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 1m6v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVINVNSN 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 PLVVRPSXXX 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 0.000 176.241 176.300 -0.099 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 P HA 0.239 nan 4.420 nan 0.000 0.307 2 P C -0.841 176.089 177.300 -0.616 0.000 1.306 2 P CA -0.440 62.434 63.100 -0.376 0.000 0.742 2 P CB 0.108 31.696 31.700 -0.186 0.000 1.349 3 K N -0.075 119.810 120.400 -0.857 0.000 2.448 3 K HA 0.111 4.432 4.320 0.001 0.000 0.278 3 K C 0.177 176.696 176.600 -0.136 0.000 1.009 3 K CA -0.041 55.946 56.287 -0.501 0.000 0.995 3 K CB 0.170 32.588 32.500 -0.138 0.000 0.917 3 K HN 0.152 nan 8.250 nan 0.000 0.481 4 R N 1.371 121.860 120.500 -0.019 0.000 2.623 4 R HA -0.034 4.307 4.340 0.001 0.000 0.271 4 R C 0.565 176.923 176.300 0.097 0.000 1.043 4 R CA 0.439 56.560 56.100 0.035 0.000 1.083 4 R CB 0.593 30.920 30.300 0.046 0.000 0.974 4 R HN 0.855 nan 8.270 nan 0.000 0.436 5 T N -0.006 114.578 114.554 0.050 0.000 3.040 5 T HA -0.004 4.347 4.350 0.001 0.000 0.266 5 T C 0.383 175.112 174.700 0.048 0.000 1.005 5 T CA -0.037 62.088 62.100 0.042 0.000 0.906 5 T CB 0.154 69.024 68.868 0.004 0.000 1.082 5 T HN 0.677 nan 8.240 nan 0.000 0.531 6 D N 0.886 121.317 120.400 0.053 0.000 2.319 6 D HA 0.146 4.787 4.640 0.001 0.000 0.230 6 D C 0.335 176.674 176.300 0.066 0.000 1.094 6 D CA -0.062 53.965 54.000 0.046 0.000 0.856 6 D CB 0.095 40.914 40.800 0.032 0.000 0.915 6 D HN 0.454 nan 8.370 nan 0.000 0.517 7 I N -0.031 120.605 120.570 0.109 0.000 2.534 7 I HA 0.221 4.392 4.170 0.001 0.000 0.288 7 I C 0.300 176.561 176.117 0.239 0.000 1.077 7 I CA -0.678 60.713 61.300 0.152 0.000 1.051 7 I CB 2.341 40.430 38.000 0.147 0.000 1.234 7 I HN -0.319 nan 8.210 nan 0.000 0.425 8 K N 2.158 122.669 120.400 0.186 0.000 2.362 8 K HA 0.163 4.484 4.320 0.001 0.000 0.203 8 K C 0.405 177.144 176.600 0.232 0.000 1.198 8 K CA 0.208 56.596 56.287 0.168 0.000 0.908 8 K CB 0.504 33.040 32.500 0.060 0.000 1.236 8 K HN 0.602 nan 8.250 nan 0.000 0.487 9 S N 1.023 116.817 115.700 0.157 0.000 2.451 9 S HA 0.654 5.125 4.470 0.001 0.000 0.301 9 S C -0.357 174.297 174.600 0.090 0.000 1.116 9 S CA -0.822 57.450 58.200 0.121 0.000 1.093 9 S CB 0.786 64.029 63.200 0.072 0.000 1.017 9 S HN 0.102 nan 8.310 nan 0.000 0.482 10 I N 2.932 123.544 120.570 0.069 0.000 2.498 10 I HA 0.408 4.579 4.170 0.001 0.000 0.290 10 I C -0.995 175.129 176.117 0.011 0.000 1.032 10 I CA -0.901 60.408 61.300 0.015 0.000 1.073 10 I CB 2.026 40.003 38.000 -0.037 0.000 1.251 10 I HN 0.611 nan 8.210 nan 0.000 0.426 11 L N 7.788 129.009 121.223 -0.005 0.000 2.275 11 L HA 0.584 4.925 4.340 0.001 0.000 0.288 11 L C -0.758 176.106 176.870 -0.011 0.000 1.046 11 L CA 0.120 54.954 54.840 -0.011 0.000 0.805 11 L CB 0.606 42.645 42.059 -0.033 0.000 1.193 11 L HN 0.398 nan 8.230 nan 0.000 0.426 12 I N 6.210 126.780 120.570 -0.000 0.000 2.354 12 I HA 0.274 4.444 4.170 0.001 0.000 0.292 12 I C -0.533 175.584 176.117 -0.001 0.000 0.989 12 I CA -0.647 60.652 61.300 -0.001 0.000 1.188 12 I CB 1.382 39.386 38.000 0.007 0.000 1.342 12 I HN 0.459 nan 8.210 nan 0.000 0.457 13 L N 6.164 127.381 121.223 -0.010 0.000 2.278 13 L HA 0.408 4.749 4.340 0.001 0.000 0.287 13 L C 0.928 177.787 176.870 -0.018 0.000 1.072 13 L CA -0.350 54.480 54.840 -0.017 0.000 0.819 13 L CB 0.713 42.755 42.059 -0.028 0.000 1.176 13 L HN 0.680 nan 8.230 nan 0.000 0.435 14 G N 1.702 110.499 108.800 -0.005 0.000 2.599 14 G HA2 0.370 4.331 3.960 0.001 0.000 0.264 14 G HA3 0.370 4.331 3.960 0.001 0.000 0.264 14 G C 0.781 175.663 174.900 -0.030 0.000 1.200 14 G CA 0.134 45.237 45.100 0.004 0.000 0.896 14 G HN 0.781 nan 8.290 nan 0.000 0.536 15 A N -0.621 122.186 122.820 -0.022 0.000 2.123 15 A HA 0.549 4.870 4.320 0.001 0.000 0.214 15 A C 1.595 179.160 177.584 -0.033 0.000 1.152 15 A CA 1.541 53.529 52.037 -0.081 0.000 0.728 15 A CB -0.835 18.087 19.000 -0.130 0.000 0.814 15 A HN 2.548 nan 8.150 nan 0.000 0.464 16 G N -0.967 107.835 108.800 0.003 0.000 2.660 16 G HA2 -0.053 3.908 3.960 0.001 0.000 0.247 16 G HA3 -0.053 3.908 3.960 0.001 0.000 0.247 16 G C -3.059 171.847 174.900 0.011 0.000 1.328 16 G CA -0.473 44.627 45.100 0.000 0.000 0.884 16 G HN 0.318 nan 8.290 nan 0.000 0.531 17 P HA 0.356 nan 4.420 nan 0.000 0.269 17 P C 0.416 177.718 177.300 0.004 0.000 1.209 17 P CA -0.209 62.885 63.100 -0.009 0.000 0.776 17 P CB 0.329 32.012 31.700 -0.029 0.000 0.876 18 I N 2.554 123.126 120.570 0.004 0.000 2.618 18 I HA 0.088 4.259 4.170 0.001 0.000 0.284 18 I C 0.943 177.056 176.117 -0.008 0.000 1.146 18 I CA 0.040 61.349 61.300 0.015 0.000 1.425 18 I CB -0.032 37.971 38.000 0.006 0.000 1.383 18 I HN 0.202 nan 8.210 nan 0.000 0.562 19 V N 4.706 124.618 119.914 -0.004 0.000 3.160 19 V HA 0.564 4.685 4.120 0.001 0.000 0.310 19 V C -0.069 175.997 176.094 -0.047 0.000 1.181 19 V CA -1.203 61.075 62.300 -0.036 0.000 1.047 19 V CB 2.009 33.805 31.823 -0.045 0.000 1.068 19 V HN 0.448 nan 8.190 nan 0.000 0.441 20 I N 2.166 122.682 120.570 -0.089 0.000 2.683 20 I HA 0.428 4.599 4.170 0.001 0.000 0.286 20 I C 1.554 177.606 176.117 -0.109 0.000 1.175 20 I CA 1.926 63.157 61.300 -0.116 0.000 1.429 20 I CB 0.645 38.538 38.000 -0.179 0.000 1.371 20 I HN 1.269 nan 8.210 nan 0.000 0.569 21 G N 4.744 113.487 108.800 -0.095 0.000 2.241 21 G HA2 -0.301 3.660 3.960 0.001 0.000 0.244 21 G HA3 -0.301 3.660 3.960 0.001 0.000 0.244 21 G C 0.297 175.217 174.900 0.033 0.000 0.998 21 G CA 0.275 45.328 45.100 -0.078 0.000 0.621 21 G HN 0.638 nan 8.290 nan 0.000 0.519 22 Q N -0.019 119.822 119.800 0.067 0.000 3.412 22 Q HA 0.700 5.041 4.340 0.001 0.000 0.219 22 Q C 0.126 176.254 176.000 0.214 0.000 0.913 22 Q CA 0.442 56.380 55.803 0.225 0.000 0.722 22 Q CB 0.587 29.403 28.738 0.130 0.000 1.385 22 Q HN 0.935 nan 8.270 nan 0.000 0.461 23 A N 0.524 123.436 122.820 0.155 0.000 3.944 23 A HA 0.376 4.697 4.320 0.001 0.000 0.151 23 A C 1.131 178.741 177.584 0.042 0.000 1.301 23 A CA -0.030 52.052 52.037 0.074 0.000 1.020 23 A CB -0.422 18.577 19.000 -0.002 0.000 1.627 23 A HN 0.812 nan 8.150 nan 0.000 0.661 24 C N 1.299 120.592 119.300 -0.012 0.000 2.398 24 C HA -0.129 4.332 4.460 0.001 0.000 0.282 24 C C 2.552 177.509 174.990 -0.056 0.000 1.275 24 C CA 1.181 60.194 59.018 -0.007 0.000 1.797 24 C CB -1.544 26.194 27.740 -0.005 0.000 1.991 24 C HN 0.848 nan 8.230 nan 0.000 0.505 25 E N 1.447 121.503 120.200 -0.240 0.000 2.187 25 E HA -0.248 4.103 4.350 0.001 0.000 0.199 25 E C 1.487 177.871 176.600 -0.361 0.000 1.004 25 E CA 1.731 57.912 56.400 -0.365 0.000 0.813 25 E CB -0.781 28.538 29.700 -0.634 0.000 0.736 25 E HN 0.646 nan 8.360 nan 0.000 0.468 26 F N 1.583 121.592 119.950 0.099 0.000 2.456 26 F HA 0.051 4.579 4.527 0.001 0.000 0.298 26 F C 2.097 177.933 175.800 0.060 0.000 1.104 26 F CA 0.869 58.908 58.000 0.065 0.000 1.435 26 F CB -0.376 38.646 39.000 0.038 0.000 1.078 26 F HN 0.037 nan 8.300 nan 0.000 0.546 27 D N -0.873 119.635 120.400 0.180 0.000 2.194 27 D HA -0.214 4.427 4.640 0.001 0.000 0.204 27 D C 2.133 178.510 176.300 0.128 0.000 0.964 27 D CA 0.858 54.943 54.000 0.141 0.000 0.846 27 D CB -0.265 40.608 40.800 0.122 0.000 0.962 27 D HN 0.300 nan 8.370 nan 0.000 0.490 28 Y N 1.147 121.447 120.300 -0.000 0.000 2.133 28 Y HA -0.171 4.380 4.550 0.001 0.000 0.287 28 Y C 2.482 178.382 175.900 0.001 0.000 1.134 28 Y CA 2.512 60.600 58.100 -0.020 0.000 1.133 28 Y CB -0.900 37.530 38.460 -0.050 0.000 0.987 28 Y HN 0.058 nan 8.280 nan 0.000 0.502 29 S N -0.146 115.440 115.700 -0.190 0.000 2.348 29 S HA -0.118 4.353 4.470 0.001 0.000 0.221 29 S C 2.394 176.930 174.600 -0.105 0.000 1.033 29 S CA 1.240 59.306 58.200 -0.224 0.000 1.010 29 S CB -1.678 61.553 63.200 0.051 0.000 0.891 29 S HN 0.603 nan 8.310 nan 0.000 0.442 30 G N 1.723 110.535 108.800 0.021 0.000 2.476 30 G HA2 -0.062 3.899 3.960 0.001 0.000 0.218 30 G HA3 -0.062 3.899 3.960 0.001 0.000 0.218 30 G C 1.739 176.632 174.900 -0.011 0.000 1.164 30 G CA 1.281 46.399 45.100 0.030 0.000 0.768 30 G HN 0.879 nan 8.290 nan 0.000 0.560 31 A N 0.082 122.887 122.820 -0.025 0.000 1.902 31 A HA -0.063 4.258 4.320 0.001 0.000 0.217 31 A C 2.341 179.878 177.584 -0.078 0.000 1.181 31 A CA 1.909 53.927 52.037 -0.032 0.000 0.623 31 A CB -0.451 18.540 19.000 -0.015 0.000 0.818 31 A HN 0.457 nan 8.150 nan 0.000 0.443 32 Q N -0.688 119.011 119.800 -0.169 0.000 2.096 32 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 32 Q C 2.473 178.410 176.000 -0.106 0.000 0.982 32 Q CA 1.473 57.162 55.803 -0.189 0.000 0.850 32 Q CB -0.402 28.131 28.738 -0.342 0.000 0.901 32 Q HN 0.693 nan 8.270 nan 0.000 0.422 33 A N 0.397 123.167 122.820 -0.083 0.000 1.883 33 A HA -0.221 4.100 4.320 0.001 0.000 0.217 33 A C 2.389 179.960 177.584 -0.022 0.000 1.186 33 A CA 1.490 53.501 52.037 -0.043 0.000 0.624 33 A CB -1.052 17.933 19.000 -0.026 0.000 0.822 33 A HN 0.503 nan 8.150 nan 0.000 0.444 34 C N -0.801 118.491 119.300 -0.013 0.000 2.413 34 C HA -0.113 4.348 4.460 0.001 0.000 0.278 34 C C 2.704 177.701 174.990 0.011 0.000 1.224 34 C CA 1.420 60.442 59.018 0.007 0.000 1.732 34 C CB -1.068 26.679 27.740 0.012 0.000 2.050 34 C HN 0.747 nan 8.230 nan 0.000 0.463 35 K N 0.989 121.385 120.400 -0.007 0.000 2.034 35 K HA -0.245 4.076 4.320 0.001 0.000 0.214 35 K C 2.104 178.706 176.600 0.004 0.000 1.051 35 K CA 2.027 58.311 56.287 -0.005 0.000 0.931 35 K CB -0.392 32.092 32.500 -0.028 0.000 0.715 35 K HN 0.439 nan 8.250 nan 0.000 0.446 36 A N 1.211 124.026 122.820 -0.009 0.000 1.865 36 A HA -0.163 4.158 4.320 0.001 0.000 0.217 36 A C 2.187 179.799 177.584 0.045 0.000 1.191 36 A CA 1.673 53.709 52.037 -0.002 0.000 0.623 36 A CB -0.717 18.268 19.000 -0.024 0.000 0.826 36 A HN 0.346 nan 8.150 nan 0.000 0.444 37 L N -1.241 120.014 121.223 0.054 0.000 2.027 37 L HA -0.156 4.185 4.340 0.001 0.000 0.206 37 L C 2.818 179.814 176.870 0.210 0.000 1.074 37 L CA 1.670 56.586 54.840 0.126 0.000 0.745 37 L CB -0.594 41.490 42.059 0.043 0.000 0.898 37 L HN 0.471 nan 8.230 nan 0.000 0.433 38 R N 0.826 121.399 120.500 0.122 0.000 2.127 38 R HA -0.203 4.138 4.340 0.001 0.000 0.238 38 R C 1.875 178.226 176.300 0.086 0.000 1.134 38 R CA 1.606 57.766 56.100 0.101 0.000 0.975 38 R CB -0.079 30.257 30.300 0.061 0.000 0.865 38 R HN 0.447 nan 8.270 nan 0.000 0.447 39 E N -0.308 119.937 120.200 0.076 0.000 2.418 39 E HA -0.092 4.259 4.350 0.001 0.000 0.197 39 E C 0.613 177.258 176.600 0.076 0.000 1.026 39 E CA 0.488 56.920 56.400 0.053 0.000 0.862 39 E CB 0.304 30.020 29.700 0.028 0.000 0.799 39 E HN 0.315 nan 8.360 nan 0.000 0.518 40 E N -0.491 119.800 120.200 0.152 0.000 2.499 40 E HA 0.097 4.448 4.350 0.001 0.000 0.199 40 E C 0.769 177.387 176.600 0.029 0.000 1.016 40 E CA 0.193 56.721 56.400 0.212 0.000 0.933 40 E CB 1.029 31.022 29.700 0.489 0.000 1.050 40 E HN 0.308 nan 8.360 nan 0.000 0.462 41 G N 1.324 110.120 108.800 -0.007 0.000 2.153 41 G HA2 -0.324 3.637 3.960 0.001 0.000 0.252 41 G HA3 -0.324 3.637 3.960 0.001 0.000 0.252 41 G C -0.007 174.756 174.900 -0.228 0.000 0.994 41 G CA 0.443 45.464 45.100 -0.132 0.000 0.698 41 G HN 0.278 nan 8.290 nan 0.000 0.521 42 Y N -0.554 119.770 120.300 0.040 0.000 2.326 42 Y HA 0.551 5.102 4.550 0.001 0.000 0.324 42 Y C 1.203 177.119 175.900 0.027 0.000 1.291 42 Y CA -0.729 57.391 58.100 0.034 0.000 1.348 42 Y CB 0.660 39.143 38.460 0.038 0.000 1.294 42 Y HN 0.117 nan 8.280 nan 0.000 0.525 43 R N 1.592 122.205 120.500 0.188 0.000 2.221 43 R HA 0.468 4.809 4.340 0.001 0.000 0.327 43 R C -1.753 174.621 176.300 0.123 0.000 1.033 43 R CA -0.342 55.827 56.100 0.114 0.000 0.887 43 R CB 0.322 30.671 30.300 0.080 0.000 1.057 43 R HN 0.552 nan 8.270 nan 0.000 0.455 44 V N 6.990 126.961 119.914 0.095 0.000 2.427 44 V HA 0.424 4.545 4.120 0.001 0.000 0.286 44 V C 0.185 176.320 176.094 0.067 0.000 1.034 44 V CA -0.640 61.706 62.300 0.077 0.000 0.893 44 V CB 1.537 33.400 31.823 0.067 0.000 0.982 44 V HN 0.673 nan 8.190 nan 0.000 0.452 45 I N 5.912 126.521 120.570 0.064 0.000 2.465 45 I HA 0.535 4.706 4.170 0.001 0.000 0.291 45 I C -0.323 175.837 176.117 0.071 0.000 1.014 45 I CA -0.333 61.018 61.300 0.085 0.000 1.093 45 I CB 1.845 39.883 38.000 0.064 0.000 1.267 45 I HN 0.834 nan 8.210 nan 0.000 0.431 46 N N 5.662 124.428 118.700 0.110 0.000 2.416 46 N HA 0.639 5.379 4.740 0.001 0.000 0.276 46 N C -1.987 173.597 175.510 0.125 0.000 1.261 46 N CA -0.604 52.495 53.050 0.082 0.000 0.790 46 N CB 3.056 41.576 38.487 0.055 0.000 1.554 46 N HN 0.385 nan 8.380 nan 0.000 0.481 47 V N 0.839 120.796 119.914 0.072 0.000 2.709 47 V HA 0.635 4.756 4.120 0.001 0.000 0.308 47 V C -1.571 174.552 176.094 0.048 0.000 1.062 47 V CA -0.482 61.867 62.300 0.081 0.000 0.901 47 V CB 1.652 33.496 31.823 0.034 0.000 1.003 47 V HN 0.966 nan 8.190 nan 0.000 0.425 48 N N 2.835 121.565 118.700 0.051 0.000 2.648 48 N HA 0.215 4.956 4.740 0.001 0.000 0.272 48 N C 0.339 175.865 175.510 0.027 0.000 1.118 48 N CA 0.296 53.367 53.050 0.034 0.000 0.973 48 N CB 2.301 40.813 38.487 0.041 0.000 1.565 48 N HN 0.703 nan 8.380 nan 0.000 0.542 49 S N 1.481 117.190 115.700 0.014 0.000 2.522 49 S HA -0.017 4.454 4.470 0.001 0.000 0.227 49 S C 0.717 175.318 174.600 0.003 0.000 0.986 49 S CA 0.157 58.359 58.200 0.004 0.000 0.929 49 S CB -0.194 63.000 63.200 -0.010 0.000 0.769 49 S HN 0.564 nan 8.310 nan 0.000 0.529 50 N N 3.272 121.977 118.700 0.007 0.000 2.406 50 N HA 0.265 5.006 4.740 0.001 0.000 0.251 50 N C -1.780 173.733 175.510 0.004 0.000 1.069 50 N CA -2.428 50.623 53.050 0.002 0.000 0.947 50 N CB 1.369 39.860 38.487 0.007 0.000 1.111 50 N HN 0.014 nan 8.380 nan 0.000 0.497 51 P HA -0.031 nan 4.420 nan 0.000 0.221 51 P C 0.313 177.544 177.300 -0.115 0.000 1.150 51 P CA 0.683 63.775 63.100 -0.013 0.000 0.800 51 P CB 0.101 31.833 31.700 0.052 0.000 0.787 52 A N 0.127 122.850 122.820 -0.161 0.000 2.346 52 A HA 0.213 4.534 4.320 0.001 0.000 0.242 52 A C 0.654 178.179 177.584 -0.098 0.000 1.323 52 A CA 0.197 52.035 52.037 -0.332 0.000 0.940 52 A CB -1.442 17.395 19.000 -0.270 0.000 0.943 52 A HN 0.313 nan 8.150 nan 0.000 0.501 53 T N -3.364 111.222 114.554 0.053 0.000 2.888 53 T HA 0.552 4.903 4.350 0.001 0.000 0.284 53 T C 0.972 175.861 174.700 0.315 0.000 1.017 53 T CA -0.741 61.470 62.100 0.185 0.000 1.022 53 T CB 1.142 70.075 68.868 0.109 0.000 1.013 53 T HN -0.020 nan 8.240 nan 0.000 0.465 54 I N 1.978 122.683 120.570 0.225 0.000 2.439 54 I HA -0.115 4.056 4.170 0.001 0.000 0.251 54 I C 2.575 178.756 176.117 0.106 0.000 1.139 54 I CA 1.441 62.805 61.300 0.107 0.000 1.438 54 I CB -0.860 37.138 38.000 -0.004 0.000 1.085 54 I HN 0.876 nan 8.210 nan 0.000 0.427 55 M N 0.865 120.522 119.600 0.096 0.000 2.267 55 M HA -0.186 4.294 4.480 0.001 0.000 0.263 55 M C 1.730 178.072 176.300 0.070 0.000 1.063 55 M CA 2.406 57.749 55.300 0.071 0.000 1.090 55 M CB -0.930 31.707 32.600 0.061 0.000 1.392 55 M HN 0.245 nan 8.290 nan 0.000 0.422 56 T N -2.562 112.046 114.554 0.089 0.000 3.144 56 T HA 0.142 4.493 4.350 0.001 0.000 0.249 56 T C -0.079 174.670 174.700 0.082 0.000 1.089 56 T CA -0.407 61.733 62.100 0.067 0.000 0.989 56 T CB -0.548 68.351 68.868 0.051 0.000 0.992 56 T HN 0.281 nan 8.240 nan 0.000 0.540 57 D N 3.878 124.351 120.400 0.122 0.000 2.371 57 D HA 0.177 4.818 4.640 0.001 0.000 0.256 57 D C -1.300 175.039 176.300 0.065 0.000 1.193 57 D CA -2.132 51.950 54.000 0.137 0.000 0.881 57 D CB 1.715 42.617 40.800 0.170 0.000 1.143 57 D HN 0.114 nan 8.370 nan 0.000 0.473 58 P HA -0.249 nan 4.420 nan 0.000 0.219 58 P C 1.029 178.332 177.300 0.006 0.000 1.153 58 P CA 1.370 64.461 63.100 -0.015 0.000 0.865 58 P CB 0.077 31.761 31.700 -0.027 0.000 0.788 59 E N -1.482 118.735 120.200 0.028 0.000 2.516 59 E HA -0.066 4.285 4.350 0.001 0.000 0.199 59 E C 1.306 177.917 176.600 0.019 0.000 1.069 59 E CA 0.549 56.961 56.400 0.020 0.000 0.876 59 E CB -0.456 29.253 29.700 0.016 0.000 0.843 59 E HN 0.157 nan 8.360 nan 0.000 0.530 60 M N 0.607 120.222 119.600 0.024 0.000 2.492 60 M HA 0.340 4.821 4.480 0.001 0.000 0.255 60 M C 0.763 177.077 176.300 0.023 0.000 1.139 60 M CA 0.210 55.525 55.300 0.024 0.000 1.096 60 M CB 0.565 33.184 32.600 0.031 0.000 1.360 60 M HN 0.205 nan 8.290 nan 0.000 0.480 61 A N -0.587 122.244 122.820 0.019 0.000 2.588 61 A HA 0.516 4.837 4.320 0.001 0.000 0.290 61 A C -0.011 177.581 177.584 0.013 0.000 1.136 61 A CA -0.616 51.434 52.037 0.022 0.000 0.681 61 A CB 0.728 19.747 19.000 0.030 0.000 1.282 61 A HN 0.143 nan 8.150 nan 0.000 0.421 62 D N 0.227 120.643 120.400 0.026 0.000 2.103 62 D HA 0.197 4.838 4.640 0.001 0.000 0.199 62 D C 0.816 177.121 176.300 0.008 0.000 0.978 62 D CA 2.077 56.090 54.000 0.022 0.000 0.829 62 D CB 0.085 40.908 40.800 0.038 0.000 0.981 62 D HN 0.757 nan 8.370 nan 0.000 0.464 63 A N 0.641 123.480 122.820 0.031 0.000 2.411 63 A HA 0.505 4.825 4.320 0.001 0.000 0.285 63 A C -0.662 176.949 177.584 0.045 0.000 1.129 63 A CA -0.518 51.539 52.037 0.034 0.000 0.736 63 A CB 1.373 20.483 19.000 0.183 0.000 1.186 63 A HN -0.117 nan 8.150 nan 0.000 0.445 64 T N 2.505 116.971 114.554 -0.146 0.000 2.770 64 T HA 0.525 4.876 4.350 0.001 0.000 0.283 64 T C -1.196 173.298 174.700 -0.344 0.000 0.988 64 T CA 0.205 62.230 62.100 -0.125 0.000 0.957 64 T CB 0.215 69.011 68.868 -0.119 0.000 0.930 64 T HN 0.409 nan 8.240 nan 0.000 0.443 65 Y N 2.494 122.758 120.300 -0.060 0.000 2.345 65 Y HA 0.478 5.029 4.550 0.001 0.000 0.331 65 Y C 0.317 176.182 175.900 -0.059 0.000 0.959 65 Y CA -0.916 57.143 58.100 -0.069 0.000 1.204 65 Y CB 0.946 39.368 38.460 -0.063 0.000 1.135 65 Y HN 0.545 nan 8.280 nan 0.000 0.477 66 I N 5.295 125.864 120.570 -0.002 0.000 2.317 66 I HA 0.241 4.411 4.170 0.001 0.000 0.286 66 I C -0.505 175.618 176.117 0.010 0.000 1.119 66 I CA 0.006 61.305 61.300 -0.001 0.000 1.228 66 I CB -0.032 37.945 38.000 -0.038 0.000 1.476 66 I HN 0.577 nan 8.210 nan 0.000 0.514 67 E N 5.693 125.917 120.200 0.040 0.000 2.408 67 E HA 0.425 4.775 4.350 0.001 0.000 0.275 67 E C -2.650 173.951 176.600 0.001 0.000 0.935 67 E CA -2.102 54.309 56.400 0.018 0.000 0.775 67 E CB 1.839 31.568 29.700 0.049 0.000 1.277 67 E HN 0.025 nan 8.360 nan 0.000 0.455 68 P HA 0.023 nan 4.420 nan 0.000 0.261 68 P C -0.009 177.298 177.300 0.012 0.000 1.173 68 P CA 0.507 63.595 63.100 -0.019 0.000 0.760 68 P CB 0.085 31.758 31.700 -0.046 0.000 0.783 69 I N 3.429 124.011 120.570 0.020 0.000 2.204 69 I HA 0.102 4.273 4.170 0.001 0.000 0.291 69 I C 1.018 177.166 176.117 0.052 0.000 1.153 69 I CA 0.078 61.392 61.300 0.023 0.000 1.546 69 I CB -0.885 37.116 38.000 0.002 0.000 1.490 69 I HN 0.397 nan 8.210 nan 0.000 0.697 70 H N 5.425 124.466 119.070 -0.048 0.000 2.524 70 H HA 0.079 4.635 4.556 0.001 0.000 0.353 70 H C 0.544 175.832 175.328 -0.067 0.000 1.136 70 H CA -0.832 55.180 56.048 -0.060 0.000 1.193 70 H CB 1.656 31.335 29.762 -0.137 0.000 1.558 70 H HN 0.609 nan 8.280 nan 0.000 0.515 71 W N 4.848 125.983 121.300 -0.275 0.000 2.350 71 W HA -0.118 4.543 4.660 0.001 0.000 0.289 71 W C 0.529 177.093 176.519 0.074 0.000 1.215 71 W CA 0.898 58.187 57.345 -0.094 0.000 1.236 71 W CB -0.376 28.993 29.460 -0.152 0.000 1.130 71 W HN 0.638 nan 8.180 nan 0.000 0.541 72 E N 1.002 120.829 120.200 -0.622 0.000 2.072 72 E HA -0.159 4.192 4.350 0.001 0.000 0.191 72 E C 2.427 178.870 176.600 -0.263 0.000 0.985 72 E CA 1.782 57.780 56.400 -0.670 0.000 0.801 72 E CB -0.276 28.980 29.700 -0.739 0.000 0.750 72 E HN 0.123 nan 8.360 nan 0.000 0.452 73 V N 1.108 120.935 119.914 -0.144 0.000 2.295 73 V HA -0.228 3.893 4.120 0.001 0.000 0.246 73 V C 2.394 178.417 176.094 -0.118 0.000 1.049 73 V CA 1.376 63.605 62.300 -0.120 0.000 1.024 73 V CB -0.426 31.350 31.823 -0.079 0.000 0.648 73 V HN 0.127 nan 8.190 nan 0.000 0.447 74 V N 0.210 120.083 119.914 -0.068 0.000 2.407 74 V HA -0.287 3.834 4.120 0.001 0.000 0.248 74 V C 2.537 178.564 176.094 -0.112 0.000 1.055 74 V CA 2.341 64.589 62.300 -0.088 0.000 1.049 74 V CB -0.942 30.871 31.823 -0.016 0.000 0.662 74 V HN 0.516 nan 8.190 nan 0.000 0.455 75 R N 0.415 120.888 120.500 -0.044 0.000 2.083 75 R HA -0.205 4.136 4.340 0.001 0.000 0.237 75 R C 2.424 178.615 176.300 -0.182 0.000 1.137 75 R CA 1.574 57.653 56.100 -0.035 0.000 0.951 75 R CB -0.167 30.190 30.300 0.096 0.000 0.851 75 R HN 0.311 nan 8.270 nan 0.000 0.434 76 K N 0.659 120.961 120.400 -0.164 0.000 2.103 76 K HA -0.142 4.179 4.320 0.001 0.000 0.207 76 K C 2.051 178.492 176.600 -0.266 0.000 1.048 76 K CA 1.341 57.519 56.287 -0.182 0.000 0.930 76 K CB -0.364 32.051 32.500 -0.143 0.000 0.716 76 K HN 0.395 nan 8.250 nan 0.000 0.444 77 I N 0.364 120.737 120.570 -0.329 0.000 2.315 77 I HA -0.223 3.948 4.170 0.001 0.000 0.248 77 I C 2.286 178.149 176.117 -0.424 0.000 1.117 77 I CA 0.985 61.985 61.300 -0.499 0.000 1.404 77 I CB -0.257 37.365 38.000 -0.629 0.000 1.071 77 I HN 0.032 nan 8.210 nan 0.000 0.419 78 I N 0.760 121.091 120.570 -0.399 0.000 2.202 78 I HA -0.282 3.889 4.170 0.001 0.000 0.242 78 I C 2.709 178.419 176.117 -0.678 0.000 1.091 78 I CA 1.323 62.350 61.300 -0.455 0.000 1.368 78 I CB -0.325 37.437 38.000 -0.397 0.000 1.058 78 I HN 0.270 nan 8.210 nan 0.000 0.410 79 E N 1.749 121.407 120.200 -0.902 0.000 2.110 79 E HA -0.319 4.032 4.350 0.001 0.000 0.193 79 E C 2.132 178.535 176.600 -0.328 0.000 0.988 79 E CA 1.572 57.464 56.400 -0.848 0.000 0.804 79 E CB -0.018 29.388 29.700 -0.489 0.000 0.745 79 E HN 0.448 nan 8.360 nan 0.000 0.458 80 K N -0.319 119.926 120.400 -0.258 0.000 2.314 80 K HA -0.039 4.282 4.320 0.001 0.000 0.198 80 K C 1.553 178.096 176.600 -0.095 0.000 1.045 80 K CA 0.862 57.071 56.287 -0.130 0.000 0.988 80 K CB 0.361 32.810 32.500 -0.085 0.000 0.783 80 K HN -0.017 nan 8.250 nan 0.000 0.484 81 E N 0.554 120.667 120.200 -0.146 0.000 2.413 81 E HA 0.077 4.427 4.350 0.001 0.000 0.203 81 E C -0.391 176.175 176.600 -0.057 0.000 0.957 81 E CA -0.003 56.354 56.400 -0.073 0.000 0.950 81 E CB 0.585 30.238 29.700 -0.079 0.000 0.957 81 E HN 0.151 nan 8.360 nan 0.000 0.497 82 R N 1.060 121.500 120.500 -0.101 0.000 3.059 82 R HA -0.131 4.210 4.340 0.001 0.000 0.251 82 R C -2.454 173.841 176.300 -0.009 0.000 0.886 82 R CA 0.300 56.374 56.100 -0.043 0.000 0.634 82 R CB -2.430 27.881 30.300 0.018 0.000 1.282 82 R HN 0.203 nan 8.270 nan 0.000 0.487 83 P HA 0.155 nan 4.420 nan 0.000 0.279 83 P C 0.425 177.741 177.300 0.026 0.000 1.239 83 P CA -0.323 62.778 63.100 0.002 0.000 0.789 83 P CB 0.732 32.421 31.700 -0.018 0.000 0.933 84 D N 0.738 121.163 120.400 0.041 0.000 2.162 84 D HA 0.043 4.684 4.640 0.001 0.000 0.203 84 D C 0.812 177.133 176.300 0.036 0.000 0.967 84 D CA 1.228 55.257 54.000 0.047 0.000 0.840 84 D CB 0.217 41.053 40.800 0.060 0.000 0.972 84 D HN 0.446 nan 8.370 nan 0.000 0.482 85 A N -0.101 122.733 122.820 0.023 0.000 2.479 85 A HA 0.611 4.932 4.320 0.001 0.000 0.296 85 A C -1.311 176.270 177.584 -0.004 0.000 1.121 85 A CA -0.589 51.452 52.037 0.006 0.000 0.743 85 A CB 2.500 21.494 19.000 -0.011 0.000 1.323 85 A HN -0.055 nan 8.150 nan 0.000 0.415 86 V N 1.428 121.337 119.914 -0.008 0.000 2.525 86 V HA 0.576 4.697 4.120 0.001 0.000 0.299 86 V C -1.582 174.503 176.094 -0.016 0.000 1.034 86 V CA -0.555 61.738 62.300 -0.012 0.000 0.863 86 V CB 1.281 33.100 31.823 -0.006 0.000 0.999 86 V HN 0.947 nan 8.190 nan 0.000 0.423 87 L N 10.526 131.737 121.223 -0.020 0.000 2.272 87 L HA 0.714 5.054 4.340 0.001 0.000 0.284 87 L C -2.064 174.797 176.870 -0.015 0.000 1.045 87 L CA -1.111 53.717 54.840 -0.020 0.000 0.842 87 L CB 1.693 43.735 42.059 -0.028 0.000 1.224 87 L HN 0.503 nan 8.230 nan 0.000 0.430 88 P HA 0.166 nan 4.420 nan 0.000 0.278 88 P C 0.253 177.539 177.300 -0.023 0.000 1.502 88 P CA 0.048 63.137 63.100 -0.018 0.000 1.114 88 P CB 0.361 32.055 31.700 -0.010 0.000 1.541 89 T N -4.785 109.762 114.554 -0.012 0.000 3.092 89 T HA 0.272 4.622 4.350 0.001 0.000 0.258 89 T C 1.069 175.778 174.700 0.015 0.000 1.031 89 T CA -0.085 62.013 62.100 -0.004 0.000 0.925 89 T CB -0.278 68.599 68.868 0.015 0.000 1.036 89 T HN -0.159 nan 8.240 nan 0.000 0.544 90 M N 1.421 121.026 119.600 0.009 0.000 2.484 90 M HA 0.419 4.900 4.480 0.001 0.000 0.307 90 M C 1.120 177.442 176.300 0.037 0.000 1.149 90 M CA -0.021 55.319 55.300 0.066 0.000 0.972 90 M CB 0.649 33.277 32.600 0.046 0.000 1.400 90 M HN 0.441 nan 8.290 nan 0.000 0.508 91 G N -0.184 108.528 108.800 -0.148 0.000 4.543 91 G HA2 0.490 4.451 3.960 0.001 0.000 0.286 91 G HA3 0.490 4.451 3.960 0.001 0.000 0.286 91 G C 0.642 175.134 174.900 -0.680 0.000 1.112 91 G CA 0.111 45.026 45.100 -0.308 0.000 0.870 91 G HN 0.592 nan 8.290 nan 0.000 0.540 92 G N 0.572 108.661 108.800 -1.186 0.000 2.645 92 G HA2 -0.283 3.678 3.960 0.001 0.000 0.239 92 G HA3 -0.283 3.678 3.960 0.001 0.000 0.239 92 G C 0.747 175.398 174.900 -0.416 0.000 1.331 92 G CA 0.527 44.975 45.100 -1.087 0.000 0.890 92 G HN 0.611 nan 8.290 nan 0.000 0.572 93 Q N -1.038 118.608 119.800 -0.257 0.000 2.297 93 Q HA 0.091 4.432 4.340 0.001 0.000 0.204 93 Q C 2.725 178.672 176.000 -0.088 0.000 0.962 93 Q CA 2.543 58.281 55.803 -0.108 0.000 0.879 93 Q CB -0.423 28.284 28.738 -0.052 0.000 0.947 93 Q HN 0.704 nan 8.270 nan 0.000 0.462 94 T N -0.025 114.449 114.554 -0.134 0.000 2.652 94 T HA -0.201 4.150 4.350 0.001 0.000 0.267 94 T C 1.689 176.340 174.700 -0.081 0.000 1.039 94 T CA 1.548 63.592 62.100 -0.093 0.000 1.153 94 T CB -0.602 68.206 68.868 -0.100 0.000 0.863 94 T HN 0.491 nan 8.240 nan 0.000 0.428 95 A N 1.160 123.910 122.820 -0.116 0.000 1.883 95 A HA -0.022 4.299 4.320 0.001 0.000 0.217 95 A C 2.353 179.908 177.584 -0.050 0.000 1.186 95 A CA 1.296 53.282 52.037 -0.084 0.000 0.624 95 A CB -0.919 18.017 19.000 -0.108 0.000 0.822 95 A HN 0.466 nan 8.150 nan 0.000 0.444 96 L N -0.582 120.615 121.223 -0.043 0.000 1.970 96 L HA -0.255 4.086 4.340 0.001 0.000 0.212 96 L C 2.484 179.378 176.870 0.040 0.000 1.071 96 L CA 1.748 56.600 54.840 0.021 0.000 0.751 96 L CB -0.906 41.188 42.059 0.058 0.000 0.889 96 L HN 0.368 nan 8.230 nan 0.000 0.432 97 N N -0.404 118.315 118.700 0.033 0.000 2.061 97 N HA -0.241 4.500 4.740 0.001 0.000 0.193 97 N C 1.881 177.353 175.510 -0.064 0.000 1.030 97 N CA 1.716 54.755 53.050 -0.019 0.000 0.856 97 N CB -0.963 37.512 38.487 -0.020 0.000 1.023 97 N HN 0.374 nan 8.380 nan 0.000 0.424 98 C N 0.630 119.904 119.300 -0.043 0.000 2.429 98 C HA 0.049 4.510 4.460 0.001 0.000 0.277 98 C C 2.737 177.708 174.990 -0.032 0.000 1.262 98 C CA 1.058 60.056 59.018 -0.032 0.000 1.733 98 C CB -1.345 26.386 27.740 -0.015 0.000 2.010 98 C HN 0.493 nan 8.230 nan 0.000 0.483 99 A N -0.019 122.785 122.820 -0.026 0.000 1.908 99 A HA -0.129 4.192 4.320 0.001 0.000 0.218 99 A C 1.967 179.526 177.584 -0.042 0.000 1.181 99 A CA 1.895 53.920 52.037 -0.020 0.000 0.627 99 A CB -0.678 18.318 19.000 -0.007 0.000 0.818 99 A HN 0.548 nan 8.150 nan 0.000 0.445 100 L N -0.683 120.505 121.223 -0.058 0.000 2.093 100 L HA -0.095 4.246 4.340 0.001 0.000 0.208 100 L C 2.406 179.173 176.870 -0.171 0.000 1.085 100 L CA 2.045 56.825 54.840 -0.101 0.000 0.755 100 L CB -0.592 41.396 42.059 -0.118 0.000 0.904 100 L HN 0.489 nan 8.230 nan 0.000 0.435 101 E N -0.070 120.010 120.200 -0.200 0.000 2.051 101 E HA -0.190 4.161 4.350 0.001 0.000 0.192 101 E C 2.226 178.619 176.600 -0.345 0.000 0.991 101 E CA 1.321 57.533 56.400 -0.312 0.000 0.799 101 E CB -0.323 29.191 29.700 -0.309 0.000 0.748 101 E HN 0.372 nan 8.360 nan 0.000 0.449 102 L N 0.408 121.531 121.223 -0.166 0.000 2.043 102 L HA -0.246 4.095 4.340 0.001 0.000 0.212 102 L C 2.605 179.415 176.870 -0.100 0.000 1.075 102 L CA 2.031 56.830 54.840 -0.069 0.000 0.752 102 L CB -0.579 41.495 42.059 0.026 0.000 0.891 102 L HN 0.300 nan 8.230 nan 0.000 0.432 103 E N 0.436 120.576 120.200 -0.100 0.000 2.107 103 E HA -0.260 4.091 4.350 0.001 0.000 0.191 103 E C 2.266 178.791 176.600 -0.125 0.000 0.982 103 E CA 1.121 57.471 56.400 -0.083 0.000 0.809 103 E CB -0.185 29.479 29.700 -0.061 0.000 0.756 103 E HN 0.282 nan 8.360 nan 0.000 0.459 104 R N -0.228 120.158 120.500 -0.190 0.000 2.115 104 R HA -0.037 4.304 4.340 0.001 0.000 0.226 104 R C 1.699 177.840 176.300 -0.266 0.000 1.100 104 R CA 1.187 57.156 56.100 -0.218 0.000 0.980 104 R CB 0.079 30.223 30.300 -0.260 0.000 0.875 104 R HN 0.218 nan 8.270 nan 0.000 0.445 105 Q N -0.347 119.227 119.800 -0.377 0.000 2.444 105 Q HA 0.072 4.413 4.340 0.001 0.000 0.206 105 Q C 0.803 176.692 176.000 -0.185 0.000 0.948 105 Q CA 0.833 56.376 55.803 -0.432 0.000 0.946 105 Q CB 0.934 29.093 28.738 -0.965 0.000 1.027 105 Q HN 0.661 nan 8.270 nan 0.000 0.513 106 G N 0.594 109.319 108.800 -0.126 0.000 2.166 106 G HA2 -0.315 3.646 3.960 0.001 0.000 0.260 106 G HA3 -0.315 3.646 3.960 0.001 0.000 0.260 106 G C 0.994 175.894 174.900 0.001 0.000 0.986 106 G CA 0.570 45.635 45.100 -0.059 0.000 0.683 106 G HN 0.328 nan 8.290 nan 0.000 0.527 107 V N 0.397 120.342 119.914 0.051 0.000 2.407 107 V HA -0.157 3.964 4.120 0.001 0.000 0.248 107 V C 2.902 179.133 176.094 0.229 0.000 1.055 107 V CA 2.220 64.641 62.300 0.201 0.000 1.049 107 V CB -0.451 31.538 31.823 0.276 0.000 0.662 107 V HN 0.529 nan 8.190 nan 0.000 0.455 108 L N -0.321 120.972 121.223 0.118 0.000 2.056 108 L HA -0.170 4.171 4.340 0.001 0.000 0.207 108 L C 2.550 179.470 176.870 0.083 0.000 1.078 108 L CA 1.781 56.686 54.840 0.108 0.000 0.749 108 L CB -0.563 41.526 42.059 0.049 0.000 0.901 108 L HN 0.374 nan 8.230 nan 0.000 0.433 109 E N 0.706 120.923 120.200 0.027 0.000 2.017 109 E HA -0.303 4.048 4.350 0.001 0.000 0.193 109 E C 2.093 178.660 176.600 -0.055 0.000 0.997 109 E CA 1.519 57.912 56.400 -0.012 0.000 0.804 109 E CB -0.025 29.654 29.700 -0.036 0.000 0.757 109 E HN 0.380 nan 8.360 nan 0.000 0.448 110 E N -0.900 119.226 120.200 -0.123 0.000 2.187 110 E HA -0.227 4.124 4.350 0.001 0.000 0.199 110 E C 0.898 177.170 176.600 -0.545 0.000 1.004 110 E CA 1.375 57.552 56.400 -0.372 0.000 0.813 110 E CB -0.089 29.324 29.700 -0.477 0.000 0.736 110 E HN 0.351 nan 8.360 nan 0.000 0.468 111 F N -1.274 118.681 119.950 0.007 0.000 2.688 111 F HA 0.344 4.871 4.527 0.001 0.000 0.310 111 F C 1.159 176.961 175.800 0.004 0.000 1.098 111 F CA 0.164 58.168 58.000 0.006 0.000 1.228 111 F CB 1.496 40.499 39.000 0.006 0.000 1.042 111 F HN 0.107 nan 8.300 nan 0.000 0.557 112 G N 1.472 110.346 108.800 0.124 0.000 2.221 112 G HA2 -0.254 3.707 3.960 0.001 0.000 0.265 112 G HA3 -0.254 3.707 3.960 0.001 0.000 0.265 112 G C -0.186 174.764 174.900 0.083 0.000 1.041 112 G CA 0.132 45.280 45.100 0.080 0.000 0.807 112 G HN 0.160 nan 8.290 nan 0.000 0.502 113 V N 0.837 120.809 119.914 0.096 0.000 2.408 113 V HA 0.469 4.590 4.120 0.001 0.000 0.267 113 V C 0.979 177.098 176.094 0.041 0.000 1.047 113 V CA -0.060 62.280 62.300 0.067 0.000 0.937 113 V CB 1.153 33.014 31.823 0.063 0.000 0.999 113 V HN 0.324 nan 8.190 nan 0.000 0.472 114 T N 6.797 121.369 114.554 0.030 0.000 2.817 114 T HA 0.355 4.706 4.350 0.001 0.000 0.293 114 T C -0.016 174.690 174.700 0.010 0.000 0.964 114 T CA -0.167 61.944 62.100 0.019 0.000 1.085 114 T CB 0.817 69.695 68.868 0.017 0.000 0.921 114 T HN 0.682 nan 8.240 nan 0.000 0.502 115 M N 5.860 125.465 119.600 0.007 0.000 2.105 115 M HA 0.440 4.921 4.480 0.001 0.000 0.350 115 M C -0.516 175.783 176.300 -0.001 0.000 1.308 115 M CA -0.512 54.790 55.300 0.003 0.000 1.108 115 M CB -0.086 32.517 32.600 0.005 0.000 1.622 115 M HN 0.618 nan 8.290 nan 0.000 0.468 116 I N 1.050 121.614 120.570 -0.009 0.000 3.205 116 I HA 0.892 5.063 4.170 0.001 0.000 0.310 116 I C 0.970 177.082 176.117 -0.008 0.000 1.089 116 I CA -0.264 61.029 61.300 -0.012 0.000 1.023 116 I CB 1.248 39.230 38.000 -0.030 0.000 1.269 116 I HN 0.832 nan 8.210 nan 0.000 0.512 117 G N 1.709 110.507 108.800 -0.003 0.000 2.990 117 G HA2 -0.154 3.807 3.960 0.001 0.000 0.225 117 G HA3 -0.154 3.807 3.960 0.001 0.000 0.225 117 G C 0.196 175.104 174.900 0.014 0.000 1.304 117 G CA 0.390 45.494 45.100 0.007 0.000 0.816 117 G HN 1.708 nan 8.290 nan 0.000 0.528 118 A N -0.233 122.594 122.820 0.012 0.000 2.488 118 A HA 0.856 5.177 4.320 0.001 0.000 0.298 118 A C 0.087 177.679 177.584 0.015 0.000 1.044 118 A CA 0.998 53.045 52.037 0.015 0.000 0.693 118 A CB 1.059 20.070 19.000 0.017 0.000 1.272 118 A HN 1.948 nan 8.150 nan 0.000 0.402 119 T N -0.327 114.237 114.554 0.017 0.000 2.828 119 T HA 0.519 4.870 4.350 0.001 0.000 0.290 119 T C 1.427 176.142 174.700 0.024 0.000 1.019 119 T CA 0.313 62.423 62.100 0.017 0.000 1.031 119 T CB 1.194 70.072 68.868 0.016 0.000 1.001 119 T HN 1.684 nan 8.240 nan 0.000 0.531 120 A N 0.879 123.712 122.820 0.022 0.000 1.902 120 A HA -0.044 4.277 4.320 0.001 0.000 0.217 120 A C 2.027 179.639 177.584 0.046 0.000 1.181 120 A CA 2.055 54.111 52.037 0.032 0.000 0.623 120 A CB -1.320 17.690 19.000 0.016 0.000 0.818 120 A HN 1.042 nan 8.150 nan 0.000 0.443 121 D N -0.352 120.068 120.400 0.034 0.000 2.117 121 D HA -0.029 4.612 4.640 0.001 0.000 0.197 121 D C 2.031 178.357 176.300 0.043 0.000 0.987 121 D CA 1.615 55.638 54.000 0.039 0.000 0.829 121 D CB -0.192 40.623 40.800 0.025 0.000 0.961 121 D HN 0.334 nan 8.370 nan 0.000 0.460 122 A N 0.248 123.088 122.820 0.034 0.000 1.908 122 A HA -0.143 4.178 4.320 0.001 0.000 0.218 122 A C 2.427 180.031 177.584 0.033 0.000 1.181 122 A CA 1.339 53.396 52.037 0.033 0.000 0.627 122 A CB -0.892 18.124 19.000 0.027 0.000 0.818 122 A HN 0.401 nan 8.150 nan 0.000 0.445 123 I N -0.501 120.092 120.570 0.038 0.000 2.163 123 I HA -0.285 3.886 4.170 0.001 0.000 0.243 123 I C 2.316 178.447 176.117 0.024 0.000 1.085 123 I CA 2.061 63.380 61.300 0.032 0.000 1.347 123 I CB -0.449 37.593 38.000 0.071 0.000 1.044 123 I HN 0.400 nan 8.210 nan 0.000 0.408 124 D N 0.844 121.311 120.400 0.111 0.000 2.117 124 D HA -0.241 4.399 4.640 0.001 0.000 0.197 124 D C 2.208 178.533 176.300 0.040 0.000 0.987 124 D CA 1.313 55.413 54.000 0.167 0.000 0.829 124 D CB 0.004 40.927 40.800 0.205 0.000 0.961 124 D HN 0.061 nan 8.370 nan 0.000 0.460 125 K N -0.577 119.854 120.400 0.051 0.000 2.152 125 K