 0.058 0.000 1.030 1032 S CA 1.130 59.357 58.200 0.045 0.000 0.999 1032 S CB -0.239 63.039 63.200 0.129 0.000 0.844 1032 S HN 0.458 nan 8.310 nan 0.000 0.459 1033 A N 1.660 124.404 122.820 -0.127 0.000 1.902 1033 A HA -0.037 4.283 4.320 0.001 0.000 0.217 1033 A C 2.160 179.700 177.584 -0.074 0.000 1.181 1033 A CA 1.425 53.374 52.037 -0.147 0.000 0.623 1033 A CB -0.756 17.965 19.000 -0.464 0.000 0.818 1033 A HN 0.399 nan 8.150 nan 0.000 0.443 1034 L N -0.162 120.962 121.223 -0.166 0.000 2.017 1034 L HA -0.204 4.136 4.340 0.001 0.000 0.208 1034 L C 2.617 179.462 176.870 -0.042 0.000 1.073 1034 L CA 2.687 57.525 54.840 -0.005 0.000 0.745 1034 L CB -0.682 41.380 42.059 0.004 0.000 0.894 1034 L HN 0.625 nan 8.230 nan 0.000 0.432 1035 Q N -1.684 118.018 119.800 -0.163 0.000 2.170 1035 Q HA -0.239 4.101 4.340 0.001 0.000 0.203 1035 Q C 1.493 177.185 176.000 -0.513 0.000 0.976 1035 Q CA 1.893 57.480 55.803 -0.360 0.000 0.858 1035 Q CB -0.229 28.212 28.738 -0.495 0.000 0.907 1035 Q HN 0.694 nan 8.270 nan 0.000 0.433 1036 Y N 0.200 120.513 120.300 0.023 0.000 2.457 1036 Y HA 0.157 4.708 4.550 0.001 0.000 0.263 1036 Y C -0.034 175.904 175.900 0.064 0.000 1.164 1036 Y CA -0.218 57.906 58.100 0.040 0.000 1.274 1036 Y CB 0.866 39.350 38.460 0.041 0.000 1.097 1036 Y HN -0.038 nan 8.280 nan 0.000 0.523 1037 K N -0.945 119.541 120.400 0.144 0.000 3.218 1037 K HA -0.125 4.196 4.320 0.001 0.000 0.276 1037 K C -0.941 175.779 176.600 0.200 0.000 1.173 1037 K CA 0.340 56.720 56.287 0.154 0.000 0.812 1037 K CB -2.605 29.972 32.500 0.129 0.000 1.275 1037 K HN 0.118 nan 8.250 nan 0.000 0.504 1038 V N 1.275 121.322 119.914 0.222 0.000 2.383 1038 V HA 0.167 4.288 4.120 0.001 0.000 0.275 1038 V C 0.804 177.086 176.094 0.314 0.000 1.036 1038 V CA -0.811 61.639 62.300 0.250 0.000 0.889 1038 V CB 1.225 33.178 31.823 0.215 0.000 0.985 1038 V HN 0.352 nan 8.190 nan 0.000 0.459 1039 H N 5.223 124.443 119.070 0.249 0.000 2.964 1039 H HA 0.331 4.888 4.556 0.001 0.000 0.328 1039 H C -0.657 174.835 175.328 0.273 0.000 1.030 1039 H CA 0.310 56.505 56.048 0.245 0.000 1.445 1039 H CB 0.177 30.086 29.762 0.245 0.000 1.449 1039 H HN 0.704 nan 8.280 nan 0.000 0.581 1040 Y N 1.427 121.386 120.300 -0.568 0.000 2.534 1040 Y HA 0.446 4.997 4.550 0.001 0.000 0.345 1040 Y C -1.502 174.161 175.900 -0.396 0.000 1.031 1040 Y CA -1.366 56.486 58.100 -0.413 0.000 1.022 1040 Y CB 1.388 39.679 38.460 -0.281 0.000 1.292 1040 Y HN 0.415 nan 8.280 nan 0.000 0.459 1041 D N 1.516 121.816 120.400 -0.168 0.000 2.256 1041 D HA 0.250 4.891 4.640 0.001 0.000 0.246 1041 D C 0.277 176.582 176.300 0.008 0.000 1.042 1041 D CA -0.373 53.582 54.000 -0.075 0.000 0.841 1041 D CB 2.179 43.063 40.800 0.141 0.000 1.223 1041 D HN 0.807 nan 8.370 nan 0.000 0.470 1042 T N -2.429 112.139 114.554 0.024 0.000 3.134 1042 T HA 0.192 4.542 4.350 0.001 0.000 0.260 1042 T C 0.497 175.237 174.700 0.066 0.000 1.027 1042 T CA -0.250 61.891 62.100 0.068 0.000 0.913 1042 T CB -0.234 