HA -0.153 4.168 4.320 0.001 0.000 0.206 125 K C 1.781 178.434 176.600 0.089 0.000 1.048 125 K CA 1.306 57.629 56.287 0.059 0.000 0.933 125 K CB -0.085 32.446 32.500 0.051 0.000 0.721 125 K HN 0.186 nan 8.250 nan 0.000 0.447 126 A N 0.361 123.201 122.820 0.033 0.000 1.984 126 A HA -0.006 4.315 4.320 0.001 0.000 0.214 126 A C 1.664 179.107 177.584 -0.234 0.000 1.173 126 A CA 0.634 52.676 52.037 0.008 0.000 0.673 126 A CB -0.013 18.955 19.000 -0.053 0.000 0.830 126 A HN 0.198 nan 8.150 nan 0.000 0.453 127 E N 0.605 120.565 120.200 -0.400 0.000 2.230 127 E HA -0.054 4.297 4.350 0.001 0.000 0.192 127 E C -0.069 176.077 176.600 -0.756 0.000 0.987 127 E CA 0.232 56.139 56.400 -0.822 0.000 0.841 127 E CB -0.174 28.586 29.700 -1.566 0.000 0.783 127 E HN 0.553 nan 8.360 nan 0.000 0.481 128 D N 1.444 121.615 120.400 -0.381 0.000 2.338 128 D HA -0.002 4.639 4.640 0.001 0.000 0.255 128 D C 0.996 177.290 176.300 -0.010 0.000 1.237 128 D CA -0.090 53.873 54.000 -0.061 0.000 0.883 128 D CB 0.582 41.448 40.800 0.110 0.000 1.087 128 D HN -0.143 nan 8.370 nan 0.000 0.485 129 R N 3.450 123.940 120.500 -0.018 0.000 2.117 129 R HA -0.184 4.156 4.340 0.001 0.000 0.243 129 R C 2.066 178.423 176.300 0.095 0.000 1.143 129 R CA 0.956 57.071 56.100 0.024 0.000 0.968 129 R CB -0.276 30.015 30.300 -0.015 0.000 0.863 129 R HN 0.537 nan 8.270 nan 0.000 0.444 130 R N 1.157 121.701 120.500 0.073 0.000 2.066 130 R HA -0.069 4.272 4.340 0.001 0.000 0.232 130 R C 2.291 178.629 176.300 0.063 0.000 1.131 130 R CA 1.253 57.390 56.100 0.062 0.000 0.955 130 R CB -0.029 30.308 30.300 0.063 0.000 0.851 130 R HN 0.132 nan 8.270 nan 0.000 0.432 131 R N -0.517 120.028 120.500 0.075 0.000 2.081 131 R HA -0.157 4.184 4.340 0.001 0.000 0.235 131 R C 2.229 178.556 176.300 0.044 0.000 1.131 131 R CA 1.643 57.776 56.100 0.055 0.000 0.960 131 R CB -0.557 29.780 30.300 0.063 0.000 0.856 131 R HN 0.237 nan 8.270 nan 0.000 0.436 132 F N 2.450 122.374 119.950 -0.044 0.000 2.102 132 F HA -0.240 4.288 4.527 0.001 0.000 0.298 132 F C 2.218 177.992 175.800 -0.044 0.000 1.105 132 F CA 1.779 59.745 58.000 -0.056 0.000 1.239 132 F CB -0.293 38.657 39.000 -0.084 0.000 0.991 132 F HN 0.006 nan 8.300 nan 0.000 0.474 133 D N -0.176 120.240 120.400 0.027 0.000 2.178 133 D HA -0.147 4.494 4.640 0.001 0.000 0.201 133 D C 2.199 178.426 176.300 -0.121 0.000 0.980 133 D CA 1.346 55.316 54.000 -0.051 0.000 0.842 133 D CB 0.023 40.852 40.800 0.047 0.000 0.948 133 D HN 0.287 nan 8.370 nan 0.000 0.472 134 V N 1.240 121.101 119.914 -0.090 0.000 2.453 134 V HA -0.163 3.958 4.120 0.001 0.000 0.247 134 V C 2.741 178.758 176.094 -0.128 0.000 1.048 134 V CA 1.492 63.743 62.300 -0.081 0.000 1.049 134 V CB -0.558 31.241 31.823 -0.041 0.000 0.672 134 V HN 0.259 nan 8.190 nan 0.000 0.457 135 A N -0.014 122.688 122.820 -0.198 0.000 1.877 135 A HA -0.222 4.098 4.320 0.001 0.000 0.216 135 A C 2.232 179.667 177.584 -0.248 0.000 1.186 135 A CA 2.054 53.958 52.037 -0.223 0.000 0.620 135 A CB -0.452 18.367 19.000 -0.301 0.000 0.822 135 A HN 0.411 nan 8.150 nan 0.000 0.443 136 M N -0.263 119.118 119.600 -0.365 0.000 2.080 136 M HA -0.145 4.336 4.480 0.001 0.000 0.260 136 M C 2.084 178.302 176.300 -0.135 0.000 1.068 136 M CA 1.743 56.883 55.300 -0.266 0.000 1.109 136 M CB -1.285 31.137 32.600 -0.297 0.000 1.342 136 M HN 0.410 nan 8.290 nan 0.000 0.405 137 K N 0.749 121.080 120.400 -0.115 0.000 2.057 137 K HA -0.182 4.139 4.320 0.001 0.000 0.207 137 K C 2.107 178.671 176.600 -0.061 0.000 1.049 137 K CA 1.338 57.584 56.287 -0.067 0.000 0.931 137 K CB -0.169 32.299 32.500 -0.054 0.000 0.714 137 K HN 0.269 nan 8.250 nan 0.000 0.440 138 K N 1.324 121.680 120.400 -0.074 0.000 2.103 138 K HA -0.139 4.182 4.320 0.001 0.000 0.207 138 K C 1.956 178.525 176.600 -0.052 0.000 1.048 138 K CA 1.641 57.893 56.287 -0.057 0.000 0.930 138 K CB -0.187 32.277 32.500 -0.060 0.000 0.716 138 K HN 0.349 nan 8.250 nan 0.000 0.444 139 I N -3.385 117.145 120.570 -0.067 0.000 3.684 139 I HA 0.258 4.428 4.170 0.001 0.000 0.304 139 I C 0.793 176.889 176.117 -0.035 0.000 1.278 139 I CA 0.501 61.770 61.300 -0.051 0.000 1.272 139 I CB 0.001 37.968 38.000 -0.054 0.000 1.029 139 I HN 0.243 nan 8.210 nan 0.000 0.458 140 G N 2.198 110.977 108.800 -0.034 0.000 2.160 140 G HA2 -0.240 3.721 3.960 0.001 0.000 0.251 140 G HA3 -0.240 3.721 3.960 0.001 0.000 0.251 140 G C -0.028 174.867 174.900 -0.008 0.000 1.008 140 G CA 0.330 45.418 45.100 -0.019 0.000 0.724 140 G HN 0.450 nan 8.290 nan 0.000 0.514 141 L N -0.051 121.165 121.223 -0.011 0.000 2.343 141 L HA 0.583 4.924 4.340 0.001 0.000 0.275 141 L C 0.754 177.640 176.870 0.026 0.000 1.056 141 L CA -0.863 53.990 54.840 0.022 0.000 0.804 141 L CB 1.528 43.610 42.059 0.038 0.000 1.203 141 L HN 0.384 nan 8.230 nan 0.000 0.440 142 E N 1.509 121.747 120.200 0.062 0.000 2.277 142 E HA 0.439 4.790 4.350 0.001 0.000 0.274 142 E C -1.138 175.507 176.600 0.074 0.000 1.022 142 E CA -0.469 55.969 56.400 0.063 0.000 0.853 142 E CB 1.566 31.309 29.700 0.072 0.000 1.086 142 E HN 0.668 nan 8.360 nan 0.000 0.397 143 T N -0.056 114.524 114.554 0.044 0.000 2.901 143 T HA 0.686 5.037 4.350 0.001 0.000 0.293 143 T C -0.176 174.525 174.700 0.002 0.000 1.084 143 T CA -0.780 61.341 62.100 0.036 0.000 1.008 143 T CB 1.417 70.304 68.868 0.031 0.000 1.170 143 T HN 0.588 nan 8.240 nan 0.000 0.509 144 A N 1.469 124.272 122.820 -0.030 0.000 2.483 144 A HA 0.479 4.800 4.320 0.001 0.000 0.238 144 A C 0.703 178.258 177.584 -0.048 0.000 1.070 144 A CA -0.473 51.520 52.037 -0.073 0.000 0.770 144 A CB -0.149 18.783 19.000 -0.114 0.000 1.008 144 A HN 0.980 nan 8.150 nan 0.000 0.497 145 R N 1.118 121.586 120.500 -0.054 0.000 2.502 145 R HA 0.289 4.630 4.340 0.001 0.000 0.292 145 R C 0.046 176.317 176.300 -0.048 0.000 0.998 145 R CA 1.083 57.157 56.100 -0.043 0.000 1.056 145 R CB 0.047 30.318 30.300 -0.049 0.000 0.939 145 R HN 1.046 nan 8.270 nan 0.000 0.411 146 S N 2.013 117.691 115.700 -0.037 0.000 2.672 146 S HA 0.751 5.222 4.470 0.001 0.000 0.271 146 S C -0.748 173.834 174.600 -0.029 0.000 1.171 146 S CA -0.558 57.621 58.200 -0.034 0.000 0.817 146 S CB 1.634 64.819 63.200 -0.025 0.000 1.150 146 S HN 0.734 nan 8.310 nan 0.000 0.478 147 G N -0.090 108.694 108.800 -0.026 0.000 2.667 147 G HA2 0.635 4.596 3.960 0.001 0.000 0.298 147 G HA3 0.635 4.596 3.960 0.001 0.000 0.298 147 G C -1.425 173.452 174.900 -0.038 0.000 1.377 147 G CA -0.686 44.397 45.100 -0.029 0.000 0.964 147 G HN 0.620 nan 8.290 nan 0.000 0.493 148 I N 0.848 121.380 120.570 -0.064 0.000 2.488 148 I HA 0.667 4.837 4.170 0.001 0.000 0.299 148 I C 0.397 176.400 176.117 -0.190 0.000 0.984 148 I CA -0.605 60.619 61.300 -0.127 0.000 1.250 148 I CB 1.590 39.507 38.000 -0.138 0.000 1.389 148 I HN 0.627 nan 8.210 nan 0.000 0.488 149 A N 4.759 127.425 122.820 -0.257 0.000 2.422 149 A HA 0.591 4.912 4.320 0.001 0.000 0.302 149 A C -0.570 176.819 177.584 -0.325 0.000 1.041 149 A CA -0.411 51.492 52.037 -0.222 0.000 0.708 149 A CB 0.828 19.796 19.000 -0.054 0.000 1.257 149 A HN 0.867 nan 8.150 nan 0.000 0.414 150 H N 0.306 119.393 119.070 0.028 0.000 2.874 150 H HA 0.253 4.810 4.556 0.001 0.000 0.264 150 H C 0.655 175.995 175.328 0.020 0.000 1.007 150 H CA 0.955 57.016 56.048 0.021 0.000 1.207 150 H CB 1.090 30.864 29.762 0.020 0.000 1.487 150 H HN 0.784 nan 8.280 nan 0.000 0.505 151 T N -3.509 111.108 114.554 0.105 0.000 2.864 151 T HA 0.173 4.524 4.350 0.001 0.000 0.299 151 T C 0.820 175.556 174.700 0.061 0.000 1.166 151 T CA -0.913 61.234 62.100 0.079 0.000 1.007 151 T CB 1.824 70.740 68.868 0.079 0.000 1.219 151 T HN -0.023 nan 8.240 nan 0.000 0.506 152 M N 0.862 120.498 119.600 0.060 0.000 2.159 152 M HA 0.028 4.509 4.480 0.001 0.000 0.263 152 M C 2.124 178.491 176.300 0.112 0.000 1.063 152 M CA 2.156 57.502 55.300 0.077 0.000 1.110 152 M CB -0.686 31.956 32.600 0.069 0.000 1.374 152 M HN 0.894 nan 8.290 nan 0.000 0.411 153 E N -0.378 119.873 120.200 0.085 0.000 2.072 153 E HA -0.230 4.121 4.350 0.001 0.000 0.191 153 E C 1.806 178.450 176.600 0.074 0.000 0.985 153 E CA 1.567 58.013 56.400 0.077 0.000 0.801 153 E CB -0.148 29.585 29.700 0.056 0.000 0.750 153 E HN 0.683 nan 8.360 nan 0.000 0.452 154 E N 0.289 120.529 120.200 0.067 0.000 2.031 154 E HA -0.218 4.133 4.350 0.001 0.000 0.193 154 E C 2.100 178.746 176.600 0.078 0.000 0.994 154 E CA 1.016 57.447 56.400 0.052 0.000 0.800 154 E CB -0.208 29.512 29.700 0.034 0.000 0.752 154 E HN 0.384 nan 8.360 nan 0.000 0.447 155 A N 1.168 124.061 122.820 0.121 0.000 1.903 155 A HA -0.239 4.082 4.320 0.001 0.000 0.219 155 A C 2.216 180.007 177.584 0.346 0.000 1.191 155 A CA 1.591 53.780 52.037 0.253 0.000 0.638 155 A CB -0.888 18.237 19.000 0.207 0.000 0.823 155 A HN 0.163 nan 8.150 nan 0.000 0.451 156 L N -0.838 120.548 121.223 0.272 0.000 2.083 156 L HA -0.168 4.173 4.340 0.001 0.000 0.209 156 L C 3.014 179.857 176.870 -0.044 0.000 1.083 156 L CA 1.136 56.036 54.840 0.100 0.000 0.752 156 L CB -0.564 41.557 42.059 0.104 0.000 0.899 156 L HN 0.408 nan 8.230 nan 0.000 0.433 157 A N -0.400 122.422 122.820 0.002 0.000 1.972 157 A HA -0.114 4.206 4.320 0.001 0.000 0.219 157 A C 2.359 179.902 177.584 -0.068 0.000 1.169 157 A CA 1.635 53.651 52.037 -0.036 0.000 0.635 157 A CB -0.729 18.264 19.000 -0.011 0.000 0.810 157 A HN 0.199 nan 8.150 nan 0.000 0.446 158 V N -0.267 119.623 119.914 -0.040 0.000 2.427 158 V HA -0.204 3.917 4.120 0.001 0.000 0.248 158 V C 3.028 179.026 176.094 -0.160 0.000 1.051 158 V CA 1.728 63.992 62.300 -0.060 0.000 1.048 158 V CB -1.154 30.670 31.823 0.002 0.000 0.666 158 V HN 0.602 nan 8.190 nan 0.000 0.456 159 A N 0.234 122.892 122.820 -0.271 0.000 1.902 159 A HA -0.149 4.172 4.320 0.001 0.000 0.217 159 A C 2.451 179.694 177.584 -0.568 0.000 1.181 159 A CA 2.118 53.793 52.037 -0.603 0.000 0.623 159 A CB -0.822 17.454 19.000 -1.207 0.000 0.818 159 A HN 0.568 nan 8.150 nan 0.000 0.443 160 A N -0.125 122.469 122.820 -0.377 0.000 1.908 160 A HA -0.234 4.086 4.320 0.001 0.000 0.218 160 A C 1.836 179.280 177.584 -0.234 0.000 1.181 160 A CA 2.325 54.195 52.037 -0.279 0.000 0.627 160 A CB -0.731 18.171 19.000 -0.164 0.000 0.818 160 A HN 0.599 nan 8.150 nan 0.000 0.445 161 D N -0.470 119.812 120.400 -0.198 0.000 2.077 161 D HA -0.133 4.507 4.640 0.001 0.000 0.196 161 D C 1.944 178.146 176.300 -0.164 0.000 0.986 161 D CA 2.400 56.311 54.000 -0.148 0.000 0.829 161 D CB -0.116 40.621 40.800 -0.106 0.000 0.983 161 D HN 0.365 nan 8.370 nan 0.000 0.453 162 V N -2.714 117.081 119.914 -0.198 0.000 2.871 162 V HA 0.347 4.468 4.120 0.001 0.000 0.256 162 V C 1.268 177.224 176.094 -0.230 0.000 1.082 162 V CA 0.668 62.860 62.300 -0.181 0.000 1.105 162 V CB -1.086 30.648 31.823 -0.148 0.000 0.713 162 V HN 0.416 nan 8.190 nan 0.000 0.473 163 G N -0.203 108.372 108.800 -0.375 0.000 2.795 163 G HA2 -0.168 3.793 3.960 0.001 0.000 0.664 163 G HA3 -0.168 3.793 3.960 0.001 0.000 0.664 163 G C -0.766 173.825 174.900 -0.515 0.000 1.381 163 G CA -0.196 44.640 45.100 -0.440 0.000 0.853 163 G HN 0.527 nan 8.290 nan 0.000 0.545 164 F N 1.354 121.255 119.950 -0.082 0.000 2.425 164 F HA 0.617 5.145 4.527 0.001 0.000 0.331 164 F C -0.967 174.815 175.800 -0.030 0.000 1.085 164 F CA -1.508 56.451 58.000 -0.068 0.000 1.028 164 F CB 1.932 40.913 39.000 -0.031 0.000 1.177 164 F HN 0.470 nan 8.300 nan 0.000 0.487 165 P HA 0.354 nan 4.420 nan 0.000 0.279 165 P C -1.207 176.117 177.300 0.041 0.000 1.252 165 P CA -0.505 62.664 63.100 0.114 0.000 0.811 165 P CB 1.039 32.550 31.700 -0.315 0.000 1.035 166 C N -0.343 119.006 119.300 0.083 0.000 2.971 166 C HA 0.778 5.239 4.460 0.001 0.000 0.310 166 C C -0.525 174.475 174.990 0.018 0.000 1.285 166 C CA -0.914 58.116 59.018 0.021 0.000 1.593 166 C CB 0.282 28.025 27.740 0.005 0.000 2.076 166 C HN 0.376 nan 8.230 nan 0.000 0.472 167 I N 1.588 122.156 120.570 -0.004 0.000 2.377 167 I HA 0.566 4.737 4.170 0.001 0.000 0.293 167 I C -0.090 176.036 176.117 0.016 0.000 0.987 167 I CA -0.898 60.395 61.300 -0.013 0.000 1.185 167 I CB 1.324 39.297 38.000 -0.044 0.000 1.341 167 I HN 0.585 nan 8.210 nan 0.000 0.455 168 I N 6.559 127.133 120.570 0.006 0.000 2.378 168 I HA 0.519 4.690 4.170 0.001 0.000 0.291 168 I C -0.235 175.867 176.117 -0.026 0.000 0.992 168 I CA -0.563 60.731 61.300 -0.010 0.000 1.154 168 I CB 0.886 38.856 38.000 -0.050 0.000 1.315 168 I HN 0.372 nan 8.210 nan 0.000 0.448 169 R N 6.595 127.077 120.500 -0.029 0.000 2.483 169 R HA 0.457 4.798 4.340 0.001 0.000 0.303 169 R C -2.808 173.471 176.300 -0.035 0.000 0.987 169 R CA -1.779 54.301 56.100 -0.033 0.000 0.881 169 R CB 2.066 32.340 30.300 -0.043 0.000 1.177 169 R HN 0.225 nan 8.270 nan 0.000 0.451 170 P HA 0.166 nan 4.420 nan 0.000 0.279 170 P C -0.452 176.845 177.300 -0.005 0.000 1.252 170 P CA -0.438 62.656 63.100 -0.011 0.000 0.811 170 P CB 1.019 32.716 31.700 -0.005 0.000 1.035 171 S N 0.854 116.577 115.700 0.037 0.000 2.584 171 S HA 0.351 4.822 4.470 0.001 0.000 0.273 171 S C 0.046 174.733 174.600 0.146 0.000 1.311 171 S CA -0.108 58.120 58.200 0.047 0.000 1.034 171 S CB -0.803 62.481 63.200 0.141 0.000 0.939 171 S HN 0.465 nan 8.310 nan 0.000 0.513 172 F N -0.035 119.896 119.950 -0.032 0.000 3.018 172 F HA -0.244 4.284 4.527 0.001 0.000 0.287 172 F C 0.936 176.711 175.800 -0.042 0.000 0.813 172 F CA 0.843 58.821 58.000 -0.037 0.000 1.209 172 F CB -2.025 36.956 39.000 -0.030 0.000 1.321 172 F HN 0.640 nan 8.300 nan 0.000 0.477 173 T N -1.863 112.716 114.554 0.041 0.000 2.916 173 T HA 0.887 5.237 4.350 0.001 0.000 0.292 173 T C -0.189 174.499 174.700 -0.021 0.000 1.064 173 T CA -0.229 61.880 62.100 0.015 0.000 1.011 173 T CB 2.914 71.785 68.868 0.005 0.000 1.152 173 T HN 0.373 nan 8.240 nan 0.000 0.510 174 M N -0.626 118.965 119.600 -0.014 0.000 2.948 174 M HA 0.835 5.316 4.480 0.001 0.000 0.278 174 M C 0.814 177.109 176.300 -0.009 0.000 1.293 174 M CA 0.222 55.525 55.300 0.005 0.000 0.777 174 M CB 0.182 32.788 32.600 0.010 0.000 1.713 174 M HN 1.452 nan 8.290 nan 0.000 0.444 175 G N -0.540 108.275 108.800 0.025 0.000 2.233 175 G HA2 0.151 4.112 3.960 0.001 0.000 0.270 175 G HA3 0.151 4.112 3.960 0.001 0.000 0.270 175 G C 1.174 175.845 174.900 -0.382 0.000 1.011 175 G CA 1.077 46.003 45.100 -0.290 0.000 0.762 175 G HN 2.534 nan 8.290 nan 0.000 0.511 176 G N -1.711 107.047 108.800 -0.071 0.000 2.166 176 G HA2 -0.116 3.844 3.960 0.001 0.000 0.260 176 G HA3 -0.116 3.844 3.960 0.001 0.000 0.260 176 G C 0.610 175.476 174.900 -0.056 0.000 0.986 176 G CA 0.856 45.959 45.100 0.005 0.000 0.683 176 G HN 1.847 nan 8.290 nan 0.000 0.527 177 S N 0.160 115.812 115.700 -0.080 0.000 2.546 177 S HA 0.415 4.886 4.470 0.001 0.000 0.290 177 S C 1.657 176.223 174.600 -0.057 0.000 1.262 177 S CA 1.169 59.320 58.200 -0.081 0.000 1.083 177 S CB 0.887 64.043 63.200 -0.074 0.000 0.859 177 S HN 2.106 nan 8.310 nan 0.000 0.495 178 G N 2.353 111.113 108.800 -0.066 0.000 2.159 178 G HA2 -0.160 3.801 3.960 0.001 0.000 0.256 178 G HA3 -0.160 3.801 3.960 0.001 0.000 0.256 178 G C 0.328 175.194 174.900 -0.056 0.000 0.977 178 G CA -0.074 44.991 45.100 -0.059 0.000 0.652 178 G HN 1.102 nan 8.290 nan 0.000 0.531 179 G N -1.361 107.412 108.800 -0.046 0.000 2.938 179 G HA2 1.038 4.999 3.960 0.001 0.000 0.258 179 G HA3 1.038 4.999 3.960 0.001 0.000 0.258 179 G C 0.284 175.168 174.900 -0.027 0.000 1.356 179 G CA 0.185 45.264 45.100 -0.036 0.000 1.052 179 G HN 1.783 nan 8.290 nan 0.000 0.550 180 G N -1.864 106.927 108.800 -0.015 0.000 2.337 180 G HA2 0.369 4.329 3.960 0.001 0.000 0.298 180 G HA3 0.369 4.329 3.960 0.001 0.000 0.298 180 G C -1.615 173.276 174.900 -0.016 0.000 1.335 180 G CA -0.905 44.194 45.100 -0.002 0.000 0.875 180 G HN 0.665 nan 8.290 nan 0.000 0.579 181 I N 1.406 121.960 120.570 -0.027 0.000 2.312 181 I HA 0.554 4.725 4.170 0.001 0.000 0.290 181 I C 0.703 176.703 176.117 -0.195 0.000 1.008 181 I CA -0.589 60.624 61.300 -0.145 0.000 1.226 181 I CB 1.678 39.538 38.000 -0.233 0.000 1.371 181 I HN 0.723 nan 8.210 nan 0.000 0.468 182 A N 5.982 128.726 122.820 -0.128 0.000 2.252 182 A HA 0.451 4.772 4.320 0.001 0.000 0.309 182 A C -0.379 177.073 177.584 -0.220 0.000 1.285 182 A CA -0.244 51.772 52.037 -0.035 0.000 0.900 182 A CB 0.059 19.259 19.000 0.333 0.000 1.157 182 A HN 0.739 nan 8.150 nan 0.000 0.536 183 Y N 1.605 121.836 120.300 -0.116 0.000 2.462 183 Y HA 0.126 4.677 4.550 0.001 0.000 0.261 183 Y C 0.802 176.395 175.900 -0.512 0.000 1.146 183 Y CA 0.564 58.563 58.100 -0.169 0.000 1.283 183 Y CB 0.271 38.677 38.460 -0.090 0.000 1.090 183 Y HN 0.909 nan 8.280 nan 0.000 0.526 184 N N -2.543 115.729 118.700 -0.713 0.000 2.927 184 N HA 0.175 4.916 4.740 0.001 0.000 0.248 184 N C 0.233 175.239 175.510 -0.840 0.000 1.443 184 N CA -1.008 51.486 53.050 -0.928 0.000 0.870 184 N CB 0.640 38.935 38.487 -0.320 0.000 1.444 184 N HN -0.206 nan 8.380 nan 0.000 0.519 185 R N -0.098 120.131 120.500 -0.452 0.000 2.096 185 R HA -0.113 4.228 4.340 0.001 0.000 0.235 185 R C 1.171 177.527 176.300 0.093 0.000 1.127 185 R CA 1.664 57.760 56.100 -0.007 0.000 0.968 185 R CB -0.139 30.229 30.300 0.112 0.000 0.861 185 R HN 0.817 nan 8.270 nan 0.000 0.440 186 E N 0.466 120.669 120.200 0.004 0.000 2.017 186 E HA -0.212 4.138 4.350 0.001 0.000 0.193 186 E C 1.770 178.393 176.600 0.040 0.000 0.997 186 E CA 1.546 57.964 56.400 0.030 0.000 0.804 186 E CB 0.027 29.727 29.700 0.001 0.000 0.757 186 E HN 0.421 nan 8.360 nan 0.000 0.448 187 E N -0.182 120.023 120.200 0.008 0.000 2.097 187 E HA -0.225 4.126 4.350 0.001 0.000 0.196 187 E C 1.923 178.558 176.600 0.058 0.000 1.000 187 E CA 1.199 57.613 56.400 0.023 0.000 0.804 187 E CB -0.291 29.422 29.700 0.020 0.000 0.740 187 E HN 0.262 nan 8.360 nan 0.000 0.454 188 F N 2.136 122.055 119.950 -0.052 0.000 2.091 188 F HA -0.228 4.300 4.527 0.001 0.000 0.299 188 F C 2.057 177.884 175.800 0.045 0.000 1.103 188 F CA 1.727 59.751 58.000 0.040 0.000 1.228 188 F CB 0.039 39.143 39.000 0.175 0.000 0.984 188 F HN -0.054 nan 8.300 nan 0.000 0.477 189 E N -0.354 119.912 120.200 0.110 0.000 2.150 189 E HA -0.245 4.106 4.350 0.001 0.000 0.193 189 E C 2.145 178.702 176.600 -0.072 0.000 0.985 189 E CA 1.150 57.555 56.400 0.008 0.000 0.814 189 E CB -0.351 29.409 29.700 0.101 0.000 0.752 189 E HN 0.613 nan 8.360 nan 0.000 0.466 190 E N 1.067 121.239 120.200 -0.046 0.000 2.047 190 E HA -0.180 4.170 4.350 0.001 0.000 0.191 190 E C 2.114 178.658 176.600 -0.095 0.000 0.987 190 E CA 0.832 57.200 56.400 -0.053 0.000 0.799 190 E CB 0.016 29.701 29.700 -0.025 0.000 0.752 190 E HN 0.209 nan 8.360 nan 0.000 0.449 191 I N 0.535 121.030 120.570 -0.125 0.000 2.286 191 I HA -0.282 3.889 4.170 0.001 0.000 0.245 191 I C 2.624 178.625 176.117 -0.194 0.000 1.104 191 I CA 0.497 61.713 61.300 -0.140 0.000 1.397 191 I CB -0.213 37.709 38.000 -0.129 0.000 1.072 191 I HN 0.301 nan 8.210 nan 0.000 0.417 192 C N 0.780 119.887 119.300 -0.322 0.000 2.429 192 C HA -0.117 4.343 4.460 0.001 0.000 0.277 192 C C 3.211 178.098 174.990 -0.171 0.000 1.262 192 C CA 0.964 59.785 59.018 -0.328 0.000 1.733 192 C CB -1.162 26.244 27.740 -0.556 0.000 2.010 192 C HN 0.593 nan 8.230 nan 0.000 0.483 193 A N 0.397 123.136 122.820 -0.134 0.000 1.902 193 A HA -0.221 4.100 4.320 0.001 0.000 0.217 193 A C 2.247 179.789 177.584 -0.071 0.000 1.181 193 A CA 1.850 53.845 52.037 -0.070 0.000 0.623 193 A CB -0.623 18.352 19.000 -0.041 0.000 0.818 193 A HN 0.656 nan 8.150 nan 0.000 0.443 194 R N -0.675 119.770 120.500 -0.091 0.000 2.073 194 R HA -0.102 4.239 4.340 0.001 0.000 0.234 194 R C 2.236 178.495 176.300 -0.068 0.000 1.134 194 R CA 1.667 57.715 56.100 -0.087 0.000 0.952 194 R CB -0.665 29.580 30.300 -0.092 0.000 0.850 194 R HN 0.446 nan 8.270 nan 0.000 0.433 195 G N 0.563 109.319 108.800 -0.073 0.000 2.421 195 G HA2 -0.174 3.786 3.960 0.001 0.000 0.217 195 G HA3 -0.174 3.786 3.960 0.001 0.000 0.217 195 G C 1.446 176.329 174.900 -0.029 0.000 1.143 195 G CA 0.262 45.331 45.100 -0.053 0.000 0.784 195 G HN 0.229 nan 8.290 nan 0.000 0.541 196 L N 0.123 121.326 121.223 -0.033 0.000 2.083 196 L HA -0.046 4.295 4.340 0.001 0.000 0.209 196 L C 2.422 179.299 176.870 0.010 0.000 1.083 196 L CA 1.249 56.087 54.840 -0.002 0.000 0.752 196 L CB -0.135 41.923 42.059 -0.001 0.000 0.899 196 L HN 0.151 nan 8.230 nan 0.000 0.433 197 D N -0.564 119.835 120.400 -0.003 0.000 2.234 197 D HA -0.137 4.504 4.640 0.001 0.000 0.205 197 D C 1.860 178.163 176.300 0.004 0.000 0.962 197 D CA 0.598 54.601 54.000 0.005 0.000 0.855 197 D CB 0.343 41.141 40.800 -0.003 0.000 0.951 197 D HN 0.099 nan 8.370 nan 0.000 0.500 198 L N -0.378 120.841 121.223 -0.006 0.000 2.354 198 L HA 0.269 4.610 4.340 0.001 0.000 0.212 198 L C 0.641 177.518 176.870 0.012 0.000 1.091 198 L CA 0.310 55.148 54.840 -0.004 0.000 0.828 198 L CB -0.245 41.802 42.059 -0.021 0.000 0.973 198 L HN -0.199 nan 8.230 nan 0.000 0.461 199 S N 0.640 116.353 115.700 0.021 0.000 2.544 199 S HA 0.079 4.550 4.470 0.001 0.000 0.290 199 S C -1.431 173.194 174.600 0.041 0.000 1.276 199 S CA -0.895 57.334 58.200 0.050 0.000 1.075 199 S CB 0.516 63.754 63.200 0.063 0.000 0.849 199 S HN 0.139 nan 8.310 nan 0.000 0.494 200 P HA -0.024 nan 4.420 nan 0.000 0.222 200 P C 0.946 178.202 177.300 -0.073 0.000 1.147 200 P CA 1.025 64.100 63.100 -0.041 0.000 0.790 200 P CB -0.119 31.516 31.700 -0.109 0.000 0.780 201 T N -5.031 109.526 114.554 0.005 0.000 3.174 201 T HA 0.190 4.541 4.350 0.001 0.000 0.269 201 T C 0.653 175.394 174.700 0.068 0.000 1.017 201 T CA -0.617 61.490 62.100 0.013 0.000 0.899 201 T CB -0.568 68.353 68.868 0.089 0.000 1.077 201 T HN -0.083 nan 8.240 nan 0.000 0.552 202 K N 1.104 121.543 120.400 0.065 0.000 3.490 202 K HA -0.213 4.107 4.320 0.001 0.000 0.273 202 K C -0.645 176.061 176.600 0.177 0.000 0.916 202 K CA 0.762 57.100 56.287 0.086 0.000 0.718 202 K CB -1.109 31.424 32.500 0.056 0.000 1.477 202 K HN 0.857 nan 8.250 nan 0.000 0.452 203 E N 0.940 121.234 120.200 0.157 0.000 2.321 203 E HA 0.449 4.800 4.350 0.001 0.000 0.278 203 E C -1.090 175.534 176.600 0.040 0.000 0.902 203 E CA -0.815 55.678 56.400 0.155 0.000 0.758 203 E CB 1.185 31.028 29.700 0.239 0.000 1.213 203 E HN 0.258 nan 8.360 nan 0.000 0.426 204 L N 3.433 124.634 121.223 -0.037 0.000 2.354 204 L HA 0.563 4.904 4.340 0.001 0.000 0.269 204 L C -1.004 175.830 176.870 -0.059 0.000 1.005 204 L CA -1.248 53.565 54.840 -0.045 0.000 0.819 204 L CB 1.723 43.747 42.059 -0.058 0.000 1.311 204 L HN 0.451 nan 8.230 nan 0.000 0.423 205 L N 3.389 124.590 121.223 -0.036 0.000 2.325 205 L HA 0.600 4.941 4.340 0.001 0.000 0.281 205 L C -0.944 175.918 176.870 -0.013 0.000 1.004 205 L CA 0.017 54.840 54.840 -0.028 0.000 0.823 205 L CB 1.352 43.399 42.059 -0.020 0.000 1.236 205 L HN 0.371 nan 8.230 nan 0.000 0.415 206 I N 4.598 125.169 120.570 0.002 0.000 2.382 206 I HA 0.392 4.563 4.170 0.001 0.000 0.286 206 I C -0.845 175.275 176.117 0.005 0.000 1.002 206 I CA -0.321 61.000 61.300 0.035 0.000 1.135 206 I CB 1.515 39.581 38.000 0.111 0.000 1.288 206 I HN 0.608 nan 8.210 nan 0.000 0.448 207 D N 4.426 124.820 120.400 -0.010 0.000 2.340 207 D HA 0.344 4.985 4.640 0.001 0.000 0.243 207 D C -0.519 175.744 176.300 -0.063 0.000 0.988 207 D CA -0.722 53.252 54.000 -0.043 0.000 0.959 207 D CB 1.040 41.806 40.800 -0.056 0.000 1.226 207 D HN 0.543 nan 8.370 nan 0.000 0.509 208 E N -0.534 119.613 120.200 -0.087 0.000 2.374 208 E HA 0.310 4.661 4.350 0.001 0.000 0.260 208 E C -0.386 176.137 176.600 -0.128 0.000 1.101 208 E CA -0.797 55.541 56.400 -0.104 0.000 0.907 208 E CB 1.043 30.681 29.700 -0.103 0.000 1.014 208 E HN 0.177 nan 8.360 nan 0.000 0.427 209 S N 1.733 117.362 115.700 -0.119 0.000 2.549 209 S HA 0.108 4.579 4.470 0.001 0.000 0.279 209 S C 0.307 174.763 174.600 -0.239 0.000 1.321 209 S CA -0.512 57.604 58.200 -0.140 0.000 1.054 209 S CB 0.011 63.162 63.200 -0.082 0.000 0.899 209 S HN 0.566 nan 8.310 nan 0.000 0.497 210 L N 5.237 126.272 121.223 -0.314 0.000 3.229 210 L HA 0.404 4.745 4.340 0.001 0.000 0.286 210 L C -0.095 176.586 176.870 -0.316 0.000 1.239 210 L CA -0.306 54.166 54.840 -0.614 0.000 1.035 210 L CB 0.054 41.588 42.059 -0.875 0.000 1.408 210 L HN 0.615 nan 8.230 nan 0.000 0.593 211 I N 1.565 122.059 120.570 -0.127 0.000 2.906 211 I HA -0.097 4.074 4.170 0.001 0.000 0.301 211 I C 1.511 177.675 176.117 0.078 0.000 1.221 211 I CA 1.546 62.841 61.300 -0.007 0.000 1.435 211 I CB 0.192 38.211 38.000 0.031 0.000 1.345 211 I HN 0.493 nan 8.210 nan 0.000 0.558 212 G N 4.360 113.229 108.800 0.116 0.000 2.232 212 G HA2 -0.217 3.744 3.960 0.001 0.000 0.226 212 G HA3 -0.217 3.744 3.960 0.001 0.000 0.226 212 G C -0.031 175.059 174.900 0.317 0.000 0.996 212 G CA -0.597 44.598 45.100 0.159 0.000 0.626 212 G HN 0.494 nan 8.290 nan 0.000 0.509 213 W N 1.696 123.025 121.300 0.048 0.000 1.992 213 W HA 0.622 5.283 4.660 0.002 0.000 0.360 213 W C 1.124 177.686 176.519 0.073 0.000 1.369 213 W CA -0.598 56.794 57.345 0.079 0.000 1.403 213 W CB 0.262 29.774 29.460 0.087 0.000 1.215 213 W HN 0.029 nan 8.180 nan 0.000 0.643 214 K N 1.171 121.750 120.400 0.297 0.000 2.237 214 K HA 0.165 4.486 4.320 0.001 0.000 0.270 214 K C -0.409 176.274 176.600 0.138 0.000 1.015 214 K CA -0.388 55.996 56.287 0.161 0.000 0.949 214 K CB 0.861 33.465 32.500 0.174 0.000 0.976 214 K HN 0.332 nan 8.250 nan 0.000 0.472 215 E N 2.255 122.410 120.200 -0.076 0.000 2.176 215 E HA 0.268 4.619 4.350 0.001 0.000 0.267 215 E C -1.620 174.827 176.600 -0.256 0.000 0.893 215 E CA -0.552 55.827 56.400 -0.035 0.000 0.761 215 E CB 0.752 30.446 29.700 -0.009 0.000 1.133 215 E HN 0.357 nan 8.360 nan 0.000 0.409 216 Y N 1.533 121.934 120.300 0.167 0.000 2.545 216 Y HA 0.430 4.981 4.550 0.001 0.000 0.348 216 Y C -0.302 175.709 175.900 0.186 0.000 1.002 216 Y CA -0.867 57.337 58.100 0.173 0.000 1.039 216 Y CB 2.256 40.819 38.460 0.172 0.000 1.271 216 Y HN 0.445 nan 8.280 nan 0.000 0.467 217 E N 2.274 122.668 120.200 0.324 0.000 2.367 217 E HA 0.692 5.043 4.350 0.001 0.000 0.273 217 E C -1.434 175.294 176.600 0.213 0.000 0.903 217 E CA -1.061 55.467 56.400 0.213 0.000 0.764 217 E CB 3.084 32.843 29.700 0.099 0.000 1.252 217 E HN 0.465 nan 8.360 nan 0.000 0.446 218 M N 1.475 121.179 119.600 0.173 0.000 2.386 218 M HA 0.300 4.781 4.480 0.001 0.000 0.293 218 M C -1.127 175.211 176.300 0.063 0.000 1.120 218 M CA -0.844 54.528 55.300 0.120 0.000 0.909 218 M CB 2.421 35.099 32.600 0.130 0.000 1.661 218 M HN 0.322 nan 8.290 nan 0.000 0.452 219 E N 3.090 123.306 120.200 0.028 0.000 2.115 219 E HA 0.491 4.842 4.350 0.001 0.000 0.282 219 E C -1.108 175.466 176.600 -0.043 0.000 0.987 219 E CA -0.319 56.079 56.400 -0.004 0.000 0.797 219 E CB 1.882 31.577 29.700 -0.009 0.000 1.086 219 E HN 0.374 nan 8.360 nan 0.000 0.397 220 V N 2.280 122.177 119.914 -0.028 0.000 2.628 220 V HA 0.538 4.659 4.120 0.001 0.000 0.306 220 V C 0.065 176.138 176.094 -0.034 0.000 1.045 220 V CA -0.976 61.301 62.300 -0.039 0.000 0.905 220 V CB 2.106 33.927 31.823 -0.003 0.000 0.997 220 V HN 0.327 nan 8.190 nan 0.000 0.436 221 V N 3.868 123.753 119.914 -0.049 0.000 2.709 221 V HA 0.696 4.817 4.120 0.001 0.000 0.308 221 V C -0.349 175.751 176.094 0.009 0.000 1.062 221 V CA -0.703 61.593 62.300 -0.007 0.000 0.901 221 V CB 2.090 33.915 31.823 0.004 0.000 1.003 221 V HN 0.962 nan 8.190 nan 0.000 0.425 222 R N 2.555 123.075 120.500 0.033 0.000 2.533 222 R HA 0.559 4.900 4.340 0.001 0.000 0.288 222 R C -1.439 174.891 176.300 0.050 0.000 1.039 222 R CA -0.496 55.626 56.100 0.036 0.000 0.909 222 R CB 1.825 32.142 30.300 0.028 0.000 1.195 222 R HN 0.931 nan 8.270 nan 0.000 0.438 223 D N 2.531 122.964 120.400 0.056 0.000 2.437 223 D HA 0.106 4.747 4.640 0.001 0.000 0.259 223 D C 0.629 176.958 176.300 0.048 0.000 1.118 223 D CA -0.745 53.293 54.000 0.063 0.000 1.017 223 D CB 1.006 41.854 40.800 0.080 0.000 1.120 223 D HN 0.616 nan 8.370 nan 0.000 0.541 224 K N -0.309 120.118 120.400 0.046 0.000 2.280 224 K HA -0.115 4.206 4.320 0.001 0.000 0.202 224 K C 0.632 177.250 176.600 0.031 0.000 1.047 224 K CA 0.838 57.145 56.287 0.034 0.000 0.942 224 K CB -0.350 32.166 32.500 0.028 0.000 0.739 224 K HN 0.113 nan 8.250 nan 0.000 0.457 225 N N 1.143 119.865 118.700 0.037 0.000 2.521 225 N HA -0.076 4.665 4.740 0.001 0.000 0.188 225 N C -0.446 175.083 175.510 0.032 0.000 1.146 225 N CA 0.928 53.998 53.050 0.034 0.000 0.893 225 N CB 0.003 38.514 38.487 0.040 0.000 0.975 225 N HN 0.350 nan 8.380 nan 0.000 0.451 226 D N -1.131 119.288 120.400 0.032 0.000 3.006 226 D HA -0.164 4.477 4.640 0.001 0.000 0.205 226 D C -0.809 175.510 176.300 0.032 0.000 1.075 226 D CA 0.384 54.401 54.000 0.028 0.000 1.000 226 D CB -1.442 39.371 40.800 0.022 0.000 1.097 226 D HN 0.166 nan 8.370 nan 0.000 0.426 227 N N 0.306 119.030 118.700 0.040 0.000 2.441 227 N HA 0.251 4.992 4.740 0.001 0.000 0.251 227 N C -0.204 175.328 175.510 0.037 0.000 1.242 227 N CA 0.462 53.539 53.050 0.044 0.000 0.898 227 N CB 1.126 39.649 38.487 0.060 0.000 1.100 227 N HN 0.346 nan 8.380 nan 0.000 0.443 228 C N 3.501 122.818 119.300 0.029 0.000 2.752 228 C HA 0.621 5.081 4.460 0.001 0.000 0.360 228 C C -0.721 174.266 174.990 -0.006 0.000 1.081 228 C CA -0.777 58.249 59.018 0.013 0.000 1.272 228 C CB -0.483 27.264 27.740 0.012 0.000 1.754 228 C HN 0.697 nan 8.230 nan 0.000 0.483 229 I N 3.559 124.107 120.570 -0.037 0.000 2.828 229 I HA 0.672 4.843 4.170 0.001 0.000 0.302 229 I C -1.109 174.932 176.117 -0.126 0.000 1.101 229 I CA -0.866 60.380 61.300 -0.090 0.000 1.031 229 I CB 1.727 39.635 38.000 -0.153 0.000 1.231 229 I HN 0.279 nan 8.210 nan 0.000 0.427 230 I N 5.305 125.802 120.570 -0.122 0.000 2.301 230 I HA 0.148 4.319 4.170 0.001 0.000 0.292 230 I C 1.115 177.103 176.117 -0.215 0.000 1.046 230 I CA -0.324 60.909 61.300 -0.111 0.000 1.282 230 I CB 1.185 39.168 38.000 -0.029 0.000 1.409 230 I HN 0.565 nan 8.210 nan 0.000 0.484 231 V N 5.291 125.036 119.914 -0.282 0.000 2.488 231 V HA -0.066 4.055 4.120 0.001 0.000 0.246 231 V C 0.796 176.761 176.094 -0.216 0.000 1.046 231 V CA 1.051 63.089 62.300 -0.436 0.000 1.053 231 V CB 0.240 31.715 31.823 -0.580 0.000 0.679 231 V HN 0.881 nan 8.190 nan 0.000 0.458 232 C N -0.355 118.889 119.300 -0.093 0.000 3.239 232 C HA 0.621 5.082 4.460 0.001 0.000 0.329 232 C C -0.359 174.662 174.990 0.052 0.000 1.252 232 C CA -0.355 58.659 59.018 -0.007 0.000 1.323 232 C CB 1.379 29.125 27.740 0.009 0.000 1.663 232 C HN 0.478 nan 8.230 nan 0.000 0.487 233 S N 3.352 119.116 115.700 0.106 0.000 2.532 233 S HA 0.892 5.363 4.470 0.001 0.000 0.301 233 S C -1.097 173.604 174.600 0.168 0.000 1.083 233 S CA -0.579 57.718 58.200 0.161 0.000 1.025 233 S CB 1.334 64.698 63.200 0.273 0.000 1.056 233 S HN 0.720 nan 8.310 nan 0.000 0.494 234 I N 1.277 121.971 120.570 0.207 0.000 2.534 234 I HA 0.393 4.564 4.170 0.001 0.000 0.288 234 I C -0.570 175.688 176.117 0.234 0.000 1.077 234 I CA -0.335 61.078 61.300 0.187 0.000 1.051 234 I CB 2.185 40.262 38.000 0.128 0.000 1.234 234 I HN 0.821 nan 8.210 nan 0.000 0.425 235 E N 6.607 126.925 120.200 0.197 0.000 2.133 235 E HA 0.332 4.682 4.350 0.001 0.000 0.274 235 E C -0.833 175.784 176.600 0.029 0.000 0.930 235 E CA -0.557 55.873 56.400 0.049 0.000 0.770 235 E CB 1.026 30.852 29.700 0.209 0.000 1.104 235 E HN 0.542 nan 8.360 nan 0.000 0.403 236 N N 3.958 122.588 118.700 -0.116 0.000 2.530 236 N HA 0.069 4.810 4.740 0.001 0.000 0.273 236 N C 0.120 175.621 175.510 -0.015 0.000 1.173 236 N CA -0.144 52.891 53.050 -0.026 0.000 0.967 236 N CB 0.702 39.163 38.487 -0.042 0.000 1.109 236 N HN 0.539 nan 8.380 nan 0.000 0.453 237 F N 1.674 121.477 119.950 -0.244 0.000 2.147 237 F HA 0.047 4.575 4.527 0.001 0.000 0.291 237 F C 0.595 176.269 175.800 -0.209 0.000 1.093 237 F CA 0.672 58.379 58.000 -0.488 0.000 1.263 237 F CB 0.305 38.979 39.000 -0.544 0.000 1.036 237 F HN 0.381 nan 8.300 nan 0.000 0.481 238 D N 1.832 122.330 120.400 0.163 0.000 2.351 238 D HA 0.269 4.910 4.640 0.001 0.000 0.251 238 D C 0.369 176.683 176.300 0.023 0.000 1.137 238 D CA 0.363 54.420 54.000 0.094 0.000 0.879 238 D CB 1.387 42.294 40.800 0.178 0.000 1.181 238 D HN 0.323 nan 8.370 nan 0.000 0.448 239 A N 3.321 126.142 122.820 0.003 0.000 2.281 239 A HA 0.191 4.512 4.320 0.001 0.000 0.271 239 A C 0.794 178.407 177.584 0.048 0.000 1.196 239 A CA -0.397 51.656 52.037 0.028 0.000 0.807 239 A CB 0.236 19.255 19.000 0.031 0.000 1.138 239 A HN 0.535 nan 8.150 nan 0.000 0.506 240 M N -0.338 119.306 119.600 0.073 0.000 2.252 240 M HA 0.294 4.775 4.480 0.001 0.000 0.333 240 M C 1.392 177.716 176.300 0.039 0.000 1.111 240 M CA 1.877 57.208 55.300 0.051 0.000 1.140 240 M CB -0.032 32.606 32.600 0.062 0.000 1.538 240 M HN 1.448 nan 8.290 nan 0.000 0.448 241 G N 3.114 111.930 108.800 0.028 0.000 2.316 241 G HA2 -0.158 3.803 3.960 0.001 0.000 0.203 241 G HA3 -0.158 3.803 3.960 0.001 0.000 0.203 241 G C -0.009 174.937 174.900 0.075 0.000 0.999 241 G CA -0.582 44.544 45.100 0.043 0.000 0.649 241 G HN 0.562 nan 8.290 nan 0.000 0.489 242 I N 2.302 122.922 120.570 0.083 0.000 2.410 242 I HA 0.336 4.507 4.170 0.001 0.000 0.286 242 I C 0.595 176.795 176.117 0.139 0.000 1.009 242 I CA -1.081 60.296 61.300 0.129 0.000 1.111 242 I CB 1.373 39.455 38.000 0.137 0.000 1.262 242 I HN 0.152 nan 8.210 nan 0.000 0.443 243 H N 5.014 124.130 119.070 0.077 0.000 3.092 243 H HA -0.092 4.465 4.556 0.001 0.000 0.332 243 H C 1.234 176.599 175.328 0.062 0.000 1.029 243 H CA 1.383 57.465 56.048 0.057 0.000 1.376 243 H CB 1.201 30.993 29.762 0.050 0.000 1.329 243 H HN 0.882 nan 8.280 nan 0.000 0.598 244 T N 0.841 115.291 114.554 -0.173 0.000 2.721 244 T HA -0.176 4.174 4.350 0.001 0.000 0.268 244 T C 2.102 176.912 174.700 0.182 0.000 1.038 244 T CA 1.314 63.404 62.100 -0.016 0.000 1.145 244 T CB -0.692 68.109 68.868 -0.112 0.000 0.858 244 T HN 0.631 nan 8.240 nan 0.000 0.459 245 G N 0.639 109.734 108.800 0.491 0.000 2.534 245 G HA2 -0.011 3.950 3.960 0.001 0.000 0.217 245 G HA3 -0.011 3.950 3.960 0.001 0.000 0.217 245 G C 1.020 176.003 174.900 0.138 0.000 1.128 245 G CA 0.580 45.829 45.100 0.247 0.000 0.784 245 G HN 0.497 nan 8.290 nan 0.000 0.542 246 D N -0.233 120.306 120.400 0.231 0.000 2.363 246 D HA 0.224 4.865 4.640 0.001 0.000 0.214 246 D C 0.722 177.208 176.300 0.311 0.000 1.093 246 D CA 0.036 54.206 54.000 0.284 0.000 0.837 246 D CB 0.700 41.749 40.800 0.415 0.000 0.948 246 D HN 0.084 nan 8.370 nan 0.000 0.507 247 S N -0.179 115.644 115.700 0.205 0.000 2.690 247 S HA 0.482 4.953 4.470 0.001 0.000 0.291 247 S C 0.390 175.056 174.600 0.110 0.000 1.138 247 S CA -0.643 57.659 58.200 0.170 0.000 1.013 247 S CB 1.711 64.987 63.200 0.126 0.000 1.053 247 S HN 0.021 nan 8.310 nan 0.000 0.539 248 I N 2.287 122.903 120.570 0.076 0.000 2.428 248 I HA 0.320 4.491 4.170 0.001 0.000 0.289 248 I C 0.568 176.690 176.117 0.008 0.000 1.019 248 I CA 0.081 61.345 61.300 -0.061 0.000 1.351 248 I CB 1.181 38.945 38.000 -0.393 0.000 1.412 248 I HN 0.704 nan 8.210 nan 0.000 0.513 249 T N 3.543 118.096 114.554 -0.001 0.000 2.883 249 T HA 0.780 5.131 4.350 0.001 0.000 0.296 249 T C -0.621 174.118 174.700 0.066 0.000 1.117 249 T CA -0.780 61.347 62.100 0.045 0.000 1.006 249 T CB 1.879 70.778 68.868 0.051 0.000 1.191 249 T HN 0.445 nan 8.240 nan 0.000 0.508 250 V N -1.596 118.397 119.914 0.132 0.000 2.876 250 V HA 1.008 5.129 4.120 0.001 0.000 0.312 250 V C -0.513 175.677 176.094 0.159 0.000 1.085 250 V CA -1.187 61.217 62.300 0.174 0.000 0.945 250 V CB 1.214 33.224 31.823 0.312 0.000 1.017 250 V HN 1.564 nan 8.190 nan 0.000 0.428 251 A N 5.166 128.064 122.820 0.129 0.000 2.343 251 A HA 1.034 5.355 4.320 0.001 0.000 0.316 251 A C -2.775 174.857 177.584 0.079 0.000 1.104 251 A CA -1.748 50.350 52.037 0.103 0.000 0.768 251 A CB 1.782 20.829 19.000 0.078 0.000 1.213 251 A HN 0.811 nan 8.150 nan 0.000 0.456 252 P HA 0.541 nan 4.420 nan 0.000 0.314 252 P C 0.081 177.441 177.300 0.099 0.000 1.306 252 P CA -0.344 62.795 63.100 0.066 0.000 0.782 252 P CB 0.970 32.672 31.700 0.004 0.000 1.337 253 A N 0.447 123.365 122.820 0.162 0.000 2.547 253 A HA 0.028 4.349 4.320 0.001 0.000 0.233 253 A C 1.077 178.671 177.584 0.016 0.000 1.067 253 A CA 0.576 52.747 52.037 0.223 0.000 0.763 253 A CB -0.411 18.770 19.000 0.302 0.000 1.007 253 A HN 0.510 nan 8.150 nan 0.000 0.506 254 Q N -0.362 119.379 119.800 -0.099 0.000 2.404 254 Q HA 0.032 4.373 4.340 0.001 0.000 0.262 254 Q C 1.172 176.831 176.000 -0.568 0.000 0.846 254 Q CA 1.421 56.918 55.803 -0.511 0.000 0.978 254 Q CB 0.068 28.111 28.738 -1.158 0.000 1.156 254 Q HN 1.005 nan 8.270 nan 0.000 0.548 255 T N -1.560 112.794 114.554 -0.333 0.000 3.248 255 T HA 0.515 4.866 4.350 0.001 0.000 0.271 255 T C 0.364 174.997 174.700 -0.111 0.000 1.005 255 T CA -0.154 61.791 62.100 -0.258 0.000 0.902 255 T CB -0.378 68.371 68.868 -0.199 0.000 1.102 255 T HN -0.103 nan 8.240 nan 0.000 0.548 256 L N 2.466 123.622 121.223 -0.111 0.000 2.325 256 L HA 0.553 4.894 4.340 0.001 0.000 0.278 256 L C 0.827 177.639 176.870 -0.096 0.000 1.023 256 L CA -1.087 53.683 54.840 -0.116 0.000 0.811 256 L CB 1.984 43.943 42.059 -0.168 0.000 1.249 256 L HN 0.312 nan 8.230 nan 0.000 0.431 257 T N -2.909 111.593 114.554 -0.086 0.000 2.828 257 T HA 0.022 4.373 4.350 0.001 0.000 0.290 257 T C 0.718 175.390 174.700 -0.046 0.000 1.019 257 T CA -0.529 61.527 62.100 -0.073 0.000 1.031 257 T CB 1.250 70.079 68.868 -0.066 0.000 1.001 257 T HN 0.681 nan 8.240 nan 0.000 0.531 258 D N 0.366 120.734 120.400 -0.054 0.000 2.158 258 D HA -0.147 4.494 4.640 0.001 0.000 0.197 258 D C 1.920 178.225 176.300 0.009 0.000 0.995 258 D CA 1.536 55.516 54.000 -0.034 0.000 0.846 258 D CB -0.066 40.699 40.800 -0.058 0.000 0.941 258 D HN 0.646 nan 8.370 nan 0.000 0.456 259 K N -0.143 120.243 120.400 -0.023 0.000 2.057 259 K HA -0.144 4.177 4.320 0.001 0.000 0.207 259 K C 2.203 178.773 176.600 -0.050 0.000 1.049 259 K CA 1.378 57.646 56.287 -0.032 0.000 0.931 259 K CB -0.112 32.363 32.500 -0.042 0.000 0.714 259 K HN 0.332 nan 8.250 nan 0.000 0.440 260 E N -0.106 120.054 120.200 -0.068 0.000 2.107 260 E HA -0.186 4.165 4.350 0.001 0.000 0.191 260 E C 1.815 178.314 176.600 -0.168 0.000 0.982 260 E CA 0.811 57.133 56.400 -0.130 0.000 0.809 260 E CB -0.173 29.433 29.700 -0.157 0.000 0.756 260 E HN 0.297 nan 8.360 nan 0.000 0.459 261 Y N 2.063 122.235 120.300 -0.214 0.000 2.128 261 Y HA -0.304 4.247 4.550 0.001 0.000 0.284 261 Y C 2.298 178.083 175.900 -0.192 0.000 1.154 261 Y CA 1.697 59.664 58.100 -0.222 0.000 1.149 261 Y CB 0.118 38.476 38.460 -0.171 0.000 0.976 261 Y HN -0.037 nan 8.280 nan 0.000 0.505 262 Q N 0.285 120.101 119.800 0.027 0.000 2.084 262 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 262 Q C 2.485 178.401 176.000 -0.140 0.000 0.978 262 Q CA 1.921 57.709 55.803 -0.025 0.000 0.844 262 Q CB -0.564 28.183 28.738 0.016 0.000 0.898 262 Q HN 0.626 nan 8.270 nan 0.000 0.426 263 I N 0.324 120.799 120.570 -0.159 0.000 2.226 263 I HA -0.287 3.883 4.170 0.001 0.000 0.245 263 I C 2.533 178.475 176.117 -0.291 0.000 1.100 263 I CA 1.096 62.286 61.300 -0.182 0.000 1.374 263 I CB -0.278 37.623 38.000 -0.166 0.000 1.057 263 I HN 0.230 nan 8.210 nan 0.000 0.413 264 M N 0.535 119.864 119.600 -0.451 0.000 2.117 264 M HA -0.252 4.229 4.480 0.001 0.000 0.262 264 M C 2.529 178.496 176.300 -0.555 0.000 1.065 264 M CA 1.722 56.595 55.300 -0.713 0.000 1.114 264 M CB -0.205 31.871 32.600 -0.873 0.000 1.361 264 M HN 0.075 nan 8.290 nan 0.000 0.408 265 R N 0.051 120.264 120.500 -0.478 0.000 2.120 265 R HA -0.146 4.195 4.340 0.001 0.000 0.234 265 R C 1.467 177.681 176.300 -0.144 0.000 1.123 265 R CA 2.159 58.076 56.100 -0.304 0.000 0.975 265 R CB -0.378 29.764 30.300 -0.263 0.000 0.866 265 R HN 0.568 nan 8.270 nan 0.000 0.446 266 N N -0.004 118.616 118.700 -0.134 0.000 2.142 266 N HA -0.116 4.625 4.740 0.001 0.000 0.186 266 N C 1.812 177.303 175.510 -0.033 0.000 1.023 266 N CA 1.047 54.056 53.050 -0.068 0.000 0.852 266 N CB -0.123 38.328 38.487 -0.061 0.000 0.998 266 N HN 0.261 nan 8.380 nan 0.000 0.424 267 A N 0.773 123.565 122.820 -0.047 0.000 1.883 267 A HA -0.157 4.164 4.320 0.001 0.000 0.217 267 A C 2.342 180.030 177.584 0.173 0.000 1.186 267 A CA 1.649 53.717 52.037 0.053 0.000 0.624 267 A CB -0.831 18.177 19.000 0.014 0.000 0.822 267 A HN 0.189 nan 8.150 nan 0.000 0.444 268 S N -0.416 115.412 115.700 0.213 0.000 2.365 268 S HA -0.228 4.243 4.470 0.001 0.000 0.225 268 S C 2.077 176.745 174.600 0.114 0.000 1.039 268 S CA 1.976 60.331 58.200 0.259 0.000 1.033 268 S CB -0.447 62.863 63.200 0.183 0.000 0.887 268 S HN 0.575 nan 8.310 nan 0.000 0.447 269 M N 0.902 120.535 119.600 0.055 0.000 2.067 269 M HA -0.111 4.370 4.480 0.001 0.000 0.260 269 M C 2.583 178.902 176.300 0.032 0.000 1.069 269 M CA 1.539 56.857 55.300 0.030 0.000 1.117 269 M CB -0.709 31.897 32.600 0.010 0.000 1.334 269 M HN 0.400 nan 8.290 nan 0.000 0.407 270 A N 0.050 122.888 122.820 0.030 0.000 1.908 270 A HA -0.129 4.191 4.320 0.001 0.000 0.218 270 A C 2.250 179.847 177.584 0.022 0.000 1.181 270 A CA 1.810 53.859 52.037 0.020 0.000 0.627 270 A CB -1.119 17.890 19.000 0.015 0.000 0.818 270 A HN 0.321 nan 8.150 nan 0.000 0.445 271 V N -0.609 119.335 119.914 0.050 0.000 2.392 271 V HA -0.247 3.874 4.120 0.001 0.000 0.249 271 V C 2.501 178.622 176.094 0.045 0.000 1.059 271 V CA 1.991 64.317 62.300 0.043 0.000 1.051 271 V CB -0.684 31.194 31.823 0.091 0.000 0.658 271 V HN 0.507 nan 8.190 nan 0.000 0.455 272 L N -0.679 120.572 121.223 0.047 0.000 2.093 272 L HA -0.074 4.267 4.340 0.001 0.000 0.208 272 L C 2.556 179.442 176.870 0.026 0.000 1.085 272 L CA 1.749 56.613 54.840 0.039 0.000 0.755 272 L CB -0.620 41.459 42.059 0.034 0.000 0.904 272 L HN 0.185 nan 8.230 nan 0.000 0.435 273 R N -0.820 119.691 120.500 0.019 0.000 2.075 273 R HA -0.192 4.149 4.340 0.001 0.000 0.232 273 R C 2.199 178.501 176.300 0.003 0.000 1.126 273 R CA 1.329 57.435 56.100 0.011 0.000 0.963 273 R CB -0.204 30.100 30.300 0.007 0.000 0.858 273 R HN 0.241 nan 8.270 nan 0.000 0.435 274 E N 1.043 121.240 120.200 -0.006 0.000 2.047 274 E HA -0.150 4.201 4.350 0.001 0.000 0.191 274 E C 1.636 178.227 176.600 -0.014 0.000 0.987 274 E CA 1.172 57.559 56.400 -0.022 0.000 0.799 274 E CB -0.149 29.519 29.700 -0.053 0.000 0.752 274 E HN 0.074 nan 8.360 nan 0.000 0.449 275 I N 0.014 120.586 120.570 0.003 0.000 2.264 275 I HA -0.024 4.147 4.170 0.001 0.000 0.248 275 I C 1.722 177.854 176.117 0.024 0.000 1.111 275 I CA 1.853 63.171 61.300 0.029 0.000 1.382 275 I CB -0.399 37.645 38.000 0.074 0.000 1.060 275 I HN 0.437 nan 8.210 nan 0.000 0.418 276 G N -0.448 108.364 108.800 0.021 0.000 2.151 276 G HA2 -0.155 3.806 3.960 0.001 0.000 0.156 276 G HA3 -0.155 3.806 3.960 0.001 0.000 0.156 276 G C 0.068 174.981 174.900 0.022 0.000 1.017 276 G CA -0.086 45.025 45.100 0.019 0.000 0.686 276 G HN 0.128 nan 8.290 nan 0.000 0.503 277 V N 0.744 120.673 119.914 0.025 0.000 2.372 277 V HA 0.348 4.469 4.120 0.001 0.000 0.261 277 V C 1.154 177.263 176.094 0.025 0.000 1.055 277 V CA 0.612 62.927 62.300 0.026 0.000 0.930 277 V CB 1.246 33.086 31.823 0.028 0.000 1.031 277 V HN 0.493 nan 8.190 nan 0.000 0.479 278 E N 2.316 122.531 120.200 0.025 0.000 2.465 278 E HA 0.058 4.409 4.350 0.001 0.000 0.209 278 E C 0.642 177.261 176.600 0.032 0.000 0.951 278 E CA 0.599 57.015 56.400 0.026 0.000 0.997 278 E CB 0.809 30.522 29.700 0.022 0.000 1.025 278 E HN 0.825 nan 8.360 nan 0.000 0.500 279 T N -1.539 113.035 114.554 0.033 0.000 3.839 279 T HA 0.615 4.966 4.350 0.001 0.000 0.230 279 T C 0.006 174.732 174.700 0.043 0.000 1.095 279 T CA -0.325 61.799 62.100 0.040 0.000 1.470 279 T CB 0.918 69.806 68.868 0.034 0.000 0.881 279 T HN 0.137 nan 8.240 nan 0.000 0.637 280 G N -0.303 108.524 108.800 0.046 0.000 2.341 280 G HA2 0.651 4.612 3.960 0.001 0.000 0.299 280 G HA3 0.651 4.612 3.960 0.001 0.000 0.299 280 G C -0.700 174.230 174.900 0.049 0.000 1.274 280 G CA -0.204 44.926 45.100 0.050 0.000 0.853 280 G HN 0.609 nan 8.290 nan 0.000 0.493 281 G N -1.021 107.809 108.800 0.051 0.000 2.434 281 G HA2 0.674 4.635 3.960 0.001 0.000 0.330 281 G HA3 0.674 4.635 3.960 0.001 0.000 0.330 281 G C -0.651 174.270 174.900 0.035 0.000 1.155 281 G CA 0.058 45.183 45.100 0.042 0.000 0.917 281 G HN 1.177 nan 8.290 nan 0.000 0.493 282 S N -0.601 115.114 115.700 0.024 0.000 2.547 282 S HA 0.365 4.836 4.470 0.001 0.000 0.270 282 S C -1.028 173.579 174.600 0.011 0.000 1.150 282 S CA -0.936 57.274 58.200 0.018 0.000 0.850 282 S CB 1.890 65.099 63.200 0.014 0.000 1.118 282 S HN 0.798 nan 8.310 nan 0.000 0.461 283 N N 1.455 120.154 118.700 -0.001 0.000 2.408 283 N HA 0.521 5.262 4.740 0.001 0.000 0.280 283 N C -1.536 173.939 175.510 -0.058 0.000 1.002 283 N CA -0.267 52.777 53.050 -0.011 0.000 0.907 283 N CB 1.226 39.712 38.487 -0.002 0.000 1.161 283 N HN 0.345 nan 8.380 nan 0.000 0.488 284 V N 3.165 123.039 119.914 -0.067 0.000 2.448 284 V HA 0.331 4.452 4.120 0.001 0.000 0.295 284 V C -0.205 175.692 176.094 -0.327 0.000 1.025 284 V CA -0.722 61.456 62.300 -0.203 0.000 0.859 284 V CB 1.506 33.251 31.823 -0.130 0.000 0.988 284 V HN 0.664 nan 8.190 nan 0.000 0.431 285 Q N 3.324 122.846 119.800 -0.463 0.000 2.274 285 Q HA 0.749 5.090 4.340 0.001 0.000 0.260 285 Q C -1.509 174.148 176.000 -0.573 0.000 0.974 285 Q CA -0.284 55.313 55.803 -0.344 0.000 0.876 285 Q CB 2.443 31.061 28.738 -0.200 0.000 1.297 285 Q HN 0.670 nan 8.270 nan 0.000 0.446 286 F N -0.104 119.907 119.950 0.102 0.000 2.640 286 F HA 0.809 5.337 4.527 0.001 0.000 0.324 286 F C -0.361 175.557 175.800 0.196 0.000 1.077 286 F CA -1.205 56.877 58.000 0.136 0.000 0.965 286 F CB 1.594 40.670 39.000 0.128 0.000 1.351 286 F HN 0.491 nan 8.300 nan 0.000 0.487 287 A N 0.774 123.875 122.820 0.468 0.000 2.365 287 A HA 0.852 5.173 4.320 0.001 0.000 0.318 287 A C -1.720 176.195 177.584 0.552 0.000 1.091 287 A CA -0.721 51.593 52.037 0.462 0.000 0.763 287 A CB 1.513 20.735 19.000 0.370 0.000 1.248 287 A HN 0.528 nan 8.150 nan 0.000 0.442 288 V N 2.702 122.927 119.914 0.518 0.000 2.531 288 V HA 0.305 4.426 4.120 0.001 0.000 0.301 288 V C -0.396 175.666 176.094 -0.054 0.000 1.034 288 V CA -0.950 61.510 62.300 0.266 0.000 0.865 288 V CB 1.952 33.904 31.823 0.214 0.000 0.995 288 V HN 0.910 nan 8.190 nan 0.000 0.424 289 N N 7.176 125.505 118.700 -0.619 0.000 2.405 289 N HA 0.224 4.965 4.740 0.001 0.000 0.260 289 N C -1.456 173.766 175.510 -0.480 0.000 1.152 289 N CA -1.877 50.463 53.050 -1.183 0.000 0.948 289 N CB 1.801 39.352 38.487 -1.559 0.000 1.111 289 N HN 0.298 nan 8.380 nan 0.000 0.485 290 P HA -0.118 nan 4.420 nan 0.000 0.221 290 P C 0.419 177.641 177.300 -0.129 0.000 1.145 290 P CA 1.343 64.374 63.100 -0.115 0.000 0.795 290 P CB 0.422 32.126 31.700 0.007 0.000 0.775 291 K N -0.391 119.898 120.400 -0.184 0.000 2.305 291 K HA -0.012 4.309 4.320 0.001 0.000 0.199 291 K C 0.830 177.355 176.600 -0.125 0.000 1.047 291 K CA 1.161 57.371 56.287 -0.129 0.000 0.976 291 K CB -0.134 32.306 32.500 -0.101 0.000 0.765 291 K HN 0.271 nan 8.250 nan 0.000 0.474 292 N N -2.244 116.357 118.700 -0.166 0.000 2.110 292 N HA 0.090 4.831 4.740 0.001 0.000 0.230 292 N C 0.541 175.977 175.510 -0.124 0.000 1.353 292 N CA 0.240 53.216 53.050 -0.124 0.000 0.807 292 N CB 0.589 39.012 38.487 -0.107 0.000 1.244 292 N HN 0.041 nan 8.380 nan 0.000 0.504 293 G N 1.072 109.783 108.800 -0.148 0.000 2.175 293 G HA2 -0.431 3.530 3.960 0.001 0.000 0.265 293 G HA3 -0.431 3.530 3.960 0.001 0.000 0.265 293 G C 0.094 174.925 174.900 -0.115 0.000 0.979 293 G CA 0.460 45.484 45.100 -0.126 0.000 0.663 293 G HN 0.724 nan 8.290 nan 0.000 0.533 294 R N -0.287 120.127 120.500 -0.142 0.000 2.537 294 R HA 0.344 4.685 4.340 0.001 0.000 0.281 294 R C 0.002 176.323 176.300 0.035 0.000 0.988 294 R CA -0.196 55.872 56.100 -0.053 0.000 1.077 294 R CB 0.074 30.355 30.300 -0.031 0.000 0.932 294 R HN 0.342 nan 8.270 nan 0.000 0.409 295 L N 6.394 127.671 121.223 0.090 0.000 2.307 295 L HA 0.529 4.870 4.340 0.001 0.000 0.284 295 L C -0.989 176.027 176.870 0.244 0.000 1.023 295 L CA -0.341 54.584 54.840 0.142 0.000 0.810 295 L CB 1.493 43.550 42.059 -0.002 0.000 1.231 295 L HN 0.600 nan 8.230 nan 0.000 0.423 296 I N 5.383 126.159 120.570 0.343 0.000 2.533 296 I HA 0.333 4.504 4.170 0.001 0.000 0.290 296 I C -0.754 175.567 176.117 0.339 0.000 1.056 296 I CA -1.020 60.458 61.300 0.296 0.000 1.057 296 I CB 2.225 40.370 38.000 0.243 0.000 1.240 296 I HN 0.244 nan 8.210 nan 0.000 0.423 297 V N 6.131 126.207 119.914 0.270 0.000 2.530 297 V HA 0.183 4.303 4.120 0.001 0.000 0.282 297 V C 1.009 177.153 176.094 0.083 0.000 1.048 297 V CA -0.190 62.203 62.300 0.155 0.000 0.997 297 V CB 1.469 33.374 31.823 0.138 0.000 0.987 297 V HN 0.576 nan 8.190 nan 0.000 0.477 298 I N 2.448 122.989 120.570 -0.049 0.000 2.899 298 I HA 0.235 4.406 4.170 0.001 0.000 0.257 298 I C 0.972 177.009 176.117 -0.134 0.000 1.115 298 I CA 0.938 62.204 61.300 -0.057 0.000 1.451 298 I CB -0.054 37.892 38.000 -0.091 0.000 1.251 298 I HN 1.016 nan 8.210 nan 0.000 0.456 299 E N 0.949 120.970 120.200 -0.297 0.000 2.402 299 E HA 0.517 4.868 4.350 0.001 0.000 0.270 299 E C -0.912 175.347 176.600 -0.569 0.000 1.131 299 E CA -0.897 55.100 56.400 -0.672 0.000 0.884 299 E CB 1.868 31.259 29.700 -0.514 0.000 1.564 299 E HN 0.022 nan 8.360 nan 0.000 0.456 300 M N 0.598 119.778 119.600 -0.700 0.000 2.413 300 M HA 0.580 5.061 4.480 0.001 0.000 0.287 300 M C -2.253 173.875 176.300 -0.287 0.000 1.186 300 M CA -0.465 54.628 55.300 -0.345 0.000 0.927 300 M CB 2.467 35.010 32.600 -0.094 0.000 1.715 300 M HN 0.378 nan 8.290 nan 0.000 0.478 301 N N 3.762 122.367 118.700 -0.157 0.000 2.524 301 N HA 0.412 5.153 4.740 0.001 0.000 0.261 301 N C -2.730 172.750 175.510 -0.051 0.000 0.998 301 N CA -1.150 51.836 53.050 -0.107 0.000 0.915 301 N CB 1.897 40.345 38.487 -0.065 0.000 1.187 301 N HN 0.564 nan 8.380 nan 0.000 0.507 302 P HA 0.063 nan 4.420 nan 0.000 0.231 302 P C -0.298 177.003 177.300 0.001 0.000 1.756 302 P CA 0.294 63.384 63.100 -0.017 0.000 0.990 302 P CB -0.191 31.496 31.700 -0.022 0.000 1.973 303 R N -1.426 119.087 120.500 0.020 0.000 3.067 303 R HA 0.395 4.736 4.340 0.001 0.000 0.276 303 R C -0.962 175.392 176.300 0.090 0.000 0.940 303 R CA -1.016 55.111 56.100 0.046 0.000 0.816 303 R CB -0.311 30.008 30.300 0.033 0.000 1.501 303 R HN -0.130 nan 8.270 nan 0.000 0.478 304 V N -0.253 119.746 119.914 0.142 0.000 3.083 304 V HA 0.803 4.924 4.120 0.001 0.000 0.306 304 V C 0.206 176.490 176.094 0.317 0.000 1.077 304 V CA 0.349 62.766 62.300 0.196 0.000 1.073 304 V CB 1.127 33.074 31.823 0.206 0.000 1.081 304 V HN 1.071 nan 8.190 nan 0.000 0.474 305 S N 1.660 117.506 115.700 0.244 0.000 2.727 305 S HA 0.441 4.911 4.470 0.001 0.000 0.278 305 S C 0.656 175.252 174.600 -0.007 0.000 1.186 305 S CA -0.481 57.860 58.200 0.234 0.000 0.836 305 S CB 1.493 64.783 63.200 0.150 0.000 1.186 305 S HN 1.103 nan 8.310 nan 0.000 0.499 306 R N 0.366 120.854 120.500 -0.020 0.000 2.148 306 R HA 0.068 4.408 4.340 0.001 0.000 0.227 306 R C 1.483 177.774 176.300 -0.015 0.000 1.103 306 R CA 1.813 57.864 56.100 -0.082 0.000 0.983 306 R CB -0.840 29.426 30.300 -0.057 0.000 0.874 306 R HN 0.417 nan 8.270 nan 0.000 0.451 307 S N 1.025 116.743 115.700 0.029 0.000 2.414 307 S HA -0.088 4.382 4.470 0.001 0.000 0.227 307 S C 1.992 176.624 174.600 0.052 0.000 1.022 307 S CA 1.136 59.359 58.200 0.040 0.000 0.958 307 S CB 0.075 63.302 63.200 0.045 0.000 0.797 307 S HN 0.654 nan 8.310 nan 0.000 0.493 308 S N 2.100 117.840 115.700 0.066 0.000 2.402 308 S HA 0.077 4.548 4.470 0.001 0.000 0.229 308 S C 1.994 176.677 174.600 0.138 0.000 1.021 308 S CA 0.831 59.089 58.200 0.096 0.000 0.974 308 S CB -0.424 62.840 63.200 0.106 0.000 0.800 308 S HN 0.449 nan 8.310 nan 0.000 0.484 309 A N 1.873 124.765 122.820 0.120 0.000 1.898 309 A HA 0.129 4.450 4.320 0.001 0.000 0.216 309 A C 2.224 179.825 177.584 0.028 0.000 1.181 309 A CA 1.464 53.585 52.037 0.141 0.000 0.620 309 A CB -0.917 18.094 19.000 0.018 0.000 0.819 309 A HN 0.547 nan 8.150 nan 0.000 0.442 310 L N -0.127 121.106 121.223 0.015 0.000 2.017 310 L HA -0.079 4.262 4.340 0.001 0.000 0.208 310 L C 2.662 179.554 176.870 0.037 0.000 1.073 310 L CA 2.283 57.128 54.840 0.009 0.000 0.745 310 L CB -0.750 41.318 42.059 0.016 0.000 0.894 310 L HN 0.336 nan 8.230 nan 0.000 0.432 311 A N -1.354 121.506 122.820 0.066 0.000 1.902 311 A HA -0.200 4.121 4.320 0.001 0.000 0.217 311 A C 2.369 180.034 177.584 0.134 0.000 1.181 311 A CA 2.063 54.149 52.037 0.082 0.000 0.623 311 A CB -1.012 18.029 19.000 0.069 0.000 0.818 311 A HN 0.555 nan 8.150 nan 0.000 0.443 312 S N -0.006 115.804 115.700 0.184 0.000 2.356 312 S HA -0.138 4.333 4.470 0.001 0.000 0.223 312 S C 2.005 176.764 174.600 0.267 0.000 1.032 312 S CA 1.451 59.822 58.200 0.285 0.000 1.005 312 S CB -0.193 63.235 63.200 0.380 0.000 0.867 312 S HN 0.509 nan 8.310 nan 0.000 0.449 313 K N 1.805 122.291 120.400 0.144 0.000 2.097 313 K HA 0.135 4.456 4.320 0.001 0.000 0.205 313 K C 2.325 178.986 176.600 0.102 0.000 1.050 313 K CA 1.147 57.506 56.287 0.119 0.000 0.938 313 K CB -0.775 31.684 32.500 -0.069 0.000 0.718 313 K HN 0.368 nan 8.250 nan 0.000 0.442 314 A N 1.273 124.123 122.820 0.049 0.000 1.933 314 A HA -0.135 4.186 4.320 0.001 0.000 0.218 314 A C 2.164 179.847 177.584 0.165 0.000 1.175 314 A CA 2.409 54.479 52.037 0.056 0.000 0.628 314 A CB -0.606 18.433 19.000 0.064 0.000 0.814 314 A HN 0.496 nan 8.150 nan 0.000 0.444 315 T N -5.896 108.777 114.554 0.198 0.000 2.990 315 T HA 0.436 4.787 4.350 0.001 0.000 0.250 315 T C 1.409 176.289 174.700 0.300 0.000 1.041 315 T CA 1.058 63.297 62.100 0.230 0.000 1.010 315 T CB 0.433 69.415 68.868 0.190 0.000 1.003 315 T HN 1.685 nan 8.240 nan 0.000 0.499 316 G N 1.345 110.378 108.800 0.388 0.000 2.157 316 G HA2 -0.227 3.733 3.960 0.001 0.000 0.248 316 G HA3 -0.227 3.733 3.960 0.001 0.000 0.248 316 G C -0.212 174.960 174.900 0.454 0.000 0.979 316 G CA 0.005 45.388 45.100 0.472 0.000 0.650 316 G HN 0.632 nan 8.290 nan 0.000 0.529 317 F N 3.504 123.621 119.950 0.278 0.000 2.350 317 F HA 0.592 5.120 4.527 0.001 0.000 0.365 317 F C -1.902 174.036 175.800 0.230 0.000 1.122 317 F CA -3.330 54.806 58.000 0.226 0.000 1.139 317 F CB 1.523 40.590 39.000 0.112 0.000 1.220 317 F HN -0.069 nan 8.300 nan 0.000 0.499 318 P HA 0.083 nan 4.420 nan 0.000 0.249 318 P C 1.371 178.796 177.300 0.208 0.000 1.737 318 P CA 0.400 63.618 63.100 0.196 0.000 1.128 318 P CB -0.177 31.572 31.700 0.081 0.000 1.942 319 I N 1.746 122.559 120.570 0.406 0.000 2.091 319 I HA -0.379 3.792 4.170 0.001 0.000 0.240 319 I C 2.295 178.519 176.117 0.179 0.000 1.046 319 I CA 2.204 63.721 61.300 0.363 0.000 1.306 319 I CB -0.919 37.239 38.000 0.264 0.000 1.018 319 I HN 0.193 nan 8.210 nan 0.000 0.404 320 A N 0.133 122.993 122.820 0.067 0.000 1.972 320 A HA -0.222 4.099 4.320 0.001 0.000 0.219 320 A C 2.329 179.899 177.584 -0.025 0.000 1.169 320 A CA 1.640 53.672 52.037 -0.009 0.000 0.635 320 A CB -0.456 18.479 19.000 -0.107 0.000 0.810 320 A HN 0.365 nan 8.150 nan 0.000 0.446 321 K N -0.548 119.825 120.400 -0.045 0.000 2.002 321 K HA -0.080 4.241 4.320 0.001 0.000 0.209 321 K C 1.916 178.502 176.600 -0.024 0.000 1.048 321 K CA 1.503 57.759 56.287 -0.053 0.000 0.930 321 K CB -0.349 32.113 32.500 -0.064 0.000 0.714 321 K HN 0.291 nan 8.250 nan 0.000 0.438 322 V N 1.208 121.124 119.914 0.002 0.000 2.332 322 V HA -0.270 3.851 4.120 0.001 0.000 0.248 322 V C 2.291 178.426 176.094 0.069 0.000 1.055 322 V CA 2.111 64.431 62.300 0.034 0.000 1.038 322 V CB -0.638 31.256 31.823 0.119 0.000 0.651 322 V HN 0.392 nan 8.190 nan 0.000 0.450 323 A N -0.238 122.632 122.820 0.083 0.000 1.969 323 A HA -0.017 4.304 4.320 0.001 0.000 0.218 323 A C 2.383 179.993 177.584 0.043 0.000 1.169 323 A CA 1.757 53.837 52.037 0.073 0.000 0.635 323 A CB -0.621 18.423 19.000 0.073 0.000 0.810 323 A HN 0.563 nan 8.150 nan 0.000 0.445 324 A N -0.097 122.734 122.820 0.019 0.000 1.969 324 A HA -0.119 4.202 4.320 0.001 0.000 0.218 324 A C 2.076 179.665 177.584 0.009 0.000 1.169 324 A CA 1.678 53.713 52.037 -0.003 0.000 0.635 324 A CB -0.328 18.660 19.000 -0.021 0.000 0.810 324 A HN 0.541 nan 8.150 nan 0.000 0.445 325 K N -0.876 119.544 120.400 0.033 0.000 2.155 325 K HA 0.020 4.341 4.320 0.001 0.000 0.203 325 K C 1.498 178.216 176.600 0.196 0.000 1.052 325 K CA 0.785 57.132 56.287 0.100 0.000 0.948 325 K CB -0.210 32.260 32.500 -0.051 0.000 0.728 325 K HN 0.283 nan 8.250 nan 0.000 0.448 326 L N 0.830 122.129 121.223 0.127 0.000 2.201 326 L HA -0.070 4.271 4.340 0.001 0.000 0.212 326 L C 2.273 179.190 176.870 0.079 0.000 1.105 326 L CA 1.370 56.285 54.840 0.125 0.000 0.775 326 L CB -0.905 41.212 42.059 0.097 0.000 0.913 326 L HN 0.112 nan 8.230 nan 0.000 0.440 327 A N -0.385 122.463 122.820 0.047 0.000 1.972 327 A HA -0.119 4.202 4.320 0.001 0.000 0.219 327 A C 1.675 179.244 177.584 -0.026 0.000 1.169 327 A CA 1.670 53.708 52.037 0.002 0.000 0.635 327 A CB -0.773 18.212 19.000 -0.024 0.000 0.810 327 A HN 0.295 nan 8.150 nan 0.000 0.446 328 V N -3.918 115.988 119.914 -0.013 0.000 3.063 328 V HA 0.606 4.727 4.120 0.001 0.000 0.379 328 V C 1.098 177.188 176.094 -0.007 0.000 1.310 328 V CA 0.331 62.599 62.300 -0.054 0.000 1.333 328 V CB -1.034 30.664 31.823 -0.208 0.000 1.331 328 V HN 1.368 nan 8.190 nan 0.000 0.527 329 G N -0.464 108.338 108.800 0.003 0.000 2.234 329 G HA2 -0.332 3.629 3.960 0.001 0.000 0.260 329 G HA3 -0.332 3.629 3.960 0.001 0.000 0.260 329 G C -0.011 174.863 174.900 -0.043 0.000 0.987 329 G CA 0.419 45.496 45.100 -0.038 0.000 0.625 329 G HN 0.618 nan 8.290 nan 0.000 0.532 330 Y N 1.834 122.159 120.300 0.042 0.000 2.385 330 Y HA 0.440 4.990 4.550 0.001 0.000 0.346 330 Y C 1.531 177.458 175.900 0.045 0.000 1.270 330 Y CA 0.975 59.104 58.100 0.047 0.000 1.472 330 Y CB 0.716 39.207 38.460 0.051 0.000 1.354 330 Y HN 0.313 nan 8.280 nan 0.000 0.611 331 T N -1.567 113.132 114.554 0.242 0.000 2.908 331 T HA 0.380 4.731 4.350 0.001 0.000 0.290 331 T C 0.737 175.532 174.700 0.157 0.000 1.034 331 T CA -0.924 61.270 62.100 0.156 0.000 1.010 331 T CB 1.034 69.966 68.868 0.107 0.000 1.068 331 T HN 0.626 nan 8.240 nan 0.000 0.481 332 L N 1.020 122.324 121.223 0.135 0.000 2.051 332 L HA -0.159 4.182 4.340 0.001 0.000 0.214 332 L C 2.555 179.503 176.870 0.130 0.000 1.076 332 L CA 1.996 56.921 54.840 0.142 0.000 0.758 332 L CB -0.683 41.467 42.059 0.150 0.000 0.890 332 L HN 0.827 nan 8.230 nan 0.000 0.433 333 D N -0.267 120.201 120.400 0.113 0.000 2.219 333 D HA -0.209 4.432 4.640 0.001 0.000 0.205 333 D C 1.610 177.960 176.300 0.084 0.000 0.970 333 D CA 1.159 55.215 54.000 0.094 0.000 0.851 333 D CB -0.375 40.472 40.800 0.079 0.000 0.943 333 D HN 0.472 nan 8.370 nan 0.000 0.488 334 E N -0.068 120.197 120.200 0.108 0.000 2.285 334 E HA 0.097 4.448 4.350 0.001 0.000 0.194 334 E C 0.518 177.162 176.600 0.073 0.000 0.997 334 E CA 0.060 56.532 56.400 0.120 0.000 0.845 334 E CB 0.182 30.013 29.700 0.220 0.000 0.782 334 E HN 0.336 nan 8.360 nan 0.000 0.491 335 L N 1.243 122.493 121.223 0.045 0.000 2.357 335 L HA 0.246 4.587 4.340 0.001 0.000 0.273 335 L C 0.231 177.088 176.870 -0.023 0.000 1.080 335 L CA -0.791 54.030 54.840 -0.032 0.000 0.803 335 L CB 0.592 42.615 42.059 -0.061 0.000 1.174 335 L HN -0.012 nan 8.230 nan 0.000 0.443 336 M N 1.931 121.497 119.600 -0.057 0.000 2.288 336 M HA 0.169 4.650 4.480 0.001 0.000 0.334 336 M C -0.143 176.111 176.300 -0.076 0.000 1.150 336 M CA -0.646 54.616 55.300 -0.063 0.000 1.118 336 M CB 0.608 33.169 32.600 -0.065 0.000 1.501 336 M HN 0.427 nan 8.290 nan 0.000 0.462 337 N N 1.894 120.537 118.700 -0.095 0.000 2.402 337 N HA 0.015 4.755 4.740 0.001 0.000 0.252 337 N C 0.532 175.987 175.510 -0.092 0.000 1.118 337 N CA 0.256 53.253 53.050 -0.088 0.000 0.945 337 N CB 0.323 38.752 38.487 -0.097 0.000 1.147 337 N HN 0.440 nan 8.380 nan 0.000 0.495 338 D N 2.889 123.240 120.400 -0.083 0.000 2.355 338 D HA -0.282 4.359 4.640 0.001 0.000 0.192 338 D C 1.615 177.861 176.300 -0.090 0.000 1.014 338 D CA 2.313 56.289 54.000 -0.040 0.000 0.862 338 D CB -0.111 40.731 40.800 0.070 0.000 0.986 338 D HN 0.792 nan 8.370 nan 0.000 0.456 339 I N -1.765 118.718 120.570 -0.144 0.000 2.928 339 I HA -0.007 4.164 4.170 0.001 0.000 0.266 339 I C 1.148 177.208 176.117 -0.095 0.000 1.234 339 I CA 1.125 62.308 61.300 -0.194 0.000 1.483 339 I CB -0.521 37.311 38.000 -0.280 0.000 1.097 339 I HN -0.078 nan 8.210 nan 0.000 0.455 340 T N -0.713 113.795 114.554 -0.077 0.000 3.406 340 T HA 0.431 4.782 4.350 0.001 0.000 0.244 340 T C 1.257 175.920 174.700 -0.063 0.000 0.949 340 T CA 0.031 62.094 62.100 -0.063 0.000 0.926 340 T CB -0.778 68.012 68.868 -0.131 0.000 1.089 340 T HN 0.663 nan 8.240 nan 0.000 0.604 341 G N 0.916 109.684 108.800 -0.053 0.000 2.393 341 G HA2 0.009 3.969 3.960 0.001 0.000 0.299 341 G HA3 0.009 3.969 3.960 0.001 0.000 0.299 341 G C 1.212 176.083 174.900 -0.048 0.000 0.990 341 G CA 0.049 45.126 45.100 -0.039 0.000 1.118 341 G HN 1.702 nan 8.290 nan 0.000 0.513 342 G N 0.254 109.016 108.800 -0.064 0.000 2.249 342 G HA2 -0.446 3.514 3.960 0.001 0.000 0.273 342 G HA3 -0.446 3.514 3.960 0.001 0.000 0.273 342 G C 1.555 176.401 174.900 -0.089 0.000 0.995 342 G CA 1.651 46.709 45.100 -0.071 0.000 0.671 342 G HN 1.730 nan 8.290 nan 0.000 0.539 343 R N 0.490 120.929 120.500 -0.101 0.000 2.193 343 R HA -0.000 4.341 4.340 0.001 0.000 0.229 343 R C 1.099 177.277 176.300 -0.203 0.000 1.110 343 R CA 1.906 57.938 56.100 -0.112 0.000 0.988 343 R CB -0.520 29.744 30.300 -0.060 0.000 0.871 343 R HN 0.814 nan 8.270 nan 0.000 0.458 344 T N -1.498 112.877 114.554 -0.298 0.000 2.916 344 T HA 0.577 4.928 4.350 0.001 0.000 0.292 344 T C -2.902 171.641 174.700 -0.261 0.000 1.055 344 T CA -2.505 59.356 62.100 -0.398 0.000 1.009 344 T CB 2.839 71.232 68.868 -0.792 0.000 1.118 344 T HN -0.061 nan 8.240 nan 0.000 0.497 345 P HA 0.360 nan 4.420 nan 0.000 0.276 345 P C 0.447 177.800 177.300 0.089 0.000 1.261 345 P CA -0.542 62.537 63.100 -0.035 0.000 0.800 345 P CB 0.594 32.309 31.700 0.024 0.000 1.066 346 A N 0.864 123.779 122.820 0.158 0.000 2.206 346 A HA -0.004 4.317 4.320 0.001 0.000 0.211 346 A C 1.179 179.069 177.584 0.509 0.000 1.158 346 A CA 0.676 52.908 52.037 0.324 0.000 0.761 346 A CB -1.299 17.774 19.000 0.121 0.000 0.801 346 A HN 0.580 nan 8.150 nan 0.000 0.473 347 S N 0.623 116.548 115.700 0.376 0.000 3.919 347 S HA 0.539 5.010 4.470 0.001 0.000 0.245 347 S C -0.288 174.555 174.600 0.406 0.000 1.344 347 S CA -0.503 57.878 58.200 0.303 0.000 0.896 347 S CB -1.385 61.923 63.200 0.181 0.000 1.557 347 S HN 0.811 nan 8.310 nan 0.000 0.468 348 F N -1.698 118.324 119.950 0.120 0.000 2.858 348 F HA 0.638 5.166 4.527 0.001 0.000 0.319 348 F C -1.365 174.477 175.800 0.069 0.000 1.166 348 F CA -1.292 56.756 58.000 0.081 0.000 0.899 348 F CB 0.812 39.850 39.000 0.063 0.000 1.332 348 F HN 0.129 nan 8.300 nan 0.000 0.461 349 E N 2.272 122.327 120.200 -0.242 0.000 2.133 349 E HA 0.397 4.748 4.350 0.001 0.000 0.274 349 E C -2.621 173.826 176.600 -0.256 0.000 0.930 349 E CA -1.953 54.243 56.400 -0.340 0.000 0.770 349 E CB 1.727 31.366 29.700 -0.101 0.000 1.104 349 E HN 0.282 nan 8.360 nan 0.000 0.403 350 P HA 0.002 nan 4.420 nan 0.000 0.270 350 P C -0.760 176.564 177.300 0.040 0.000 1.223 350 P CA -0.107 62.984 63.100 -0.014 0.000 0.785 350 P CB 0.750 32.444 31.700 -0.010 0.000 0.923 351 S N 1.144 116.910 115.700 0.109 0.000 2.571 351 S HA 0.729 5.200 4.470 0.001 0.000 0.284 351 S C -0.699 173.873 174.600 -0.047 0.000 1.128 351 S CA -0.772 57.438 58.200 0.016 0.000 0.970 351 S CB 0.034 63.255 63.200 0.035 0.000 1.039 351 S HN 0.344 nan 8.310 nan 0.000 0.485 352 I N 1.377 121.832 120.570 -0.192 0.000 2.646 352 I HA 0.684 4.855 4.170 0.001 0.000 0.299 352 I C -0.890 174.947 176.117 -0.467 0.000 1.036 352 I CA -0.987 60.036 61.300 -0.462 0.000 1.074 352 I CB 2.219 39.714 38.000 -0.842 0.000 1.258 352 I HN 0.511 nan 8.210 nan 0.000 0.430 353 D N 4.199 124.314 120.400 -0.474 0.000 3.035 353 D HA 0.304 4.945 4.640 0.001 0.000 0.290 353 D C -0.607 175.672 176.300 -0.035 0.000 1.360 353 D CA -0.181 53.722 54.000 -0.162 0.000 0.862 353 D CB -0.327 40.489 40.800 0.026 0.000 1.078 353 D HN 0.732 nan 8.370 nan 0.000 0.487 354 Y N -3.541 116.763 120.300 0.006 0.000 2.871 354 Y HA 0.679 5.230 4.550 0.001 0.000 0.331 354 Y C -1.623 174.250 175.900 -0.044 0.000 1.378 354 Y CA -1.706 56.373 58.100 -0.036 0.000 1.079 354 Y CB 0.779 39.115 38.460 -0.207 0.000 1.441 354 Y HN -0.207 nan 8.280 nan 0.000 0.446 355 V N 1.842 121.891 119.914 0.225 0.000 2.588 355 V HA 0.615 4.736 4.120 0.001 0.000 0.304 355 V C -0.885 175.300 176.094 0.150 0.000 1.042 355 V CA -0.840 61.560 62.300 0.168 0.000 0.877 355 V CB 1.638 33.571 31.823 0.184 0.000 0.996 355 V HN 0.654 nan 8.190 nan 0.000 0.425 356 V N 3.589 123.583 119.914 0.134 0.000 2.435 356 V HA 0.602 4.723 4.120 0.001 0.000 0.290 356 V C 0.113 176.250 176.094 0.072 0.000 1.030 356 V CA -0.227 62.113 62.300 0.067 0.000 0.881 356 V CB 2.063 33.917 31.823 0.052 0.000 0.983 356 V HN 0.971 nan 8.190 nan 0.000 0.445 357 T N 5.183 119.760 114.554 0.039 0.000 2.824 357 T HA 0.451 4.801 4.350 0.001 0.000 0.282 357 T C -0.572 174.132 174.700 0.008 0.000 0.993 357 T CA -0.694 61.424 62.100 0.029 0.000 0.967 357 T CB 1.508 70.385 68.868 0.014 0.000 0.960 357 T HN 0.661 nan 8.240 nan 0.000 0.441 358 K N 4.048 124.447 120.400 -0.003 0.000 2.270 358 K HA 0.613 4.934 4.320 0.001 0.000 0.255 358 K C -1.452 175.127 176.600 -0.035 0.000 0.936 358 K CA -0.721 55.565 56.287 -0.002 0.000 0.809 358 K CB 1.244 33.751 32.500 0.012 0.000 1.131 358 K HN 0.622 nan 8.250 nan 0.000 0.427 359 I N 5.348 125.900 120.570 -0.030 0.000 2.498 359 I HA 0.333 4.503 4.170 0.001 0.000 0.290 359 I C -2.300 173.804 176.117 -0.020 0.000 1.032 359 I CA -2.670 58.604 61.300 -0.043 0.000 1.073 359 I CB 2.245 40.203 38.000 -0.071 0.000 1.251 359 I HN 0.464 nan 8.210 nan 0.000 0.426 360 P HA 0.229 nan 4.420 nan 0.000 0.274 360 P C -0.953 176.234 177.300 -0.188 0.000 1.231 360 P CA -0.562 62.443 63.100 -0.158 0.000 0.790 360 P CB 0.855 32.394 31.700 -0.269 0.000 0.951 361 R N 1.867 122.156 120.500 -0.351 0.000 2.387 361 R HA 0.608 4.948 4.340 0.001 0.000 0.314 361 R C -1.245 174.768 176.300 -0.478 0.000 0.958 361 R CA -0.534 55.434 56.100 -0.219 0.000 0.846 361 R CB -0.239 29.996 30.300 -0.109 0.000 1.147 361 R HN 0.301 nan 8.270 nan 0.000 0.447 362 F N 1.568 121.522 119.950 0.007 0.000 2.594 362 F HA 0.462 4.990 4.527 0.001 0.000 0.335 362 F C 0.851 176.595 175.800 -0.094 0.000 1.058 362 F CA -0.705 57.230 58.000 -0.109 0.000 0.981 362 F CB 1.970 40.899 39.000 -0.118 0.000 1.289 362 F HN 0.546 nan 8.300 nan 0.000 0.490 363 N N -0.070 118.637 118.700 0.012 0.000 2.466 363 N HA 0.194 4.935 4.740 0.001 0.000 0.272 363 N C 0.484 176.037 175.510 0.071 0.000 1.455 363 N CA -0.014 53.063 53.050 0.045 0.000 0.875 363 N CB 0.200 38.734 38.487 0.078 0.000 1.372 363 N HN 0.383 nan 8.380 nan 0.000 0.492 364 F N 1.925 121.989 119.950 0.190 0.000 2.192 364 F HA -0.232 4.296 4.527 0.001 0.000 0.301 364 F C 2.710 178.511 175.800 0.002 0.000 1.079 364 F CA 1.117 59.175 58.000 0.096 0.000 1.303 364 F CB -0.059 38.973 39.000 0.053 0.000 1.024 364 F HN 0.313 nan 8.300 nan 0.000 0.494 365 E N 1.146 121.431 120.200 0.142 0.000 2.463 365 E HA -0.203 4.148 4.350 0.001 0.000 0.201 365 E C 1.224 177.746 176.600 -0.129 0.000 1.045 365 E CA 1.077 57.485 56.400 0.014 0.000 0.872 365 E CB -0.651 29.047 29.700 -0.005 0.000 0.797 365 E HN 0.411 nan 8.360 nan 0.000 0.538 366 K N -0.210 120.002 120.400 -0.312 0.000 2.404 366 K HA 0.156 4.477 4.320 0.001 0.000 0.194 366 K C -0.458 175.491 176.600 -1.085 0.000 1.023 366 K CA -0.035 55.829 56.287 -0.704 0.000 1.094 366 K CB 0.281 32.215 32.500 -0.944 0.000 0.841 366 K HN 0.003 nan 8.250 nan 0.000 0.523 367 F N 1.090 120.981 119.950 -0.098 0.000 2.434 367 F HA 0.340 4.868 4.527 0.001 0.000 0.367 367 F C -0.068 175.698 175.800 -0.058 0.000 1.093 367 F CA -1.375 56.547 58.000 -0.130 0.000 1.085 367 F CB 1.100 39.820 39.000 -0.467 0.000 1.322 367 F HN -0.182 nan 8.300 nan 0.000 