68.692 68.868 0.098 0.000 1.046 1042 T HN 0.405 nan 8.240 nan 0.000 0.553 1043 T N -1.255 113.345 114.554 0.076 0.000 2.933 1043 T HA 0.600 4.950 4.350 0.001 0.000 0.305 1043 T C 0.481 175.247 174.700 0.109 0.000 1.092 1043 T CA -0.878 61.283 62.100 0.100 0.000 1.008 1043 T CB 1.724 70.667 68.868 0.125 0.000 1.102 1043 T HN -0.078 nan 8.240 nan 0.000 0.469 1044 L N 2.172 123.471 121.223 0.126 0.000 2.056 1044 L HA 0.091 4.432 4.340 0.001 0.000 0.207 1044 L C 2.245 179.278 176.870 0.272 0.000 1.078 1044 L CA 1.674 56.604 54.840 0.151 0.000 0.749 1044 L CB -0.893 41.283 42.059 0.196 0.000 0.901 1044 L HN 0.719 nan 8.230 nan 0.000 0.433 1045 N N -0.225 118.635 118.700 0.267 0.000 2.104 1045 N HA -0.155 4.586 4.740 0.001 0.000 0.190 1045 N C 1.785 177.434 175.510 0.232 0.000 1.024 1045 N CA 1.415 54.634 53.050 0.281 0.000 0.853 1045 N CB -0.821 37.788 38.487 0.204 0.000 1.008 1045 N HN 0.459 nan 8.380 nan 0.000 0.424 1046 G N -0.168 108.741 108.800 0.182 0.000 2.421 1046 G HA2 -0.160 3.800 3.960 0.001 0.000 0.216 1046 G HA3 -0.160 3.800 3.960 0.001 0.000 0.216 1046 G C 1.620 176.603 174.900 0.139 0.000 1.171 1046 G CA 1.019 46.220 45.100 0.168 0.000 0.775 1046 G HN 0.437 nan 8.290 nan 0.000 0.543 1047 G N 0.257 109.129 108.800 0.120 0.000 2.442 1047 G HA2 -0.145 3.816 3.960 0.001 0.000 0.219 1047 G HA3 -0.145 3.816 3.960 0.001 0.000 0.219 1047 G C 1.582 176.419 174.900 -0.105 0.000 1.141 1047 G CA 0.635 45.767 45.100 0.053 0.000 0.763 1047 G HN 0.350 nan 8.290 nan 0.000 0.554 1048 F N 1.545 121.496 119.950 0.002 0.000 2.293 1048 F HA 0.134 4.661 4.527 0.001 0.000 0.300 1048 F C 2.904 178.646 175.800 -0.098 0.000 1.086 1048 F CA 0.772 58.751 58.000 -0.034 0.000 1.375 1048 F CB -0.088 38.907 39.000 -0.009 0.000 1.045 1048 F HN 0.241 nan 8.300 nan 0.000 0.516 1049 A N -0.574 122.222 122.820 -0.040 0.000 1.872 1049 A HA -0.126 4.195 4.320 0.001 0.000 0.214 1049 A C 2.243 179.542 177.584 -0.474 0.000 1.187 1049 A CA 2.033 53.793 52.037 -0.462 0.000 0.614 1049 A CB -1.236 17.067 19.000 -1.162 0.000 0.826 1049 A HN 0.292 nan 8.150 nan 0.000 0.442 1050 T N 0.558 114.987 114.554 -0.208 0.000 2.720 1050 T HA -0.089 4.261 4.350 0.001 0.000 0.268 1050 T C 2.190 176.798 174.700 -0.153 0.000 1.037 1050 T CA 1.684 63.754 62.100 -0.051 0.000 1.144 1050 T CB -0.456 68.383 68.868 -0.048 0.000 0.864 1050 T HN 0.589 nan 8.240 nan 0.000 0.444 1051 A N 1.630 124.341 122.820 -0.183 0.000 1.877 1051 A HA -0.063 4.258 4.320 0.001 0.000 0.216 1051 A C 2.379 179.928 177.584 -0.057 0.000 1.186 1051 A CA 1.507 53.447 52.037 -0.160 0.000 0.620 1051 A CB -0.658 18.260 19.000 -0.136 0.000 0.822 1051 A HN 0.428 nan 8.150 nan 0.000 0.443 1052 M N -0.544 119.048 119.600 -0.014 0.000 2.108 1052 M HA -0.190 4.291 4.480 0.001 0.000 0.261 1052 M C 2.528 178.832 176.300 0.005 0.000 1.066 1052 M CA 1.590 56.908 55.300 0.031 0.000 1.107 1052 M CB -0.690 31.968 32.600 0.097 0.000 1.356 1052 M HN 0.496 nan 8.290 nan 0.000 0.406 1053 A