0.452 368 A N 1.801 124.678 122.820 0.095 0.000 2.396 368 A HA 0.556 4.877 4.320 0.001 0.000 0.279 368 A C 1.188 178.827 177.584 0.093 0.000 1.165 368 A CA 0.646 52.722 52.037 0.066 0.000 0.824 368 A CB -0.338 18.680 19.000 0.031 0.000 1.100 368 A HN 1.429 nan 8.150 nan 0.000 0.516 369 G N 1.267 110.107 108.800 0.067 0.000 2.238 369 G HA2 0.161 4.122 3.960 0.001 0.000 0.217 369 G HA3 0.161 4.122 3.960 0.001 0.000 0.217 369 G C 0.625 175.572 174.900 0.077 0.000 0.996 369 G CA 0.083 45.219 45.100 0.060 0.000 0.632 369 G HN 2.081 nan 8.290 nan 0.000 0.503 370 A N 0.489 123.373 122.820 0.106 0.000 2.511 370 A HA 0.492 4.813 4.320 0.001 0.000 0.242 370 A C 0.681 178.311 177.584 0.076 0.000 1.069 370 A CA 0.500 52.617 52.037 0.133 0.000 0.763 370 A CB 0.193 19.242 19.000 0.082 0.000 1.001 370 A HN 0.713 nan 8.150 nan 0.000 0.498 371 N N 1.599 120.367 118.700 0.114 0.000 2.452 371 N HA 0.001 4.742 4.740 0.001 0.000 0.266 371 N C -0.315 175.168 175.510 -0.046 0.000 1.175 371 N CA 0.190 53.260 53.050 0.032 0.000 0.945 371 N CB 0.866 39.395 38.487 0.070 0.000 1.063 371 N HN 0.625 nan 8.380 nan 0.000 0.472 372 D N 2.238 122.445 120.400 -0.321 0.000 2.388 372 D HA 0.071 4.712 4.640 0.001 0.000 0.221 372 D C -0.110 175.774 176.300 -0.694 0.000 1.133 372 D CA -0.143 53.295 54.000 -0.937 0.000 0.831 372 D CB 0.195 40.319 40.800 -1.128 0.000 0.962 372 D HN 0.186 nan 8.370 nan 0.000 0.502 373 R N 0.674 121.010 120.500 -0.274 0.000 2.459 373 R HA 0.402 4.743 4.340 0.001 0.000 0.281 373 R C 0.279 176.577 176.300 -0.003 0.000 1.050 373 R CA -0.678 55.336 56.100 -0.144 0.000 1.055 373 R CB 1.108 31.359 30.300 -0.080 0.000 1.045 373 R HN 0.192 nan 8.270 nan 0.000 0.495 374 L N 1.237 122.479 121.223 0.031 0.000 2.380 374 L HA 0.275 4.616 4.340 0.001 0.000 0.273 374 L C 1.206 178.158 176.870 0.136 0.000 1.138 374 L CA 0.197 55.116 54.840 0.132 0.000 0.832 374 L CB 0.977 43.110 42.059 0.124 0.000 1.124 374 L HN 0.662 nan 8.230 nan 0.000 0.454 375 T N -0.973 113.681 114.554 0.166 0.000 2.584 375 T HA 0.166 4.517 4.350 0.001 0.000 0.273 375 T C 1.008 175.798 174.700 0.150 0.000 0.978 375 T CA 0.439 62.625 62.100 0.143 0.000 1.159 375 T CB 1.065 70.010 68.868 0.129 0.000 1.556 375 T HN 0.716 nan 8.240 nan 0.000 0.472 376 T N -0.548 114.077 114.554 0.119 0.000 3.067 376 T HA 0.172 4.522 4.350 0.001 0.000 0.261 376 T C 0.819 175.609 174.700 0.149 0.000 1.110 376 T CA 0.456 62.640 62.100 0.140 0.000 1.113 376 T CB -0.144 68.774 68.868 0.084 0.000 0.917 376 T HN 0.517 nan 8.240 nan 0.000 0.499 377 Q N 1.177 121.019 119.800 0.069 0.000 2.274 377 Q HA 0.356 4.697 4.340 0.001 0.000 0.256 377 Q C -0.478 175.489 176.000 -0.056 0.000 0.927 377 Q CA -0.466 55.323 55.803 -0.023 0.000 0.939 377 Q CB 0.794 29.504 28.738 -0.047 0.000 1.201 377 Q HN 0.426 nan 8.270 nan 0.000 0.426 378 M N 3.681 123.146 119.600 -0.225 0.000 2.250 378 M HA -0.063 4.418 4.480 0.001 0.000 0.337 378 M C 0.509 176.755 176.300 -0.091 0.000 1.161 378 M CA 1.334 56.523 55.300 -0.184 0.000 1.088 378 M CB 0.441 32.841 32.600 -0.333 0.000 1.639 378 M HN 0.594 nan 8.290 nan 0.000 0.447 379 K N 0.126 120.565 120.400 0.065 0.000 2.517 379 K HA 0.112 4.433 4.320 0.001 0.000 0.210 379 K C 0.080 176.707 176.600 0.044 0.000 1.166 379 K CA -0.107 56.241 56.287 0.103 0.000 1.030 379 K CB 0.826 33.589 32.500 0.438 0.000 0.974 379 K HN 0.770 nan 8.250 nan 0.000 0.585 380 S N 0.359 115.976 115.700 -0.138 0.000 2.592 380 S HA 0.120 4.590 4.470 0.001 0.000 0.271 380 S C 1.141 175.561 174.600 -0.299 0.000 1.326 380 S CA -0.705 57.169 58.200 -0.543 0.000 1.024 380 S CB 1.515 64.098 63.200 -1.028 0.000 0.921 380 S HN 0.038 nan 8.310 nan 0.000 0.527 381 V N -1.418 118.327 119.914 -0.281 0.000 3.578 381 V HA 0.665 4.786 4.120 0.001 0.000 0.290 381 V C 0.812 176.826 176.094 -0.133 0.000 1.376 381 V CA 0.571 62.785 62.300 -0.144 0.000 1.083 381 V CB -0.860 30.923 31.823 -0.066 0.000 0.911 381 V HN 1.224 nan 8.190 nan 0.000 0.433 382 G N 0.427 109.116 108.800 -0.186 0.000 2.427 382 G HA2 0.609 4.570 3.960 0.001 0.000 0.306 382 G HA3 0.609 4.570 3.960 0.001 0.000 0.306 382 G C -1.736 173.077 174.900 -0.145 0.000 1.280 382 G CA -0.026 44.997 45.100 -0.129 0.000 0.837 382 G HN 0.672 nan 8.290 nan 0.000 0.482 383 E N -2.046 118.102 120.200 -0.087 0.000 2.401 383 E HA 0.592 4.942 4.350 0.001 0.000 0.280 383 E C -2.002 174.588 176.600 -0.017 0.000 1.039 383 E CA -0.946 55.416 56.400 -0.064 0.000 0.814 383 E CB 2.232 31.901 29.700 -0.052 0.000 1.275 383 E HN 0.961 nan 8.360 nan 0.000 0.448 384 V N 1.920 121.838 119.914 0.006 0.000 2.864 384 V HA 0.747 4.868 4.120 0.001 0.000 0.314 384 V C -0.990 175.156 176.094 0.087 0.000 1.073 384 V CA -0.743 61.584 62.300 0.046 0.000 0.956 384 V CB 1.950 33.795 31.823 0.037 0.000 1.023 384 V HN 0.836 nan 8.190 nan 0.000 0.435 385 M N 4.860 124.577 119.600 0.195 0.000 2.591 385 M HA 0.894 5.375 4.480 0.001 0.000 0.306 385 M C -1.186 175.288 176.300 0.290 0.000 1.190 385 M CA -0.482 54.946 55.300 0.213 0.000 0.889 385 M CB 2.123 34.855 32.600 0.220 0.000 1.728 385 M HN 0.893 nan 8.290 nan 0.000 0.458 386 A N 3.689 126.592 122.820 0.139 0.000 2.539 386 A HA 0.833 5.154 4.320 0.001 0.000 0.296 386 A C -1.660 175.915 177.584 -0.015 0.000 1.073 386 A CA -0.762 51.352 52.037 0.128 0.000 0.700 386 A CB 1.521 20.579 19.000 0.097 0.000 1.296 386 A HN 0.848 nan 8.150 nan 0.000 0.405 387 I N 1.136 121.664 120.570 -0.070 0.000 2.406 387 I HA 0.674 4.845 4.170 0.001 0.000 0.290 387 I C 0.484 176.471 176.117 -0.218 0.000 0.999 387 I CA -0.500 60.602 61.300 -0.330 0.000 1.124 387 I CB 2.149 39.639 38.000 -0.850 0.000 1.289 387 I HN 0.801 nan 8.210 nan 0.000 0.441 388 G N 4.150 112.857 108.800 -0.156 0.000 2.690 388 G HA2 0.380 4.341 3.960 0.001 0.000 0.291 388 G HA3 0.380 4.341 3.960 0.001 0.000 0.291 388 G C 0.109 175.070 174.900 0.102 0.000 1.403 388 G CA -0.526 44.596 45.100 0.037 0.000 0.864 388 G HN 0.453 nan 8.290 nan 0.000 0.480 389 R N -0.786 119.836 120.500 0.204 0.000 2.189 389 R HA 0.043 4.383 4.340 0.001 0.000 0.218 389 R C 1.064 177.465 176.300 0.168 0.000 1.074 389 R CA 1.325 57.558 56.100 0.222 0.000 0.991 389 R CB -0.184 30.253 30.300 0.229 0.000 0.883 389 R HN 0.705 nan 8.270 nan 0.000 0.457 390 T N -3.691 110.950 114.554 0.146 0.000 2.916 390 T HA 0.210 4.561 4.350 0.001 0.000 0.292 390 T C 0.734 175.518 174.700 0.140 0.000 1.064 390 T CA -0.887 61.294 62.100 0.135 0.000 1.011 390 T CB 2.340 71.269 68.868 0.101 0.000 1.152 390 T HN -0.177 nan 8.240 nan 0.000 0.510 391 Q N 0.610 120.513 119.800 0.171 0.000 2.084 391 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 391 Q C 2.180 178.257 176.000 0.127 0.000 0.978 391 Q CA 2.001 57.929 55.803 0.208 0.000 0.844 391 Q CB -0.495 28.425 28.738 0.304 0.000 0.898 391 Q HN 0.801 nan 8.270 nan 0.000 0.426 392 Q N -0.034 119.805 119.800 0.064 0.000 2.030 392 Q HA -0.245 4.096 4.340 0.001 0.000 0.204 392 Q C 2.075 178.081 176.000 0.011 0.000 0.986 392 Q CA 1.872 57.688 55.803 0.022 0.000 0.843 392 Q CB -0.203 28.523 28.738 -0.021 0.000 0.904 392 Q HN 0.611 nan 8.270 nan 0.000 0.420 393 E N -0.237 119.985 120.200 0.036 0.000 2.077 393 E HA -0.212 4.139 4.350 0.001 0.000 0.193 393 E C 2.068 178.698 176.600 0.050 0.000 0.989 393 E CA 1.279 57.708 56.400 0.048 0.000 0.800 393 E CB -0.106 29.655 29.700 0.102 0.000 0.746 393 E HN 0.158 nan 8.360 nan 0.000 0.452 394 S N -0.028 115.712 115.700 0.066 0.000 2.353 394 S HA -0.189 4.281 4.470 0.001 0.000 0.222 394 S C 1.974 176.588 174.600 0.023 0.000 1.035 394 S CA 1.364 59.597 58.200 0.055 0.000 1.025 394 S CB -0.411 62.839 63.200 0.083 0.000 0.902 394 S HN 0.376 nan 8.310 nan 0.000 0.440 395 L N 1.777 123.010 121.223 0.018 0.000 2.017 395 L HA -0.071 4.270 4.340 0.001 0.000 0.208 395 L C 2.467 179.263 176.870 -0.124 0.000 1.073 395 L CA 1.938 56.747 54.840 -0.051 0.000 0.745 395 L CB -0.819 41.237 42.059 -0.004 0.000 0.894 395 L HN 0.379 nan 8.230 nan 0.000 0.432 396 Q N -0.565 119.176 119.800 -0.099 0.000 2.167 396 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 396 Q C 2.154 178.103 176.000 -0.085 0.000 0.970 396 Q CA 1.500 57.212 55.803 -0.151 0.000 0.855 396 Q CB -0.083 28.557 28.738 -0.164 0.000 0.911 396 Q HN 0.582 nan 8.270 nan 0.000 0.438 397 K N 0.298 120.684 120.400 -0.023 0.000 2.155 397 K HA -0.048 4.273 4.320 0.001 0.000 0.203 397 K C 2.047 178.657 176.600 0.016 0.000 1.052 397 K CA 0.887 57.189 56.287 0.025 0.000 0.948 397 K CB -0.028 32.516 32.500 0.073 0.000 0.728 397 K HN 0.095 nan 8.250 nan 0.000 0.448 398 A N 1.577 124.387 122.820 -0.015 0.000 1.898 398 A HA -0.113 4.207 4.320 0.001 0.000 0.216 398 A C 2.109 179.669 177.584 -0.040 0.000 1.181 398 A CA 1.081 53.108 52.037 -0.017 0.000 0.620 398 A CB -0.592 18.376 19.000 -0.054 0.000 0.819 398 A HN 0.126 nan 8.150 nan 0.000 0.442 399 L N -0.279 120.877 121.223 -0.112 0.000 1.989 399 L HA -0.265 4.076 4.340 0.001 0.000 0.211 399 L C 2.842 179.723 176.870 0.017 0.000 1.071 399 L CA 2.150 56.928 54.840 -0.103 0.000 0.749 399 L CB -0.531 41.352 42.059 -0.294 0.000 0.890 399 L HN 0.618 nan 8.230 nan 0.000 0.431 400 R N 0.130 120.632 120.500 0.002 0.000 2.237 400 R HA -0.042 4.299 4.340 0.001 0.000 0.219 400 R C 1.812 178.135 176.300 0.038 0.000 1.080 400 R CA 1.215 57.335 56.100 0.034 0.000 0.995 400 R CB -0.623 29.699 30.300 0.036 0.000 0.875 400 R HN 0.264 nan 8.270 nan 0.000 0.462 401 G N 0.629 109.450 108.800 0.034 0.000 2.939 401 G HA2 -0.042 3.918 3.960 0.001 0.000 0.210 401 G HA3 -0.042 3.918 3.960 0.001 0.000 0.210 401 G C 1.046 175.964 174.900 0.030 0.000 1.160 401 G CA -0.337 44.783 45.100 0.032 0.000 0.770 401 G HN 0.216 nan 8.290 nan 0.000 0.543 402 L N 0.388 121.641 121.223 0.049 0.000 2.456 402 L HA 0.098 4.439 4.340 0.001 0.000 0.224 402 L C 1.058 177.957 176.870 0.047 0.000 1.148 402 L CA 0.858 55.737 54.840 0.065 0.000 0.825 402 L CB -0.166 41.972 42.059 0.131 0.000 0.937 402 L HN 0.193 nan 8.230 nan 0.000 0.450 403 E N -1.146 119.071 120.200 0.029 0.000 2.637 403 E HA -0.185 4.166 4.350 0.001 0.000 0.265 403 E C 0.780 177.381 176.600 0.002 0.000 1.073 403 E CA 0.966 57.369 56.400 0.004 0.000 0.778 403 E CB -2.232 27.460 29.700 -0.013 0.000 1.362 403 E HN 0.472 nan 8.360 nan 0.000 0.413 404 V N -4.193 115.728 119.914 0.012 0.000 3.276 404 V HA 0.620 4.741 4.120 0.001 0.000 0.319 404 V C 1.331 177.381 176.094 -0.074 0.000 1.427 404 V CA 0.995 63.280 62.300 -0.024 0.000 1.102 404 V CB 0.660 32.478 31.823 -0.009 0.000 1.020 404 V HN 0.570 nan 8.190 nan 0.000 0.456 405 G N 0.174 108.947 108.800 -0.046 0.000 2.176 405 G HA2 -0.100 3.861 3.960 0.001 0.000 0.253 405 G HA3 -0.100 3.861 3.960 0.001 0.000 0.253 405 G C 0.485 175.352 174.900 -0.055 0.000 0.979 405 G CA 0.241 45.307 45.100 -0.056 0.000 0.641 405 G HN 1.687 nan 8.290 nan 0.000 0.530 406 A N -0.050 122.747 122.820 -0.039 0.000 2.332 406 A HA 0.759 5.080 4.320 0.001 0.000 0.258 406 A C 1.403 179.024 177.584 0.062 0.000 1.087 406 A CA 1.310 53.357 52.037 0.017 0.000 0.802 406 A CB 0.530 19.631 19.000 0.169 0.000 1.042 406 A HN 1.492 nan 8.150 nan 0.000 0.489 407 T N -2.174 112.432 114.554 0.086 0.000 3.043 407 T HA 0.554 4.904 4.350 0.001 0.000 0.272 407 T C 0.776 175.533 174.700 0.096 0.000 0.990 407 T CA 0.900 63.049 62.100 0.082 0.000 0.897 407 T CB -0.157 68.759 68.868 0.080 0.000 1.111 407 T HN 2.288 nan 8.240 nan 0.000 0.529 408 G N 1.494 110.356 108.800 0.104 0.000 2.384 408 G HA2 0.185 4.146 3.960 0.001 0.000 0.113 408 G HA3 0.185 4.146 3.960 0.001 0.000 0.113 408 G C -1.221 173.726 174.900 0.079 0.000 1.224 408 G CA -0.795 44.307 45.100 0.003 0.000 1.126 408 G HN 0.141 nan 8.290 nan 0.000 0.461 409 F N 3.692 123.759 119.950 0.195 0.000 2.783 409 F HA 0.260 4.787 4.527 0.001 0.000 0.338 409 F C 0.700 176.686 175.800 0.310 0.000 1.178 409 F CA -0.377 57.775 58.000 0.254 0.000 1.343 409 F CB -0.258 38.819 39.000 0.127 0.000 1.496 409 F HN 0.074 nan 8.300 nan 0.000 0.583 410 D N 3.483 124.133 120.400 0.417 0.000 2.472 410 D HA 0.008 4.649 4.640 0.001 0.000 0.237 410 D C -2.012 174.398 176.300 0.184 0.000 1.141 410 D CA -0.732 53.396 54.000 0.213 0.000 0.875 410 D CB 0.639 41.473 40.800 0.057 0.000 1.192 410 D HN 0.123 nan 8.370 nan 0.000 0.450 411 P HA 0.091 nan 4.420 nan 0.000 0.272 411 P C 0.079 177.340 177.300 -0.065 0.000 1.223 411 P CA -0.302 62.823 63.100 0.042 0.000 0.784 411 P CB 1.217 32.942 31.700 0.043 0.000 0.923 412 K N 0.658 120.974 120.400 -0.140 0.000 2.399 412 K HA 0.156 4.477 4.320 0.001 0.000 0.196 412 K C 0.369 176.926 176.600 -0.071 0.000 1.117 412 K CA 0.543 56.702 56.287 -0.213 0.000 0.965 412 K CB 0.164 32.292 32.500 -0.620 0.000 0.983 412 K HN 0.448 nan 8.250 nan 0.000 0.531 413 V N -1.886 118.014 119.914 -0.023 0.000 3.046 413 V HA 0.598 4.719 4.120 0.001 0.000 0.316 413 V C -0.160 175.956 176.094 0.036 0.000 1.104 413 V CA -1.227 61.102 62.300 0.049 0.000 1.006 413 V CB 1.622 33.517 31.823 0.119 0.000 1.058 413 V HN -0.035 nan 8.190 nan 0.000 0.440 414 S N 0.550 116.274 115.700 0.039 0.000 2.562 414 S HA 0.457 4.928 4.470 0.001 0.000 0.275 414 S C 0.818 175.441 174.600 0.039 0.000 1.281 414 S CA -0.615 57.605 58.200 0.033 0.000 1.045 414 S CB 0.696 63.911 63.200 0.026 0.000 0.962 414 S HN 0.760 nan 8.310 nan 0.000 0.503 415 L N 2.888 124.133 121.223 0.037 0.000 2.131 415 L HA -0.101 4.240 4.340 0.001 0.000 0.210 415 L C 1.356 178.246 176.870 0.034 0.000 1.092 415 L CA 1.700 56.563 54.840 0.039 0.000 0.759 415 L CB -0.378 41.703 42.059 0.037 0.000 0.903 415 L HN 0.796 nan 8.230 nan 0.000 0.435 416 D N -2.640 117.778 120.400 0.029 0.000 2.340 416 D HA -0.033 4.607 4.640 0.001 0.000 0.217 416 D C 0.287 176.602 176.300 0.024 0.000 1.081 416 D CA -0.226 53.789 54.000 0.025 0.000 0.842 416 D CB -0.146 40.666 40.800 0.020 0.000 0.934 416 D HN 0.088 nan 8.370 nan 0.000 0.511 417 D N 1.114 121.531 120.400 0.028 0.000 2.295 417 D HA 0.094 4.735 4.640 0.001 0.000 0.248 417 D C -1.400 174.916 176.300 0.027 0.000 1.154 417 D CA -2.488 51.529 54.000 0.027 0.000 0.857 417 D CB 1.667 42.485 40.800 0.031 0.000 1.117 417 D HN -0.151 nan 8.370 nan 0.000 0.468 418 P HA -0.057 nan 4.420 nan 0.000 0.226 418 P C 0.510 177.821 177.300 0.017 0.000 1.153 418 P CA 0.883 63.994 63.100 0.018 0.000 0.777 418 P CB 0.398 32.106 31.700 0.014 0.000 0.794 419 E N -0.840 119.371 120.200 0.019 0.000 2.431 419 E HA 0.142 4.493 4.350 0.001 0.000 0.200 419 E C 1.949 178.563 176.600 0.023 0.000 0.995 419 E CA 0.254 56.663 56.400 0.016 0.000 0.915 419 E CB -0.078 29.628 29.700 0.011 0.000 0.930 419 E HN 0.102 nan 8.360 nan 0.000 0.496 420 A N 2.168 125.010 122.820 0.037 0.000 1.870 420 A HA -0.246 4.075 4.320 0.001 0.000 0.219 420 A C 2.192 179.807 177.584 0.052 0.000 1.224 420 A CA 1.422 53.494 52.037 0.058 0.000 0.650 420 A CB -1.047 17.992 19.000 0.065 0.000 0.836 420 A HN 0.228 nan 8.150 nan 0.000 0.454 421 L N -0.940 120.308 121.223 0.040 0.000 2.151 421 L HA -0.254 4.086 4.340 0.001 0.000 0.215 421 L C 2.721 179.599 176.870 0.013 0.000 1.084 421 L CA 1.906 56.764 54.840 0.031 0.000 0.764 421 L CB -0.586 41.489 42.059 0.026 0.000 0.891 421 L HN 0.477 nan 8.230 nan 0.000 0.435 422 T N -1.049 113.509 114.554 0.006 0.000 2.896 422 T HA -0.111 4.240 4.350 0.001 0.000 0.263 422 T C 1.836 176.516 174.700 -0.033 0.000 1.050 422 T CA 0.969 63.061 62.100 -0.013 0.000 1.140 422 T CB 0.102 68.963 68.868 -0.011 0.000 0.877 422 T HN 0.327 nan 8.240 nan 0.000 0.457 423 K N 0.899 121.286 120.400 -0.022 0.000 2.057 423 K HA 0.078 4.398 4.320 0.001 0.000 0.206 423 K C 2.109 178.634 176.600 -0.125 0.000 1.050 423 K CA 1.048 57.298 56.287 -0.063 0.000 0.935 423 K CB -0.269 32.232 32.500 0.002 0.000 0.715 423 K HN 0.287 nan 8.250 nan 0.000 0.439 424 I N 1.074 121.636 120.570 -0.014 0.000 2.127 424 I HA -0.306 3.865 4.170 0.001 0.000 0.241 424 I C 2.765 178.839 176.117 -0.071 0.000 1.075 424 I CA 1.236 62.545 61.300 0.016 0.000 1.334 424 I CB -0.274 37.791 38.000 0.108 0.000 1.040 424 I HN 0.175 nan 8.210 nan 0.000 0.405 425 R N 0.976 121.445 120.500 -0.051 0.000 2.103 425 R HA -0.241 4.100 4.340 0.001 0.000 0.242 425 R C 2.584 178.827 176.300 -0.094 0.000 1.142 425 R CA 1.550 57.614 56.100 -0.059 0.000 0.960 425 R CB -0.282 29.993 30.300 -0.041 0.000 0.858 425 R HN 0.217 nan 8.270 nan 0.000 0.439 426 R N 0.916 121.343 120.500 -0.122 0.000 2.070 426 R HA -0.120 4.221 4.340 0.001 0.000 0.233 426 R C 1.604 177.793 176.300 -0.185 0.000 1.137 426 R CA 1.732 57.746 56.100 -0.143 0.000 0.945 426 R CB -0.410 29.802 30.300 -0.147 0.000 0.845 426 R HN 0.268 nan 8.270 nan 0.000 0.430 427 E N 0.656 120.683 120.200 -0.288 0.000 2.265 427 E HA -0.153 4.198 4.350 0.001 0.000 0.196 427 E C 1.934 178.424 176.600 -0.183 0.000 0.996 427 E CA 0.734 56.914 56.400 -0.366 0.000 0.832 427 E CB -0.042 29.101 29.700 -0.929 0.000 0.756 427 E HN 0.212 nan 8.360 nan 0.000 0.491 428 L N 0.516 121.663 121.223 -0.126 0.000 2.168 428 L HA -0.005 4.336 4.340 0.001 0.000 0.203 428 L C 2.336 179.167 176.870 -0.065 0.000 1.078 428 L CA 1.281 56.084 54.840 -0.062 0.000 0.780 428 L CB -0.438 41.589 42.059 -0.054 0.000 0.939 428 L HN -0.063 nan 8.230 nan 0.000 0.451 429 K N -0.559 119.794 120.400 -0.078 0.000 2.026 429 K HA -0.096 4.225 4.320 0.001 0.000 0.208 429 K C -0.213 176.346 176.600 -0.070 0.000 1.048 429 K CA 1.243 57.486 56.287 -0.072 0.000 0.929 429 K CB 0.180 32.634 32.500 -0.077 0.000 0.713 429 K HN 0.203 nan 8.250 nan 0.000 0.439 430 D N 0.693 121.041 120.400 -0.087 0.000 2.462 430 D HA 0.176 4.816 4.640 0.001 0.000 0.249 430 D C -1.140 175.112 176.300 -0.081 0.000 1.117 430 D CA -0.094 53.857 54.000 -0.082 0.000 0.900 430 D CB 1.347 42.081 40.800 -0.110 0.000 1.039 430 D HN 0.246 nan 8.370 nan 0.000 0.516 431 A N 1.604 124.399 122.820 -0.042 0.000 2.531 431 A HA 0.501 4.822 4.320 0.001 0.000 0.236 431 A C 0.863 178.412 177.584 -0.058 0.000 1.062 431 A CA 0.342 52.363 52.037 -0.025 0.000 0.760 431 A CB 0.530 19.546 19.000 0.026 0.000 0.995 431 A HN 0.519 nan 8.150 nan 0.000 0.501 432 G N -0.874 107.882 108.800 -0.073 0.000 3.140 432 G HA2 0.573 4.534 3.960 0.001 0.000 0.271 432 G HA3 0.573 4.534 3.960 0.001 0.000 0.271 432 G C 0.847 175.672 174.900 -0.124 0.000 1.370 432 G CA 0.122 45.132 45.100 -0.150 0.000 1.014 432 G HN 1.331 nan 8.290 nan 0.000 0.541 433 A N -0.843 121.849 122.820 -0.213 0.000 2.070 433 A HA 0.052 4.373 4.320 0.001 0.000 0.220 433 A C 1.579 179.289 177.584 0.210 0.000 1.159 433 A CA 2.028 53.924 52.037 -0.236 0.000 0.656 433 A CB -0.187 18.732 19.000 -0.135 0.000 0.800 433 A HN 0.405 nan 8.150 nan 0.000 0.453 434 D N -1.276 119.295 120.400 0.286 0.000 2.350 434 D HA 0.027 4.668 4.640 0.001 0.000 0.213 434 D C 1.778 178.459 176.300 0.635 0.000 1.031 434 D CA 0.200 54.548 54.000 0.580 0.000 0.861 434 D CB -0.192 40.912 40.800 0.506 0.000 0.926 434 D HN 0.515 nan 8.370 nan 0.000 0.520 435 R N 0.828 121.557 120.500 0.382 0.000 2.159 435 R HA -0.244 4.097 4.340 0.001 0.000 0.252 435 R C 2.021 178.491 176.300 0.283 0.000 1.144 435 R CA 1.399 57.693 56.100 0.323 0.000 0.961 435 R CB -0.508 29.894 30.300 0.170 0.000 0.877 435 R HN 0.086 nan 8.270 nan 0.000 0.444 436 I N 0.298 120.930 120.570 0.104 0.000 2.236 436 I HA -0.303 3.868 4.170 0.001 0.000 0.249 436 I C 1.657 177.745 176.117 -0.047 0.000 1.102 436 I CA 1.515 62.752 61.300 -0.104 0.000 1.365 436 I CB -0.384 37.260 38.000 -0.593 0.000 1.051 436 I HN 0.357 nan 8.210 nan 0.000 0.420 437 W N -0.928 120.465 121.300 0.156 0.000 2.418 437 W HA -0.163 4.498 4.660 0.001 0.000 0.292 437 W C 2.506 178.994 176.519 -0.051 0.000 1.213 437 W CA 0.755 58.145 57.345 0.075 0.000 1.283 437 W CB -1.158 28.245 29.460 -0.095 0.000 1.119 437 W HN 0.196 nan 8.180 nan 0.000 0.542 438 Y N 0.383 120.859 120.300 0.294 0.000 2.421 438 Y HA -0.150 4.401 4.550 0.001 0.000 0.292 438 Y C 2.407 178.332 175.900 0.042 0.000 1.136 438 Y CA 1.042 59.229 58.100 0.146 0.000 1.255 438 Y CB -0.649 37.865 38.460 0.091 0.000 0.991 438 Y HN -0.161 nan 8.280 nan 0.000 0.552 439 I N -0.920 119.744 120.570 0.156 0.000 2.286 439 I HA -0.286 3.885 4.170 0.001 0.000 0.245 439 I C 2.528 178.559 176.117 -0.145 0.000 1.104 439 I CA 1.053 62.328 61.300 -0.043 0.000 1.397 439 I CB -0.509 37.520 38.000 0.048 0.000 1.072 439 I HN 0.185 nan 8.210 nan 0.000 0.417 440 A N 0.401 123.230 122.820 0.016 0.000 1.930 440 A HA -0.217 4.104 4.320 0.001 0.000 0.217 440 A C 1.903 179.529 177.584 0.069 0.000 1.175 440 A CA 1.805 53.852 52.037 0.018 0.000 0.627 440 A CB -0.494 18.481 19.000 -0.042 0.000 0.815 440 A HN 0.307 nan 8.150 nan 0.000 0.443 441 D N 0.063 120.502 120.400 0.065 0.000 2.178 441 D HA -0.019 4.622 4.640 0.001 0.000 0.201 441 D C 2.153 178.486 176.300 0.056 0.000 0.980 441 D CA 1.284 55.325 54.000 0.068 0.000 0.842 441 D CB -0.271 40.559 40.800 0.051 0.000 0.948 441 D HN 0.429 nan 8.370 nan 0.000 0.472 442 A N 0.162 122.968 122.820 -0.022 0.000 1.898 442 A HA -0.140 4.181 4.320 0.001 0.000 0.216 442 A C 1.831 179.400 177.584 -0.025 0.000 1.181 442 A CA 0.839 52.825 52.037 -0.086 0.000 0.620 442 A CB -0.796 18.061 19.000 -0.238 0.000 0.819 442 A HN 0.123 nan 8.150 nan 0.000 0.442 443 F N -0.004 119.969 119.950 0.040 0.000 2.293 443 F HA -0.014 4.514 4.527 0.002 0.000 0.300 443 F C 2.440 178.253 175.800 0.022 0.000 1.086 443 F CA 1.031 59.042 58.000 0.019 0.000 1.375 443 F CB -0.415 38.578 39.000 -0.013 0.000 1.045 443 F HN 0.147 nan 8.300 nan 0.000 0.516 444 R N -0.374 120.238 120.500 0.186 0.000 2.161 444 R HA 0.123 4.464 4.340 0.001 0.000 0.213 444 R C 2.117 178.477 176.300 0.100 0.000 1.055 444 R CA 0.837 57.013 56.100 0.126 0.000 0.996 444 R CB -0.425 29.937 30.300 0.103 0.000 0.901 444 R HN 0.161 nan 8.270 nan 0.000 0.456 445 A N 0.251 123.127 122.820 0.094 0.000 2.238 445 A HA 0.210 4.531 4.320 0.001 0.000 0.208 445 A C 1.298 178.929 177.584 0.077 0.000 1.177 445 A CA 0.790 52.871 52.037 0.075 0.000 0.804 445 A CB -0.121 18.919 19.000 0.065 0.000 0.823 445 A HN 0.430 nan 8.150 nan 0.000 0.482 446 G N -1.415 107.448 108.800 0.105 0.000 2.131 446 G HA2 -0.178 3.783 3.960 0.001 0.000 0.223 446 G HA3 -0.178 3.783 3.960 0.001 0.000 0.223 446 G C 0.011 174.979 174.900 0.114 0.000 0.990 446 G CA 0.156 45.318 45.100 0.102 0.000 0.671 446 G HN 0.391 nan 8.290 nan 0.000 0.521 447 L N 1.566 122.869 121.223 0.132 0.000 2.375 447 L HA 0.576 4.917 4.340 0.001 0.000 0.271 447 L C 1.482 178.496 176.870 0.240 0.000 1.107 447 L CA -0.053 54.861 54.840 0.122 0.000 0.806 447 L CB 1.356 43.438 42.059 0.039 0.000 1.146 447 L HN 0.458 nan 8.230 nan 0.000 0.447 448 S N 1.108 116.932 115.700 0.206 0.000 2.681 448 S HA 0.223 4.694 4.470 0.001 0.000 0.270 448 S C 1.043 175.892 174.600 0.416 0.000 1.209 448 S CA -0.910 57.445 58.200 0.259 0.000 0.988 448 S CB 1.490 64.778 63.200 0.146 0.000 1.006 448 S HN 0.328 nan 8.310 nan 0.000 0.558 449 V N 1.233 121.365 119.914 0.363 0.000 2.287 449 V HA -0.171 3.949 4.120 0.001 0.000 0.248 449 V C 2.167 178.440 176.094 0.297 0.000 1.053 449 V CA 2.335 64.876 62.300 0.403 0.000 1.027 449 V CB -1.023 30.892 31.823 0.154 0.000 0.646 449 V HN 0.837 nan 8.190 nan 0.000 0.447 450 D N 0.420 120.937 120.400 0.194 0.000 2.182 450 D HA -0.118 4.523 4.640 0.001 0.000 0.201 450 D C 2.150 178.577 176.300 0.212 0.000 0.986 450 D CA 1.551 55.661 54.000 0.184 0.000 0.847 450 D CB -0.561 40.301 40.800 0.104 0.000 0.942 450 D HN 0.492 nan 8.370 nan 0.000 0.467 451 G N 0.484 109.386 108.800 0.170 0.000 2.402 451 G HA2 -0.172 3.789 3.960 0.001 0.000 0.216 451 G HA3 -0.172 3.789 3.960 0.001 0.000 0.216 451 G C 1.860 176.817 174.900 0.096 0.000 1.162 451 G CA 0.628 45.801 45.100 0.121 0.000 0.777 451 G HN 0.235 nan 8.290 nan 0.000 0.539 452 V N 0.537 120.510 119.914 0.098 0.000 2.307 452 V HA -0.122 3.999 4.120 0.001 0.000 0.245 452 V C 2.292 178.429 176.094 0.071 0.000 1.045 452 V CA 1.808 64.118 62.300 0.017 0.000 1.024 452 V CB -0.754 31.015 31.823 -0.090 0.000 0.651 452 V HN 0.386 nan 8.190 nan 0.000 0.449 453 F N 2.078 122.062 119.950 0.057 0.000 2.043 453 F HA -0.320 4.208 4.527 0.002 0.000 0.297 453 F C 2.387 178.210 175.800 0.038 0.000 1.118 453 F CA 2.436 60.467 58.000 0.053 0.000 1.202 453 F CB -0.414 38.626 39.000 0.067 0.000 0.965 453 F HN 0.195 nan 8.300 nan 0.000 0.482 454 N N 0.636 119.390 118.700 0.089 0.000 2.205 454 N HA -0.177 4.564 4.740 0.001 0.000 0.186 454 N C 1.790 177.234 175.510 -0.109 0.000 1.015 454 N CA 1.705 54.745 53.050 -0.016 0.000 0.862 454 N CB -0.468 38.084 38.487 0.109 0.000 0.986 454 N HN 0.404 nan 8.380 nan 0.000 0.429 455 L N -0.327 120.844 121.223 -0.087 0.000 2.307 455 L HA 0.025 4.366 4.340 0.001 0.000 0.211 455 L C 2.101 178.897 176.870 -0.124 0.000 1.099 455 L CA 1.120 55.909 54.840 -0.085 0.000 0.816 455 L CB -0.192 41.832 42.059 -0.058 0.000 0.952 455 L HN 0.248 nan 8.230 nan 0.000 0.455 456 T N -5.658 108.791 114.554 -0.175 0.000 2.990 456 T HA 0.119 4.470 4.350 0.001 0.000 0.249 456 T C 0.871 175.409 174.700 -0.270 0.000 1.039 456 T CA 0.412 62.409 62.100 -0.172 0.000 1.036 456 T CB -0.067 68.731 68.868 -0.117 0.000 0.994 456 T HN 0.250 nan 8.240 nan 0.000 0.489 457 N N 0.539 118.901 118.700 -0.562 0.000 2.778 457 N HA -0.124 4.617 4.740 0.001 0.000 0.249 457 N C -0.713 174.604 175.510 -0.322 0.000 1.069 457 N CA 0.721 53.347 53.050 -0.707 0.000 0.831 457 N CB -1.774 36.522 38.487 -0.318 0.000 1.142 457 N HN 0.590 nan 8.380 nan 0.000 0.573 458 I N 0.897 121.342 120.570 -0.208 0.000 2.496 458 I HA 0.016 4.187 4.170 0.001 0.000 0.285 458 I C 0.920 177.172 176.117 0.225 0.000 1.080 458 I CA -0.166 61.065 61.300 -0.115 0.000 1.404 458 I CB 0.419 38.209 38.000 -0.350 0.000 1.403 458 I HN 0.141 nan 8.210 nan 0.000 0.539 459 D N 5.939 126.542 120.400 0.338 0.000 2.583 459 D HA -0.069 4.571 4.640 0.001 0.000 0.232 459 D C 1.213 177.745 176.300 0.387 0.000 1.128 459 D CA 0.410 54.670 54.000 0.434 0.000 0.859 459 D CB 0.789 41.818 40.800 0.382 0.000 1.169 459 D HN 0.482 nan 8.370 nan 0.000 0.481 460 R N 2.816 123.473 120.500 0.262 0.000 2.139 460 R HA -0.214 4.126 4.340 0.001 0.000 0.243 460 R C 1.965 178.350 176.300 0.142 0.000 1.145 460 R CA 1.434 57.636 56.100 0.171 0.000 0.976 460 R CB -0.187 30.125 30.300 0.020 0.000 0.866 460 R HN 0.661 nan 8.270 nan 0.000 0.449 461 W N 0.723 121.984 121.300 -0.065 0.000 2.325 461 W HA -0.242 4.419 4.660 0.001 0.000 0.299 461 W C 1.287 177.725 176.519 -0.135 0.000 1.215 461 W CA 1.569 58.809 57.345 -0.175 0.000 1.244 461 W CB -0.214 29.038 29.460 -0.347 0.000 1.140 461 W HN -0.024 nan 8.180 nan 0.000 0.523 462 F N -0.320 119.759 119.950 0.216 0.000 2.118 462 F HA -0.065 4.463 4.527 0.001 0.000 0.293 462 F C 2.325 178.168 175.800 0.072 0.000 1.102 462 F CA 1.391 59.474 58.000 0.139 0.000 1.247 462 F CB -1.337 37.807 39.000 0.241 0.000 1.017 462 F HN -0.267 nan 8.300 nan 0.000 0.475 463 L N 0.328 121.741 121.223 0.318 0.000 2.043 463 L HA -0.222 4.119 4.340 0.001 0.000 0.212 463 L C 2.526 179.467 176.870 0.119 0.000 1.075 463 L CA 1.563 56.591 54.840 0.313 0.000 0.752 463 L CB -1.234 41.054 42.059 0.381 0.000 0.891 463 L HN 0.192 nan 8.230 nan 0.000 0.432 464 V N -3.015 116.882 119.914 -0.028 0.000 2.626 464 V HA -0.242 3.879 4.120 0.001 0.000 0.252 464 V C 2.150 178.119 176.094 -0.209 0.000 1.067 464 V CA 1.371 63.566 62.300 -0.176 0.000 1.081 464 V CB -0.729 30.989 31.823 -0.175 0.000 0.686 464 V HN 0.497 nan 8.190 nan 0.000 0.468 465 Q N 0.178 119.874 119.800 -0.174 0.000 2.123 465 Q HA 0.048 4.389 4.340 0.001 0.000 0.199 465 Q C 2.296 178.229 176.000 -0.112 0.000 0.966 465 Q CA 1.975 57.679 55.803 -0.164 0.000 0.845 465 Q CB -0.215 28.401 28.738 -0.202 0.000 0.907 465 Q HN 0.666 nan 8.270 nan 0.000 0.439 466 I N 0.686 121.222 120.570 -0.056 0.000 2.252 466 I HA -0.235 3.936 4.170 0.001 0.000 0.245 466 I C 2.457 178.447 176.117 -0.212 0.000 1.102 466 I CA 0.997 62.201 61.300 -0.160 0.000 1.385 466 I CB -0.215 37.765 38.000 -0.034 0.000 1.064 466 I HN 0.261 nan 8.210 nan 0.000 0.414 467 E N 1.228 121.210 120.200 -0.362 0.000 2.058 467 E HA -0.322 4.029 4.350 0.001 0.000 0.194 467 E C 2.109 178.523 176.600 -0.310 0.000 0.997 467 E CA 1.658 57.658 56.400 -0.667 0.000 0.801 467 E CB -0.049 28.930 29.700 -1.202 0.000 0.746 467 E HN 0.500 nan 8.360 nan 0.000 0.450 468 E N 0.325 120.389 120.200 -0.226 0.000 2.204 468 E HA -0.191 4.160 4.350 0.001 0.000 0.195 468 E C 2.199 178.800 176.600 0.003 0.000 0.990 468 E CA 0.642 56.980 56.400 -0.104 0.000 0.821 468 E CB -0.045 29.603 29.700 -0.087 0.000 0.750 468 E HN 0.340 nan 8.360 nan 0.000 0.477 469 L N 0.290 121.509 121.223 -0.006 0.000 2.093 469 L HA -0.133 4.208 4.340 0.001 0.000 0.208 469 L C 2.514 179.533 176.870 0.249 0.000 1.085 469 L CA 0.636 55.574 54.840 0.163 0.000 0.755 469 L CB -0.264 41.761 42.059 -0.056 0.000 0.904 469 L HN 0.133 nan 8.230 nan 0.000 0.435 470 V N 0.017 119.963 119.914 0.054 0.000 2.295 470 V HA -0.252 3.869 4.120 0.001 0.000 0.246 470 V C 2.680 178.820 176.094 0.076 0.000 1.049 470 V CA 1.601 63.945 62.300 0.074 0.000 1.024 470 V CB -0.649 31.204 31.823 0.050 0.000 0.648 470 V HN 0.460 nan 8.190 nan 0.000 0.447 471 R N -0.031 120.489 120.500 0.033 0.000 2.105 471 R HA -0.101 4.240 4.340 0.001 0.000 0.239 471 R C 2.242 178.576 176.300 0.056 0.000 1.135 471 R CA 1.336 57.452 56.100 0.025 0.000 0.967 471 R CB -0.883 29.410 30.300 -0.011 0.000 0.861 471 R HN 0.427 nan 8.270 nan 0.000 0.442 472 L N 1.088 122.373 121.223 0.104 0.000 2.056 472 L HA -0.148 4.193 4.340 0.001 0.000 0.207 472 L C 2.500 179.362 176.870 -0.012 0.000 1.078 472 L CA 1.344 56.249 54.840 0.109 0.000 0.749 472 L CB -0.395 41.776 42.059 0.187 0.000 0.901 472 L HN 0.238 nan 8.230 nan 0.000 0.433 473 E N 0.148 120.349 120.200 0.001 0.000 2.058 473 E HA -0.261 4.089 4.350 0.001 0.000 0.194 473 E C 1.999 178.599 176.600 -0.000 0.000 0.997 473 E CA 1.438 57.804 56.400 -0.055 0.000 0.801 473 E CB -0.157 29.607 29.700 0.108 0.000 0.746 473 E HN 0.564 nan 8.360 nan 0.000 0.450 474 E N 0.934 121.156 120.200 0.037 0.000 2.097 474 E HA -0.245 4.106 4.350 0.001 0.000 0.196 474 E C 2.105 178.721 176.600 0.028 0.000 1.000 474 E CA 1.214 57.633 56.400 0.033 0.000 0.804 474 E CB -0.128 29.591 29.700 0.032 0.000 0.740 474 E HN 0.119 nan 8.360 nan 0.000 0.454 475 K N 1.009 121.432 120.400 0.039 0.000 2.097 475 K HA -0.126 4.194 4.320 0.001 0.000 0.205 475 K C 2.093 178.746 176.600 0.089 0.000 1.050 475 K CA 0.947 57.255 56.287 0.035 0.000 0.938 475 K CB 0.036 32.540 32.500 0.006 0.000 0.718 475 K HN -0.048 nan 8.250 nan 0.000 0.442 476 V N 1.498 121.484 119.914 0.120 0.000 2.332 476 V HA -0.285 3.836 4.120 0.001 0.000 0.248 476 V C 2.463 178.586 176.094 0.049 0.000 1.055 476 V CA 2.088 64.448 62.300 0.100 0.000 1.038 476 V CB -0.706 31.078 31.823 -0.066 0.000 0.651 476 V HN 0.546 nan 8.190 nan 0.000 0.450 477 A N -0.900 121.935 122.820 0.026 0.000 1.930 477 A HA -0.246 4.075 4.320 0.001 0.000 0.217 477 A C 2.217 179.814 177.584 0.021 0.000 1.175 477 A CA 1.928 53.977 52.037 0.021 0.000 0.627 477 A CB -0.426 18.587 19.000 0.021 0.000 0.815 477 A HN 0.627 nan 8.150 nan 0.000 0.443 478 E N -0.150 120.061 120.200 0.019 0.000 2.001 478 E HA -0.167 4.184 4.350 0.001 0.000 0.195 478 E C 2.117 178.723 176.600 0.009 0.000 1.002 478 E CA 2.160 58.565 56.400 0.007 0.000 0.819 478 E CB -0.253 29.442 29.700 -0.008 0.000 0.769 478 E HN 0.507 nan 8.360 nan 0.000 0.454 479 V N -1.303 118.618 119.914 0.011 0.000 2.469 479 V HA 0.002 4.123 4.120 0.001 0.000 0.251 479 V C 1.250 177.364 176.094 0.035 0.000 1.064 479 V CA 1.307 63.616 62.300 0.016 0.000 1.066 479 V CB -1.560 30.274 31.823 0.019 0.000 0.667 479 V HN 0.546 nan 8.190 nan 0.000 0.461 480 G N -0.254 108.572 108.800 0.043 0.000 2.752 480 G HA2 -0.307 3.654 3.960 0.001 0.000 0.234 480 G HA3 -0.307 3.654 3.960 0.001 0.000 0.234 480 G C 0.443 175.370 174.900 0.045 0.000 1.367 480 G CA 0.128 45.249 45.100 0.035 0.000 0.879 480 G HN 0.694 nan 8.290 nan 0.000 0.563 481 I N 0.383 120.970 120.570 0.028 0.000 2.248 481 I HA -0.225 3.946 4.170 0.001 0.000 0.248 481 I C 2.765 178.911 176.117 0.049 0.000 1.107 481 I CA 2.770 64.087 61.300 0.028 0.000 1.373 481 I CB -0.349 37.656 38.000 0.008 0.000 1.055 481 I HN 0.698 nan 8.210 nan 0.000 0.418 482 T N 0.078 114.659 114.554 0.045 0.000 2.833 482 T HA -0.098 4.253 4.350 0.001 0.000 0.269 482 T C 1.600 176.342 174.700 0.071 0.000 1.054 482 T CA 1.253 63.383 62.100 0.051 0.000 1.135 482 T CB -0.605 68.283 68.868 0.033 0.000 0.869 482 T HN 0.596 nan 8.240 nan 0.000 0.466 483 G N 0.874 109.722 108.800 0.080 0.000 2.744 483 G HA2 0.109 4.070 3.960 0.001 0.000 0.211 483 G HA3 0.109 4.070 3.960 0.001 0.000 0.211 483 G C 0.679 175.708 174.900 0.215 0.000 1.143 483 G CA -0.156 45.005 45.100 0.102 0.000 0.788 483 G HN 0.453 nan 8.290 nan 0.000 0.534 484 L N 2.539 123.879 121.223 0.195 0.000 2.511 484 L HA 0.150 4.490 4.340 0.001 0.000 0.239 484 L C 0.370 177.402 176.870 0.271 0.000 1.400 484 L CA -0.676 54.292 54.840 0.214 0.000 1.226 484 L CB -1.030 41.090 42.059 0.101 0.000 1.475 484 L HN 0.306 nan 8.230 nan 0.000 0.428 485 N N -0.300 118.532 118.700 0.218 0.000 2.467 485 N HA 0.263 5.003 4.740 0.001 0.000 0.262 485 N C 1.175 176.602 175.510 -0.140 0.000 1.234 485 N CA 0.130 53.217 53.050 0.061 0.000 0.952 485 N CB 1.005 39.498 38.487 0.011 0.000 1.158 485 N HN 0.162 nan 8.380 nan 0.000 0.463 486 A N 0.814 123.215 122.820 -0.698 0.000 1.915 486 A HA -0.304 4.017 4.320 0.001 0.000 0.220 486 A C 1.555 179.016 177.584 -0.205 0.000 1.198 486 A CA 2.135 53.760 52.037 -0.686 0.000 0.647 486 A CB -1.024 17.519 19.000 -0.762 0.000 0.825 486 A HN 0.845 nan 8.150 nan 0.000 0.456 487 D N -1.302 119.031 120.400 -0.111 0.000 2.092 487 D HA -0.138 4.503 4.640 0.001 0.000 0.193 487 D C 1.653 178.007 176.300 0.091 0.000 0.994 487 D CA 1.362 55.358 54.000 -0.007 0.000 0.828 487 D CB -0.549 40.256 40.800 0.009 0.000 0.963 487 D HN 0.424 nan 8.370 nan 0.000 0.450 488 F N 1.247 121.155 119.950 -0.070 0.000 2.102 488 F HA -0.121 4.407 4.527 0.001 0.000 0.298 488 F C 2.134 177.907 175.800 -0.045 0.000 1.105 488 F CA 0.617 58.587 58.000 -0.051 0.000 1.239 488 F CB -0.743 38.228 39.000 -0.048 0.000 0.991 488 F HN -0.104 nan 8.300 nan 0.000 0.474 489 L N 0.886 122.023 121.223 -0.144 0.000 2.012 489 L HA -0.170 4.171 4.340 0.001 0.000 0.210 489 L C 2.664 179.417 176.870 -0.195 0.000 1.073 489 L CA 2.030 56.743 54.840 -0.212 0.000 0.748 489 L CB -0.991 41.087 42.059 0.032 0.000 0.891 489 L HN 0.186 nan 8.230 nan 0.000 0.431 490 R N -0.939 119.497 120.500 -0.105 0.000 2.091 490 R HA -0.244 4.097 4.340 0.001 0.000 0.238 490 R C 2.404 178.640 176.300 -0.107 0.000 1.136 490 R CA 1.958 57.994 56.100 -0.106 0.000 0.959 490 R CB -0.374 29.908 30.300 -0.029 0.000 0.856 490 R HN 0.633 nan 8.270 nan 0.000 0.437 491 Q N 0.430 120.199 119.800 -0.052 0.000 2.061 491 Q HA -0.197 4.144 4.340 0.001 0.000 0.204 491 Q C 2.129 178.109 176.000 -0.033 0.000 0.984 491 Q CA 1.897 57.702 55.803 0.003 0.000 0.846 491 Q CB -0.116 28.693 28.738 0.118 0.000 0.902 491 Q HN 0.463 nan 8.270 nan 0.000 0.421 492 L N 0.550 121.667 121.223 -0.176 0.000 2.017 492 L HA -0.207 4.134 4.340 0.001 0.000 0.208 492 L C 2.571 179.447 176.870 0.010 0.000 1.073 492 L CA 1.078 55.861 54.840 -0.095 0.000 0.745 492 L CB -0.464 41.329 42.059 -0.443 0.000 0.894 492 L HN 0.085 nan 8.230 nan 0.000 0.432 493 K N 0.387 120.652 120.400 -0.226 0.000 2.147 493 K HA -0.139 4.182 4.320 0.001 0.000 0.205 493 K C 2.166 178.591 176.600 -0.293 0.000 1.049 493 K CA 1.245 57.266 56.287 -0.442 0.000 0.936 493 K CB -0.328 31.512 32.500 -1.100 0.000 0.722 493 K HN 0.313 nan 8.250 nan 0.000 0.446 494 R N 0.845 121.269 120.500 -0.127 0.000 2.189 494 R HA -0.001 4.339 4.340 0.001 0.000 0.223 494 R C 1.549 177.890 176.300 0.069 0.000 1.092 494 R CA 0.851 56.978 56.100 0.045 0.000 0.989 494 R CB 0.095 30.439 30.300 0.074 0.000 0.876 494 R HN 0.083 nan 8.270 nan 0.000 0.457 495 K N -0.313 120.123 120.400 0.060 0.000 2.437 495 K HA 0.125 4.446 4.320 0.001 0.000 0.198 495 K C 0.530 177.071 176.600 -0.098 0.000 1.024 495 K CA 0.600 56.898 56.287 0.018 0.000 1.148 495 K CB 1.031 33.573 32.500 0.071 0.000 0.860 495 K HN 0.329 nan 8.250 nan 0.000 0.515 496 G N 1.858 110.646 108.800 -0.020 0.000 2.160 496 G HA2 -0.276 3.685 3.960 0.001 0.000 0.251 496 G HA3 -0.276 3.685 3.960 0.001 0.000 0.251 496 G C -0.066 174.801 174.900 -0.055 0.000 1.008 496 G CA -0.257 44.834 45.100 -0.016 0.000 0.724 496 G HN 0.229 nan 8.290 nan 0.000 0.514 497 F N 1.226 121.169 119.950 -0.011 0.000 2.529 497 F HA 0.494 5.021 4.527 0.001 0.000 0.365 497 F C 1.129 176.920 175.800 -0.016 0.000 1.102 497 F CA 0.469 58.464 58.000 -0.008 0.000 1.271 497 F CB 0.815 39.784 39.000 -0.052 0.000 1.120 497 F HN 0.361 nan 8.300 nan 0.000 0.579 498 A N 2.917 125.853 122.820 0.195 0.000 2.340 498 A HA 0.228 4.549 4.320 0.001 0.000 0.268 498 A C 1.089 178.731 177.584 0.097 0.000 1.100 498 A CA -0.699 51.411 52.037 0.122 0.000 0.803 498 A CB 0.302 19.362 19.000 0.100 0.000 1.043 498 A HN 0.779 nan 8.150 nan 0.000 0.488 499 D N 1.600 122.039 120.400 0.064 0.000 2.158 499 D HA -0.183 4.457 4.640 0.001 0.000 0.197 499 D C 2.112 178.431 176.300 0.032 0.000 0.995 499 D CA 2.064 56.084 54.000 0.032 0.000 0.846 499 D CB -0.249 40.568 40.800 0.029 0.000 0.941 499 D HN 0.645 nan 8.370 nan 0.000 0.456 500 A N 0.566 123.414 122.820 0.046 0.000 1.930 500 A HA -0.157 4.164 4.320 0.001 0.000 0.217 500 A C 2.197 179.813 177.584 0.054 0.000 1.175 500 A CA 1.660 53.722 52.037 0.042 0.000 0.627 500 A CB -0.351 18.674 19.000 0.041 0.000 0.815 500 A HN 0.089 nan 8.150 nan 0.000 0.443 501 R N 0.048 120.601 120.500 0.088 0.000 2.075 501 R HA 0.033 4.374 4.340 0.001 0.000 0.232 501 R C 1.916 178.262 176.300 0.077 0.000 1.126 501 R CA 1.442 57.614 56.100 0.121 0.000 0.963 501 R CB -0.693 29.739 30.300 0.222 0.000 0.858 501 R HN 0.497 nan 8.270 nan 0.000 0.435 502 L N -0.085 121.166 121.223 0.046 0.000 2.012 502 L HA -0.146 4.195 4.340 0.001 0.000 0.210 502 L C 2.512 179.367 176.870 -0.024 0.000 1.073 502 L CA 1.496 56.313 54.840 -0.039 0.000 0.748 502 L CB -0.804 41.210 42.059 -0.075 0.000 0.891 502 L HN 0.367 nan 8.230 nan 0.000 0.431 503 A N 0.156 122.973 122.820 -0.005 0.000 1.917 503 A HA -0.294 4.027 4.320 0.001 0.000 0.219 503 A C 2.345 179.931 177.584 0.004 0.000 1.182 503 A CA 2.253 54.287 52.037 -0.004 0.000 0.633 503 A CB -0.457 18.544 19.000 0.001 0.000 0.819 503 A HN 0.310 nan 8.150 nan 0.000 0.448 504 K N -0.563 119.847 120.400 0.017 0.000 2.155 504 K HA 0.082 4.403 4.320 0.001 0.000 0.203 504 K C 1.802 178.413 176.600 0.018 0.000 1.052 504 K CA 0.764 57.064 56.287 0.020 0.000 0.948 504 K CB -0.256 32.262 32.500 0.031 0.000 0.728 504 K HN 0.496 nan 8.250 nan 0.000 0.448 505 L N -0.133 121.098 121.223 0.013 0.000 2.005 505 L HA -0.094 4.247 4.340 0.001 0.000 0.207 505 L C 2.096 178.968 176.870 0.002 0.000 1.072 505 L CA 1.272 56.115 54.840 0.006 0.000 0.744 505 L CB -0.390 41.657 42.059 -0.020 0.000 0.895 505 L HN 0.208 nan 8.230 nan 0.000 0.433 506 A N -0.176 122.640 122.820 -0.006 0.000 2.259 506 A HA 0.243 4.564 4.320 0.001 0.000 0.208 506 A C 1.489 179.074 177.584 0.002 0.000 1.201 506 A CA 0.533 52.569 52.037 -0.002 0.000 0.824 506 A CB -0.889 18.105 19.000 -0.009 0.000 0.838 506 A HN 0.523 nan 8.150 nan 0.000 0.485 507 G N -0.387 108.415 108.800 0.004 0.000 2.395 507 G HA2 -0.074 3.886 3.960 0.001 0.000 0.300 507 G HA3 -0.074 3.886 3.960 0.001 0.000 0.300 507 G C 0.288 175.189 174.900 0.001 0.000 0.998 507 G CA 0.967 46.069 45.100 0.004 0.000 1.046 507 G HN 1.771 nan 8.290 nan 0.000 0.513 508 V N -4.280 115.633 119.914 -0.002 0.000 3.084 508 V HA 0.894 5.015 4.120 0.001 0.000 0.311 508 V C 0.372 176.463 176.094 -0.005 0.000 1.311 508 V CA -1.966 60.331 62.300 -0.005 0.000 1.062 508 V CB 1.280 33.097 31.823 -0.010 0.000 1.113 508 V HN 0.297 nan 8.190 nan 0.000 0.468 509 R N 0.289 120.785 120.500 -0.007 0.000 2.404 509 R HA 0.360 4.701 4.340 0.001 0.000 0.291 509 R C 1.274 177.570 176.300 -0.007 0.000 1.025 509 R CA 0.104 56.200 56.100 -0.006 0.000 0.991 509 R CB 1.152 31.448 30.300 -0.006 0.000 1.053 509 R HN 0.964 nan 8.270 nan 0.000 0.479 510 E N 2.655 122.854 120.200 -0.001 0.000 2.114 510 E HA -0.324 4.027 4.350 0.001 0.000 0.199 510 E C 1.394 177.991 176.600 -0.004 0.000 1.008 510 E CA 1.944 58.345 56.400 0.001 0.000 0.810 510 E CB 0.041 29.746 29.700 0.009 0.000 0.739 510 E HN 0.751 nan 8.360 nan 0.000 0.456 511 A N 0.668 123.485 122.820 -0.005 0.000 2.024 511 A HA -0.231 4.090 4.320 0.001 0.000 0.220 511 A C 1.883 179.455 177.584 -0.020 0.000 1.164 511 A CA 1.666 53.699 52.037 -0.007 0.000 0.643 511 A CB -0.447 18.550 19.000 -0.005 0.000 0.806 511 A HN 0.378 nan 8.150 nan 0.000 0.451 512 E N -0.398 119.787 120.200 -0.025 0.000 2.072 512 E HA -0.142 4.209 4.350 0.001 0.000 0.191 512 E C 1.810 178.374 176.600 -0.061 0.000 0.985 512 E CA 1.043 57.419 56.400 -0.040 0.000 0.801 512 E CB -0.157 29.523 29.700 -0.033 0.000 0.750 512 E HN 0.547 nan 8.360 nan 0.000 0.452 513 I N 0.903 121.442 120.570 -0.052 0.000 2.226 513 I HA -0.248 3.923 4.170 0.001 0.000 0.245 513 I C 2.467 178.538 176.117 -0.077 0.000 1.100 513 I CA 1.328 62.587 61.300 -0.068 0.000 1.374 513 I CB -1.047 36.925 38.000 -0.046 0.000 1.057 513 I HN 0.100 nan 8.210 nan 0.000 0.413 514 R N 1.372 121.847 120.500 -0.042 0.000 2.083 514 R HA -0.209 4.132 4.340 0.001 0.000 0.237 514 R C 2.320 178.591 176.300 -0.050 0.000 1.137 514 R CA 1.722 57.807 56.100 -0.025 0.000 0.951 514 R CB -0.028 30.277 30.300 0.010 0.000 0.851 514 R HN 0.265 nan 8.270 nan 0.000 0.434 515 K N 0.225 120.588 120.400 -0.061 0.000 2.009 515 K HA -0.193 4.128 4.320 0.001 0.000 0.210 515 K C 2.074 178.580 176.600 -0.156 0.000 1.049 515 K CA 1.649 57.890 56.287 -0.076 0.000 0.929 515 K CB -0.383 32.077 32.500 -0.066 0.000 0.714 515 K HN 0.074 nan 8.250 nan 0.000 0.440 516 L N 1.638 122.721 121.223 -0.233 0.000 2.021 516 L HA -0.261 4.080 4.340 0.001 0.000 0.215 516 L C 2.250 178.785 176.870 -0.559 0.000 1.074 516 L CA 1.754 56.311 54.840 -0.471 0.000 0.760 516 L CB -0.253 41.558 42.059 -0.413 0.000 0.889 516 L HN 0.111 nan 8.230 nan 0.000 0.433 517 R N -0.885 119.440 120.500 -0.292 0.000 2.081 517 R HA -0.204 4.137 4.340 0.001 0.000 0.235 517 R C 2.021 178.180 176.300 -0.235 0.000 1.131 517 R CA 1.661 57.630 56.100 -0.219 0.000 0.960 517 R CB -0.538 29.661 30.300 -0.168 0.000 0.856 517 R HN 0.508 nan 8.270 nan 0.000 0.436 518 D N 0.240 120.555 120.400 -0.140 0.000 2.097 518 D HA -0.195 4.446 4.640 0.001 0.000 0.195 518 D C 1.933 178.242 176.300 0.015 0.000 0.989 518 D CA 1.326 55.332 54.000 0.011 0.000 0.827 518 D CB 0.038 40.880 40.800 0.072 0.000 0.966 518 D HN 0.127 nan 8.370 nan 0.000 0.456 519 Q N -1.243 118.513 119.800 -0.073 0.000 1.985 519 Q HA -0.223 4.118 4.340 0.001 0.000 0.207 519 Q C 1.842 177.900 176.000 0.097 0.000 0.996 519 Q CA 1.584 57.364 55.803 -0.039 0.000 0.851 519 Q CB -0.280 28.342 28.738 -0.193 0.000 0.921 519 Q HN 0.436 nan 8.270 nan 0.000 0.418 520 Y N 0.467 120.761 120.300 -0.010 0.000 2.569 520 Y HA -0.087 4.464 4.550 0.001 0.000 0.293 520 Y C 0.652 176.551 175.900 -0.001 0.000 1.144 520 Y CA 1.165 59.259 58.100 -0.010 0.000 1.321 520 Y CB -0.590 37.852 38.460 -0.030 0.000 0.982 520 Y HN 0.382 nan 8.280 nan 0.000 0.558 521 D N -1.069 119.416 120.400 0.141 0.000 2.800 521 D HA -0.208 4.433 4.640 0.001 0.000 0.232 521 D C -0.669 175.683 176.300 0.087 0.000 1.137 521 D CA 0.268 54.358 54.000 0.151 0.000 0.718 521 D CB -1.378 39.529 40.800 0.178 0.000 1.084 521 D HN 0.220 nan 8.370 nan 0.000 0.432 522 L N 2.011 123.180 121.223 -0.090 0.000 2.288 522 L HA 0.461 4.802 4.340 0.001 0.000 0.283 522 L C -0.828 175.925 176.870 -0.195 0.000 1.072 522 L CA -0.204 54.622 54.840 -0.022 0.000 0.862 522 L CB 0.510 42.614 42.059 0.076 0.000 1.245 522 L HN 0.118 nan 8.230 nan 0.000 0.432 523 H N 4.049 123.269 119.070 0.250 0.000 2.865 523 H HA 0.586 5.143 4.556 0.001 0.000 0.372 523 H C -2.553 172.668 175.328 -0.178 0.000 1.173 523 H CA -1.708 54.423 56.048 0.139 0.000 1.147 523 H CB 1.846 31.639 29.762 0.051 0.000 1.805 523 H HN 0.374 nan 8.280 nan 0.000 0.553 524 P HA 0.121 nan 4.420 nan 0.000 0.276 524 P C -0.207 176.753 177.300 -0.567 0.000 1.261 524 P CA -0.406 62.046 63.100 -1.080 0.000 0.800 524 P CB 1.083 32.159 31.700 -1.041 0.000 1.066 525 V N -2.099 117.471 119.914 -0.574 0.000 3.177 525 V HA 0.580 4.701 4.120 0.001 0.000 0.319 525 V C -0.981 174.702 176.094 -0.685 0.000 1.125 525 V CA -0.971 61.096 62.300 -0.388 0.000 1.029 525 V CB 1.025 32.737 31.823 -0.183 0.000 1.119 525 V HN 0.343 nan 8.190 nan 0.000 0.452 526 Y N 0.612 120.840 120.300 -0.119 0.000 2.341 526 Y HA 0.685 5.236 4.550 0.001 0.000 0.338 526 Y C 0.321 176.051 175.900 -0.283 0.000 0.965 526 Y CA -0.814 57.182 58.100 -0.172 0.000 1.108 526 Y CB 1.772 40.223 38.460 -0.015 0.000 1.180 526 Y HN 0.478 nan 8.280 nan 0.000 0.458 527 K N 3.157 123.255 120.400 -0.503 0.000 2.095 527 K HA 0.560 4.881 4.320 0.001 0.000 0.252 527 K C -0.291 176.053 176.600 -0.427 0.000 0.977 527 K CA -0.817 55.156 56.287 -0.523 0.000 0.900 527 K CB 1.504 33.554 32.500 -0.749 0.000 1.060 527 K HN 0.709 nan 8.250 nan 0.000 0.449 528 R N 0.182 120.586 120.500 -0.159 0.000 2.732 528 R HA 0.448 4.789 4.340 0.001 0.000 0.278 528 R C -0.476 175.833 176.300 0.016 0.000 0.976 528 R CA -0.991 55.066 56.100 -0.072 0.000 0.963 528 R CB 1.602 31.885 30.300 -0.028 0.000 1.150 528 R HN 0.200 nan 8.270 nan 0.000 0.478 529 V N 2.322 122.170 119.914 -0.111 0.000 2.546 529 V HA 0.068 4.189 4.120 0.001 0.000 0.284 529 V C 0.154 176.251 176.094 0.005 0.000 1.050 529 V CA 0.329 62.544 62.300 -0.141 0.000 0.981 529 V CB 1.331 32.660 31.823 -0.823 0.000 0.990 529 V HN 0.992 nan 8.190 nan 0.000 0.474 530 D N 0.372 120.845 120.400 0.122 0.000 2.480 530 D HA 0.037 4.678 4.640 0.001 0.000 0.276 530 D C 0.883 177.292 176.300 0.181 0.000 1.294 530 D CA 0.733 54.805 54.000 0.120 0.000 0.829 530 D CB -0.031 40.842 40.800 0.121 0.000 1.242 530 D HN 0.759 nan 8.370 nan 0.000 0.513 531 T N -2.037 112.656 114.554 0.231 0.000 8.985 531 T HA -0.378 3.973 4.350 0.001 0.000 0.339 531 T C 1.084 175.985 174.700 0.335 0.000 1.929 531 T CA 1.471 63.759 62.100 0.312 0.000 2.929 531 T CB -2.949 66.214 68.868 0.491 0.000 2.454 531 T HN 0.997 nan 8.240 nan 0.000 1.140 532 C N 0.643 120.101 119.300 0.263 0.000 2.994 532 C HA 0.891 5.352 4.460 0.001 0.000 0.250 532 C C 1.676 176.763 174.990 0.161 0.000 1.814 532 C CA -0.381 58.796 59.018 0.266 0.000 1.730 532 C CB -0.578 27.378 27.740 0.359 0.000 3.258 532 C HN 2.181 nan 8.230 nan 0.000 0.472 533 A N 0.059 122.936 122.820 0.095 0.000 2.783 533 A HA 0.215 4.536 4.320 0.001 0.000 0.292 533 A C 1.662 179.274 177.584 0.047 0.000 1.495 533 A CA 1.696 53.760 52.037 0.045 0.000 0.787 533 A CB -1.852 17.152 19.000 0.008 0.000 1.017 533 A HN 2.861 nan 8.150 nan 0.000 0.516 534 A N -2.471 120.392 122.820 0.071 0.000 3.172 534 A HA -0.325 3.996 4.320 0.001 0.000 0.263 534 A C 1.164 178.721 177.584 -0.045 0.000 1.215 534 A CA 2.267 54.324 52.037 0.033 0.000 1.065 534 A CB -2.277 16.740 19.000 0.029 0.000 1.148 534 A HN 1.801 nan 8.150 nan 0.000 0.904 535 E N -1.647 118.509 120.200 -0.073 0.000 2.204 535 E HA 0.067 4.418 4.350 0.001 0.000 0.194 535 E C 0.049 176.226 176.600 -0.706 0.000 0.989 535 E CA 1.015 57.206 56.400 -0.348 0.000 0.824 535 E CB 0.007 29.500 29.700 -0.345 0.000 0.756 535 E HN 0.738 nan 8.360 nan 0.000 0.477 536 F N -0.546 119.391 119.950 -0.022 0.000 2.563 536 F HA 0.529 5.057 4.527 0.001 0.000 0.316 536 F C 0.238 176.023 175.800 -0.024 0.000 1.076 536 F CA -1.021 56.958 58.000 -0.036 0.000 0.921 536 F CB 1.418 40.376 39.000 -0.070 0.000 1.209 536 F HN -0.161 nan 8.300 nan 0.000 0.462 537 A N 0.946 123.848 122.820 0.137 0.000 2.346 537 A HA 0.581 4.902 4.320 0.001 0.000 0.252 537 A C -0.016 177.613 177.584 0.076 0.000 1.089 537 A CA -0.036 52.047 52.037 0.076 0.000 0.797 537 A CB 0.476 19.504 19.000 0.046 0.000 1.047 537 A HN 0.733 nan 8.150 nan 0.000 0.494 538 T N -1.037 113.541 114.554 0.041 0.000 2.900 538 T HA 0.469 4.820 4.350 0.001 0.000 0.295 538 T C -0.678 174.024 174.700 0.002 0.000 1.044 538 T CA -0.590 61.519 62.100 0.016 0.000 0.995 538 T CB 1.166 70.040 68.868 0.010 0.000 1.072 538 T HN 0.499 nan 8.240 nan 0.000 0.473 539 D N 2.321 122.714 120.400 -0.012 0.000 2.402 539 D HA 0.202 4.843 4.640 0.001 0.000 0.216 539 D C 0.059 176.349 176.300 -0.016 0.000 1.128 539 D CA 0.155 54.149 54.000 -0.010 0.000 0.833 539 D CB 0.775 41.570 40.800 -0.007 0.000 0.971 539 D HN 0.501 nan 8.370 nan 0.000 0.503 540 T N 0.431 114.966 114.554 -0.031 0.000 2.902 540 T HA 0.573 4.924 4.350 0.001 0.000 0.283 540 T C 0.216 174.916 174.700 -0.001 0.000 1.009 540 T CA -0.626 61.453 62.100 -0.034 0.000 1.051 540 T CB 2.270 71.059 68.868 -0.132 0.000 0.999 540 T HN -0.056 nan 8.240 nan 0.000 0.474 541 A N 3.018 125.846 122.820 0.014 0.000 2.937 541 A HA 0.424 4.745 4.320 0.001 0.000 0.338 541 A C -0.839 176.766 177.584 0.035 0.000 1.273 541 A CA -0.517 51.512 52.037 -0.014 0.000 0.937 541 A CB -0.314 18.646 19.000 -0.066 0.000 1.133 541 A HN 0.722 nan 8.150 nan 0.000 0.491 542 Y N 3.265 123.523 120.300 -0.069 0.000 2.491 542 Y HA 0.698 5.249 4.550 0.001 0.000 0.334 542 Y C -0.604 175.286 175.900 -0.018 0.000 0.969 542 Y CA -1.824 56.275 58.100 -0.002 0.000 1.241 542 Y CB 0.453 38.950 38.460 0.061 0.000 1.105 542 Y HN 0.581 nan 8.280 nan 0.000 0.503 543 M N 6.743 126.448 119.600 0.175 0.000 2.724 543 M HA 0.546 5.027 4.480 0.001 0.000 0.310 543 M C -1.468 174.997 176.300 0.276 0.000 1.217 543 M CA -1.104 54.217 55.300 0.035 0.000 0.894 543 M CB 2.629 35.109 32.600 -0.200 0.000 1.719 543 M HN 0.486 nan 8.290 nan 0.000 0.479 544 Y N -1.635 118.769 120.300 0.173 0.000 2.553 544 Y HA 0.831 5.382 4.550 0.001 0.000 0.347 544 Y C -0.636 175.379 175.900 0.191 0.000 1.019 544 Y CA -1.418 56.805 58.100 0.205 0.000 1.032 544 Y CB 0.950 39.404 38.460 -0.009 0.000 1.284 544 Y HN 0.746 nan 8.280 nan 0.000 0.466 545 S N 1.562 117.385 115.700 0.204 0.000 2.586 545 S HA 0.781 5.252 4.470 0.001 0.000 0.274 545 S C -0.353 174.175 174.600 -0.121 0.000 1.281 545 S CA 0.017 58.047 58.200 -0.284 0.000 1.035 545 S CB 1.631 64.660 63.200 -0.286 0.000 0.962 545 S HN 1.132 nan 8.310 nan 0.000 0.512 546 T N 0.880 115.241 114.554 -0.322 0.000 2.830 546 T HA 0.406 4.757 4.350 0.001 0.000 0.322 546 T C -2.180 172.345 174.700 -0.292 0.000 1.501 546 T CA -0.598 61.436 62.100 -0.110 0.000 1.036 546 T CB 0.649 69.554 68.868 0.062 0.000 1.379 546 T HN 0.580 nan 8.240 nan 0.000 0.493 547 Y N 2.417 122.714 120.300 -0.004 0.000 2.650 547 Y HA 0.583 5.133 4.550 0.001 0.000 0.343 547 Y C 0.834 176.741 175.900 0.012 0.000 1.078 547 Y CA -0.122 57.977 58.100 -0.001 0.000 1.356 547 Y CB 0.677 39.147 38.460 0.017 0.000 1.204 547 Y HN 0.620 nan 8.280 nan 0.000 0.508 548 E N 0.188 120.404 120.200 0.027 0.000 2.390 548 E HA 0.287 4.637 4.350 0.001 0.000 0.242 548 E C 0.350 176.965 176.600 0.025 0.000 0.907 548 E CA -0.560 55.866 56.400 0.043 0.000 0.884 548 E CB 1.182 30.906 29.700 0.040 0.000 1.788 548 E HN 0.295 nan 8.360 nan 0.000 0.427 549 E N 0.550 120.765 120.200 0.024 0.000 2.079 549 E HA 0.029 4.380 4.350 0.001 0.000 0.191 549 E C -0.163 176.444 176.600 0.012 0.000 0.961 549 E CA 0.616 57.031 56.400 0.024 0.000 0.823 549 E CB 0.187 29.904 29.700 0.028 0.000 0.789 549 E HN 0.343 nan 8.360 nan 0.000 0.459 550 E N 0.228 120.431 120.200 0.005 0.000 2.249 550 E HA 0.187 4.538 4.350 0.001 0.000 0.280 550 E C -1.173 175.420 176.600 -0.011 0.000 1.016 550 E CA -0.282 56.120 56.400 0.002 0.000 0.830 550 E CB 1.309 31.012 29.700 0.005 0.000 1.081 550 E HN 0.034 nan 8.360 nan 0.000 0.395 551 C N 4.221 123.524 119.300 0.005 0.000 2.382 551 C HA 0.377 4.838 4.460 0.001 0.000 0.327 551 C C 0.334 175.343 174.990 0.032 0.000 1.250 551 C CA -0.295 58.736 59.018 0.021 0.000 1.707 551 C CB 0.277 28.052 27.740 0.059 0.000 2.272 551 C HN 0.927 nan 8.230 nan 0.000 0.506 552 E N 3.108 123.330 120.200 0.037 0.000 2.548 552 E HA 0.147 4.498 4.350 0.001 0.000 0.206 552 E C 1.413 178.032 176.600 0.032 0.000 1.005 552 E CA 0.211 56.624 56.400 0.021 0.000 0.951 552 E CB 0.546 30.240 29.700 -0.011 0.000 1.035 552 E HN 0.786 nan 8.360 nan 0.000 0.470 553 A N 2.281 125.150 122.820 0.081 0.000 1.877 553 A HA -0.196 4.124 4.320 0.001 0.000 0.216 553 A C 0.876 178.471 177.584 0.019 0.000 1.186 553 A CA 0.770 52.834 52.037 0.045 0.000 0.620 553 A CB -0.397 18.651 19.000 0.079 0.000 0.822 553 A HN 0.339 nan 8.150 nan 0.000 0.443 554 N N -0.558 118.161 118.700 0.031 0.000 2.686 554 N HA -0.115 4.626 4.740 0.001 0.000 0.261 554 N C -2.543 172.977 175.510 0.017 0.000 1.001 554 N CA 1.149 54.211 53.050 0.020 0.000 0.764 554 N CB -1.855 36.640 38.487 0.013 0.000 0.898 554 N HN 0.409 nan 8.380 nan 0.000 0.544 555 P HA 0.068 nan 4.420 nan 0.000 0.269 555 P C 0.275 177.585 177.300 0.017 0.000 1.209 555 P CA -0.076 63.038 63.100 0.023 0.000 0.776 555 P CB 0.527 32.241 31.700 0.023 0.000 0.876 556 S N -0.127 115.584 115.700 0.019 0.000 2.580 556 S HA 0.234 4.705 4.470 0.001 0.000 0.274 556 S C 1.077 175.685 174.600 0.014 0.000 1.329 556 S CA 0.135 58.344 58.200 0.015 0.000 1.036 556 S CB 0.257 63.467 63.200 0.017 0.000 0.919 556 S HN 0.637 nan 8.310 nan 0.000 0.515 557 T N -2.025 112.535 114.554 0.010 0.000 3.023 557 T HA 0.118 4.469 4.350 0.001 0.000 0.253 557 T C 0.934 175.638 174.700 0.008 0.000 1.038 557 T CA 0.283 62.388 62.100 0.008 0.000 0.962 557 T CB -0.170 68.702 68.868 0.006 0.000 1.018 557 T HN 0.529 nan 8.240 nan 0.000 0.521 558 D N 2.335 122.739 120.400 0.008 0.000 2.077 558 D HA -0.029 4.612 4.640 0.001 0.000 0.193 558 D C 1.301 177.603 176.300 0.003 0.000 0.989 558 D CA 1.139 55.142 54.000 0.004 0.000 0.831 558 D CB 0.201 41.005 40.800 0.006 0.000 0.979 558 D HN 0.506 nan 8.370 nan 0.000 0.449 559 R N -0.037 120.469 120.500 0.010 0.000 2.719 559 R HA 0.510 4.851 4.340 0.001 0.000 0.233 559 R C -0.146 176.173 176.300 0.032 0.000 1.257 559 R CA -0.677 55.429 56.100 0.011 0.000 1.109 559 R CB 0.339 30.649 30.300 0.016 0.000 1.447 559 R HN 0.058 nan 8.270 nan 0.000 0.537 560 E N 1.476 121.706 120.200 0.050 0.000 2.081 560 E HA 0.207 4.558 4.350 0.001 0.000 0.281 560 E C -0.956 175.776 176.600 0.219 0.000 0.986 560 E CA -0.401 56.073 56.400 0.123 0.000 0.796 560 E CB 1.350 31.145 29.700 0.159 0.000 1.085 560 E HN 0.160 nan 8.360 nan 0.000 0.398 561 K N 2.890 123.375 120.400 0.141 0.000 2.110 561 K HA 0.501 4.821 4.320 0.001 0.000 0.263 561 K C -0.254 176.378 176.600 0.052 0.000 0.975 561 K CA -0.483 55.869 56.287 0.109 0.000 0.895 561 K CB 1.492 34.026 32.500 0.056 0.000 1.060 561 K HN 0.382 nan 8.250 nan 0.000 0.448 562 I N 3.099 123.674 120.570 0.008 0.000 2.436 562 I HA 0.299 4.469 4.170 0.001 0.000 0.289 562 I C -0.664 175.416 176.117 -0.062 0.000 1.010 562 I CA -0.705 60.535 61.300 -0.099 0.000 1.098 562 I CB 1.742 39.579 38.000 -0.272 0.000 1.266 562 I HN 0.570 nan 8.210 nan 0.000 0.434 563 M N 6.811 126.367 119.600 -0.073 0.000 2.238 563 M HA 0.517 4.998 4.480 0.001 0.000 0.350 563 M C -1.458 174.800 176.300 -0.070 0.000 1.138 563 M CA -0.517 54.750 55.300 -0.054 0.000 1.040 563 M CB 1.621 34.185 32.600 -0.059 0.000 1.639 563 M HN 0.331 nan 8.290 nan 0.000 0.451 564 V N 6.629 126.517 119.914 -0.043 0.000 2.409 564 V HA 0.391 4.512 4.120 0.001 0.000 0.291 564 V C -0.347 175.735 176.094 -0.019 0.000 1.020 564 V CA -0.739 61.538 62.300 -0.039 0.000 0.848 564 V CB 1.409 33.226 31.823 -0.010 0.000 0.990 564 V HN 0.784 nan 8.190 nan 0.000 0.430 565 L N 4.814 126.023 121.223 -0.022 0.000 2.260 565 L HA 0.582 4.923 4.340 0.001 0.000 0.289 565 L C 1.120 177.991 176.870 0.003 0.000 1.057 565 L CA -0.069 54.760 54.840 -0.018 0.000 0.811 565 L CB 1.012 43.054 42.059 -0.028 0.000 1.184 565 L HN 0.778 nan 8.230 nan 0.000 0.429 566 G N 1.630 110.422 108.800 -0.014 0.000 2.621 566 G HA2 0.345 4.306 3.960 0.001 0.000 0.271 566 G HA3 0.345 4.306 3.960 0.001 0.000 0.271 566 G C 0.834 175.722 174.900 -0.021 0.000 1.236 566 G CA 0.055 45.148 45.100 -0.012 0.000 0.958 566 G HN 0.776 nan 8.290 nan 0.000 0.512 567 G N -1.749 107.042 108.800 -0.016 0.000 3.088 567 G HA2 0.509 4.469 3.960 0.001 0.000 0.217 567 G HA3 0.509 4.469 3.960 0.001 0.000 0.217 567 G C 0.985 175.857 174.900 -0.047 0.000 1.159 567 G CA 0.852 45.930 45.100 -0.037 0.000 0.760 567 G HN 1.888 nan 8.290 nan 0.000 0.550 568 G N 0.479 109.246 108.800 -0.055 0.000 2.584 568 G HA2 -0.124 3.837 3.960 0.001 0.000 0.229 568 G HA3 -0.124 3.837 3.960 0.001 0.000 0.229 568 G C -2.660 172.215 174.900 -0.042 0.000 1.320 568 G CA -0.346 44.721 45.100 -0.056 0.000 0.891 568 G HN 0.336 nan 8.290 nan 0.000 0.573 569 P HA 0.240 nan 4.420 nan 0.000 0.272 569 P C -0.071 177.216 177.300 -0.022 0.000 1.223 569 P CA -0.143 62.942 63.100 -0.026 0.000 0.784 569 P CB 0.243 31.929 31.700 -0.023 0.000 0.923 570 N N 1.584 120.271 118.700 -0.021 0.000 2.503 570 N HA 0.442 5.183 4.740 0.001 0.000 0.267 570 N C 0.038 175.536 175.510 -0.019 0.000 1.214 570 N CA -0.221 52.827 53.050 -0.005 0.000 0.959 570 N CB 0.451 38.940 38.487 0.002 0.000 1.142 570 N HN 0.335 nan 8.380 nan 0.000 0.455 571 R N 0.116 120.614 120.500 -0.003 0.000 2.752 571 R HA 0.418 4.759 4.340 0.001 0.000 0.271 571 R C -1.047 175.255 176.300 0.003 0.000 1.026 571 R CA -0.749 55.345 56.100 -0.011 0.000 0.901 571 R CB 1.043 31.332 30.300 -0.019 0.000 1.243 571 R HN 0.416 nan 8.270 nan 0.000 0.463 572 I N 2.175 122.744 120.570 -0.003 0.000 2.664 572 I HA 0.125 4.296 4.170 0.001 0.000 0.284 572 I C 1.038 177.139 176.117 -0.025 0.000 1.154 572 I CA 1.660 62.955 61.300 -0.009 0.000 1.402 572 I CB 0.378 38.373 38.000 -0.008 0.000 1.395 572 I HN 1.006 nan 8.210 nan 0.000 0.545 573 G N 5.019 113.823 108.800 0.007 0.000 2.232 573 G HA2 -0.192 3.769 3.960 0.001 0.000 0.226 573 G HA3 -0.192 3.769 3.960 0.001 0.000 0.226 573 G C 0.310 175.310 174.900 0.167 0.000 0.996 573 G CA -0.466 44.654 45.100 0.033 0.000 0.626 573 G HN 0.526 nan 8.290 nan 0.000 0.509 574 Q N 1.030 120.914 119.800 0.140 0.000 2.928 574 Q HA 0.515 4.856 4.340 0.001 0.000 0.353 574 Q C 0.733 176.889 176.000 0.260 0.000 0.870 574 Q CA 0.372 56.283 55.803 0.179 0.000 0.963 574 Q CB 0.829 29.549 28.738 -0.031 0.000 1.419 574 Q HN 0.571 nan 8.270 nan 0.000 0.396 575 G N 0.136 109.124 108.800 0.312 0.000 2.695 575 G HA2 0.299 4.260 3.960 0.001 0.000 0.213 575 G HA3 0.299 4.260 3.960 0.001 0.000 0.213 575 G C 0.795 175.770 174.900 0.126 0.000 1.406 575 G CA -0.589 44.600 45.100 0.147 0.000 1.049 575 G HN 0.418 nan 8.290 nan 0.000 0.573 576 I N 0.020 120.607 120.570 0.030 0.000 2.502 576 I HA -0.180 3.991 4.170 0.001 0.000 0.258 576 I C 2.484 178.583 176.117 -0.030 0.000 1.172 576 I CA 1.493 62.803 61.300 0.017 0.000 1.430 576 I CB 0.006 38.013 38.000 0.011 0.000 1.086 576 I HN 0.518 nan 8.210 nan 0.000 0.440 577 E N 0.544 120.635 120.200 -0.182 0.000 2.077 577 E HA -0.223 4.128 4.350 0.001 0.000 0.193 577 E C 1.834 178.206 176.600 -0.381 0.000 0.989 577 E CA 1.686 57.850 56.400 -0.394 0.000 0.800 577 E CB -0.378 28.924 29.700 -0.663 0.000 0.746 577 E HN 0.507 nan 8.360 nan 0.000 0.452 578 F N 0.545 120.491 119.950 -0.006 0.000 2.206 578 F HA -0.047 4.480 4.527 0.001 0.000 0.298 578 F C 2.046 177.864 175.800 0.030 0.000 1.090 578 F CA 1.154 59.156 58.000 0.003 0.000 1.323 578 F CB -0.463 38.539 39.000 0.004 0.000 1.028 578 F HN -0.012 nan 8.300 nan 0.000 0.492 579 D N -0.980 119.526 120.400 0.177 0.000 2.144 579 D HA -0.263 4.378 4.640 0.001 0.000 0.199 579 D C 2.123 178.478 176.300 0.092 0.000 0.984 579 D CA 0.951 55.022 54.000 0.118 0.000 0.834 579 D CB -0.243 40.605 40.800 0.079 0.000 0.955 579 D HN 0.296 nan 8.370 nan 0.000 0.465 580 Y N 0.485 120.729 120.300 -0.092 0.000 2.165 580 Y HA -0.275 4.275 4.550 0.002 0.000 0.286 580 Y C 2.155 177.909 175.900 -0.243 0.000 1.155 580 Y CA 1.481 59.466 58.100 -0.191 0.000 1.164 580 Y CB -0.546 37.775 38.460 -0.232 0.000 0.978 580 Y HN 0.132 nan 8.280 nan 0.000 0.513 581 C N -0.812 118.534 119.300 0.075 0.000 2.425 581 C HA -0.208 4.253 4.460 0.001 0.000 0.277 581 C C 2.996 178.056 174.990 0.116 0.000 1.280 581 C CA 0.997 59.986 59.018 -0.048 0.000 1.744 581 C CB -1.768 25.804 27.740 -0.279 0.000 1.989 581 C HN 0.785 nan 8.230 nan 0.000 0.491 582 C N 0.180 119.573 119.300 0.156 0.000 2.432 582 C HA -0.095 4.366 4.460 0.001 0.000 0.277 582 C C 2.763 177.832 174.990 0.131 0.000 1.249 582 C CA 1.130 60.274 59.018 0.210 0.000 1.725 582 C CB -1.316 26.510 27.740 0.143 0.000 2.028 582 C HN 0.536 nan 8.230 nan 0.000 0.477 583 V N -0.202 119.733 119.914 0.034 0.000 2.332 583 V HA -0.283 3.838 4.120 0.001 0.000 0.248 583 V C 2.224 178.366 176.094 0.081 0.000 1.055 583 V CA 2.168 64.471 62.300 0.006 0.000 1.038 583 V CB -0.936 30.840 31.823 -0.079 0.000 0.651 583 V HN 0.678 nan 8.190 nan 0.000 0.450 584 H N -0.642 118.372 119.070 -0.093 0.000 2.357 584 H HA -0.088 4.469 4.556 0.001 0.000 0.301 584 H C 2.353 177.707 175.328 0.044 0.000 1.082 584 H CA 0.954 56.960 56.048 -0.070 0.000 1.342 584 H CB 0.057 29.756 29.762 -0.103 0.000 1.389 584 H HN 0.478 nan 8.280 nan 0.000 0.511 585 A N 0.195 123.184 122.820 0.282 0.000 1.883 585 A HA -0.236 4.085 4.320 0.001 0.000 0.217 585 A C 2.518 180.154 177.584 0.087 0.000 1.186 585 A CA 1.966 54.127 52.037 0.206 0.000 0.624 585 A CB -0.873 18.235 19.000 0.180 0.000 0.822 585 A HN 0.355 nan 8.150 nan 0.000 0.444 586 S N -0.576 115.174 115.700 0.084 0.000 2.348 586 S HA -0.101 4.370 4.470 0.001 0.000 0.221 586 S C 1.947 176.577 174.600 0.048 0.000 1.033 586 S CA 1.494 59.724 58.200 0.050 0.000 1.010 586 S CB -0.508 62.718 63.200 0.045 0.000 0.891 586 S HN 0.482 nan 8.310 nan 0.000 0.442 587 L N 1.012 122.264 121.223 0.048 0.000 2.046 587 L HA -0.104 4.237 4.340 0.001 0.000 0.208 587 L C 2.906 179.786 176.870 0.017 0.000 1.077 587 L CA 1.353 56.208 54.840 0.026 0.000 0.747 587 L CB -0.778 41.286 42.059 0.009 0.000 0.896 587 L HN 0.383 nan 8.230 nan 0.000 0.432 588 A N 0.210 123.036 122.820 0.011 0.000 1.902 588 A HA -0.129 4.192 4.320 0.001 0.000 0.217 588 A C 2.229 179.849 177.584 0.060 0.000 1.181 588 A CA 1.394 53.439 52.037 0.014 0.000 0.623 588 A CB -0.653 18.352 19.000 0.008 0.000 0.818 588 A HN 0.377 nan 8.150 nan 0.000 0.443 589 L N -1.379 119.887 121.223 0.071 0.000 2.217 589 L HA -0.049 4.292 4.340 0.001 0.000 0.211 589 L C 2.699 179.697 176.870 0.213 0.000 1.107 589 L CA 1.197 56.124 54.840 0.146 0.000 0.783 589 L CB -0.409 41.653 42.059 0.004 0.000 0.919 589 L HN 0.448 nan 8.230 nan 0.000 0.442 590 R N 0.774 121.346 120.500 0.120 0.000 2.073 590 R HA -0.210 4.131 4.340 0.001 0.000 0.229 590 R C 2.205 178.548 176.300 0.071 0.000 1.120 590 R CA 1.592 57.751 56.100 0.098 0.000 0.967 590 R CB 0.017 30.355 30.300 0.063 0.000 0.862 590 R HN 0.218 nan 8.270 nan 0.000 0.436 591 E N 0.458 120.692 120.200 0.056 0.000 2.153 591 E HA -0.186 4.165 4.350 0.001 0.000 0.194 591 E C 1.027 177.647 176.600 0.034 0.000 0.988 591 E CA 1.784 58.205 56.400 0.034 0.000 0.811 591 E CB -0.039 29.673 29.700 0.020 0.000 0.746 591 E HN 0.310 nan 8.360 nan 0.000 0.466 592 D N -1.457 118.983 120.400 0.068 0.000 2.277 592 D HA 0.078 4.719 4.640 0.001 0.000 0.208 592 D C 1.094 177.381 176.300 -0.022 0.000 0.962 592 D CA 1.251 55.288 54.000 0.062 0.000 0.865 592 D CB 0.508 41.411 40.800 0.173 0.000 0.939 592 D HN 0.369 nan 8.370 nan 0.000 0.510 593 G N -1.349 107.448 108.800 -0.004 0.000 2.205 593 G HA2 -0.222 3.739 3.960 0.001 0.000 0.180 593 G HA3 -0.222 3.739 3.960 0.001 0.000 0.180 593 G C -0.078 174.739 174.900 -0.137 0.000 1.004 593 G CA -0.509 44.532 45.100 -0.097 0.000 0.670 593 G HN 0.228 nan 8.290 nan 0.000 0.496 594 Y N 0.783 121.084 120.300 0.002 0.000 2.326 594 Y HA 0.551 5.102 4.550 0.001 0.000 0.324 594 Y C 0.917 176.820 175.900 0.005 0.000 1.291 594 Y CA -0.292 57.809 58.100 0.002 0.000 1.348 594 Y CB 0.754 39.213 38.460 -0.001 0.000 1.294 594 Y HN 0.153 nan 8.280 nan 0.000 0.525 595 E N 1.292 121.607 120.200 0.191 0.000 2.152 595 E HA 0.161 4.512 4.350 0.001 0.000 0.285 595 E C -0.937 175.729 176.600 0.111 0.000 1.043 595 E CA -0.530 55.938 56.400 0.113 0.000 0.839 595 E CB 0.480 30.227 29.700 0.078 0.000 1.069 595 E HN 0.644 nan 8.360 nan 0.000 0.399 596 T N 2.717 117.323 114.554 0.086 0.000 2.767 596 T HA 0.489 4.840 4.350 0.001 0.000 0.288 596 T C 0.086 174.819 174.700 0.056 0.000 0.963 596 T CA -0.703 61.432 62.100 0.059 0.000 1.019 596 T CB 0.407 69.305 68.868 0.050 0.000 0.923 596 T HN 0.321 nan 8.240 nan 0.000 0.468 597 I N 3.703 124.303 120.570 0.050 0.000 2.378 597 I HA 0.450 4.621 4.170 0.001 0.000 0.291 597 I C -0.189 175.968 176.117 0.068 0.000 0.992 597 I CA -0.988 60.362 61.300 0.084 0.000 1.154 597 I CB 1.922 39.984 38.000 0.103 0.000 1.315 597 I HN 0.586 nan 8.210 nan 0.000 0.448 598 M N 7.668 127.319 119.600 0.084 0.000 2.268 598 M HA 0.526 5.007 4.480 0.001 0.000 0.344 598 M C -1.441 174.905 176.300 0.076 0.000 1.106 598 M CA -0.374 54.957 55.300 0.052 0.000 1.010 598 M CB 1.574 34.187 32.600 0.021 0.000 1.649 598 M HN 0.274 nan 8.290 nan 0.000 0.443 599 V N 5.611 125.542 119.914 0.029 0.000 2.326 599 V HA 0.690 4.811 4.120 0.001 0.000 0.281 599 V C -0.540 175.519 176.094 -0.059 0.000 1.015 599 V CA -0.558 61.750 62.300 0.014 0.000 0.823 599 V CB 0.901 32.723 31.823 -0.003 0.000 1.009 599 V HN 0.931 nan 8.190 nan 0.000 0.436 600 N N 2.649 121.259 118.700 -0.150 0.000 3.127 600 N HA 0.454 5.195 4.740 0.001 0.000 0.239 600 N C -0.457 174.696 175.510 -0.595 0.000 1.407 600 N CA -0.226 52.667 53.050 -0.261 0.000 0.891 600 N CB 2.071 40.430 38.487 -0.212 0.000 1.447 600 N HN 0.662 nan 8.380 nan 0.000 0.507 601 C N -0.260 118.700 119.300 -0.566 0.000 3.395 601 C HA 0.509 4.969 4.460 0.001 0.000 0.264 601 C C 0.003 174.799 174.990 -0.323 0.000 2.141 601 C CA -1.008 57.511 59.018 -0.831 0.000 1.689 601 C CB -1.550 26.061 27.740 -0.216 0.000 3.416 601 C HN 0.562 nan 8.230 nan 0.000 0.432 602 N N 3.064 121.601 118.700 -0.273 0.000 2.420 602 N HA 0.338 5.078 4.740 0.001 0.000 0.249 602 N C -1.153 174.381 175.510 0.040 0.000 1.033 602 N CA -2.107 50.907 53.050 -0.059 0.000 0.944 602 N CB 1.692 40.135 38.487 -0.073 0.000 1.113 602 N HN 0.241 nan 8.380 nan 0.000 0.502 603 P HA -0.067 nan 4.420 nan 0.000 0.223 603 P C 0.129 177.370 177.300 -0.100 0.000 1.151 603 P CA 1.174 64.357 63.100 0.137 0.000 0.787 603 P CB 0.392 32.147 31.700 0.092 0.000 0.788 604 E N -0.207 119.933 120.200 -0.100 0.000 2.481 604 E HA 0.002 4.353 4.350 0.001 0.000 0.195 604 E C 0.825 177.334 176.600 -0.152 0.000 1.047 604 E CA 0.388 56.698 56.400 -0.150 0.000 0.867 604 E CB -0.269 29.370 29.700 -0.101 0.000 0.858 604 E HN 0.377 nan 8.360 nan 0.000 0.513 605 T N -2.559 111.908 114.554 -0.145 0.000 2.902 605 T HA 0.224 4.575 4.350 0.001 0.000 0.280 605 T C 1.242 175.908 174.700 -0.058 0.000 0.992 605 T CA -0.806 61.252 62.100 -0.070 0.000 1.015 605 T CB 1.906 70.745 68.868 -0.048 0.000 1.044 605 T HN -0.218 nan 8.240 nan 0.000 0.520 606 V N 1.709 121.654 119.914 0.051 0.000 2.719 606 V HA -0.104 4.017 4.120 0.001 0.000 0.252 606 V C 3.007 179.107 176.094 0.009 0.000 1.065 606 V CA 1.857 64.216 62.300 0.098 0.000 1.086 606 V CB -0.894 30.974 31.823 0.076 0.000 0.700 606 V HN 1.106 nan 8.190 nan 0.000 0.467 607 S N 1.096 116.785 115.700 -0.017 0.000 2.400 607 S HA -0.210 4.261 4.470 0.001 0.000 0.232 607 S C 1.764 176.325 174.600 -0.065 0.000 1.025 607 S CA 1.820 60.000 58.200 -0.033 0.000 0.993 607 S CB -0.857 62.326 63.200 -0.029 0.000 0.808 607 S HN 0.713 nan 8.310 nan 0.000 0.478 608 T N -0.998 113.501 114.554 -0.092 0.000 3.244 608 T HA 0.230 4.581 4.350 0.001 0.000 0.254 608 T C -0.136 174.487 174.700 -0.127 0.000 1.024 608 T CA -0.348 61.698 62.100 -0.091 0.000 0.920 608 T CB -0.261 68.601 68.868 -0.010 0.000 1.042 608 T HN 0.292 nan 8.240 nan 0.000 0.572 609 D N 1.466 121.792 120.400 -0.123 0.000 2.280 609 D HA 0.103 4.744 4.640 0.001 0.000 0.243 609 D C 1.064 177.214 176.300 -0.251 0.000 1.129 609 D CA -1.030 52.867 54.000 -0.172 0.000 0.848 609 D