N 0.467 123.276 122.820 -0.018 0.000 2.019 1053 A HA -0.110 4.210 4.320 0.001 0.000 0.219 1053 A C 2.101 179.676 177.584 -0.015 0.000 1.164 1053 A CA 1.169 53.209 52.037 0.005 0.000 0.644 1053 A CB -0.935 18.142 19.000 0.128 0.000 0.805 1053 A HN 0.480 nan 8.150 nan 0.000 0.449 1054 L N -0.639 120.570 121.223 -0.024 0.000 2.265 1054 L HA -0.222 4.119 4.340 0.001 0.000 0.215 1054 L C 2.044 178.920 176.870 0.009 0.000 1.117 1054 L CA 1.460 56.297 54.840 -0.005 0.000 0.782 1054 L CB -0.583 41.484 42.059 0.014 0.000 0.914 1054 L HN 0.528 nan 8.230 nan 0.000 0.441 1055 N N -0.389 118.316 118.700 0.009 0.000 2.331 1055 N HA 0.017 4.758 4.740 0.001 0.000 0.180 1055 N C 0.737 176.249 175.510 0.003 0.000 1.019 1055 N CA 0.330 53.388 53.050 0.014 0.000 0.881 1055 N CB 0.114 38.615 38.487 0.024 0.000 0.972 1055 N HN 0.265 nan 8.380 nan 0.000 0.435 1056 A N 0.412 123.226 122.820 -0.009 0.000 2.252 1056 A HA 0.317 4.637 4.320 0.001 0.000 0.305 1056 A C -0.717 176.844 177.584 -0.039 0.000 1.097 1056 A CA -0.316 51.708 52.037 -0.022 0.000 0.849 1056 A CB 0.733 19.715 19.000 -0.030 0.000 1.142 1056 A HN 0.038 nan 8.150 nan 0.000 0.499 1057 D N 0.154 120.526 120.400 -0.047 0.000 2.440 1057 D HA 0.522 5.163 4.640 0.001 0.000 0.252 1057 D C 0.740 176.988 176.300 -0.086 0.000 1.180 1057 D CA 0.214 54.173 54.000 -0.069 0.000 0.894 1057 D CB 1.306 42.069 40.800 -0.062 0.000 1.111 1057 D HN 0.448 nan 8.370 nan 0.000 0.544 1058 A N 2.531 125.282 122.820 -0.115 0.000 2.019 1058 A HA -0.115 4.206 4.320 0.001 0.000 0.219 1058 A C 1.849 179.348 177.584 -0.142 0.000 1.164 1058 A CA 1.947 53.906 52.037 -0.130 0.000 0.644 1058 A CB -0.456 18.448 19.000 -0.159 0.000 0.805 1058 A HN 0.583 nan 8.150 nan 0.000 0.449 1059 T N -3.101 111.357 114.554 -0.160 0.000 3.107 1059 T HA 0.097 4.448 4.350 0.001 0.000 0.249 1059 T C 1.411 176.035 174.700 -0.127 0.000 1.096 1059 T CA 0.893 62.892 62.100 -0.169 0.000 1.012 1059 T CB 0.022 68.759 68.868 -0.219 0.000 0.977 1059 T HN 0.581 nan 8.240 nan 0.000 0.527 1060 E N 1.898 122.040 120.200 -0.097 0.000 2.017 1060 E HA -0.086 4.265 4.350 0.001 0.000 0.193 1060 E C 0.768 177.330 176.600 -0.063 0.000 0.997 1060 E CA 0.896 57.255 56.400 -0.069 0.000 0.804 1060 E CB 0.131 29.802 29.700 -0.049 0.000 0.757 1060 E HN 0.682 nan 8.360 nan 0.000 0.448 1061 K N -0.093 120.270 120.400 -0.061 0.000 2.464 1061 K HA 0.355 4.676 4.320 0.001 0.000 0.253 1061 K C -1.139 175.429 176.600 -0.054 0.000 0.933 1061 K CA -0.763 55.493 56.287 -0.051 0.000 0.801 1061 K CB 2.281 34.766 32.500 -0.026 0.000 1.271 1061 K HN 0.016 nan 8.250 nan 0.000 0.430 1062 V N 1.639 121.521 119.914 -0.053 0.000 2.715 1062 V HA 0.719 4.840 4.120 0.001 0.000 0.310 1062 V C -0.539 175.608 176.094 0.090 0.000 1.054 1062 V CA -0.843 61.441 62.300 -0.026 0.000 0.928 1062 V CB 1.522 33.245 31.823 -0.168 0.000 1.007 1062 V HN 0.877 nan 8.190 nan 0.000 0.437 1063 I N 3.252 123.924 120.570 0.169 0.000 2.686 1063 I HA 0.604 4.775 4.170 0.001 