CB 0.856 41.657 40.800 0.001 0.000 1.107 609 D HN 0.431 nan 8.370 nan 0.000 0.471 610 Y N 1.953 122.177 120.300 -0.126 0.000 2.465 610 Y HA -0.087 4.464 4.550 0.001 0.000 0.289 610 Y C 1.229 177.110 175.900 -0.032 0.000 1.150 610 Y CA 0.674 58.696 58.100 -0.130 0.000 1.293 610 Y CB -0.400 37.989 38.460 -0.119 0.000 0.977 610 Y HN 0.236 nan 8.280 nan 0.000 0.556 611 D N 0.331 120.607 120.400 -0.205 0.000 2.224 611 D HA -0.095 4.545 4.640 0.001 0.000 0.205 611 D C 1.818 178.118 176.300 -0.000 0.000 0.965 611 D CA 1.607 55.592 54.000 -0.026 0.000 0.852 611 D CB -0.213 40.531 40.800 -0.094 0.000 0.947 611 D HN 0.475 nan 8.370 nan 0.000 0.494 612 T N 0.042 114.578 114.554 -0.029 0.000 2.881 612 T HA -0.057 4.294 4.350 0.001 0.000 0.270 612 T C 1.220 175.931 174.700 0.018 0.000 1.068 612 T CA 0.888 62.986 62.100 -0.005 0.000 1.131 612 T CB 0.081 68.941 68.868 -0.014 0.000 0.871 612 T HN 0.220 nan 8.240 nan 0.000 0.479 613 S N -0.474 115.243 115.700 0.028 0.000 2.720 613 S HA 0.413 4.884 4.470 0.001 0.000 0.287 613 S C -0.007 174.623 174.600 0.050 0.000 1.168 613 S CA -0.946 57.277 58.200 0.039 0.000 0.832 613 S CB 1.551 64.772 63.200 0.034 0.000 1.166 613 S HN -0.076 nan 8.310 nan 0.000 0.493 614 D N 0.579 121.009 120.400 0.050 0.000 2.162 614 D HA 0.096 4.737 4.640 0.001 0.000 0.203 614 D C 0.227 176.550 176.300 0.039 0.000 0.967 614 D CA 1.086 55.115 54.000 0.049 0.000 0.840 614 D CB 0.139 40.969 40.800 0.049 0.000 0.972 614 D HN 0.414 nan 8.370 nan 0.000 0.482 615 R N -0.001 120.520 120.500 0.036 0.000 2.621 615 R HA 0.535 4.876 4.340 0.001 0.000 0.284 615 R C -1.295 175.011 176.300 0.011 0.000 0.998 615 R CA -0.821 55.277 56.100 -0.003 0.000 0.895 615 R CB 2.440 32.741 30.300 0.003 0.000 1.195 615 R HN -0.100 nan 8.270 nan 0.000 0.450 616 L N 2.609 123.802 121.223 -0.051 0.000 2.376 616 L HA 0.447 4.788 4.340 0.001 0.000 0.275 616 L C -1.791 175.067 176.870 -0.020 0.000 0.987 616 L CA -0.556 54.291 54.840 0.011 0.000 0.828 616 L CB 1.247 43.304 42.059 -0.003 0.000 1.249 616 L HN 0.539 nan 8.230 nan 0.000 0.409 617 Y N 5.189 125.549 120.300 0.100 0.000 2.402 617 Y HA 0.349 4.900 4.550 0.001 0.000 0.332 617 Y C -0.482 175.531 175.900 0.188 0.000 0.960 617 Y CA -0.168 58.020 58.100 0.145 0.000 1.228 617 Y CB 1.240 39.719 38.460 0.032 0.000 1.120 617 Y HN 0.550 nan 8.280 nan 0.000 0.491 618 F N 5.018 125.159 119.950 0.319 0.000 2.619 618 F HA 0.261 4.788 4.527 0.001 0.000 0.350 618 F C -0.079 175.861 175.800 0.234 0.000 1.259 618 F CA -0.072 58.086 58.000 0.264 0.000 1.204 618 F CB -0.257 38.956 39.000 0.354 0.000 1.556 618 F HN 0.418 nan 8.300 nan 0.000 0.650 619 E N 4.410 124.713 120.200 0.172 0.000 2.393 619 E HA 0.351 4.702 4.350 0.001 0.000 0.273 619 E C -2.730 173.911 176.600 0.068 0.000 0.918 619 E CA -2.316 54.200 56.400 0.194 0.000 0.773 619 E CB 1.600 31.437 29.700 0.228 0.000 1.275 619 E HN 0.092 nan 8.360 nan 0.000 0.451 620 P HA 0.029 nan 4.420 nan 0.000 0.268 620 P C -0.027 177.287 177.300 0.023 0.000 1.204 620 P CA -0.133 62.993 63.100 0.044 0.000 0.768 620 P CB 0.348 32.084 31.700 0.060 0.000 0.842 621 V N 3.955 123.865 119.914 -0.006 0.000 2.149 621 V HA 0.141 4.262 4.120 0.001 0.000 0.245 621 V C 0.992 177.084 176.094 -0.005 0.000 1.349 621 V CA 0.330 62.622 62.300 -0.013 0.000 1.289 621 V CB -1.371 30.433 31.823 -0.033 0.000 1.401 621 V HN 0.709 nan 8.190 nan 0.000 0.501 622 T N -0.164 114.396 114.554 0.010 0.000 2.888 622 T HA 0.550 4.901 4.350 0.001 0.000 0.288 622 T C 0.664 175.371 174.700 0.012 0.000 1.063 622 T CA -0.694 61.413 62.100 0.012 0.000 1.010 622 T CB 1.961 70.845 68.868 0.027 0.000 1.214 622 T HN 0.084 nan 8.240 nan 0.000 0.533 623 L N 0.675 121.905 121.223 0.012 0.000 2.017 623 L HA 0.060 4.401 4.340 0.001 0.000 0.208 623 L C 2.696 179.581 176.870 0.025 0.000 1.073 623 L CA 2.252 57.099 54.840 0.011 0.000 0.745 623 L CB -0.777 41.288 42.059 0.010 0.000 0.894 623 L HN 0.975 nan 8.230 nan 0.000 0.432 624 E N -0.617 119.607 120.200 0.040 0.000 2.023 624 E HA -0.270 4.081 4.350 0.001 0.000 0.196 624 E C 1.743 178.386 176.600 0.072 0.000 1.003 624 E CA 1.807 58.245 56.400 0.063 0.000 0.809 624 E CB -0.210 29.537 29.700 0.078 0.000 0.755 624 E HN 0.580 nan 8.360 nan 0.000 0.449 625 D N 0.155 120.598 120.400 0.071 0.000 2.149 625 D HA -0.150 4.491 4.640 0.001 0.000 0.198 625 D C 2.139 178.462 176.300 0.039 0.000 0.990 625 D CA 1.129 55.177 54.000 0.080 0.000 0.839 625 D CB -0.051 40.804 40.800 0.091 0.000 0.948 625 D HN 0.165 nan 8.370 nan 0.000 0.460 626 V N 1.424 121.343 119.914 0.007 0.000 2.323 626 V HA -0.182 3.939 4.120 0.001 0.000 0.244 626 V C 2.709 178.772 176.094 -0.051 0.000 1.041 626 V CA 0.915 63.192 62.300 -0.038 0.000 1.025 626 V CB -0.423 31.380 31.823 -0.034 0.000 0.656 626 V HN 0.173 nan 8.190 nan 0.000 0.451 627 L N -0.298 120.916 121.223 -0.014 0.000 2.042 627 L HA -0.180 4.160 4.340 0.001 0.000 0.210 627 L C 2.758 179.624 176.870 -0.007 0.000 1.076 627 L CA 1.432 56.267 54.840 -0.008 0.000 0.749 627 L CB -0.651 41.420 42.059 0.020 0.000 0.893 627 L HN 0.357 nan 8.230 nan 0.000 0.432 628 E N 0.207 120.427 120.200 0.033 0.000 2.110 628 E HA -0.176 4.174 4.350 0.001 0.000 0.193 628 E C 2.229 178.820 176.600 -0.016 0.000 0.988 628 E CA 1.205 57.644 56.400 0.064 0.000 0.804 628 E CB -0.115 29.681 29.700 0.159 0.000 0.745 628 E HN 0.568 nan 8.360 nan 0.000 0.458 629 I N 0.354 120.844 120.570 -0.135 0.000 2.202 629 I HA -0.215 3.956 4.170 0.001 0.000 0.242 629 I C 2.466 178.416 176.117 -0.278 0.000 1.091 629 I CA 0.627 61.682 61.300 -0.408 0.000 1.368 629 I CB -0.420 37.189 38.000 -0.651 0.000 1.058 629 I HN -0.091 nan 8.210 nan 0.000 0.410 630 V N 1.263 121.070 119.914 -0.178 0.000 2.324 630 V HA -0.336 3.785 4.120 0.001 0.000 0.250 630 V C 2.704 178.739 176.094 -0.098 0.000 1.060 630 V CA 2.222 64.448 62.300 -0.124 0.000 1.042 630 V CB -0.871 30.902 31.823 -0.084 0.000 0.650 630 V HN 0.453 nan 8.190 nan 0.000 0.450 631 R N 0.617 121.065 120.500 -0.086 0.000 2.113 631 R HA -0.235 4.106 4.340 0.001 0.000 0.244 631 R C 2.240 178.489 176.300 -0.084 0.000 1.142 631 R CA 2.765 58.816 56.100 -0.081 0.000 0.953 631 R CB -0.410 29.832 30.300 -0.097 0.000 0.860 631 R HN 0.730 nan 8.270 nan 0.000 0.438 632 I N -2.709 117.805 120.570 -0.094 0.000 2.867 632 I HA 0.078 4.248 4.170 0.001 0.000 0.265 632 I C 1.329 177.405 176.117 -0.068 0.000 1.162 632 I CA 0.593 61.851 61.300 -0.072 0.000 1.471 632 I CB -0.143 37.829 38.000 -0.048 0.000 1.123 632 I HN -0.017 nan 8.210 nan 0.000 0.440 633 E N 2.033 122.173 120.200 -0.100 0.000 2.285 633 E HA -0.056 4.295 4.350 0.001 0.000 0.194 633 E C 0.159 176.735 176.600 -0.040 0.000 0.997 633 E CA 0.228 56.590 56.400 -0.063 0.000 0.845 633 E CB -0.124 29.530 29.700 -0.077 0.000 0.782 633 E HN 0.518 nan 8.360 nan 0.000 0.491 634 K N 1.159 121.530 120.400 -0.049 0.000 3.278 634 K HA -0.150 4.171 4.320 0.001 0.000 0.270 634 K C -2.361 174.227 176.600 -0.021 0.000 0.955 634 K CA 0.203 56.471 56.287 -0.032 0.000 0.723 634 K CB -1.386 31.102 32.500 -0.021 0.000 1.382 634 K HN 0.234 nan 8.250 nan 0.000 0.461 635 P HA -0.055 nan 4.420 nan 0.000 0.269 635 P C 0.574 177.868 177.300 -0.010 0.000 1.215 635 P CA -0.120 62.970 63.100 -0.017 0.000 0.780 635 P CB 0.891 32.569 31.700 -0.037 0.000 0.898 636 K N 0.629 121.033 120.400 0.007 0.000 2.057 636 K HA -0.006 4.315 4.320 0.001 0.000 0.206 636 K C 0.948 177.536 176.600 -0.020 0.000 1.050 636 K CA 1.510 57.805 56.287 0.013 0.000 0.935 636 K CB -0.396 32.140 32.500 0.061 0.000 0.715 636 K HN 0.758 nan 8.250 nan 0.000 0.439 637 G N -0.619 108.149 108.800 -0.052 0.000 2.704 637 G HA2 0.476 4.437 3.960 0.001 0.000 0.293 637 G HA3 0.476 4.437 3.960 0.001 0.000 0.293 637 G C -1.809 173.036 174.900 -0.092 0.000 1.421 637 G CA -0.613 44.440 45.100 -0.078 0.000 0.870 637 G HN -0.053 nan 8.290 nan 0.000 0.492 638 V N 1.336 121.196 119.914 -0.090 0.000 2.531 638 V HA 0.447 4.568 4.120 0.001 0.000 0.301 638 V C -0.221 175.807 176.094 -0.110 0.000 1.034 638 V CA -0.594 61.651 62.300 -0.092 0.000 0.865 638 V CB 1.607 33.388 31.823 -0.071 0.000 0.995 638 V HN 0.653 nan 8.190 nan 0.000 0.424 639 I N 5.218 125.707 120.570 -0.135 0.000 2.315 639 I HA 0.267 4.438 4.170 0.001 0.000 0.291 639 I C 0.815 176.861 176.117 -0.119 0.000 1.006 639 I CA -0.256 60.938 61.300 -0.178 0.000 1.265 639 I CB 1.642 39.462 38.000 -0.299 0.000 1.387 639 I HN 0.603 nan 8.210 nan 0.000 0.475 640 V N 2.006 121.867 119.914 -0.088 0.000 3.477 640 V HA 0.194 4.315 4.120 0.001 0.000 0.297 640 V C 0.972 177.067 176.094 0.002 0.000 1.433 640 V CA 0.156 62.432 62.300 -0.039 0.000 1.052 640 V CB 0.119 31.921 31.823 -0.035 0.000 0.895 640 V HN 0.759 nan 8.190 nan 0.000 0.438 641 Q N -0.794 119.017 119.800 0.017 0.000 2.319 641 Q HA 0.332 4.673 4.340 0.001 0.000 0.202 641 Q C 1.173 177.397 176.000 0.373 0.000 0.896 641 Q CA 0.540 56.426 55.803 0.140 0.000 0.942 641 Q CB 0.111 28.934 28.738 0.140 0.000 1.083 641 Q HN 0.739 nan 8.270 nan 0.000 0.510 642 Y N -1.544 118.787 120.300 0.052 0.000 2.442 642 Y HA 0.378 4.929 4.550 0.001 0.000 0.250 642 Y C 1.817 177.800 175.900 0.139 0.000 1.113 642 Y CA -0.083 58.084 58.100 0.112 0.000 1.273 642 Y CB 0.245 38.760 38.460 0.092 0.000 1.138 642 Y HN 0.074 nan 8.280 nan 0.000 0.522 643 G N -0.330 108.586 108.800 0.193 0.000 3.314 643 G HA2 0.426 4.387 3.960 0.001 0.000 0.238 643 G HA3 0.426 4.387 3.960 0.001 0.000 0.238 643 G C 0.879 175.698 174.900 -0.135 0.000 1.184 643 G CA 0.459 45.610 45.100 0.085 0.000 0.806 643 G HN 0.554 nan 8.290 nan 0.000 0.536 644 G N -0.092 108.510 108.800 -0.330 0.000 2.568 644 G HA2 -0.250 3.711 3.960 0.001 0.000 0.222 644 G HA3 -0.250 3.711 3.960 0.001 0.000 0.222 644 G C 0.636 175.317 174.900 -0.365 0.000 1.321 644 G CA 0.244 44.880 45.100 -0.774 0.000 0.893 644 G HN 0.178 nan 8.290 nan 0.000 0.569 645 Q N -0.478 119.116 119.800 -0.344 0.000 2.124 645 Q HA 0.023 4.364 4.340 0.001 0.000 0.202 645 Q C 2.969 178.889 176.000 -0.132 0.000 0.977 645 Q CA 2.515 58.203 55.803 -0.192 0.000 0.850 645 Q CB -1.076 27.561 28.738 -0.169 0.000 0.901 645 Q HN 0.737 nan 8.270 nan 0.000 0.429 646 T N 1.706 116.179 114.554 -0.135 0.000 2.516 646 T HA -0.161 4.190 4.350 0.001 0.000 0.261 646 T C -1.114 173.546 174.700 -0.066 0.000 1.130 646 T CA 2.248 64.296 62.100 -0.088 0.000 1.193 646 T CB -1.278 67.540 68.868 -0.083 0.000 0.864 646 T HN 0.330 nan 8.240 nan 0.000 0.410 647 P HA 0.036 nan 4.420 nan 0.000 0.221 647 P C 1.697 178.972 177.300 -0.041 0.000 1.150 647 P CA 0.645 63.719 63.100 -0.043 0.000 0.800 647 P CB -0.215 31.466 31.700 -0.031 0.000 0.787 648 L N 0.222 121.414 121.223 -0.052 0.000 2.042 648 L HA -0.138 4.203 4.340 0.001 0.000 0.210 648 L C 2.325 179.171 176.870 -0.039 0.000 1.076 648 L CA 2.052 56.866 54.840 -0.044 0.000 0.749 648 L CB -0.941 41.082 42.059 -0.061 0.000 0.893 648 L HN -0.176 nan 8.230 nan 0.000 0.432 649 K N -1.142 119.231 120.400 -0.045 0.000 2.288 649 K HA -0.032 4.289 4.320 0.001 0.000 0.201 649 K C 1.862 178.445 176.600 -0.028 0.000 1.048 649 K CA 0.819 57.084 56.287 -0.037 0.000 0.956 649 K CB -0.053 32.423 32.500 -0.040 0.000 0.746 649 K HN 0.329 nan 8.250 nan 0.000 0.461 650 L N -0.052 121.154 121.223 -0.027 0.000 2.418 650 L HA 0.017 4.358 4.340 0.001 0.000 0.218 650 L C 2.328 179.186 176.870 -0.020 0.000 1.125 650 L CA 0.175 55.002 54.840 -0.022 0.000 0.835 650 L CB -0.507 41.538 42.059 -0.023 0.000 0.953 650 L HN 0.158 nan 8.230 nan 0.000 0.454 651 A N 1.137 123.944 122.820 -0.022 0.000 1.881 651 A HA -0.300 4.021 4.320 0.001 0.000 0.219 651 A C 2.413 179.987 177.584 -0.016 0.000 1.215 651 A CA 2.125 54.150 52.037 -0.020 0.000 0.648 651 A CB -0.543 18.446 19.000 -0.019 0.000 0.832 651 A HN 0.358 nan 8.150 nan 0.000 0.455 652 R N -0.938 119.554 120.500 -0.013 0.000 2.070 652 R HA -0.059 4.282 4.340 0.001 0.000 0.233 652 R C 2.598 178.892 176.300 -0.010 0.000 1.137 652 R CA 1.262 57.357 56.100 -0.010 0.000 0.945 652 R CB -0.581 29.714 30.300 -0.008 0.000 0.845 652 R HN 0.543 nan 8.270 nan 0.000 0.430 653 A N 1.514 124.328 122.820 -0.010 0.000 1.883 653 A HA -0.175 4.146 4.320 0.001 0.000 0.217 653 A C 2.242 179.820 177.584 -0.009 0.000 1.186 653 A CA 1.356 53.388 52.037 -0.008 0.000 0.624 653 A CB -0.721 18.275 19.000 -0.007 0.000 0.822 653 A HN 0.189 nan 8.150 nan 0.000 0.444 654 L N -0.968 120.248 121.223 -0.012 0.000 2.013 654 L HA -0.259 4.082 4.340 0.001 0.000 0.212 654 L C 2.729 179.590 176.870 -0.015 0.000 1.073 654 L CA 2.110 56.940 54.840 -0.015 0.000 0.753 654 L CB -0.555 41.491 42.059 -0.022 0.000 0.890 654 L HN 0.639 nan 8.230 nan 0.000 0.432 655 E N 0.153 120.345 120.200 -0.014 0.000 2.106 655 E HA -0.223 4.128 4.350 0.001 0.000 0.192 655 E C 2.203 178.798 176.600 -0.009 0.000 0.984 655 E CA 1.033 57.425 56.400 -0.012 0.000 0.806 655 E CB 0.009 29.703 29.700 -0.011 0.000 0.750 655 E HN 0.446 nan 8.360 nan 0.000 0.458 656 A N 1.186 124.002 122.820 -0.007 0.000 1.908 656 A HA -0.118 4.203 4.320 0.001 0.000 0.218 656 A C 2.312 179.893 177.584 -0.004 0.000 1.181 656 A CA 1.759 53.793 52.037 -0.005 0.000 0.627 656 A CB -0.720 18.277 19.000 -0.004 0.000 0.818 656 A HN 0.393 nan 8.150 nan 0.000 0.445 657 A N -1.886 120.932 122.820 -0.005 0.000 2.235 657 A HA 0.406 4.727 4.320 0.001 0.000 0.208 657 A C 1.712 179.293 177.584 -0.006 0.000 1.172 657 A CA 1.196 53.231 52.037 -0.003 0.000 0.786 657 A CB -1.049 17.951 19.000 -0.001 0.000 0.804 657 A HN 1.972 nan 8.150 nan 0.000 0.479 658 G N -1.563 107.232 108.800 -0.008 0.000 2.132 658 G HA2 -0.186 3.775 3.960 0.001 0.000 0.234 658 G HA3 -0.186 3.775 3.960 0.001 0.000 0.234 658 G C 0.116 175.007 174.900 -0.015 0.000 0.989 658 G CA 0.046 45.140 45.100 -0.009 0.000 0.676 658 G HN 0.762 nan 8.290 nan 0.000 0.522 659 V N 1.834 121.737 119.914 -0.018 0.000 2.614 659 V HA 0.392 4.513 4.120 0.001 0.000 0.291 659 V C -1.177 174.901 176.094 -0.026 0.000 1.049 659 V CA -0.994 61.291 62.300 -0.025 0.000 1.038 659 V CB 1.312 33.117 31.823 -0.030 0.000 0.980 659 V HN 0.206 nan 8.190 nan 0.000 0.481 660 P HA 0.141 nan 4.420 nan 0.000 0.249 660 P C -0.387 176.890 177.300 -0.038 0.000 1.737 660 P CA -0.038 63.045 63.100 -0.028 0.000 1.128 660 P CB 0.040 31.724 31.700 -0.027 0.000 1.942 661 V N 5.232 125.125 119.914 -0.035 0.000 2.470 661 V HA 0.079 4.200 4.120 0.001 0.000 0.276 661 V C 1.253 177.320 176.094 -0.044 0.000 1.040 661 V CA -0.226 62.049 62.300 -0.042 0.000 1.008 661 V CB 0.018 31.820 31.823 -0.034 0.000 0.990 661 V HN 0.344 nan 8.190 nan 0.000 0.477 662 I N 2.520 123.051 120.570 -0.064 0.000 2.918 662 I HA 0.999 5.170 4.170 0.001 0.000 0.316 662 I C 0.822 176.901 176.117 -0.063 0.000 1.001 662 I CA -0.057 61.205 61.300 -0.065 0.000 1.142 662 I CB 1.184 39.131 38.000 -0.088 0.000 1.356 662 I HN 0.842 nan 8.210 nan 0.000 0.524 663 G N 2.229 111.002 108.800 -0.046 0.000 2.593 663 G HA2 -0.199 3.762 3.960 0.001 0.000 0.237 663 G HA3 -0.199 3.762 3.960 0.001 0.000 0.237 663 G C -0.102 174.796 174.900 -0.004 0.000 1.312 663 G CA -0.218 44.865 45.100 -0.029 0.000 0.896 663 G HN 0.954 nan 8.290 nan 0.000 0.574 664 T N 1.611 116.172 114.554 0.012 0.000 2.871 664 T HA 0.416 4.767 4.350 0.001 0.000 0.296 664 T C 1.347 176.055 174.700 0.013 0.000 0.998 664 T CA 0.869 62.983 62.100 0.023 0.000 1.162 664 T CB 0.243 69.132 68.868 0.035 0.000 0.947 664 T HN 1.797 nan 8.240 nan 0.000 0.536 665 S N 4.663 120.372 115.700 0.016 0.000 2.566 665 S HA 0.076 4.547 4.470 0.001 0.000 0.280 665 S C -1.552 173.053 174.600 0.008 0.000 1.343 665 S CA -1.123 57.082 58.200 0.009 0.000 1.036 665 S CB 0.486 63.694 63.200 0.013 0.000 0.866 665 S HN 0.367 nan 8.310 nan 0.000 0.526 666 P HA -0.069 nan 4.420 nan 0.000 0.217 666 P C 0.970 178.273 177.300 0.005 0.000 1.150 666 P CA 1.495 64.595 63.100 -0.001 0.000 0.832 666 P CB -0.136 31.561 31.700 -0.006 0.000 0.787 667 D N -0.324 120.081 120.400 0.008 0.000 2.117 667 D HA -0.123 4.518 4.640 0.001 0.000 0.198 667 D C 1.947 178.260 176.300 0.021 0.000 0.982 667 D CA 1.281 55.289 54.000 0.012 0.000 0.828 667 D CB -0.504 40.304 40.800 0.013 0.000 0.967 667 D HN -0.038 nan 8.370 nan 0.000 0.464 668 A N 0.090 122.925 122.820 0.025 0.000 1.933 668 A HA -0.094 4.227 4.320 0.001 0.000 0.218 668 A C 2.342 179.947 177.584 0.035 0.000 1.175 668 A CA 1.016 53.075 52.037 0.037 0.000 0.628 668 A CB -0.768 18.256 19.000 0.039 0.000 0.814 668 A HN 0.381 nan 8.150 nan 0.000 0.444 669 I N -0.406 120.177 120.570 0.022 0.000 2.226 669 I HA -0.257 3.914 4.170 0.001 0.000 0.245 669 I C 2.260 178.383 176.117 0.009 0.000 1.100 669 I CA 1.901 63.209 61.300 0.013 0.000 1.374 669 I CB -0.353 37.649 38.000 0.005 0.000 1.057 669 I HN 0.381 nan 8.210 nan 0.000 0.413 670 D N 0.690 121.097 120.400 0.011 0.000 2.117 670 D HA -0.195 4.446 4.640 0.001 0.000 0.197 670 D C 2.378 178.695 176.300 0.028 0.000 0.987 670 D CA 1.201 55.207 54.000 0.010 0.000 0.829 670 D CB 0.036 40.840 40.800 0.007 0.000 0.961 670 D HN 0.029 nan 8.370 nan 0.000 0.460 671 R N -0.302 120.226 120.500 0.046 0.000 2.105 671 R HA -0.132 4.209 4.340 0.001 0.000 0.239 671 R C 2.085 178.467 176.300 0.136 0.000 1.135 671 R CA 1.316 57.465 56.100 0.083 0.000 0.967 671 R CB -0.301 30.053 30.300 0.089 0.000 0.861 671 R HN 0.257 nan 8.270 nan 0.000 0.442 672 A N 0.675 123.548 122.820 0.089 0.000 1.903 672 A HA -0.063 4.258 4.320 0.001 0.000 0.213 672 A C 1.810 179.346 177.584 -0.080 0.000 1.185 672 A CA 0.745 52.804 52.037 0.037 0.000 0.628 672 A CB -0.051 18.936 19.000 -0.022 0.000 0.830 672 A HN 0.163 nan 8.150 nan 0.000 0.446 673 E N 0.618 120.792 120.200 -0.045 0.000 2.274 673 E HA -0.080 4.271 4.350 0.001 0.000 0.194 673 E C -0.073 176.506 176.600 -0.034 0.000 0.996 673 E CA 0.347 56.709 56.400 -0.063 0.000 0.840 673 E CB -0.146 29.525 29.700 -0.047 0.000 0.772 673 E HN 0.571 nan 8.360 nan 0.000 0.491 674 D N 1.255 121.662 120.400 0.011 0.000 2.313 674 D HA 0.003 4.644 4.640 0.001 0.000 0.239 674 D C 1.347 177.699 176.300 0.087 0.000 1.142 674 D CA -0.250 53.767 54.000 0.029 0.000 0.847 674 D CB 0.878 41.690 40.800 0.019 0.000 1.082 674 D HN -0.084 nan 8.370 nan 0.000 0.480 675 R N 3.981 124.528 120.500 0.078 0.000 2.112 675 R HA -0.215 4.126 4.340 0.001 0.000 0.242 675 R C 1.337 177.746 176.300 0.182 0.000 1.137 675 R CA 1.092 57.279 56.100 0.146 0.000 0.944 675 R CB -0.761 29.592 30.300 0.088 0.000 0.857 675 R HN 0.559 nan 8.270 nan 0.000 0.435 676 E N 0.974 121.227 120.200 0.089 0.000 2.012 676 E HA -0.125 4.225 4.350 0.001 0.000 0.197 676 E C 2.285 178.891 176.600 0.010 0.000 1.007 676 E CA 1.062 57.485 56.400 0.037 0.000 0.816 676 E CB -0.180 29.489 29.700 -0.051 0.000 0.762 676 E HN 0.365 nan 8.360 nan 0.000 0.451 677 R N -0.268 120.223 120.500 -0.015 0.000 2.133 677 R HA -0.206 4.135 4.340 0.001 0.000 0.247 677 R C 2.327 178.696 176.300 0.114 0.000 1.151 677 R CA 1.623 57.721 56.100 -0.005 0.000 0.971 677 R CB -0.522 29.797 30.300 0.032 0.000 0.866 677 R HN 0.191 nan 8.270 nan 0.000 0.447 678 F N 2.019 121.979 119.950 0.017 0.000 2.113 678 F HA -0.164 4.364 4.527 0.001 0.000 0.297 678 F C 2.233 178.073 175.800 0.066 0.000 1.103 678 F CA 1.523 59.543 58.000 0.034 0.000 1.248 678 F CB -0.161 38.846 39.000 0.012 0.000 0.999 678 F HN -0.044 nan 8.300 nan 0.000 0.475 679 Q N -1.147 118.644 119.800 -0.015 0.000 2.170 679 Q HA -0.231 4.110 4.340 0.001 0.000 0.203 679 Q C 1.864 177.824 176.000 -0.067 0.000 0.976 679 Q CA 1.729 57.465 55.803 -0.112 0.000 0.858 679 Q CB -0.527 28.252 28.738 0.069 0.000 0.907 679 Q HN 0.496 nan 8.270 nan 0.000 0.433 680 H N 0.587 119.579 119.070 -0.129 0.000 2.353 680 H HA -0.027 4.530 4.556 0.001 0.000 0.300 680 H C 2.053 177.303 175.328 -0.129 0.000 1.090 680 H CA 1.458 57.449 56.048 -0.097 0.000 1.327 680 H CB -0.285 29.450 29.762 -0.045 0.000 1.383 680 H HN 0.358 nan 8.280 nan 0.000 0.508 681 A N 0.092 122.886 122.820 -0.042 0.000 1.902 681 A HA -0.134 4.187 4.320 0.001 0.000 0.217 681 A C 2.645 180.122 177.584 -0.179 0.000 1.181 681 A CA 1.695 53.674 52.037 -0.096 0.000 0.623 681 A CB -0.859 18.092 19.000 -0.081 0.000 0.818 681 A HN 0.246 nan 8.150 nan 0.000 0.443 682 V N 0.046 119.749 119.914 -0.351 0.000 2.287 682 V HA -0.291 3.830 4.120 0.001 0.000 0.248 682 V C 2.446 178.432 176.094 -0.179 0.000 1.053 682 V CA 2.288 64.402 62.300 -0.310 0.000 1.027 682 V CB -0.878 30.666 31.823 -0.466 0.000 0.646 682 V HN 0.618 nan 8.190 nan 0.000 0.447 683 E N -0.051 120.043 120.200 -0.177 0.000 2.049 683 E HA -0.333 4.018 4.350 0.001 0.000 0.198 683 E C 2.403 178.934 176.600 -0.114 0.000 1.007 683 E CA 1.920 58.231 56.400 -0.148 0.000 0.809 683 E CB -0.206 29.371 29.700 -0.205 0.000 0.749 683 E HN 0.387 nan 8.360 nan 0.000 0.450 684 R N 1.095 121.534 120.500 -0.101 0.000 2.096 684 R HA -0.130 4.211 4.340 0.001 0.000 0.240 684 R C 2.097 178.369 176.300 -0.047 0.000 1.139 684 R CA 1.395 57.458 56.100 -0.062 0.000 0.952 684 R CB -0.585 29.694 30.300 -0.035 0.000 0.854 684 R HN 0.180 nan 8.270 nan 0.000 0.436 685 L N 0.500 121.692 121.223 -0.051 0.000 2.610 685 L HA 0.071 4.412 4.340 0.001 0.000 0.232 685 L C 0.393 177.241 176.870 -0.036 0.000 1.149 685 L CA 0.600 55.421 54.840 -0.031 0.000 0.872 685 L CB -0.235 41.806 42.059 -0.029 0.000 0.992 685 L HN 0.310 nan 8.230 nan 0.000 0.447 686 K N -0.001 120.366 120.400 -0.055 0.000 3.129 686 K HA -0.182 4.139 4.320 0.001 0.000 0.273 686 K C -0.176 176.390 176.600 -0.057 0.000 1.123 686 K CA 0.358 56.612 56.287 -0.056 0.000 0.800 686 K CB -1.590 30.884 32.500 -0.043 0.000 1.238 686 K HN 0.279 nan 8.250 nan 0.000 0.492 687 L N -0.157 121.029 121.223 -0.063 0.000 2.472 687 L HA 0.377 4.718 4.340 0.001 0.000 0.256 687 L C 0.577 177.401 176.870 -0.077 0.000 1.111 687 L CA -0.904 53.903 54.840 -0.055 0.000 0.800 687 L CB 0.555 42.605 42.059 -0.016 0.000 1.286 687 L HN -0.008 nan 8.230 nan 0.000 0.479 688 K N 1.075 121.424 120.400 -0.085 0.000 2.265 688 K HA 0.340 4.661 4.320 0.001 0.000 0.267 688 K C -1.121 175.451 176.600 -0.046 0.000 0.994 688 K CA -0.385 55.820 56.287 -0.138 0.000 0.860 688 K CB 1.232 33.539 32.500 -0.321 0.000 1.099 688 K HN 0.471 nan 8.250 nan 0.000 0.448 689 Q N 4.094 123.904 119.800 0.016 0.000 2.423 689 Q HA 0.469 4.810 4.340 0.001 0.000 0.278 689 Q C -2.457 173.668 176.000 0.209 0.000 1.097 689 Q CA -2.332 53.549 55.803 0.130 0.000 0.809 689 Q CB 2.028 30.802 28.738 0.060 0.000 1.391 689 Q HN 0.430 nan 8.270 nan 0.000 0.428 690 P HA 0.123 nan 4.420 nan 0.000 0.272 690 P C -1.289 176.099 177.300 0.147 0.000 1.223 690 P CA -0.165 63.079 63.100 0.239 0.000 0.784 690 P CB 0.460 32.258 31.700 0.163 0.000 0.923 691 A N 2.596 125.487 122.820 0.119 0.000 2.445 691 A HA 0.408 4.728 4.320 0.001 0.000 0.242 691 A C 0.293 177.919 177.584 0.070 0.000 1.075 691 A CA 0.102 52.178 52.037 0.064 0.000 0.777 691 A CB -0.735 18.273 19.000 0.013 0.000 1.013 691 A HN 0.782 nan 8.150 nan 0.000 0.493 692 N N -0.816 117.913 118.700 0.048 0.000 2.732 692 N HA 0.789 5.530 4.740 0.001 0.000 0.259 692 N C -0.969 174.560 175.510 0.032 0.000 1.402 692 N CA -0.066 53.011 53.050 0.045 0.000 0.829 692 N CB 1.741 40.265 38.487 0.061 0.000 1.495 692 N HN 1.018 nan 8.380 nan 0.000 0.511 693 A N -0.520 122.318 122.820 0.031 0.000 2.594 693 A HA 0.761 5.081 4.320 0.001 0.000 0.295 693 A C -1.420 176.187 177.584 0.039 0.000 1.071 693 A CA -0.719 51.336 52.037 0.030 0.000 0.685 693 A CB 1.214 20.225 19.000 0.019 0.000 1.285 693 A HN 0.602 nan 8.150 nan 0.000 0.405 694 T N 1.295 115.874 114.554 0.041 0.000 2.758 694 T HA 0.568 4.919 4.350 0.001 0.000 0.285 694 T C -0.630 174.099 174.700 0.048 0.000 0.981 694 T CA -0.329 61.799 62.100 0.047 0.000 0.965 694 T CB 1.060 69.954 68.868 0.044 0.000 0.927 694 T HN 0.593 nan 8.240 nan 0.000 0.448 695 V N 3.552 123.506 119.914 0.068 0.000 2.604 695 V HA 0.351 4.472 4.120 0.001 0.000 0.305 695 V C 0.923 177.061 176.094 0.073 0.000 1.043 695 V CA -0.479 61.859 62.300 0.064 0.000 0.888 695 V CB 2.158 34.030 31.823 0.081 0.000 0.995 695 V HN 1.054 nan 8.190 nan 0.000 0.429 696 T N 2.308 116.882 114.554 0.034 0.000 2.914 696 T HA 0.306 4.657 4.350 0.001 0.000 0.240 696 T C 0.732 175.434 174.700 0.004 0.000 1.025 696 T CA 0.764 62.883 62.100 0.031 0.000 1.198 696 T CB 0.100 68.975 68.868 0.012 0.000 0.892 696 T HN 0.768 nan 8.240 nan 0.000 0.417 697 A N 0.245 123.036 122.820 -0.049 0.000 2.264 697 A HA 0.638 4.959 4.320 0.001 0.000 0.304 697 A C 1.116 178.542 177.584 -0.264 0.000 1.100 697 A CA -0.623 51.344 52.037 -0.116 0.000 0.839 697 A CB 0.131 19.081 19.000 -0.083 0.000 1.121 697 A HN 0.231 nan 8.150 nan 0.000 0.496 698 I N 0.628 120.960 120.570 -0.397 0.000 2.039 698 I HA -0.229 3.942 4.170 0.001 0.000 0.233 698 I C 2.248 178.137 176.117 -0.380 0.000 1.040 698 I CA 1.814 62.723 61.300 -0.652 0.000 1.308 698 I CB -0.665 37.077 38.000 -0.430 0.000 1.035 698 I HN 0.703 nan 8.210 nan 0.000 0.392 699 E N 0.143 120.223 120.200 -0.201 0.000 2.219 699 E HA -0.300 4.051 4.350 0.001 0.000 0.198 699 E C 2.152 178.707 176.600 -0.074 0.000 0.998 699 E CA 1.466 57.805 56.400 -0.101 0.000 0.818 699 E CB -0.621 29.040 29.700 -0.066 0.000 0.741 699 E HN 0.580 nan 8.360 nan 0.000 0.477 700 M N 0.332 119.876 119.600 -0.094 0.000 2.117 700 M HA -0.163 4.318 4.480 0.001 0.000 0.262 700 M C 2.182 178.458 176.300 -0.040 0.000 1.065 700 M CA 1.821 57.086 55.300 -0.058 0.000 1.114 700 M CB -0.028 32.534 32.600 -0.064 0.000 1.361 700 M HN 0.110 nan 8.290 nan 0.000 0.408 701 A N -0.320 122.458 122.820 -0.070 0.000 1.841 701 A HA -0.105 4.216 4.320 0.001 0.000 0.214 701 A C 1.987 179.596 177.584 0.041 0.000 1.195 701 A CA 1.746 53.785 52.037 0.002 0.000 0.611 701 A CB -1.240 17.750 19.000 -0.016 0.000 0.835 701 A HN 0.384 nan 8.150 nan 0.000 0.443 702 V N 0.700 120.637 119.914 0.038 0.000 2.277 702 V HA -0.339 3.782 4.120 0.001 0.000 0.253 702 V C 2.639 178.781 176.094 0.080 0.000 1.067 702 V CA 2.773 65.134 62.300 0.102 0.000 1.047 702 V CB -0.964 30.901 31.823 0.069 0.000 0.649 702 V HN 0.778 nan 8.190 nan 0.000 0.447 703 E N 0.773 120.993 120.200 0.035 0.000 2.001 703 E HA -0.204 4.146 4.350 0.001 0.000 0.193 703 E C 2.164 178.775 176.600 0.018 0.000 0.994 703 E CA 1.432 57.848 56.400 0.027 0.000 0.815 703 E CB -0.476 29.230 29.700 0.009 0.000 0.770 703 E HN 0.242 nan 8.360 nan 0.000 0.453 704 K N 0.616 121.020 120.400 0.006 0.000 2.107 704 K HA -0.151 4.170 4.320 0.001 0.000 0.211 704 K C 2.045 178.628 176.600 -0.027 0.000 1.049 704 K CA 1.623 57.908 56.287 -0.004 0.000 0.927 704 K CB -1.238 31.263 32.500 0.002 0.000 0.714 704 K HN 0.314 nan 8.250 nan 0.000 0.452 705 A N 0.567 123.365 122.820 -0.037 0.000 1.986 705 A HA -0.236 4.085 4.320 0.001 0.000 0.220 705 A C 2.109 179.597 177.584 -0.160 0.000 1.171 705 A CA 2.117 54.061 52.037 -0.155 0.000 0.640 705 A CB -0.366 18.544 19.000 -0.150 0.000 0.811 705 A HN 0.302 nan 8.150 nan 0.000 0.451 706 K N -0.554 119.840 120.400 -0.009 0.000 2.155 706 K HA -0.043 4.278 4.320 0.001 0.000 0.203 706 K C 1.987 178.589 176.600 0.003 0.000 1.052 706 K CA 1.299 57.613 56.287 0.045 0.000 0.948 706 K CB -0.063 32.481 32.500 0.073 0.000 0.728 706 K HN 0.670 nan 8.250 nan 0.000 0.448 707 E N 0.297 120.486 120.200 -0.019 0.000 2.006 707 E HA -0.131 4.220 4.350 0.001 0.000 0.192 707 E C 1.889 178.457 176.600 -0.054 0.000 0.993 707 E CA 1.136 57.520 56.400 -0.027 0.000 0.808 707 E CB -0.020 29.667 29.700 -0.022 0.000 0.764 707 E HN 0.159 nan 8.360 nan 0.000 0.449 708 I N 0.295 120.824 120.570 -0.068 0.000 2.069 708 I HA -0.210 3.961 4.170 0.001 0.000 0.237 708 I C 1.051 177.092 176.117 -0.126 0.000 1.053 708 I CA 1.339 62.591 61.300 -0.080 0.000 1.311 708 I CB -0.507 37.453 38.000 -0.066 0.000 1.030 708 I HN 0.325 nan 8.210 nan 0.000 0.398 709 G N -0.560 108.166 108.800 -0.124 0.000 3.225 709 G HA2 -0.163 3.797 3.960 0.001 0.000 0.686 709 G HA3 -0.163 3.797 3.960 0.001 0.000 0.686 709 G C -0.772 174.199 174.900 0.118 0.000 1.105 709 G CA -0.950 44.122 45.100 -0.046 0.000 0.831 709 G HN 0.109 nan 8.290 nan 0.000 0.578 710 Y N 2.273 122.683 120.300 0.184 0.000 2.357 710 Y HA 0.488 5.039 4.550 0.002 0.000 0.340 710 Y C -0.899 175.118 175.900 0.195 0.000 1.260 710 Y CA -0.986 57.203 58.100 0.148 0.000 1.425 710 Y CB 0.458 38.974 38.460 0.094 0.000 1.326 710 Y HN 0.525 nan 8.280 nan 0.000 0.580 711 P HA 0.288 nan 4.420 nan 0.000 0.276 711 P C -1.348 175.912 177.300 -0.067 0.000 1.261 711 P CA -0.292 62.835 63.100 0.045 0.000 0.800 711 P CB 0.895 32.373 31.700 -0.370 0.000 1.066 712 L N -0.176 120.980 121.223 -0.111 0.000 2.354 712 L HA 0.409 4.750 4.340 0.001 0.000 0.264 712 L C -0.525 176.231 176.870 -0.190 0.000 1.008 712 L CA -0.831 53.924 54.840 -0.141 0.000 0.819 712 L CB 1.972 43.921 42.059 -0.184 0.000 1.339 712 L HN 0.044 nan 8.230 nan 0.000 0.420 713 V N 2.626 122.456 119.914 -0.141 0.000 2.364 713 V HA 0.356 4.477 4.120 0.001 0.000 0.272 713 V C -0.248 175.736 176.094 -0.183 0.000 1.036 713 V CA -0.713 61.483 62.300 -0.173 0.000 0.880 713 V CB 1.519 33.293 31.823 -0.082 0.000 0.991 713 V HN 0.423 nan 8.190 nan 0.000 0.460 714 V N 6.332 126.072 119.914 -0.290 0.000 2.284 714 V HA 0.395 4.516 4.120 0.001 0.000 0.260 714 V C 0.420 176.357 176.094 -0.262 0.000 1.084 714 V CA -0.507 61.582 62.300 -0.351 0.000 0.894 714 V CB 0.092 31.467 31.823 -0.747 0.000 1.119 714 V HN 0.746 nan 8.190 nan 0.000 0.484 715 R N 5.093 125.516 120.500 -0.129 0.000 2.229 715 R HA 0.497 4.838 4.340 0.001 0.000 0.332 715 R C -1.868 174.418 176.300 -0.023 0.000 0.989 715 R CA -0.994 55.066 56.100 -0.067 0.000 0.842 715 R CB 1.907 32.187 30.300 -0.035 0.000 1.119 715 R HN 0.557 nan 8.270 nan 0.000 0.456 716 P HA 0.175 nan 4.420 nan 0.000 0.300 716 P C -0.341 176.977 177.300 0.031 0.000 1.294 716 P CA 0.586 63.711 63.100 0.041 0.000 0.757 716 P CB 0.364 32.100 31.700 0.060 0.000 1.377 725 M N 1.055 120.640 119.600 -0.024 0.000 2.573 725 M HA 0.760 5.240 4.480 0.001 0.000 0.309 725 M C 0.044 176.284 176.300 -0.101 0.000 1.202 725 M CA -0.364 54.896 55.300 -0.066 0.000 0.975 725 M CB 1.982 34.548 32.600 -0.057 0.000 1.600 725 M HN 0.842 nan 8.290 nan 0.000 0.479 726 E N 0.977 121.051 120.200 -0.211 0.000 2.378 726 E HA 0.428 4.779 4.350 0.001 0.000 0.283 726 E C -2.019 174.387 176.600 -0.323 0.000 0.979 726 E CA -0.517 55.735 56.400 -0.246 0.000 0.795 726 E CB 1.714 31.308 29.700 -0.177 0.000 1.221 726 E HN 0.641 nan 8.360 nan 0.000 0.428 727 I N 3.902 124.304 120.570 -0.280 0.000 2.312 727 I HA 0.372 4.543 4.170 0.001 0.000 0.290 727 I C -0.671 175.310 176.117 -0.226 0.000 1.008 727 I CA -1.060 60.016 61.300 -0.373 0.000 1.226 727 I CB 1.427 39.065 38.000 -0.605 0.000 1.371 727 I HN 0.274 nan 8.210 nan 0.000 0.468 728 V N 6.830 126.608 119.914 -0.225 0.000 2.459 728 V HA 0.207 4.328 4.120 0.001 0.000 0.295 728 V C -0.105 176.014 176.094 0.041 0.000 1.029 728 V CA -0.378 61.924 62.300 0.004 0.000 0.874 728 V CB 1.512 33.363 31.823 0.046 0.000 0.985 728 V HN 0.568 nan 8.190 nan 0.000 0.438 729 Y N 1.624 121.987 120.300 0.105 0.000 2.436 729 Y HA 0.172 4.723 4.550 0.002 0.000 0.288 729 Y C 0.857 176.620 175.900 -0.228 0.000 1.112 729 Y CA -0.161 57.984 58.100 0.074 0.000 1.220 729 Y CB 0.260 38.725 38.460 0.010 0.000 1.073 729 Y HN 0.862 nan 8.280 nan 0.000 0.552 730 D N -2.660 117.543 120.400 -0.329 0.000 2.664 730 D HA 0.120 4.761 4.640 0.001 0.000 0.292 730 D C 0.603 176.494 176.300 -0.681 0.000 1.214 730 D CA -0.727 52.686 54.000 -0.979 0.000 0.932 730 D CB 0.380 40.942 40.800 -0.397 0.000 1.420 730 D HN -0.090 nan 8.370 nan 0.000 0.471 731 E N -0.264 119.605 120.200 -0.552 0.000 2.033 731 E HA -0.296 4.055 4.350 0.001 0.000 0.199 731 E C 1.999 178.633 176.600 0.056 0.000 1.011 731 E CA 1.840 58.229 56.400 -0.019 0.000 0.815 731 E CB -0.320 29.386 29.700 0.011 0.000 0.755 731 E HN 0.520 nan 8.360 nan 0.000 0.451 732 A N 1.073 123.891 122.820 -0.003 0.000 1.892 732 A HA -0.288 4.033 4.320 0.001 0.000 0.218 732 A C 1.859 179.488 177.584 0.076 0.000 1.188 732 A CA 2.276 54.334 52.037 0.035 0.000 0.631 732 A CB -0.850 18.152 19.000 0.004 0.000 0.822 732 A HN 0.309 nan 8.150 nan 0.000 0.447 733 D N -0.507 119.928 120.400 0.059 0.000 2.103 733 D HA -0.159 4.481 4.640 0.001 0.000 0.190 733 D C 1.882 178.296 176.300 0.191 0.000 0.997 733 D CA 1.274 55.342 54.000 0.112 0.000 0.833 733 D CB -0.250 40.623 40.800 0.121 0.000 0.961 733 D HN 0.361 nan 8.370 nan 0.000 0.447 734 L N 0.462 121.837 121.223 0.252 0.000 1.997 734 L HA -0.347 3.993 4.340 0.001 0.000 0.227 734 L C 2.571 179.735 176.870 0.491 0.000 1.087 734 L CA 1.857 56.928 54.840 0.385 0.000 0.797 734 L CB -0.309 42.036 42.059 0.477 0.000 0.902 734 L HN 0.176 nan 8.230 nan 0.000 0.441 735 R N -0.919 119.810 120.500 0.383 0.000 2.103 735 R HA -0.250 4.091 4.340 0.001 0.000 0.234 735 R C 2.270 178.742 176.300 0.287 0.000 1.132 735 R CA 1.576 57.886 56.100 0.348 0.000 0.925 735 R CB -0.898 29.512 30.300 0.184 0.000 0.842 735 R HN 0.367 nan 8.270 nan 0.000 0.430 736 R N 0.522 121.132 120.500 0.184 0.000 2.190 736 R HA -0.304 4.037 4.340 0.001 0.000 0.255 736 R C 2.266 178.632 176.300 0.111 0.000 1.143 736 R CA 2.466 58.639 56.100 0.121 0.000 0.965 736 R CB -0.687 29.673 30.300 0.100 0.000 0.889 736 R HN 0.418 nan 8.270 nan 0.000 0.448 737 Y N 0.027 120.334 120.300 0.012 0.000 2.145 737 Y HA -0.228 4.323 4.550 0.001 0.000 0.286 737 Y C 2.032 177.845 175.900 -0.144 0.000 1.145 737 Y CA 1.967 60.002 58.100 -0.109 0.000 1.148 737 Y CB -0.726 37.601 38.460 -0.221 0.000 0.981 737 Y HN 0.016 nan 8.280 nan 0.000 0.507 738 F N 1.264 121.264 119.950 0.083 0.000 2.141 738 F HA -0.364 4.164 4.527 0.001 0.000 0.300 738 F C 2.725 178.450 175.800 -0.125 0.000 1.079 738 F CA 2.242 60.236 58.000 -0.011 0.000 1.264 738 F CB -0.980 38.075 39.000 0.092 0.000 1.011 738 F HN 0.279 nan 8.300 nan 0.000 0.487 739 Q N 0.080 119.915 119.800 0.058 0.000 1.967 739 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 739 Q C 2.402 178.343 176.000 -0.099 0.000 0.985 739 Q CA 2.928 58.731 55.803 0.000 0.000 0.839 739 Q CB -0.429 28.314 28.738 0.008 0.000 0.906 739 Q HN 0.476 nan 8.270 nan 0.000 0.423 740 T N -0.794 113.648 114.554 -0.188 0.000 2.684 740 T HA -0.005 4.346 4.350 0.001 0.000 0.267 740 T C 1.052 175.560 174.700 -0.320 0.000 1.036 740 T CA 0.722 62.685 62.100 -0.228 0.000 1.148 740 T CB -0.797 67.935 68.868 -0.226 0.000 0.863 740 T HN 0.468 nan 8.240 nan 0.000 0.436 751 L N 4.029 125.281 121.223 0.049 0.000 2.387 751 L HA 0.777 5.118 4.340 0.001 0.000 0.266 751 L C -0.778 176.102 176.870 0.018 0.000 1.059 751 L CA -0.503 54.359 54.840 0.036 0.000 0.801 751 L CB 1.367 43.442 42.059 0.027 0.000 1.223 751 L HN 0.480 nan 8.230 nan 0.000 0.456 752 L N 1.197 122.430 121.223 0.017 0.000 2.476 752 L HA 0.493 4.834 4.340 0.001 0.000 0.269 752 L C -1.516 175.356 176.870 0.003 0.000 0.965 752 L CA -0.214 54.623 54.840 -0.005 0.000 0.845 752 L CB 1.802 43.865 42.059 0.007 0.000 1.259 752 L HN 0.490 nan 8.230 nan 0.000 0.403 753 D N 0.316 120.712 120.400 -0.007 0.000 2.787 753 D HA 0.306 4.946 4.640 0.001 0.000 0.246 753 D C -0.913 175.410 176.300 0.038 0.000 1.150 753 D CA -0.458 53.560 54.000 0.031 0.000 0.864 753 D CB 1.371 42.196 40.800 0.042 0.000 1.481 753 D HN 0.437 nan 8.370 nan 0.000 0.509 754 H N 1.702 120.758 119.070 -0.023 0.000 2.964 754 H HA 0.123 4.680 4.556 0.001 0.000 0.328 754 H C -0.843 174.489 175.328 0.007 0.000 1.030 754 H CA 0.034 56.062 56.048 -0.033 0.000 1.445 754 H CB 0.219 29.954 29.762 -0.046 0.000 1.449 754 H HN 0.224 nan 8.280 nan 0.000 0.581 755 F N 6.527 126.047 119.950 -0.715 0.000 2.444 755 F HA 0.205 4.732 4.527 0.001 0.000 0.360 755 F C -0.725 174.702 175.800 -0.622 0.000 1.106 755 F CA -1.004 56.672 58.000 -0.540 0.000 1.170 755 F CB 0.049 38.787 39.000 -0.436 0.000 1.113 755 F HN 0.538 nan 8.300 nan 0.000 0.521 756 L N 6.470 127.042 121.223 -1.085 0.000 2.462 756 L HA 0.104 4.445 4.340 0.001 0.000 0.283 756 L C 0.322 176.456 176.870 -1.228 0.000 1.166 756 L CA -0.230 54.040 54.840 -0.950 0.000 0.964 756 L CB -0.688 40.962 42.059 -0.683 0.000 1.294 756 L HN 0.513 nan 8.230 nan 0.000 0.449 757 D N 3.071 122.883 120.400 -0.980 0.000 2.400 757 D HA -0.070 4.571 4.640 0.001 0.000 0.238 757 D C 0.452 176.566 176.300 -0.310 0.000 1.157 757 D CA 0.135 53.789 54.000 -0.576 0.000 0.889 757 D CB 0.613 41.309 40.800 -0.174 0.000 1.199 757 D HN 0.463 nan 8.370 nan 0.000 0.436 758 D N 0.047 120.365 120.400 -0.138 0.000 2.755 758 D HA -0.183 4.458 4.640 0.001 0.000 0.227 758 D C -0.693 175.539 176.300 -0.113 0.000 1.211 758 D CA 0.718 54.674 54.000 -0.073 0.000 0.663 758 D CB -0.883 39.898 40.800 -0.033 0.000 0.983 758 D HN 0.356 nan 8.370 nan 0.000 0.407 759 A N -0.146 122.589 122.820 -0.143 0.000 2.384 759 A HA 0.676 4.997 4.320 0.001 0.000 0.312 759 A C -0.034 177.503 177.584 -0.078 0.000 1.113 759 A CA -0.650 51.305 52.037 -0.137 0.000 0.779 759 A CB 2.034 20.898 19.000 -0.226 0.000 1.307 759 A HN 0.067 nan 8.150 nan 0.000 0.436 760 V N 1.200 121.073 119.914 -0.068 0.000 2.567 760 V HA 0.345 4.465 4.120 0.001 0.000 0.289 760 V C 0.336 176.387 176.094 -0.072 0.000 1.049 760 V CA -0.306 61.963 62.300 -0.052 0.000 0.969 760 V CB 1.382 33.162 31.823 -0.072 0.000 0.995 760 V HN 0.945 nan 8.190 nan 0.000 0.471 761 E N 2.850 122.982 120.200 -0.114 0.000 2.179 761 E HA 0.671 5.022 4.350 0.001 0.000 0.275 761 E C -1.696 174.581 176.600 -0.537 0.000 0.945 761 E CA -0.441 55.775 56.400 -0.307 0.000 0.792 761 E CB 2.017 31.529 29.700 -0.313 0.000 1.125 761 E HN 0.466 nan 8.360 nan 0.000 0.397 762 V N 3.395 123.096 119.914 -0.354 0.000 2.789 762 V HA 0.323 4.444 4.120 0.001 0.000 0.311 762 V C -0.998 175.091 176.094 -0.008 0.000 1.073 762 V CA -0.866 61.342 62.300 -0.153 0.000 0.921 762 V CB 2.275 34.123 31.823 0.042 0.000 1.009 762 V HN 0.762 nan 8.190 nan 0.000 0.426 763 D N 1.411 121.883 120.400 0.120 0.000 2.342 763 D HA 0.739 5.380 4.640 0.001 0.000 0.243 763 D C -1.159 175.254 176.300 0.189 0.000 1.019 763 D CA -0.105 53.999 54.000 0.174 0.000 0.864 763 D CB 2.275 43.210 40.800 0.226 0.000 1.315 763 D HN 0.321 nan 8.370 nan 0.000 0.468 764 V N 2.419 122.438 119.914 0.176 0.000 2.525 764 V HA 0.335 4.456 4.120 0.001 0.000 0.299 764 V C -0.955 175.207 176.094 0.113 0.000 1.034 764 V CA -0.911 61.490 62.300 0.168 0.000 0.863 764 V CB 1.917 33.885 31.823 0.241 0.000 0.999 764 V HN 0.480 nan 8.190 nan 0.000 0.423 765 D N 3.732 124.189 120.400 0.094 0.000 2.233 765 D HA 0.792 5.433 4.640 0.001 0.000 0.240 765 D C -0.042 176.288 176.300 0.051 0.000 1.074 765 D CA 0.225 54.265 54.000 0.066 0.000 0.838 765 D CB 2.263 43.101 40.800 0.063 0.000 1.124 765 D HN 0.812 nan 8.370 nan 0.000 0.475 766 A N 2.434 125.277 122.820 0.039 0.000 2.569 766 A HA 0.801 5.121 4.320 0.001 0.000 0.290 766 A C -1.033 176.563 177.584 0.020 0.000 1.136 766 A CA -0.627 51.423 52.037 0.022 0.000 0.710 766 A CB 1.310 20.314 19.000 0.006 0.000 1.303 766 A HN 0.508 nan 8.150 nan 0.000 0.413 767 I N -0.162 120.414 120.570 0.010 0.000 2.608 767 I HA 0.527 4.698 4.170 0.001 0.000 0.295 767 I C -0.866 175.249 176.117 -0.004 0.000 1.049 767 I CA -0.568 60.746 61.300 0.023 0.000 1.063 767 I CB 2.056 40.080 38.000 0.041 0.000 1.248 767 I HN 0.661 nan 8.210 nan 0.000 0.424 768 C N 4.297 123.601 119.300 0.007 0.000 2.547 768 C HA 0.480 4.941 4.460 0.001 0.000 0.313 768 C C -0.054 174.972 174.990 0.060 0.000 1.191 768 C CA -0.433 58.585 59.018 -0.001 0.000 1.474 768 C CB 1.009 28.720 27.740 -0.049 0.000 2.081 768 C HN 0.935 nan 8.230 nan 0.000 0.476 769 D N 1.593 122.052 120.400 0.098 0.000 2.479 769 D HA 0.290 4.931 4.640 0.001 0.000 0.218 769 D C 1.306 177.685 176.300 0.131 0.000 1.177 769 D CA 0.595 54.654 54.000 0.099 0.000 0.830 769 D CB 0.032 40.880 40.800 0.080 0.000 1.014 769 D HN 1.318 nan 8.370 nan 0.000 0.503 770 G N 0.632 109.558 108.800 0.210 0.000 2.284 770 G HA2 -0.392 3.569 3.960 0.001 0.000 0.247 770 G HA3 -0.392 3.569 3.960 0.001 0.000 0.247 770 G C 0.997 176.034 174.900 0.230 0.000 1.012 770 G CA 0.482 45.724 45.100 0.236 0.000 0.618 770 G HN 0.436 nan 8.290 nan 0.000 0.521 771 E N -0.497 119.831 120.200 0.214 0.000 2.206 771 E HA 0.420 4.771 4.350 0.001 0.000 0.195 771 E C 1.420 178.179 176.600 0.264 0.000 0.935 771 E CA 0.888 57.371 56.400 0.138 0.000 0.875 771 E CB 0.137 29.886 29.700 0.082 0.000 0.841 771 E HN 0.758 nan 8.360 nan 0.000 0.477 772 M N -1.489 118.295 119.600 0.306 0.000 2.755 772 M HA 0.546 5.027 4.480 0.001 0.000 0.273 772 M C -1.513 174.872 176.300 0.141 0.000 1.278 772 M CA -0.968 54.513 55.300 0.303 0.000 0.819 772 M CB 2.354 35.047 32.600 0.155 0.000 1.694 772 M HN -0.337 nan 8.290 nan 0.000 0.460 773 V N 1.987 121.911 119.914 0.017 0.000 2.487 773 V HA 0.569 4.690 4.120 0.001 0.000 0.298 773 V C -1.212 174.860 176.094 -0.036 0.000 1.028 773 V CA -0.654 61.582 62.300 -0.108 0.000 0.860 773 V CB 1.697 33.348 31.823 -0.287 0.000 0.991 773 V HN 0.745 nan 8.190 nan 0.000 0.427 774 L N 6.153 127.363 121.223 -0.023 0.000 2.287 774 L HA 0.592 4.933 4.340 0.001 0.000 0.287 774 L C -0.479 176.387 176.870 -0.006 0.000 1.022 774 L CA -0.084 54.753 54.840 -0.005 0.000 0.814 774 L CB 1.047 43.110 42.059 0.008 0.000 1.217 774 L HN 0.424 nan 8.230 nan 0.000 0.420 775 I N 5.706 126.274 120.570 -0.005 0.000 2.379 775 I HA 0.216 4.386 4.170 0.001 0.000 0.290 775 I C 1.398 177.518 176.117 0.005 0.000 1.063 775 I CA 0.144 61.447 61.300 0.004 0.000 1.351 775 I CB 0.401 38.404 38.000 0.004 0.000 1.410 775 I HN 0.825 nan 8.210 nan 0.000 0.505 776 G N 5.226 114.035 108.800 0.015 0.000 2.395 776 G HA2 0.274 4.234 3.960 0.001 0.000 0.214 776 G HA3 0.274 4.234 3.960 0.001 0.000 0.214 776 G C 0.634 175.539 174.900 0.008 0.000 1.177 776 G CA 0.654 45.759 45.100 0.009 0.000 0.794 776 G HN 0.800 nan 8.290 nan 0.000 0.532 777 G N -1.031 107.790 108.800 0.035 0.000 2.655 777 G HA2 0.454 4.415 3.960 0.001 0.000 0.296 777 G HA3 0.454 4.415 3.960 0.001 0.000 0.296 777 G C -1.629 173.325 174.900 0.090 0.000 1.485 777 G CA -0.849 44.282 45.100 0.052 0.000 0.869 777 G HN 0.143 nan 8.290 nan 0.000 0.540 778 I N 1.643 122.268 120.570 0.091 0.000 2.354 778 I HA 0.377 4.548 4.170 0.001 0.000 0.286 778 I C -0.108 176.106 176.117 0.161 0.000 1.007 778 I CA -0.402 60.964 61.300 0.110 0.000 1.167 778 I CB 1.625 39.662 38.000 0.062 0.000 1.320 778 I HN 0.231 nan 8.210 nan 0.000 0.458 779 M N 6.030 125.753 119.600 0.206 0.000 2.205 779 M HA 0.327 4.808 4.480 0.001 0.000 0.344 779 M C -0.202 176.267 176.300 0.281 0.000 1.085 779 M CA -0.313 55.154 55.300 0.279 0.000 1.001 779 M CB 1.768 34.556 32.600 0.314 0.000 1.626 779 M HN 0.433 nan 8.290 nan 0.000 0.442 780 E N 3.432 123.823 120.200 0.319 0.000 2.174 780 E HA 0.218 4.569 4.350 0.001 0.000 0.282 780 E C -1.008 175.856 176.600 0.441 0.000 0.992 780 E CA -0.470 56.105 56.400 0.292 0.000 0.803 780 E CB 0.802 30.625 29.700 0.206 0.000 1.090 780 E HN 0.666 nan 8.360 nan 0.000 0.396 781 H N 3.616 122.807 119.070 0.201 0.000 2.707 781 H HA 0.022 4.579 4.556 0.001 0.000 0.359 781 H C 0.794 176.282 175.328 0.268 0.000 1.113 781 H CA -0.813 55.355 56.048 0.201 0.000 1.422 781 H CB 1.157 31.000 29.762 0.135 0.000 1.443 781 H HN 0.554 nan 8.280 nan 0.000 0.591 782 I N 1.489 122.299 120.570 0.399 0.000 2.162 782 I HA -0.134 4.036 4.170 0.001 0.000 0.238 782 I C 0.685 176.966 176.117 0.273 0.000 1.076 782 I CA 1.081 62.593 61.300 0.354 0.000 1.353 782 I CB -0.263 37.907 38.000 0.285 0.000 1.063 782 I HN 0.611 nan 8.210 nan 0.000 0.408 783 E N 2.143 122.487 120.200 0.241 0.000 2.360 783 E HA 0.060 4.411 4.350 0.001 0.000 0.269 783 E C 0.241 176.975 176.600 0.224 0.000 1.022 783 E CA -0.293 56.230 56.400 0.205 0.000 0.887 783 E CB 0.214 30.019 29.700 0.174 0.000 0.990 783 E HN 0.168 nan 8.360 nan 0.000 0.426 784 Q N 1.694 121.599 119.800 0.176 0.000 2.584 784 Q HA 0.184 4.525 4.340 0.001 0.000 0.218 784 Q C -0.307 175.791 176.000 0.162 0.000 1.079 784 Q CA -0.430 55.457 55.803 0.139 0.000 1.008 784 Q CB 0.316 29.118 28.738 0.106 0.000 1.267 784 Q HN 0.488 nan 8.270 nan 0.000 0.586 785 A N -0.339 122.538 122.820 0.095 0.000 2.546 785 A HA 0.430 4.751 4.320 0.001 0.000 0.243 785 A C 1.129 178.878 177.584 0.275 0.000 1.063 785 A CA 0.794 52.894 52.037 0.106 0.000 0.757 785 A CB -0.865 18.114 19.000 -0.034 0.000 0.991 785 A HN 1.414 nan 8.150 nan 0.000 0.503 786 G N 0.781 109.756 108.800 0.292 0.000 2.284 786 G HA2 -0.100 3.861 3.960 0.001 0.000 0.201 786 G HA3 -0.100 3.861 3.960 0.001 0.000 0.201 786 G C 0.034 175.020 174.900 0.144 0.000 0.998 786 G CA 0.022 45.288 45.100 0.277 0.000 0.651 786 G HN 1.410 nan 8.290 nan 0.000 0.489 787 V N 3.281 123.297 119.914 0.171 0.000 2.328 787 V HA 0.428 4.549 4.120 0.001 0.000 0.278 787 V C 0.724 176.919 176.094 0.167 0.000 1.021 787 V CA -1.082 61.313 62.300 0.159 0.000 0.838 787 V CB 1.240 33.158 31.823 0.159 0.000 0.999 787 V HN 0.421 nan 8.190 nan 0.000 0.447 788 H N 3.705 122.825 119.070 0.082 0.000 3.152 788 H HA -0.092 4.465 4.556 0.001 0.000 0.319 788 H C 1.649 177.003 175.328 0.043 0.000 0.994 788 H CA 1.086 57.173 56.048 0.066 0.000 1.370 788 H CB 1.109 30.888 29.762 0.030 0.000 1.322 788 H HN 0.884 nan 8.280 nan 0.000 0.590 789 S N 2.719 118.381 115.700 -0.063 0.000 2.387 789 S HA -0.167 4.304 4.470 0.001 0.000 0.230 789 S C 2.263 176.869 174.600 0.011 0.000 1.035 789 S CA 0.968 59.148 58.200 -0.034 0.000 1.014 789 S CB -0.545 62.711 63.200 0.094 0.000 0.836 789 S HN 0.725 nan 8.310 nan 0.000 0.466 790 G N 0.949 109.983 108.800 0.391 0.000 2.509 790 G HA2 -0.041 3.919 3.960 0.001 0.000 0.218 790 G HA3 -0.041 3.919 3.960 0.001 0.000 0.218 790 G C 0.705 175.623 174.900 0.030 0.000 1.124 790 G CA 0.809 46.004 45.100 0.159 0.000 0.776 790 G HN 0.544 nan 8.290 nan 0.000 0.547 791 D N -0.449 119.991 120.400 0.066 0.000 2.431 791 D HA 0.211 4.852 4.640 0.001 0.000 0.213 791 D C 0.531 176.834 176.300 0.006 0.000 1.130 791 D CA -0.015 54.001 54.000 0.027 0.000 0.834 791 D CB 0.797 41.641 40.800 0.072 0.000 0.985 791 D HN 0.054 nan 8.370 nan 0.000 0.504 792 S N 0.393 116.051 115.700 -0.070 0.000 2.617 792 S HA 0.718 5.189 4.470 0.001 0.000 0.283 792 S C 0.257 174.791 174.600 -0.110 0.000 1.189 792 S CA -0.733 57.413 58.200 -0.091 0.000 1.036 792 S CB 1.927 64.965 63.200 -0.271 0.000 1.014 792 S HN 0.216 nan 8.310 nan 0.000 0.522 793 A N 0.701 123.527 122.820 0.010 0.000 2.271 793 A HA 0.729 5.050 4.320 0.001 0.000 0.288 793 A C 0.266 177.880 177.584 0.049 0.000 1.094 793 A CA -0.548 51.502 52.037 0.021 0.000 0.828 793 A CB -0.269 18.849 19.000 0.196 0.000 1.091 793 A HN 1.253 nan 8.150 nan 0.000 0.493 794 C N -0.845 118.473 119.300 0.030 0.000 3.318 794 C HA 0.896 5.357 4.460 0.001 0.000 0.322 794 C C -0.352 174.777 174.990 0.230 0.000 1.398 794 C CA -0.233 58.878 59.018 0.154 0.000 1.339 794 C CB 0.942 28.749 27.740 0.111 0.000 1.668 794 C HN 1.391 nan 8.230 nan 0.000 0.462 795 S N 0.513 116.450 115.700 0.395 0.000 2.526 795 S HA 0.803 5.274 4.470 0.001 0.000 0.293 795 S C -1.519 173.382 174.600 0.501 0.000 1.092 795 S CA -0.533 57.972 58.200 0.509 0.000 0.980 795 S CB 1.419 65.010 63.200 0.652 0.000 1.048 795 S HN 1.151 nan 8.310 nan 0.000 0.483 796 L N 5.432 126.952 121.223 0.496 0.000 2.406 796 L HA 0.590 4.931 4.340 0.001 0.000 0.270 796 L C -2.602 174.384 176.870 0.194 0.000 0.982 796 L CA -2.077 52.952 54.840 0.315 0.000 0.843 796 L CB 2.392 44.601 42.059 0.249 0.000 1.225 796 L HN 0.529 nan 8.230 nan 0.000 0.412 797 P HA 0.242 nan 4.420 nan 0.000 0.278 797 P C -0.654 176.834 177.300 0.314 0.000 1.266 797 P CA -0.418 62.742 63.100 0.099 0.000 0.807 797 P CB 0.806 32.470 31.700 -0.061 0.000 1.094 798 A N 0.940 123.906 122.820 0.243 0.000 2.547 798 A HA 0.026 4.347 4.320 0.001 0.000 0.233 798 A C 0.526 178.326 177.584 0.359 0.000 1.067 798 A CA 0.455 52.658 52.037 0.278 0.000 0.763 798 A CB -0.867 18.193 19.000 0.099 0.000 1.007 798 A HN 0.777 nan 8.150 nan 0.000 0.506 799 Y N -0.960 119.407 120.300 0.112 0.000 2.445 799 Y HA 0.303 4.854 4.550 0.001 0.000 0.247 799 Y C 1.423 177.248 175.900 -0.125 0.000 1.129 799 Y CA 0.572 58.668 58.100 -0.007 0.000 1.251 799 Y CB 0.157 38.398 38.460 -0.364 0.000 1.176 799 Y HN 0.631 nan 8.280 nan 0.000 0.522 800 T N -2.208 111.949 114.554 -0.660 0.000 3.010 800 T HA 0.309 4.660 4.350 0.001 0.000 0.253 800 T C 0.254 174.784 174.700 -0.282 0.000 0.939 800 T CA -0.228 61.568 62.100 -0.508 0.000 0.910 800 T CB -0.593 67.876 68.868 -0.666 0.000 1.226 800 T HN 0.140 nan 8.240 nan 0.000 0.508 801 L N 4.004 125.090 121.223 -0.227 0.000 2.456 801 L HA 0.401 4.742 4.340 0.001 0.000 0.272 801 L C 1.031 177.838 176.870 -0.104 0.000 1.189 801 L CA -0.562 54.191 54.840 -0.145 0.000 0.846 801 L CB 0.586 42.577 42.059 -0.113 0.000 1.111 801 L HN 0.437 nan 8.230 nan 0.000 0.475 802 S N 1.385 117.028 115.700 -0.094 0.000 2.585 802 S HA 0.027 4.498 4.470 0.001 0.000 0.273 802 S C 0.621 175.180 174.600 -0.068 0.000 1.339 802 S CA -0.520 57.635 58.200 -0.074 0.000 1.028 802 S CB 1.520 64.677 63.200 -0.070 0.000 0.906 802 S HN 0.677 nan 8.310 nan 0.000 0.528 803 Q N 0.903 120.670 119.800 -0.055 0.000 2.124 803 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 803 Q C 1.989 177.953 176.000 -0.060 0.000 0.977 803 Q CA 2.189 57.961 55.803 -0.052 0.000 0.850 803 Q CB -0.386 28.327 28.738 -0.041 0.000 0.901 803 Q HN 0.945 nan 8.270 nan 0.000 0.429 804 E N -0.111 120.053 120.200 -0.059 0.000 2.021 804 E HA -0.247 4.104 4.350 0.001 0.000 0.200 804 E C 1.914 178.467 176.600 -0.078 0.000 1.015 804 E CA 1.665 58.029 56.400 -0.061 0.000 0.824 804 E CB -0.371 29.296 29.700 -0.056 0.000 0.762 804 E HN 0.530 nan 8.360 nan 0.000 0.454 805 I N 0.539 121.056 120.570 -0.087 0.000 2.361 805 I HA -0.294 3.876 4.170 0.001 0.000 0.251 805 I C 2.419 178.447 176.117 -0.147 0.000 1.133 805 I CA 1.200 62.432 61.300 -0.113 0.000 1.413 805 I CB -0.019 37.918 38.000 -0.105 0.000 1.073 805 I HN 0.287 nan 8.210 nan 0.000 0.424 806 Q N -0.078 119.649 119.800 -0.121 0.000 2.119 806 Q HA -0.215 4.126 4.340 0.001 0.000 0.201 806 Q C 1.612 177.534 176.000 -0.129 0.000 0.972 806 Q CA 1.411 57.136 55.803 -0.129 0.000 0.847 806 Q CB -0.066 28.623 28.738 -0.083 0.000 0.903 806 Q HN 0.471 nan 8.270 nan 0.000 0.433 807 D N 0.009 120.350 120.400 -0.099 0.000 2.178 807 D HA -0.108 4.533 4.640 0.001 0.000 0.201 807 D C 1.881 178.122 176.300 -0.098 0.000 0.980 807 D CA 0.690 54.641 54.000 -0.081 0.000 0.842 807 D CB 0.052 40.817 40.800 -0.059 0.000 0.948 807 D HN 0.037 nan 8.370 nan 0.000 0.472 808 V N 0.795 120.633 119.914 -0.128 0.000 2.307 808 V HA -0.221 3.900 4.120 0.001 0.000 0.245 808 V C 2.495 178.463 176.094 -0.209 0.000 1.045 808 V CA 1.270 63.486 62.300 -0.140 0.000 1.024 808 V CB -0.310 31.425 31.823 -0.147 0.000 0.651 808 V HN 0.205 nan 8.190 nan 0.000 0.449 809 M N -0.990 118.393 119.600 -0.361 0.000 2.159 809 M HA -0.210 4.271 4.480 0.001 0.000 0.263 809 M C 2.412 178.577 176.300 -0.224 0.000 1.063 809 M CA 1.791 56.709 55.300 -0.637 0.000 1.110 809 M CB -0.499 31.543 32.600 -0.929 0.000 1.374 809 M HN 0.171 nan 8.290 nan 0.000 0.411 810 R N -0.055 120.365 120.500 -0.135 0.000 2.091 810 R HA -0.174 4.167 4.340 0.001 0.000 0.238 810 R C 2.248 178.543 176.300 -0.009 0.000 1.136 810 R CA 1.575 57.650 56.100 -0.041 0.000 0.959 810 R CB -0.195 30.080 30.300 -0.042 0.000 0.856 810 R HN 0.501 nan 8.270 nan 0.000 0.437 811 Q N -0.192 119.594 119.800 -0.022 0.000 2.119 811 Q HA -0.166 4.175 4.340 0.001 0.000 0.201 811 Q C 2.121 178.143 176.000 0.037 0.000 0.972 811 Q CA 1.222 57.027 55.803 0.005 0.000 0.847 811 Q CB 0.134 28.869 28.738 -0.006 0.000 0.903 811 Q HN 0.469 nan 8.270 nan 0.000 0.433 812 Q N -0.309 119.528 119.800 0.062 0.000 2.119 812 Q HA -0.121 4.220 4.340 0.001 0.000 0.201 812 Q C 2.198 178.300 176.000 0.171 0.000 0.972 812 Q CA 1.188 57.078 55.803 0.145 0.000 0.847 812 Q CB 0.079 28.974 28.738 0.261 0.000 0.903 812 Q HN 0.213 nan 8.270 nan 0.000 0.433 813 V N 1.084 121.115 119.914 0.194 0.000 2.343 813 V HA -0.305 3.816 4.120 0.001 0.000 0.247 813 V C 2.324 178.415 176.094 -0.006 0.000 1.051 813 V CA 2.063 64.443 62.300 0.134 0.000 1.036 813 V CB -0.594 31.319 31.823 0.150 0.000 0.654 813 V HN 0.419 nan 8.190 nan 0.000 0.451 814 Q N -0.082 119.696 119.800 -0.038 0.000 2.046 814 Q HA -0.253 4.088 4.340 0.001 0.000 0.200 814 Q C 2.356 178.275 176.000 -0.134 0.000 0.975 814 Q CA 1.814 57.516 55.803 -0.169 0.000 0.836 814 Q CB -0.036 28.653 28.738 -0.081 0.000 0.896 814 Q HN 0.588 nan 8.270 nan 0.000 0.428 815 K N 0.088 120.505 120.400 0.029 0.000 2.032 815 K HA -0.145 4.176 4.320 0.001 0.000 0.209 815 K C 2.145 178.794 176.600 0.081 0.000 1.048 815 K CA 1.387 57.734 56.287 0.099 0.000 0.927 815 K CB -0.104 32.446 32.500 0.084 0.000 0.712 815 K HN 0.212 nan 8.250 nan 0.000 0.441 816 L N 0.195 121.448 121.223 0.050 0.000 2.027 816 L HA -0.186 4.155 4.340 0.001 0.000 0.206 816 L C 2.524 179.412 176.870 0.029 0.000 1.074 816 L CA 1.120 55.995 54.840 0.058 0.000 0.745 816 L CB -0.568 41.535 42.059 0.073 0.000 0.898 816 L HN 0.231 nan 8.230 nan 0.000 0.433 817 A N 0.241 123.020 122.820 -0.068 0.000 1.884 817 A HA -0.274 4.047 4.320 0.001 0.000 0.219 817 A C 2.050 179.608 177.584 -0.044 0.000 1.197 817 A CA 2.038 53.994 52.037 -0.136 0.000 0.637 817 A CB -0.956 17.835 19.000 -0.347 0.000 0.827 817 A HN 0.293 nan 8.150 nan 0.000 0.450 818 F N -0.234 119.742 119.950 0.044 0.000 2.075 818 F HA -0.105 4.423 4.527 0.001 0.000 0.297 818 F C 2.409 178.228 175.800 0.033 0.000 1.113 818 F CA 1.609 59.630 58.000 0.034 0.000 1.218 818 F CB -1.099 37.918 39.000 0.028 0.000 0.984 818 F HN 0.318 nan 8.300 nan 0.000 0.472 819 E N 0.778 121.117 120.200 0.231 0.000 2.070 819 E HA -0.193 4.158 4.350 0.001 0.000 0.197 819 E C 1.948 178.616 176.600 0.113 0.000 1.004 819 E CA 1.471 57.954 56.400 0.138 0.000 0.805 819 E CB -0.575 29.183 29.700 0.098 0.000 0.744 819 E HN 0.429 nan 8.360 nan 0.000 0.451 820 L N 0.139 121.428 121.223 0.109 0.000 2.599 820 L HA 0.055 4.395 4.340 0.001 0.000 0.230 820 L C 0.305 177.228 176.870 0.088 0.000 1.141 820 L CA 0.180 55.077 54.840 0.094 0.000 0.877 820 L CB -0.178 41.938 42.059 0.094 0.000 1.009 820 L HN 0.085 nan 8.230 nan 0.000 0.447 821 Q N -0.845 119.021 119.800 0.110 0.000 2.502 821 Q HA -0.147 4.194 4.340 0.001 0.000 0.273 821 Q C -0.194 175.857 176.000 0.086 0.000 1.127 821 Q CA 0.375 56.241 55.803 0.104 0.000 0.952 821 Q CB -2.393 26.391 28.738 0.076 0.000 1.333 821 Q HN 0.266 nan 8.270 nan 0.000 0.494 822 V N 1.737 121.698 119.914 0.079 0.000 2.655 822 V HA 0.119 4.240 4.120 0.001 0.000 0.300 822 V C 1.029 177.162 176.094 0.065 0.000 1.044 822 V CA 0.519 62.853 62.300 0.057 0.000 1.095 822 V CB 0.923 32.766 31.823 0.032 0.000 0.952 822 V HN 0.136 nan 8.190 nan 0.000 0.485 823 R N 3.895 124.428 120.500 0.056 0.000 2.607 823 R HA 0.606 4.946 4.340 0.001 0.000 0.278 823 R C 0.276 176.606 176.300 0.049 0.000 1.637 823 R CA 0.368 56.500 56.100 0.052 0.000 1.325 823 R CB 1.111 31.436 30.300 0.042 0.000 1.211 823 R HN 1.090 nan 8.270 nan 0.000 0.565 824 G N 1.174 110.013 108.800 0.064 0.000 2.250 824 G HA2 -0.136 3.825 3.960 0.001 0.000 0.196 824 G HA3 -0.136 3.825 3.960 0.001 0.000 0.196 824 G C -1.137 173.829 174.900 0.110 0.000 1.308 824 G CA -1.004 44.155 45.100 0.097 0.000 1.207 824 G HN 0.278 nan 8.290 nan 0.000 0.505 825 L N 1.573 122.895 121.223 0.165 0.000 2.436 825 L HA 0.758 5.099 4.340 0.001 0.000 0.265 825 L C 0.947 177.872 176.870 0.092 0.000 1.168 825 L CA -0.033 54.883 54.840 0.126 0.000 0.815 825 L CB 1.157 43.295 42.059 0.133 0.000 1.109 825 L HN 0.929 nan 8.230 nan 0.000 0.462 826 M N 1.955 121.592 119.600 0.060 0.000 2.644 826 M HA 0.466 4.947 4.480 0.001 0.000 0.273 826 M C -1.938 174.383 176.300 0.035 0.000 1.253 826 M CA -0.759 54.566 55.300 0.043 0.000 0.852 826 M CB 2.451 35.065 32.600 0.024 0.000 1.708 826 M HN 0.533 nan 8.290 nan 0.000 0.471 827 N N 1.411 120.124 118.700 0.021 0.000 2.260 827 N HA 0.690 5.431 4.740 0.001 0.000 0.293 827 N C -2.322 173.169 175.510 -0.031 0.000 1.058 827 N CA -0.299 52.761 53.050 0.017 0.000 0.824 827 N CB 2.967 41.474 38.487 0.032 0.000 1.551 827 N HN 0.655 nan 8.380 nan 0.000 0.475 828 V N 2.238 122.126 119.914 -0.043 0.000 2.656 828 V HA 0.436 4.557 4.120 0.001 0.000 0.307 828 V C -0.587 175.371 176.094 -0.227 0.000 1.051 828 V CA -0.736 61.447 62.300 -0.194 0.000 0.893 828 V CB 1.860 33.520 31.823 -0.271 0.000 0.999 828 V HN 0.617 nan 8.190 nan 0.000 0.426 829 Q N 3.388 122.971 119.800 -0.361 0.000 2.327 829 Q HA 0.647 4.988 4.340 0.001 0.000 0.270 829 Q C -1.673 174.115 176.000 -0.352 0.000 1.022 829 Q CA -0.235 55.426 55.803 -0.236 0.000 0.773 829 Q CB 2.399 31.055 28.738 -0.138 0.000 1.251 829 Q HN 0.662 nan 8.270 nan 0.000 0.457 830 F N 0.528 120.467 119.950 -0.018 0.000 2.575 830 F HA 0.812 5.340 4.527 0.001 0.000 0.330 830 F C 0.011 175.790 175.800 -0.034 0.000 1.056 830 F CA -1.113 56.891 58.000 0.006 0.000 0.964 830 F CB 1.623 40.629 39.000 0.010 0.000 1.258 830 F HN 0.462 nan 8.300 nan 0.000 0.484 831 A N 0.860 123.831 122.820 0.252 0.000 2.374 831 A HA 0.777 5.098 4.320 0.001 0.000 0.305 831 A C -1.715 175.959 177.584 0.150 0.000 1.053 831 A CA -0.677 51.416 52.037 0.093 0.000 0.726 831 A CB 1.258 20.240 19.000 -0.030 0.000 1.229 831 A HN 0.499 nan 8.150 nan 0.000 0.431 832 V N 2.382 122.326 119.914 0.051 0.000 2.384 832 V HA 0.602 4.723 4.120 0.001 0.000 0.287 832 V C -0.003 176.093 176.094 0.003 0.000 1.020 832 V CA -0.445 61.890 62.300 0.058 0.000 0.850 832 V CB 1.304 33.120 31.823 -0.011 0.000 0.987 832 V HN 0.879 nan 8.190 nan 0.000 0.436 833 K N 3.617 124.054 120.400 0.063 0.000 2.535 833 K HA 0.408 4.729 4.320 0.001 0.000 0.250 833 K C -0.035 176.608 176.600 0.071 0.000 0.948 833 K CA -0.647 55.638 56.287 -0.003 0.000 0.796 833 K CB 1.050 33.463 32.500 -0.145 0.000 1.216 833 K HN 0.777 nan 8.250 nan 0.000 0.432 834 N N 3.644 122.353 118.700 0.015 0.000 2.725 834 N HA -0.283 4.458 4.740 0.001 0.000 0.251 834 N C -0.738 174.785 175.510 0.022 0.000 1.031 834 N CA 0.878 53.939 53.050 0.018 0.000 0.720 834 N CB -1.095 37.409 38.487 0.028 0.000 0.930 834 N HN 0.949 nan 8.380 nan 0.000 0.543 835 N N -0.656 118.047 118.700 0.004 0.000 2.754 835 N HA -0.207 4.534 4.740 0.001 0.000 0.248 835 N C -1.474 174.033 175.510 -0.005 0.000 1.093 835 N CA 1.142 54.184 53.050 -0.013 0.000 0.699 835 N CB -0.268 38.203 38.487 -0.026 0.000 1.016 835 N HN 0.558 nan 8.380 nan 0.000 0.552 836 E N 0.057 120.283 120.200 0.043 0.000 2.290 836 E HA 0.300 4.650 4.350 0.001 0.000 0.274 836 E C -0.648 176.005 176.600 0.088 0.000 0.889 836 E CA -0.734 55.677 56.400 0.019 0.000 0.760 836 E CB 2.562 32.270 29.700 0.014 0.000 1.206 836 E HN -0.060 nan 8.360 nan 0.000 0.419 837 V N 3.265 123.153 119.914 -0.042 0.000 2.498 837 V HA 0.270 4.391 4.120 0.001 0.000 0.279 837 V C -0.868 175.234 176.094 0.012 0.000 1.048 837 V CA -0.125 62.190 62.300 0.026 0.000 0.967 837 V CB 0.001 31.764 31.823 -0.101 0.000 0.988 837 V HN 0.547 nan 8.190 nan 0.000 0.473 838 Y N 3.877 124.257 120.300 0.133 0.000 2.446 838 Y HA 0.528 5.079 4.550 0.002 0.000 0.345 838 Y C -0.204 175.831 175.900 0.226 0.000 0.984 838 Y CA -1.155 57.028 58.100 0.139 0.000 1.058 838 Y CB 1.863 40.363 38.460 0.067 0.000 1.220 838 Y HN 0.357 nan 8.280 nan 0.000 0.455 839 L N 3.820 125.223 121.223 0.300 0.000 2.305 839 L HA 0.315 4.656 4.340 0.001 0.000 0.281 839 L C 0.169 177.110 176.870 0.117 0.000 1.085 839 L CA 0.516 55.436 54.840 0.134 0.000 0.813 839 L CB 0.605 42.746 42.059 0.137 0.000 1.157 839 L HN 0.812 nan 8.230 nan 0.000 0.436 840 I N 2.290 122.854 120.570 -0.009 0.000 3.300 840 I HA 0.119 4.290 4.170 0.001 0.000 0.279 840 I C 0.142 176.230 176.117 -0.050 0.000 1.172 840 I CA 0.174 61.478 61.300 0.008 0.000 1.431 840 I CB 0.606 38.587 38.000 -0.031 0.000 1.240 840 I HN 0.772 nan 8.210 nan 0.000 0.453 841 E N -0.872 119.227 120.200 -0.169 0.000 2.398 841 E HA 0.379 4.730 4.350 0.001 0.000 0.280 841 E C -1.679 174.700 176.600 -0.368 0.000 1.122 841 E CA -0.792 55.389 56.400 -0.365 0.000 0.873 841 E CB 1.801 31.318 29.700 -0.305 0.000 1.294 841 E HN -0.234 nan 8.360 nan 0.000 0.435 842 V N 1.877 121.482 119.914 -0.515 0.000 2.540 842 V HA 0.503 4.624 4.120 0.001 0.000 0.302 842 V C -0.985 174.974 176.094 -0.224 0.000 1.035 842 V CA -0.915 61.213 62.300 -0.287 0.000 0.873 842 V CB 1.775 33.511 31.823 -0.145 0.000 0.992 842 V HN 0.638 nan 8.190 nan 0.000 0.428 843 N N 5.766 124.398 118.700 -0.114 0.000 2.524 843 N HA 0.348 5.089 4.740 0.001 0.000 0.261 843 N C -2.762 172.741 175.510 -0.012 0.000 0.998 843 N CA -1.261 51.755 53.050 -0.057 0.000 0.915 843 N CB 2.496 40.973 38.487 -0.016 0.000 1.187 843 N HN 0.365 nan 8.380 nan 0.000 0.507 844 P HA 0.147 nan 4.420 nan 0.000 0.218 844 P C -0.413 176.919 177.300 0.053 0.000 1.793 844 P CA 0.103 63.218 63.100 0.024 0.000 0.941 844 P CB -0.126 31.586 31.700 0.019 0.000 1.919 845 R N -1.376 119.169 120.500 0.076 0.000 2.832 845 R HA 0.677 5.017 4.340 0.001 0.000 0.283 845 R C -1.362 175.025 176.300 0.145 0.000 0.998 845 R CA -1.141 55.036 56.100 0.129 0.000 0.843 845 R CB -0.092 30.275 30.300 0.111 0.000 1.332 845 R HN -0.099 nan 8.270 nan 0.000 0.490 846 A N 0.700 123.636 122.820 0.193 0.000 2.520 846 A HA 0.533 4.854 4.320 0.001 0.000 0.245 846 A C 0.195 177.900 177.584 0.201 0.000 1.072 846 A CA 0.487 52.583 52.037 0.098 0.000 0.761 846 A CB -0.114 18.814 19.000 -0.120 0.000 1.004 846 A HN 0.847 nan 8.150 nan 0.000 0.499 847 A N 2.099 124.980 122.820 0.102 0.000 2.299 847 A HA 0.626 4.947 4.320 0.001 0.000 0.332 847 A C 1.240 178.748 177.584 -0.126 0.000 1.131 847 A CA -0.291 51.822 52.037 0.127 0.000 0.844 847 A CB 0.560 19.615 19.000 0.092 0.000 1.251 847 A HN 1.058 nan 8.150 nan 0.000 0.486 848 R N -0.545 119.825 120.500 -0.218 0.000 2.241 848 R HA -0.105 4.236 4.340 0.001 0.000 0.224 848 R C 0.942 177.082 176.300 -0.267 0.000 1.101 848 R CA 2.028 57.832 56.100 -0.493 0.000 0.995 848 R CB -0.993 29.070 30.300 -0.395 0.000 0.870 848 R HN 0.652 nan 8.270 nan 0.000 0.463 849 T N -1.693 112.793 114.554 -0.113 0.000 3.085 849 T HA 0.092 4.443 4.350 0.001 0.000 0.263 849 T C 1.906 176.613 174.700 0.011 0.000 1.127 849 T CA 0.455 62.543 62.100 -0.021 0.000 1.103 849 T CB -0.063 68.841 68.868 0.060 0.000 0.921 849 T HN 0.026 nan 8.240 nan 0.000 0.510 850 V N 3.062 122.931 119.914 -0.074 0.000 2.250 850 V HA -0.159 3.962 4.120 0.001 0.000 0.250 850 V C -0.085 175.955 176.094 -0.090 0.000 1.060 850 V CA 2.206 64.467 62.300 -0.065 0.000 1.030 850 V CB -1.486 30.276 31.823 -0.102 0.000 0.643 850 V HN 0.410 nan 8.190 nan 0.000 0.445 851 P HA -0.202 nan 4.420 nan 0.000 0.215 851 P C 1.742 178.923 177.300 -0.199 0.000 1.157 851 P CA 1.637 64.451 63.100 -0.477 0.000 0.868 851 P CB -0.196 30.922 31.700 -0.969 0.000 0.788 852 F N 0.503 120.319 119.950 -0.223 0.000 2.134 852 F HA -0.183 4.344 4.527 0.002 0.000 0.299 852 F C 1.862 177.639 175.800 -0.039 0.000 1.097 852 F CA 1.322 59.254 58.000 -0.113 0.000 1.264 852 F CB -0.864 38.081 39.000 -0.091 0.000 1.001 852 F HN -0.316 nan 8.300 nan 0.000 0.479 853 V N 0.011 119.903 119.914 -0.037 0.000 2.343 853 V HA -0.299 3.822 4.120 0.001 0.000 0.247 853 V C 2.446 178.452 176.094 -0.146 0.000 1.051 853 V CA 2.092 64.313 62.300 -0.132 0.000 1.036 853 V CB -1.069 30.773 31.823 0.032 0.000 0.654 853 V HN 0.411 nan 8.190 nan 0.000 0.451 854 S N -0.513 115.146 115.700 -0.068 0.000 2.368 854 S HA -0.206 4.265 4.470 0.001 0.000 0.225 854 S C 2.044 176.635 174.600 -0.015 0.000 1.030 854 S CA 1.444 59.639 58.200 -0.008 0.000 0.999 854 S CB -0.281 62.990 63.200 0.119 0.000 0.844 854 S HN 0.415 nan 8.310 nan 0.000 0.459 855 K N 1.829 122.216 120.400 -0.022 0.000 2.097 855 K HA 0.208 4.529 4.320 0.001 0.000 0.205 855 K C 2.061 178.705 176.600 0.074 0.000 1.050 855 K CA 1.113 57.441 56.287 0.069 0.000 0.938 855 K CB -0.631 31.866 32.500 -0.005 0.000 0.718 855 K HN 0.304 nan 8.250 nan 0.000 0.442 856 A N -0.300 122.413 122.820 -0.178 0.000 1.968 856 A HA -0.087 4.234 4.320 0.001 0.000 0.217 856 A C 1.951 179.506 177.584 -0.048 0.000 1.169 856 A CA 1.931 53.894 52.037 -0.123 0.000 0.638 856 A CB -0.600 18.122 19.000 -0.462 0.000 0.812 856 A HN 0.448 nan 8.150 nan 0.000 0.446 857 T N -5.608 108.855 114.554 -0.153 0.000 3.023 857 T HA 0.422 4.772 4.350 0.001 0.000 0.253 857 T C 1.369 175.880 174.700 -0.315 0.000 1.038 857 T CA 1.078 63.065 62.100 -0.189 0.000 0.962 857 T CB 0.316 69.094 68.868 -0.149 0.000 1.018 857 T HN 1.614 nan 8.240 nan 0.000 0.521 858 G N 0.908 109.386 108.800 -0.537 0.000 2.184 858 G HA2 -0.226 3.735 3.960 0.001 0.000 0.264 858 G HA3 -0.226 3.735 3.960 0.001 0.000 0.264 858 G C 0.010 174.732 174.900 -0.297 0.000 0.975 858 G CA 0.123 44.713 45.100 -0.849 0.000 0.642 858 G HN 0.779 nan 8.290 nan 0.000 0.536 859 V N 1.899 121.715 119.914 -0.163 0.000 2.384 859 V HA 0.508 4.629 4.120 0.001 0.000 0.287 859 V C -1.868 174.225 176.094 -0.001 0.000 1.020 859 V CA -1.602 60.656 62.300 -0.070 0.000 0.850 859 V CB 2.019 33.808 31.823 -0.058 0.000 0.987 859 V HN 0.126 nan 8.190 nan 0.000 0.436 860 P HA 0.261 nan 4.420 nan 0.000 0.238 860 P C 0.981 178.336 177.300 0.093 0.000 1.794 860 P CA -0.161 62.992 63.100 0.087 0.000 1.088 860 P CB 0.450 32.119 31.700 -0.051 0.000 1.923 861 L N 1.519 122.805 121.223 0.104 0.000 2.043 861 L HA -0.269 4.072 4.340 0.001 0.000 0.212 861 L C 2.495 179.433 176.870 0.113 0.000 1.075 861 L CA 2.086 56.976 54.840 0.083 0.000 0.752 861 L CB -1.053 41.038 42.059 0.054 0.000 0.891 861 L HN 0.196 nan 8.230 nan 0.000 0.432 862 A N -0.110 122.800 122.820 0.150 0.000 1.933 862 A HA -0.193 4.128 4.320 0.001 0.000 0.218 862 A C 2.340 180.086 177.584 0.270 0.000 1.175 862 A CA 1.580 53.701 52.037 0.139 0.000 0.628 862 A CB -0.286 18.743 19.000 0.049 0.000 0.814 862 A HN 0.365 nan 8.150 nan 0.000 0.444 863 K N -0.453 120.044 120.400 0.162 0.000 2.103 863 K HA -0.009 4.312 4.320 0.001 0.000 0.204 863 K C 1.874 178.524 176.600 0.083 0.000 1.052 863 K CA 1.241 57.569 56.287 0.069 0.000 0.945 863 K CB -0.286 32.162 32.500 -0.087 0.000 0.722 863 K HN 0.324 nan 8.250 nan 0.000 0.443 864 V N 1.585 121.547 119.914 0.080 0.000 2.307 864 V HA -0.218 3.903 4.120 0.001 0.000 0.245 864 V C 2.386 178.540 176.094 0.099 0.000 1.045 864 V CA 2.081 64.424 62.300 0.071 0.000 1.024 864 V CB -0.694 31.162 31.823 0.055 0.000 0.651 864 V HN 0.324 nan 8.190 nan 0.000 0.449 865 A N -0.122 122.788 122.820 0.151 0.000 2.015 865 A HA -0.027 4.294 4.320 0.001 0.000 0.219 865 A C 2.379 180.060 177.584 0.162 0.000 1.163 865 A CA 1.839 53.985 52.037 0.181 0.000 0.646 865 A CB -0.617 18.541 19.000 0.263 0.000 0.806 865 A HN 0.557 nan 8.150 nan 0.000 0.448 866 A N 0.093 123.029 122.820 0.194 0.000 1.873 866 A HA -0.142 4.178 4.320 0.001 0.000 0.215 866 A C 2.228 179.805 177.584 -0.011 0.000 1.186 866 A CA 1.456 53.515 52.037 0.038 0.000 0.616 866 A CB -0.453 18.602 19.000 0.091 0.000 0.823 866 A HN 0.539 nan 8.150 nan 0.000 0.442 867 R N -0.678 119.842 120.500 0.033 0.000 2.083 867 R HA -0.108 4.233 4.340 0.001 0.000 0.237 867 R C 2.052 178.368 176.300 0.026 0.000 1.137 867 R CA 1.511 57.631 56.100 0.032 0.000 0.951 867 R CB -0.719 29.613 30.300 0.052 0.000 0.851 867 R HN 0.370 nan 8.270 nan 0.000 0.434 868 V N 1.411 121.346 119.914 0.036 0.000 2.255 868 V HA -0.325 3.796 4.120 0.001 0.000 0.247 868 V C 2.372 178.473 176.094 0.012 0.000 1.051 868 V CA 1.990 64.311 62.300 0.036 0.000 1.018 868 V CB -0.392 31.461 31.823 0.050 0.000 0.641 868 V HN 0.358 nan 8.190 nan 0.000 0.445 869 M N -0.341 119.251 119.600 -0.012 0.000 2.149 869 M HA -0.191 4.290 4.480 0.001 0.000 0.261 869 M C 2.113 178.369 176.300 -0.073 0.000 1.064 869 M CA 2.169 57.437 55.300 -0.053 0.000 1.102 869 M CB -0.495 32.036 32.600 -0.114 0.000 1.369 869 M HN 0.413 nan 8.290 nan 0.000 0.408 870 A N -0.850 121.915 122.820 -0.091 0.000 2.208 870 A HA 0.326 4.647 4.320 0.001 0.000 0.209 870 A C 1.644 179.230 177.584 0.002 0.000 1.161 870 A CA 1.066 53.032 52.037 -0.118 0.000 0.782 870 A CB -0.389 18.452 19.000 -0.265 0.000 0.816 870 A HN 0.655 nan 8.150 nan 0.000 0.477 871 G N -1.377 107.436 