0.000 0.295 1063 I C 0.137 176.251 176.117 -0.006 0.000 1.114 1063 I CA -0.101 61.261 61.300 0.103 0.000 1.038 1063 I CB 2.706 40.667 38.000 -0.064 0.000 1.238 1063 I HN 1.111 nan 8.210 nan 0.000 0.420 1064 S N 4.949 120.489 115.700 -0.267 0.000 2.672 1064 S HA 0.339 4.810 4.470 0.001 0.000 0.276 1064 S C 0.922 175.270 174.600 -0.420 0.000 1.207 1064 S CA -0.639 57.166 58.200 -0.658 0.000 1.002 1064 S CB 1.817 64.556 63.200 -0.769 0.000 0.998 1064 S HN 0.445 nan 8.310 nan 0.000 0.542 1065 V N 1.969 121.627 119.914 -0.427 0.000 2.427 1065 V HA -0.149 3.972 4.120 0.001 0.000 0.248 1065 V C 2.686 178.535 176.094 -0.408 0.000 1.051 1065 V CA 1.898 63.930 62.300 -0.447 0.000 1.048 1065 V CB -1.415 30.189 31.823 -0.366 0.000 0.666 1065 V HN 0.831 nan 8.190 nan 0.000 0.456 1066 Q N 0.512 120.161 119.800 -0.253 0.000 2.050 1066 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 1066 Q C 2.226 178.174 176.000 -0.087 0.000 0.980 1066 Q CA 2.037 57.770 55.803 -0.117 0.000 0.840 1066 Q CB -0.344 28.339 28.738 -0.091 0.000 0.898 1066 Q HN 0.729 nan 8.270 nan 0.000 0.424 1067 E N -0.207 119.912 120.200 -0.134 0.000 2.106 1067 E HA -0.152 4.198 4.350 0.001 0.000 0.192 1067 E C 1.949 178.506 176.600 -0.072 0.000 0.984 1067 E CA 1.035 57.385 56.400 -0.084 0.000 0.806 1067 E CB -0.153 29.495 29.700 -0.087 0.000 0.750 1067 E HN 0.356 nan 8.360 nan 0.000 0.458 1068 M N 0.038 119.531 119.600 -0.178 0.000 2.065 1068 M HA -0.199 4.281 4.480 0.001 0.000 0.259 1068 M C 2.131 178.506 176.300 0.126 0.000 1.071 1068 M CA 1.787 56.975 55.300 -0.186 0.000 1.109 1068 M CB -0.542 31.770 32.600 -0.480 0.000 1.313 1068 M HN 0.235 nan 8.290 nan 0.000 0.408 1069 H N -0.543 118.554 119.070 0.044 0.000 2.353 1069 H HA -0.126 4.431 4.556 0.001 0.000 0.298 1069 H C 2.095 177.455 175.328 0.053 0.000 1.103 1069 H CA 0.951 57.037 56.048 0.064 0.000 1.293 1069 H CB -0.112 29.667 29.762 0.028 0.000 1.372 1069 H HN 0.488 nan 8.280 nan 0.000 0.501 1070 A N 0.736 123.646 122.820 0.149 0.000 2.125 1070 A HA -0.175 4.145 4.320 0.001 0.000 0.219 1070 A C 2.049 179.683 177.584 0.084 0.000 1.156 1070 A CA 1.199 53.289 52.037 0.087 0.000 0.671 1070 A CB -0.213 18.816 19.000 0.049 0.000 0.794 1070 A HN 0.487 nan 8.150 nan 0.000 0.459 1071 Q N -0.525 119.348 119.800 0.120 0.000 2.432 1071 Q HA 0.145 4.486 4.340 0.001 0.000 0.205 1071 Q C -0.161 175.898 176.000 0.099 0.000 0.945 1071 Q CA 0.028 55.903 55.803 0.120 0.000 0.924 1071 Q CB 0.014 28.866 28.738 0.190 0.000 1.016 1071 Q HN 0.661 nan 8.270 nan 0.000 0.503 1072 I N 1.781 122.412 120.570 0.101 0.000 2.441 1072 I HA 0.099 4.270 4.170 0.001 0.000 0.287 1072 I C 0.187 176.314 176.117 0.016 0.000 1.049 1072 I CA -0.222 61.103 61.300 0.042 0.000 1.381 1072 I CB 0.654 38.675 38.000 0.035 0.000 1.409 1072 I HN -0.183 nan 8.210 nan 0.000 0.523 1073 K N 0.000 120.396 120.400 -0.006 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 1073 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543