108.800 0.022 0.000 2.227 871 G HA2 -0.144 3.817 3.960 0.001 0.000 0.168 871 G HA3 -0.144 3.817 3.960 0.001 0.000 0.168 871 G C 0.096 175.029 174.900 0.056 0.000 1.006 871 G CA 0.097 45.226 45.100 0.048 0.000 0.684 871 G HN 0.451 nan 8.290 nan 0.000 0.489 872 K N 2.095 122.530 120.400 0.058 0.000 2.281 872 K HA 0.552 4.873 4.320 0.001 0.000 0.272 872 K C 1.098 177.726 176.600 0.047 0.000 1.048 872 K CA 0.218 56.538 56.287 0.055 0.000 0.898 872 K CB 0.754 33.293 32.500 0.065 0.000 1.128 872 K HN 0.400 nan 8.250 nan 0.000 0.460 873 S N 3.334 119.060 115.700 0.043 0.000 2.587 873 S HA 0.026 4.497 4.470 0.001 0.000 0.260 873 S C 1.446 176.072 174.600 0.042 0.000 1.353 873 S CA -0.378 57.848 58.200 0.044 0.000 0.995 873 S CB 0.499 63.725 63.200 0.043 0.000 0.912 873 S HN 0.668 nan 8.310 nan 0.000 0.568 874 L N 1.280 122.530 121.223 0.046 0.000 2.131 874 L HA -0.067 4.274 4.340 0.001 0.000 0.210 874 L C 2.956 179.845 176.870 0.033 0.000 1.092 874 L CA 1.532 56.396 54.840 0.040 0.000 0.759 874 L CB -1.034 41.051 42.059 0.044 0.000 0.903 874 L HN 0.935 nan 8.230 nan 0.000 0.435 875 A N -0.113 122.728 122.820 0.034 0.000 1.872 875 A HA -0.178 4.143 4.320 0.001 0.000 0.214 875 A C 2.118 179.716 177.584 0.023 0.000 1.187 875 A CA 1.214 53.267 52.037 0.027 0.000 0.614 875 A CB -0.406 18.611 19.000 0.028 0.000 0.826 875 A HN 0.374 nan 8.150 nan 0.000 0.442 876 E N -0.173 120.042 120.200 0.025 0.000 2.147 876 E HA -0.274 4.077 4.350 0.001 0.000 0.199 876 E C 2.184 178.797 176.600 0.022 0.000 1.005 876 E CA 1.707 58.120 56.400 0.023 0.000 0.810 876 E CB -0.195 29.521 29.700 0.027 0.000 0.736 876 E HN 0.728 nan 8.360 nan 0.000 0.460 877 Q N -1.108 118.706 119.800 0.024 0.000 2.311 877 Q HA 0.020 4.361 4.340 0.001 0.000 0.203 877 Q C 1.060 177.069 176.000 0.015 0.000 0.954 877 Q CA 0.594 56.410 55.803 0.022 0.000 0.885 877 Q CB 0.587 29.341 28.738 0.026 0.000 0.963 877 Q HN 0.405 nan 8.270 nan 0.000 0.471 878 G N 0.643 109.452 108.800 0.015 0.000 2.171 878 G HA2 -0.201 3.760 3.960 0.001 0.000 0.238 878 G HA3 -0.201 3.760 3.960 0.001 0.000 0.238 878 G C -0.255 174.649 174.900 0.007 0.000 1.039 878 G CA 0.033 45.139 45.100 0.010 0.000 0.759 878 G HN 0.181 nan 8.290 nan 0.000 0.501 879 V N 0.971 120.892 119.914 0.011 0.000 2.380 879 V HA 0.654 4.775 4.120 0.001 0.000 0.272 879 V C 0.766 176.867 176.094 0.011 0.000 1.011 879 V CA 0.381 62.685 62.300 0.007 0.000 0.826 879 V CB 1.034 32.862 31.823 0.009 0.000 1.040 879 V HN 0.848 nan 8.190 nan 0.000 0.441 880 T N -0.454 114.105 114.554 0.007 0.000 3.130 880 T HA 0.368 4.719 4.350 0.001 0.000 0.288 880 T C 0.196 174.899 174.700 0.006 0.000 0.936 880 T CA -0.355 61.752 62.100 0.012 0.000 0.897 880 T CB 0.469 69.347 68.868 0.017 0.000 1.178 880 T HN 0.299 nan 8.240 nan 0.000 0.543 881 K N 2.341 122.739 120.400 -0.004 0.000 2.270 881 K HA 0.486 4.807 4.320 0.001 0.000 0.255 881 K C -0.453 176.136 176.600 -0.019 0.000 0.936 881 K CA -0.610 55.671 56.287 -0.010 0.000 0.809 881 K CB 1.945 34.438 32.500 -0.012 0.000 1.131 881 K HN 0.330 nan 8.250 nan 0.000 0.427 882 E N 2.161 122.348 120.200 -0.021 0.000 2.414 882 E HA 0.051 4.402 4.350 0.001 0.000 0.263 882 E C -0.940 175.633 176.600 -0.045 0.000 1.000 882 E CA -0.166 56.216 56.400 -0.029 0.000 0.914 882 E CB 0.610 30.295 29.700 -0.025 0.000 0.948 882 E HN 0.181 nan 8.360 nan 0.000 0.444 883 V N 6.741 126.620 119.914 -0.058 0.000 2.370 883 V HA 0.236 4.356 4.120 0.001 0.000 0.283 883 V C 0.077 176.108 176.094 -0.106 0.000 1.023 883 V CA -0.613 61.637 62.300 -0.083 0.000 0.857 883 V CB 1.296 33.061 31.823 -0.098 0.000 0.985 883 V HN 0.599 nan 8.190 nan 0.000 0.443 884 I N 7.284 127.783 120.570 -0.119 0.000 2.412 884 I HA 0.329 4.500 4.170 0.001 0.000 0.279 884 I C -2.053 173.930 176.117 -0.223 0.000 1.063 884 I CA -1.797 59.412 61.300 -0.152 0.000 1.193 884 I CB 1.295 39.223 38.000 -0.120 0.000 1.370 884 I HN 0.447 nan 8.210 nan 0.000 0.479 885 P HA 0.111 nan 4.420 nan 0.000 0.267 885 P C -1.990 174.982 177.300 -0.547 0.000 1.201 885 P CA -0.797 61.980 63.100 -0.539 0.000 0.775 885 P CB -0.119 31.023 31.700 -0.930 0.000 0.854 886 P HA 0.010 nan 4.420 nan 0.000 0.245 886 P C -0.352 176.814 177.300 -0.222 0.000 1.212 886 P CA 0.815 63.750 63.100 -0.274 0.000 0.774 886 P CB -0.187 31.457 31.700 -0.092 0.000 0.999 887 Y N -3.077 117.180 120.300 -0.072 0.000 2.633 887 Y HA 0.641 5.192 4.550 0.001 0.000 0.339 887 Y C -0.304 175.551 175.900 -0.075 0.000 1.045 887 Y CA -2.196 55.887 58.100 -0.029 0.000 1.098 887 Y CB 0.174 38.647 38.460 0.021 0.000 1.296 887 Y HN -0.346 nan 8.280 nan 0.000 0.494 888 Y N 0.569 121.029 120.300 0.267 0.000 2.299 888 Y HA 0.512 5.063 4.550 0.002 0.000 0.326 888 Y C 0.007 176.068 175.900 0.269 0.000 1.164 888 Y CA 0.031 58.265 58.100 0.222 0.000 1.234 888 Y CB 1.776 40.350 38.460 0.190 0.000 1.219 888 Y HN 0.616 nan 8.280 nan 0.000 0.497 889 S N 2.319 118.270 115.700 0.419 0.000 2.552 889 S HA 0.593 5.064 4.470 0.001 0.000 0.314 889 S C -1.061 173.819 174.600 0.466 0.000 1.099 889 S CA -0.707 57.700 58.200 0.344 0.000 1.070 889 S CB 1.009 64.291 63.200 0.137 0.000 0.998 889 S HN 0.335 nan 8.310 nan 0.000 0.474 890 V N 4.171 124.285 119.914 0.333 0.000 2.555 890 V HA 0.527 4.648 4.120 0.001 0.000 0.302 890 V C -0.046 176.116 176.094 0.113 0.000 1.038 890 V CA -0.770 61.659 62.300 0.215 0.000 0.887 890 V CB 1.903 33.708 31.823 -0.030 0.000 0.991 890 V HN 0.687 nan 8.190 nan 0.000 0.434 891 K N 3.367 123.688 120.400 -0.132 0.000 2.244 891 K HA 0.623 4.944 4.320 0.001 0.000 0.260 891 K C -0.987 175.461 176.600 -0.254 0.000 0.951 891 K CA -0.408 55.656 56.287 -0.371 0.000 0.826 891 K CB 1.972 33.868 32.500 -1.006 0.000 1.108 891 K HN 0.791 nan 8.250 nan 0.000 0.433 892 E N 2.577 122.643 120.200 -0.223 0.000 2.336 892 E HA 0.380 4.731 4.350 0.001 0.000 0.267 892 E C -1.257 175.255 176.600 -0.147 0.000 0.906 892 E CA -0.872 55.415 56.400 -0.188 0.000 0.781 892 E CB 1.728 31.270 29.700 -0.264 0.000 1.261 892 E HN 0.354 nan 8.360 nan 0.000 0.436 893 V N 0.399 120.251 119.914 -0.103 0.000 3.193 893 V HA 0.870 4.991 4.120 0.001 0.000 0.320 893 V C -0.364 175.693 176.094 -0.061 0.000 1.112 893 V CA -0.530 61.720 62.300 -0.083 0.000 1.026 893 V CB 1.539 33.321 31.823 -0.069 0.000 1.128 893 V HN 0.652 nan 8.190 nan 0.000 0.452 894 V N 0.407 120.287 119.914 -0.057 0.000 2.531 894 V HA 0.734 4.855 4.120 0.001 0.000 0.301 894 V C -0.633 175.421 176.094 -0.067 0.000 1.034 894 V CA -0.567 61.705 62.300 -0.047 0.000 0.865 894 V CB 0.865 32.663 31.823 -0.042 0.000 0.995 894 V HN 0.864 nan 8.190 nan 0.000 0.424 895 L N 6.012 127.192 121.223 -0.073 0.000 2.334 895 L HA 0.648 4.988 4.340 0.001 0.000 0.275 895 L C -1.624 175.130 176.870 -0.194 0.000 1.036 895 L CA -1.465 53.259 54.840 -0.192 0.000 0.807 895 L CB 2.486 44.376 42.059 -0.282 0.000 1.231 895 L HN 0.448 nan 8.230 nan 0.000 0.438 896 P HA 0.105 nan 4.420 nan 0.000 0.262 896 P C 1.114 178.302 177.300 -0.186 0.000 1.304 896 P CA 0.048 63.009 63.100 -0.231 0.000 0.859 896 P CB 0.096 31.674 31.700 -0.203 0.000 1.310 897 F N 2.410 122.392 119.950 0.054 0.000 2.184 897 F HA -0.218 4.310 4.527 0.002 0.000 0.301 897 F C 2.098 177.900 175.800 0.003 0.000 1.076 897 F CA 1.454 59.508 58.000 0.091 0.000 1.295 897 F CB -1.633 37.455 39.000 0.147 0.000 1.026 897 F HN 0.128 nan 8.300 nan 0.000 0.494 898 N N 0.352 119.113 118.700 0.101 0.000 2.520 898 N HA -0.154 4.587 4.740 0.001 0.000 0.185 898 N C 1.165 176.594 175.510 -0.135 0.000 1.068 898 N CA 0.881 53.933 53.050 0.004 0.000 0.911 898 N CB -0.353 38.130 38.487 -0.006 0.000 0.961 898 N HN 0.176 nan 8.380 nan 0.000 0.446 899 K N -0.145 120.059 120.400 -0.327 0.000 2.400 899 K HA 0.113 4.434 4.320 0.001 0.000 0.194 899 K C -0.402 175.726 176.600 -0.786 0.000 1.033 899 K CA 0.194 56.081 56.287 -0.667 0.000 1.021 899 K CB 0.093 31.930 32.500 -1.106 0.000 0.808 899 K HN 0.227 nan 8.250 nan 0.000 0.505 900 F N 0.973 120.886 119.950 -0.062 0.000 2.710 900 F HA 0.266 4.794 4.527 0.001 0.000 0.345 900 F C -1.815 174.012 175.800 0.044 0.000 1.362 900 F CA -2.541 55.450 58.000 -0.015 0.000 1.175 900 F CB 1.364 40.309 39.000 -0.092 0.000 1.561 900 F HN -0.172 nan 8.300 nan 0.000 0.593 901 P HA -0.167 nan 4.420 nan 0.000 0.217 901 P C 1.801 179.161 177.300 0.101 0.000 1.148 901 P CA 1.577 64.731 63.100 0.090 0.000 0.834 901 P CB 0.220 31.938 31.700 0.029 0.000 0.783 902 G N -0.454 108.426 108.800 0.133 0.000 2.559 902 G HA2 -0.032 3.929 3.960 0.001 0.000 0.216 902 G HA3 -0.032 3.929 3.960 0.001 0.000 0.216 902 G C 0.545 175.515 174.900 0.118 0.000 1.126 902 G CA 0.095 45.258 45.100 0.105 0.000 0.778 902 G HN 0.226 nan 8.290 nan 0.000 0.543 903 V N 0.762 120.786 119.914 0.183 0.000 2.644 903 V HA 0.222 4.343 4.120 0.001 0.000 0.295 903 V C -0.308 175.822 176.094 0.060 0.000 1.053 903 V CA -1.015 61.404 62.300 0.198 0.000 0.987 903 V CB 1.850 33.923 31.823 0.416 0.000 1.006 903 V HN 0.168 nan 8.190 nan 0.000 0.472 904 D N 5.752 126.142 120.400 -0.017 0.000 2.325 904 D HA 0.224 4.864 4.640 0.001 0.000 0.251 904 D C -2.136 173.915 176.300 -0.416 0.000 1.196 904 D CA -2.199 51.711 54.000 -0.150 0.000 0.866 904 D CB 1.524 42.267 40.800 -0.095 0.000 1.101 904 D HN 0.255 nan 8.370 nan 0.000 0.476 905 P HA 0.106 nan 4.420 nan 0.000 0.237 905 P C -0.679 176.151 177.300 -0.783 0.000 1.701 905 P CA -0.334 61.939 63.100 -1.378 0.000 0.955 905 P CB -0.320 31.063 31.700 -0.528 0.000 1.937 906 L N 0.865 121.745 121.223 -0.571 0.000 2.346 906 L HA 0.384 4.725 4.340 0.001 0.000 0.274 906 L C -0.407 176.504 176.870 0.069 0.000 1.007 906 L CA -1.131 53.628 54.840 -0.136 0.000 0.818 906 L CB 1.283 43.288 42.059 -0.090 0.000 1.284 906 L HN -0.063 nan 8.230 nan 0.000 0.424 907 L N 3.766 125.068 121.223 0.131 0.000 2.466 907 L HA 0.766 5.106 4.340 0.001 0.000 0.257 907 L C 0.706 177.650 176.870 0.123 0.000 1.189 907 L CA 0.115 55.060 54.840 0.176 0.000 0.813 907 L CB 0.708 42.857 42.059 0.150 0.000 1.118 907 L HN 0.858 nan 8.230 nan 0.000 0.471 908 G N 0.061 108.935 108.800 0.123 0.000 2.430 908 G HA2 0.271 4.232 3.960 0.001 0.000 0.300 908 G HA3 0.271 4.232 3.960 0.001 0.000 0.300 908 G C -2.663 172.294 174.900 0.095 0.000 1.330 908 G CA -0.361 44.785 45.100 0.077 0.000 0.813 908 G HN 0.325 nan 8.290 nan 0.000 0.487 909 P HA -0.004 nan 4.420 nan 0.000 0.228 909 P C 0.322 177.723 177.300 0.169 0.000 1.151 909 P CA 1.042 64.190 63.100 0.079 0.000 0.770 909 P CB 0.424 32.113 31.700 -0.017 0.000 0.786 910 E N -0.044 120.216 120.200 0.099 0.000 2.166 910 E HA 0.333 4.684 4.350 0.001 0.000 0.275 910 E C -0.451 176.098 176.600 -0.084 0.000 0.941 910 E CA -1.062 55.348 56.400 0.017 0.000 0.784 910 E CB 0.930 30.598 29.700 -0.053 0.000 1.115 910 E HN -0.099 nan 8.360 nan 0.000 0.399 911 M N 4.654 124.043 119.600 -0.351 0.000 2.188 911 M HA 0.173 4.654 4.480 0.001 0.000 0.354 911 M C -0.110 176.052 176.300 -0.230 0.000 1.342 911 M CA 0.360 55.431 55.300 -0.383 0.000 1.117 911 M CB 0.383 32.528 32.600 -0.760 0.000 1.670 911 M HN 0.496 nan 8.290 nan 0.000 0.466 912 R N 1.599 122.018 120.500 -0.135 0.000 2.469 912 R HA 0.176 4.517 4.340 0.001 0.000 0.250 912 R C 0.273 176.539 176.300 -0.056 0.000 0.909 912 R CA 0.228 56.267 56.100 -0.103 0.000 1.050 912 R CB 0.587 30.837 30.300 -0.082 0.000 1.256 912 R HN 0.849 nan 8.270 nan 0.000 0.550 913 S N -0.326 115.323 115.700 -0.086 0.000 2.568 913 S HA -0.003 4.468 4.470 0.001 0.000 0.282 913 S C 1.180 175.750 174.600 -0.050 0.000 1.338 913 S CA 0.308 58.461 58.200 -0.080 0.000 1.045 913 S CB 1.369 64.529 63.200 -0.067 0.000 0.873 913 S HN 0.328 nan 8.310 nan 0.000 0.516 914 T N -0.451 114.073 114.554 -0.049 0.000 3.015 914 T HA 0.525 4.876 4.350 0.001 0.000 0.250 914 T C 0.852 175.529 174.700 -0.038 0.000 1.057 914 T CA 0.238 62.319 62.100 -0.033 0.000 1.066 914 T CB -0.132 68.713 68.868 -0.037 0.000 0.959 914 T HN 1.163 nan 8.240 nan 0.000 0.488 915 G N 0.572 109.342 108.800 -0.051 0.000 2.619 915 G HA2 0.607 4.568 3.960 0.001 0.000 0.305 915 G HA3 0.607 4.568 3.960 0.001 0.000 0.305 915 G C -2.144 172.714 174.900 -0.069 0.000 1.330 915 G CA -0.740 44.328 45.100 -0.053 0.000 0.789 915 G HN 0.541 nan 8.290 nan 0.000 0.487 916 E N -2.077 118.079 120.200 -0.072 0.000 2.423 916 E HA 0.630 4.981 4.350 0.001 0.000 0.280 916 E C -1.218 175.338 176.600 -0.073 0.000 1.030 916 E CA -1.027 55.318 56.400 -0.091 0.000 0.812 916 E CB 2.118 31.740 29.700 -0.129 0.000 1.313 916 E HN 1.233 nan 8.360 nan 0.000 0.456 917 V N -1.464 118.400 119.914 -0.083 0.000 3.126 917 V HA 0.763 4.884 4.120 0.001 0.000 0.314 917 V C -0.616 175.456 176.094 -0.037 0.000 1.138 917 V CA -1.086 61.181 62.300 -0.054 0.000 1.034 917 V CB 1.918 33.703 31.823 -0.063 0.000 1.075 917 V HN 0.915 nan 8.190 nan 0.000 0.442 918 M N 1.779 121.387 119.600 0.013 0.000 2.465 918 M HA 0.825 5.305 4.480 0.001 0.000 0.316 918 M C -0.290 176.021 176.300 0.019 0.000 1.121 918 M CA -0.302 55.050 55.300 0.087 0.000 0.934 918 M CB 1.975 34.694 32.600 0.198 0.000 1.692 918 M HN 1.164 nan 8.290 nan 0.000 0.444 919 G N 3.271 112.080 108.800 0.014 0.000 2.487 919 G HA2 0.608 4.569 3.960 0.001 0.000 0.314 919 G HA3 0.608 4.569 3.960 0.001 0.000 0.314 919 G C -1.580 173.330 174.900 0.016 0.000 1.267 919 G CA -0.438 44.637 45.100 -0.042 0.000 0.937 919 G HN 0.586 nan 8.290 nan 0.000 0.481 920 V N 1.893 121.799 119.914 -0.014 0.000 2.370 920 V HA 0.876 4.997 4.120 0.001 0.000 0.283 920 V C 0.672 176.770 176.094 0.006 0.000 1.023 920 V CA -0.112 62.182 62.300 -0.011 0.000 0.857 920 V CB 1.027 32.763 31.823 -0.144 0.000 0.985 920 V HN 1.017 nan 8.190 nan 0.000 0.443 921 G N 3.436 112.300 108.800 0.107 0.000 2.690 921 G HA2 0.514 4.475 3.960 0.001 0.000 0.291 921 G HA3 0.514 4.475 3.960 0.001 0.000 0.291 921 G C -0.038 174.995 174.900 0.222 0.000 1.403 921 G CA -0.770 44.395 45.100 0.108 0.000 0.864 921 G HN 0.508 nan 8.290 nan 0.000 0.480 922 R N -1.104 119.497 120.500 0.169 0.000 2.148 922 R HA 0.114 4.455 4.340 0.001 0.000 0.223 922 R C 1.148 177.622 176.300 0.291 0.000 1.088 922 R CA 1.548 57.768 56.100 0.201 0.000 0.985 922 R CB 0.015 30.390 30.300 0.125 0.000 0.880 922 R HN 0.660 nan 8.270 nan 0.000 0.451 923 T N -4.772 109.933 114.554 0.251 0.000 2.883 923 T HA 0.193 4.544 4.350 0.001 0.000 0.296 923 T C 0.405 175.069 174.700 -0.059 0.000 1.117 923 T CA -0.914 61.313 62.100 0.212 0.000 1.006 923 T CB 1.214 70.143 68.868 0.102 0.000 1.191 923 T HN -0.001 nan 8.240 nan 0.000 0.508 924 F N 1.776 121.327 119.950 -0.665 0.000 2.095 924 F HA 0.044 4.572 4.527 0.001 0.000 0.298 924 F C 2.590 178.234 175.800 -0.260 0.000 1.104 924 F CA 2.222 59.751 58.000 -0.785 0.000 1.232 924 F CB -0.859 37.621 39.000 -0.866 0.000 0.987 924 F HN 0.790 nan 8.300 nan 0.000 0.475 925 A N -0.082 122.696 122.820 -0.070 0.000 1.917 925 A HA -0.299 4.022 4.320 0.001 0.000 0.219 925 A C 2.275 179.794 177.584 -0.108 0.000 1.182 925 A CA 2.092 54.096 52.037 -0.054 0.000 0.633 925 A CB -1.136 17.887 19.000 0.039 0.000 0.819 925 A HN 0.622 nan 8.150 nan 0.000 0.448 926 E N -0.453 119.699 120.200 -0.080 0.000 2.047 926 E HA -0.095 4.255 4.350 0.001 0.000 0.191 926 E C 2.271 178.809 176.600 -0.104 0.000 0.987 926 E CA 0.924 57.287 56.400 -0.061 0.000 0.799 926 E CB -0.253 29.442 29.700 -0.008 0.000 0.752 926 E HN 0.537 nan 8.360 nan 0.000 0.449 927 A N 0.764 123.508 122.820 -0.127 0.000 1.883 927 A HA -0.217 4.104 4.320 0.001 0.000 0.217 927 A C 2.029 179.465 177.584 -0.245 0.000 1.186 927 A CA 1.474 53.434 52.037 -0.128 0.000 0.624 927 A CB -1.034 17.935 19.000 -0.053 0.000 0.822 927 A HN 0.483 nan 8.150 nan 0.000 0.444 928 F N 0.713 120.333 119.950 -0.551 0.000 2.126 928 F HA -0.132 4.395 4.527 0.001 0.000 0.299 928 F C 2.574 178.194 175.800 -0.301 0.000 1.096 928 F CA 1.357 59.033 58.000 -0.539 0.000 1.255 928 F CB -0.254 38.234 39.000 -0.853 0.000 0.997 928 F HN 0.262 nan 8.300 nan 0.000 0.479 929 A N -0.207 122.521 122.820 -0.153 0.000 1.902 929 A HA -0.200 4.120 4.320 0.001 0.000 0.217 929 A C 2.189 179.643 177.584 -0.218 0.000 1.181 929 A CA 1.848 53.798 52.037 -0.146 0.000 0.623 929 A CB -0.604 18.346 19.000 -0.085 0.000 0.818 929 A HN 0.419 nan 8.150 nan 0.000 0.443 930 K N -0.341 119.940 120.400 -0.200 0.000 2.057 930 K HA 0.037 4.358 4.320 0.001 0.000 0.206 930 K C 2.291 178.763 176.600 -0.213 0.000 1.050 930 K CA 1.007 57.190 56.287 -0.173 0.000 0.935 930 K CB -0.292 32.136 32.500 -0.120 0.000 0.715 930 K HN 0.427 nan 8.250 nan 0.000 0.439 931 A N 1.220 123.859 122.820 -0.300 0.000 1.877 931 A HA -0.276 4.045 4.320 0.001 0.000 0.216 931 A C 2.148 179.501 177.584 -0.385 0.000 1.186 931 A CA 1.692 53.524 52.037 -0.342 0.000 0.620 931 A CB -0.589 18.138 19.000 -0.455 0.000 0.822 931 A HN 0.384 nan 8.150 nan 0.000 0.443 932 Q N -0.975 118.504 119.800 -0.535 0.000 2.050 932 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 932 Q C 2.007 177.874 176.000 -0.222 0.000 0.980 932 Q CA 1.727 57.283 55.803 -0.411 0.000 0.840 932 Q CB -0.258 28.207 28.738 -0.456 0.000 0.898 932 Q HN 0.524 nan 8.270 nan 0.000 0.424 933 L N 0.407 121.511 121.223 -0.198 0.000 2.046 933 L HA -0.034 4.307 4.340 0.001 0.000 0.208 933 L C 2.163 178.985 176.870 -0.080 0.000 1.077 933 L CA 2.469 57.233 54.840 -0.127 0.000 0.747 933 L CB -1.109 40.861 42.059 -0.148 0.000 0.896 933 L HN 0.307 nan 8.230 nan 0.000 0.432 934 G N -1.462 107.277 108.800 -0.102 0.000 2.450 934 G HA2 -0.295 3.666 3.960 0.001 0.000 0.220 934 G HA3 -0.295 3.666 3.960 0.001 0.000 0.220 934 G C 1.491 176.354 174.900 -0.061 0.000 1.130 934 G CA 0.949 46.008 45.100 -0.069 0.000 0.760 934 G HN 0.600 nan 8.290 nan 0.000 0.557 935 S N -0.439 115.210 115.700 -0.086 0.000 2.720 935 S HA 0.035 4.506 4.470 0.001 0.000 0.222 935 S C 1.037 175.625 174.600 -0.020 0.000 0.958 935 S CA 0.718 58.881 58.200 -0.062 0.000 0.943 935 S CB -0.687 62.463 63.200 -0.083 0.000 0.779 935 S HN 0.588 nan 8.310 nan 0.000 0.526 936 N N 0.341 119.037 118.700 -0.007 0.000 2.818 936 N HA -0.194 4.547 4.740 0.001 0.000 0.250 936 N C -0.350 175.191 175.510 0.052 0.000 1.108 936 N CA 0.579 53.645 53.050 0.025 0.000 0.745 936 N CB -1.582 36.918 38.487 0.021 0.000 1.104 936 N HN 0.596 nan 8.380 nan 0.000 0.557 937 S N -0.025 115.700 115.700 0.042 0.000 2.549 937 S HA 0.212 4.682 4.470 0.001 0.000 0.279 937 S C 1.435 176.086 174.600 0.084 0.000 1.321 937 S CA 0.590 58.846 58.200 0.093 0.000 1.054 937 S CB 1.139 64.342 63.200 0.004 0.000 0.899 937 S HN 0.301 nan 8.310 nan 0.000 0.497 938 T N 3.108 117.755 114.554 0.156 0.000 3.278 938 T HA 0.228 4.579 4.350 0.001 0.000 0.251 938 T C 0.500 175.275 174.700 0.125 0.000 1.039 938 T CA -0.516 61.667 62.100 0.139 0.000 0.935 938 T CB -0.451 68.520 68.868 0.171 0.000 1.034 938 T HN 0.566 nan 8.240 nan 0.000 0.575 939 M N 3.417 123.037 119.600 0.035 0.000 2.251 939 M HA 0.202 4.683 4.480 0.001 0.000 0.343 939 M C -0.284 176.014 176.300 -0.004 0.000 1.245 939 M CA -0.243 55.036 55.300 -0.035 0.000 1.061 939 M CB 0.019 32.423 32.600 -0.326 0.000 1.723 939 M HN 0.144 nan 8.290 nan 0.000 0.449 940 K N 4.772 125.188 120.400 0.027 0.000 2.267 940 K HA 0.347 4.668 4.320 0.001 0.000 0.246 940 K C -0.148 176.444 176.600 -0.014 0.000 0.954 940 K CA -0.834 55.414 56.287 -0.066 0.000 0.824 940 K CB 1.374 33.702 32.500 -0.287 0.000 1.167 940 K HN 0.586 nan 8.250 nan 0.000 0.431 941 K N 1.815 122.207 120.400 -0.013 0.000 2.522 941 K HA -0.011 4.310 4.320 0.001 0.000 0.194 941 K C 0.373 176.910 176.600 -0.105 0.000 1.026 941 K CA 0.444 56.765 56.287 0.057 0.000 1.119 941 K CB -0.243 32.298 32.500 0.069 0.000 0.856 941 K HN 0.665 nan 8.250 nan 0.000 0.513 942 H N -2.855 115.955 119.070 -0.434 0.000 2.981 942 H HA 0.532 5.089 4.556 0.001 0.000 0.327 942 H C 0.009 174.822 175.328 -0.857 0.000 1.342 942 H CA -0.235 55.318 56.048 -0.824 0.000 1.123 942 H CB 1.256 30.807 29.762 -0.352 0.000 1.851 942 H HN 0.087 nan 8.280 nan 0.000 0.531 943 G N 0.604 109.029 108.800 -0.625 0.000 2.297 943 G HA2 0.013 3.974 3.960 0.001 0.000 0.209 943 G HA3 0.013 3.974 3.960 0.001 0.000 0.209 943 G C -1.438 173.508 174.900 0.076 0.000 1.267 943 G CA -0.451 44.561 45.100 -0.147 0.000 1.127 943 G HN 0.823 nan 8.290 nan 0.000 0.498 944 R N 0.237 120.923 120.500 0.310 0.000 2.562 944 R HA 0.734 5.075 4.340 0.001 0.000 0.298 944 R C -0.186 176.449 176.300 0.559 0.000 0.961 944 R CA 0.056 56.410 56.100 0.424 0.000 0.881 944 R CB 1.482 31.968 30.300 0.310 0.000 1.159 944 R HN 1.472 nan 8.270 nan 0.000 0.450 945 A N 4.249 127.335 122.820 0.443 0.000 2.337 945 A HA 0.527 4.848 4.320 0.001 0.000 0.329 945 A C -1.453 176.122 177.584 -0.014 0.000 1.146 945 A CA -0.761 51.411 52.037 0.226 0.000 0.800 945 A CB 1.369 20.448 19.000 0.132 0.000 1.220 945 A HN 0.621 nan 8.150 nan 0.000 0.472 946 L N 2.299 123.321 121.223 -0.336 0.000 2.307 946 L HA 0.751 5.091 4.340 0.001 0.000 0.284 946 L C -1.556 175.117 176.870 -0.328 0.000 1.023 946 L CA -0.333 54.202 54.840 -0.509 0.000 0.810 946 L CB 1.219 42.604 42.059 -1.125 0.000 1.231 946 L HN 0.502 nan 8.230 nan 0.000 0.423 947 L N 4.510 125.605 121.223 -0.212 0.000 2.349 947 L HA 0.668 5.008 4.340 0.001 0.000 0.278 947 L C -0.163 176.631 176.870 -0.125 0.000 0.996 947 L CA 0.019 54.766 54.840 -0.156 0.000 0.825 947 L CB 1.748 43.750 42.059 -0.095 0.000 1.243 947 L HN 0.649 nan 8.230 nan 0.000 0.412 948 S N 2.547 118.176 115.700 -0.119 0.000 2.423 948 S HA 0.613 5.084 4.470 0.001 0.000 0.213 948 S C -0.911 173.650 174.600 -0.065 0.000 1.131 948 S CA -0.528 57.623 58.200 -0.083 0.000 1.155 948 S CB 0.513 63.654 63.200 -0.099 0.000 1.202 948 S HN 0.430 nan 8.310 nan 0.000 0.441 949 V N 2.968 122.857 119.914 -0.041 0.000 2.815 949 V HA 0.829 4.950 4.120 0.001 0.000 0.314 949 V C -0.025 176.064 176.094 -0.009 0.000 1.064 949 V CA -1.448 60.837 62.300 -0.024 0.000 0.952 949 V CB 1.415 33.227 31.823 -0.018 0.000 1.020 949 V HN 0.831 nan 8.190 nan 0.000 0.439 950 R N 1.212 121.711 120.500 -0.003 0.000 2.774 950 R HA 0.341 4.682 4.340 0.001 0.000 0.269 950 R C 0.996 177.302 176.300 0.010 0.000 1.068 950 R CA -0.231 55.867 56.100 -0.002 0.000 1.180 950 R CB 0.140 30.438 30.300 -0.004 0.000 1.077 950 R HN 0.706 nan 8.270 nan 0.000 0.513 951 E N 1.323 121.526 120.200 0.006 0.000 2.055 951 E HA -0.207 4.144 4.350 0.001 0.000 0.209 951 E C 2.120 178.737 176.600 0.027 0.000 1.036 951 E CA 2.393 58.801 56.400 0.014 0.000 0.849 951 E CB -0.959 28.744 29.700 0.005 0.000 0.767 951 E HN 0.879 nan 8.360 nan 0.000 0.461 952 G N 1.039 109.860 108.800 0.035 0.000 2.503 952 G HA2 -0.274 3.686 3.960 0.001 0.000 0.221 952 G HA3 -0.274 3.686 3.960 0.001 0.000 0.221 952 G C 1.179 176.111 174.900 0.053 0.000 1.131 952 G CA 1.200 46.329 45.100 0.050 0.000 0.756 952 G HN 0.236 nan 8.290 nan 0.000 0.572 953 D N 0.224 120.656 120.400 0.053 0.000 2.347 953 D HA 0.022 4.663 4.640 0.001 0.000 0.215 953 D C 2.266 178.600 176.300 0.056 0.000 0.976 953 D CA 0.358 54.396 54.000 0.064 0.000 0.884 953 D CB -0.033 40.802 40.800 0.059 0.000 0.915 953 D HN 0.313 nan 8.370 nan 0.000 0.526 954 K N 0.591 121.016 120.400 0.041 0.000 2.281 954 K HA -0.141 4.179 4.320 0.001 0.000 0.203 954 K C 1.872 178.497 176.600 0.042 0.000 1.046 954 K CA 0.743 57.051 56.287 0.035 0.000 0.938 954 K CB 0.198 32.715 32.500 0.027 0.000 0.737 954 K HN 0.200 nan 8.250 nan 0.000 0.458 955 E N 0.536 120.765 120.200 0.049 0.000 2.060 955 E HA -0.063 4.288 4.350 0.001 0.000 0.189 955 E C 1.806 178.449 176.600 0.073 0.000 0.974 955 E CA 0.622 57.052 56.400 0.050 0.000 0.808 955 E CB 0.249 29.974 29.700 0.041 0.000 0.768 955 E HN 0.188 nan 8.360 nan 0.000 0.453 956 R N 0.267 120.829 120.500 0.103 0.000 2.280 956 R HA -0.023 4.318 4.340 0.001 0.000 0.207 956 R C 2.273 178.713 176.300 0.233 0.000 1.043 956 R CA 0.164 56.371 56.100 0.179 0.000 1.006 956 R CB 0.001 30.442 30.300 0.235 0.000 0.885 956 R HN 0.081 nan 8.270 nan 0.000 0.467 957 V N 0.497 120.486 119.914 0.126 0.000 2.407 957 V HA -0.213 3.908 4.120 0.001 0.000 0.248 957 V C 2.031 178.154 176.094 0.048 0.000 1.055 957 V CA 1.593 63.928 62.300 0.058 0.000 1.049 957 V CB -0.061 31.773 31.823 0.018 0.000 0.662 957 V HN 0.094 nan 8.190 nan 0.000 0.455 958 V N 0.595 120.547 119.914 0.063 0.000 2.250 958 V HA -0.336 3.785 4.120 0.001 0.000 0.250 958 V C 2.472 178.607 176.094 0.069 0.000 1.060 958 V CA 2.749 65.081 62.300 0.052 0.000 1.030 958 V CB -0.916 30.936 31.823 0.047 0.000 0.643 958 V HN 0.687 nan 8.190 nan 0.000 0.445 959 D N -0.552 119.923 120.400 0.125 0.000 2.149 959 D HA -0.161 4.480 4.640 0.001 0.000 0.198 959 D C 1.926 178.320 176.300 0.156 0.000 0.990 959 D CA 1.249 55.353 54.000 0.173 0.000 0.839 959 D CB -0.185 40.777 40.800 0.270 0.000 0.948 959 D HN 0.327 nan 8.370 nan 0.000 0.460 960 L N 0.572 121.834 121.223 0.065 0.000 2.027 960 L HA 0.003 4.344 4.340 0.001 0.000 0.206 960 L C 2.224 179.030 176.870 -0.106 0.000 1.074 960 L CA 2.153 56.866 54.840 -0.212 0.000 0.745 960 L CB -1.110 40.630 42.059 -0.531 0.000 0.898 960 L HN 0.027 nan 8.230 nan 0.000 0.433 961 A N -0.320 122.469 122.820 -0.051 0.000 1.892 961 A HA -0.202 4.119 4.320 0.001 0.000 0.218 961 A C 2.461 180.050 177.584 0.009 0.000 1.188 961 A CA 2.283 54.309 52.037 -0.020 0.000 0.631 961 A CB -1.297 17.702 19.000 -0.001 0.000 0.822 961 A HN 0.610 nan 8.150 nan 0.000 0.447 962 A N 0.005 122.841 122.820 0.027 0.000 1.877 962 A HA -0.166 4.155 4.320 0.001 0.000 0.216 962 A C 2.075 179.685 177.584 0.044 0.000 1.186 962 A CA 1.773 53.835 52.037 0.042 0.000 0.620 962 A CB -0.503 18.528 19.000 0.051 0.000 0.822 962 A HN 0.583 nan 8.150 nan 0.000 0.443 963 K N -0.130 120.294 120.400 0.040 0.000 2.103 963 K HA -0.086 4.235 4.320 0.001 0.000 0.207 963 K C 1.796 178.406 176.600 0.016 0.000 1.048 963 K CA 1.382 57.690 56.287 0.035 0.000 0.930 963 K CB -0.458 32.068 32.500 0.045 0.000 0.716 963 K HN 0.467 nan 8.250 nan 0.000 0.444 964 L N 0.881 122.090 121.223 -0.024 0.000 2.093 964 L HA -0.147 4.194 4.340 0.001 0.000 0.208 964 L C 2.394 179.355 176.870 0.152 0.000 1.085 964 L CA 0.878 55.702 54.840 -0.027 0.000 0.755 964 L CB -0.419 41.556 42.059 -0.139 0.000 0.904 964 L HN 0.175 nan 8.230 nan 0.000 0.435 965 L N -0.231 121.057 121.223 0.109 0.000 2.017 965 L HA -0.259 4.082 4.340 0.001 0.000 0.208 965 L C 2.760 179.696 176.870 0.111 0.000 1.073 965 L CA 1.433 56.343 54.840 0.118 0.000 0.745 965 L CB -0.505 41.600 42.059 0.077 0.000 0.894 965 L HN 0.251 nan 8.230 nan 0.000 0.432 966 K N -0.320 120.133 120.400 0.089 0.000 2.044 966 K HA -0.239 4.082 4.320 0.001 0.000 0.210 966 K C 2.070 178.726 176.600 0.093 0.000 1.049 966 K CA 1.405 57.738 56.287 0.076 0.000 0.927 966 K CB -0.053 32.485 32.500 0.062 0.000 0.713 966 K HN 0.243 nan 8.250 nan 0.000 0.443 967 Q N -0.551 119.331 119.800 0.136 0.000 2.561 967 Q HA -0.077 4.264 4.340 0.001 0.000 0.217 967 Q C 0.649 176.742 176.000 0.156 0.000 0.980 967 Q CA 1.143 57.049 55.803 0.171 0.000 0.927 967 Q CB 0.271 29.147 28.738 0.230 0.000 0.980 967 Q HN 0.678 nan 8.270 nan 0.000 0.525 968 G N -0.006 108.877 108.800 0.138 0.000 2.132 968 G HA2 -0.258 3.703 3.960 0.001 0.000 0.228 968 G HA3 -0.258 3.703 3.960 0.001 0.000 0.228 968 G C -0.167 174.745 174.900 0.021 0.000 1.000 968 G CA -0.149 44.985 45.100 0.056 0.000 0.693 968 G HN 0.269 nan 8.290 nan 0.000 0.515 969 F N 0.478 120.458 119.950 0.051 0.000 2.370 969 F HA 0.636 5.164 4.527 0.001 0.000 0.319 969 F C 1.062 176.903 175.800 0.069 0.000 1.129 969 F CA -0.315 57.725 58.000 0.067 0.000 1.109 969 F CB 0.883 39.920 39.000 0.062 0.000 1.262 969 F HN 0.095 nan 8.300 nan 0.000 0.534 970 E N 0.850 121.221 120.200 0.286 0.000 2.222 970 E HA 0.619 4.969 4.350 0.001 0.000 0.267 970 E C -1.274 175.462 176.600 0.226 0.000 0.963 970 E CA -0.707 55.812 56.400 0.200 0.000 0.837 970 E CB 1.785 31.567 29.700 0.136 0.000 1.183 970 E HN 0.348 nan 8.360 nan 0.000 0.403 971 L N 1.260 122.577 121.223 0.157 0.000 2.341 971 L HA 0.576 4.917 4.340 0.001 0.000 0.267 971 L C -0.831 176.111 176.870 0.120 0.000 1.009 971 L CA -0.983 53.937 54.840 0.133 0.000 0.819 971 L CB 1.741 43.850 42.059 0.082 0.000 1.323 971 L HN 0.413 nan 8.230 nan 0.000 0.425 972 D N 0.668 121.132 120.400 0.105 0.000 2.547 972 D HA 0.867 5.508 4.640 0.001 0.000 0.231 972 D C -1.070 175.231 176.300 0.003 0.000 1.099 972 D CA -0.168 53.888 54.000 0.093 0.000 0.901 972 D CB 2.481 43.410 40.800 0.214 0.000 1.478 972 D HN 0.723 nan 8.370 nan 0.000 0.471 973 A N 0.054 122.873 122.820 -0.001 0.000 2.608 973 A HA 0.676 4.997 4.320 0.001 0.000 0.292 973 A C -0.411 177.163 177.584 -0.017 0.000 1.066 973 A CA -0.760 51.258 52.037 -0.032 0.000 0.676 973 A CB 1.045 20.027 19.000 -0.030 0.000 1.277 973 A HN 0.468 nan 8.150 nan 0.000 0.413 974 T N -1.734 112.808 114.554 -0.020 0.000 2.902 974 T HA 0.458 4.809 4.350 0.001 0.000 0.280 974 T C 1.150 175.874 174.700 0.039 0.000 0.992 974 T CA 0.703 62.810 62.100 0.011 0.000 1.015 974 T CB 0.628 69.498 68.868 0.005 0.000 1.044 974 T HN 0.902 nan 8.240 nan 0.000 0.520 975 H N 1.552 120.615 119.070 -0.012 0.000 2.291 975 H HA -0.266 4.291 4.556 0.001 0.000 0.275 975 H C 2.332 177.661 175.328 0.001 0.000 1.115 975 H CA 2.929 58.976 56.048 -0.001 0.000 1.200 975 H CB -0.903 28.864 29.762 0.007 0.000 1.444 975 H HN 0.834 nan 8.280 nan 0.000 0.576 976 G N -2.001 106.936 108.800 0.228 0.000 2.418 976 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 976 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 976 G C 1.727 176.648 174.900 0.036 0.000 1.158 976 G CA 1.260 46.448 45.100 0.147 0.000 0.771 976 G HN 0.511 nan 8.290 nan 0.000 0.545 977 T N 1.776 116.340 114.554 0.017 0.000 2.684 977 T HA -0.032 4.318 4.350 0.001 0.000 0.267 977 T C 2.825 177.509 174.700 -0.027 0.000 1.036 977 T CA 1.597 63.693 62.100 -0.007 0.000 1.148 977 T CB -0.431 68.427 68.868 -0.017 0.000 0.863 977 T HN 0.379 nan 8.240 nan 0.000 0.436 978 A N 1.733 124.520 122.820 -0.054 0.000 1.908 978 A HA -0.086 4.235 4.320 0.001 0.000 0.218 978 A C 2.272 179.801 177.584 -0.090 0.000 1.181 978 A CA 1.220 53.209 52.037 -0.081 0.000 0.627 978 A CB -0.757 18.166 19.000 -0.129 0.000 0.818 978 A HN 0.403 nan 8.150 nan 0.000 0.445 979 I N -0.072 120.426 120.570 -0.120 0.000 2.151 979 I HA -0.218 3.953 4.170 0.001 0.000 0.243 979 I C 2.528 178.625 176.117 -0.034 0.000 1.080 979 I CA 1.436 62.684 61.300 -0.086 0.000 1.339 979 I CB -1.302 36.663 38.000 -0.059 0.000 1.039 979 I HN 0.164 nan 8.210 nan 0.000 0.409 980 V N 0.891 120.795 119.914 -0.017 0.000 2.295 980 V HA -0.254 3.867 4.120 0.001 0.000 0.246 980 V C 2.607 178.700 176.094 -0.002 0.000 1.049 980 V CA 1.432 63.732 62.300 -0.001 0.000 1.024 980 V CB -0.519 31.308 31.823 0.008 0.000 0.648 980 V HN 0.321 nan 8.190 nan 0.000 0.447 981 L N 0.303 121.521 121.223 -0.008 0.000 2.046 981 L HA -0.115 4.226 4.340 0.001 0.000 0.208 981 L C 2.668 179.536 176.870 -0.004 0.000 1.077 981 L CA 1.802 56.640 54.840 -0.003 0.000 0.747 981 L CB -1.186 40.870 42.059 -0.006 0.000 0.896 981 L HN 0.486 nan 8.230 nan 0.000 0.432 982 G N -0.364 108.427 108.800 -0.015 0.000 2.446 982 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 982 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 982 G C 1.357 176.254 174.900 -0.005 0.000 1.168 982 G CA 0.652 45.744 45.100 -0.014 0.000 0.771 982 G HN 0.439 nan 8.290 nan 0.000 0.551 983 E N 0.398 120.596 120.200 -0.004 0.000 2.409 983 E HA 0.085 4.436 4.350 0.001 0.000 0.198 983 E C 2.437 179.041 176.600 0.007 0.000 1.024 983 E CA 0.468 56.870 56.400 0.002 0.000 0.861 983 E CB -0.009 29.694 29.700 0.005 0.000 0.788 983 E HN 0.471 nan 8.360 nan 0.000 0.521 984 A N -0.193 122.632 122.820 0.008 0.000 2.303 984 A HA 0.376 4.697 4.320 0.001 0.000 0.217 984 A C 1.674 179.266 177.584 0.013 0.000 1.205 984 A CA 0.669 52.714 52.037 0.013 0.000 0.875 984 A CB 0.355 19.366 19.000 0.017 0.000 0.910 984 A HN 0.292 nan 8.150 nan 0.000 0.501 985 G N -0.899 107.907 108.800 0.010 0.000 2.179 985 G HA2 -0.167 3.794 3.960 0.001 0.000 0.220 985 G HA3 -0.167 3.794 3.960 0.001 0.000 0.220 985 G C 0.058 174.966 174.900 0.012 0.000 0.990 985 G CA 0.043 45.150 45.100 0.011 0.000 0.646 985 G HN 0.391 nan 8.290 nan 0.000 0.517 986 I N 1.611 122.188 120.570 0.012 0.000 2.315 986 I HA 0.286 4.457 4.170 0.001 0.000 0.291 986 I C -0.031 176.091 176.117 0.008 0.000 1.006 986 I CA -0.402 60.907 61.300 0.015 0.000 1.265 986 I CB 1.196 39.207 38.000 0.018 0.000 1.387 986 I HN 0.092 nan 8.210 nan 0.000 0.475 987 N N 8.294 127.001 118.700 0.011 0.000 2.707 987 N HA 0.317 5.058 4.740 0.001 0.000 0.235 987 N C -2.369 173.149 175.510 0.013 0.000 1.028 987 N CA -1.310 51.743 53.050 0.006 0.000 0.906 987 N CB 1.024 39.514 38.487 0.005 0.000 1.131 987 N HN 0.405 nan 8.380 nan 0.000 0.509 988 P HA 0.103 nan 4.420 nan 0.000 0.276 988 P C -0.570 176.743 177.300 0.023 0.000 1.252 988 P CA -0.466 62.648 63.100 0.023 0.000 0.802 988 P CB 1.198 32.907 31.700 0.014 0.000 1.035 989 R N 1.165 121.690 120.500 0.042 0.000 2.316 989 R HA 0.220 4.561 4.340 0.001 0.000 0.314 989 R C -0.184 176.140 176.300 0.039 0.000 1.069 989 R CA -0.640 55.485 56.100 0.042 0.000 0.959 989 R CB -0.147 30.188 30.300 0.059 0.000 0.987 989 R HN 0.355 nan 8.270 nan 0.000 0.446 990 L N 5.408 126.644 121.223 0.021 0.000 2.453 990 L HA 0.205 4.546 4.340 0.001 0.000 0.272 990 L C -0.789 176.104 176.870 0.038 0.000 1.182 990 L CA 0.482 55.331 54.840 0.015 0.000 0.858 990 L CB 1.391 43.449 42.059 -0.002 0.000 1.120 990 L HN 0.464 nan 8.230 nan 0.000 0.474 991 V N 5.868 125.808 119.914 0.045 0.000 2.735 991 V HA 0.463 4.583 4.120 0.001 0.000 0.310 991 V C -0.213 175.909 176.094 0.046 0.000 1.061 991 V CA -0.806 61.533 62.300 0.064 0.000 0.913 991 V CB 2.218 34.108 31.823 0.111 0.000 1.005 991 V HN 0.944 nan 8.190 nan 0.000 0.428 992 N N 3.814 122.544 118.700 0.050 0.000 2.497 992 N HA 0.277 5.018 4.740 0.001 0.000 0.271 992 N C -0.672 174.836 175.510 -0.004 0.000 1.142 992 N CA -0.251 52.817 53.050 0.029 0.000 0.965 992 N CB 0.711 39.224 38.487 0.044 0.000 1.077 992 N HN 0.572 nan 8.380 nan 0.000 0.462 993 K N 1.428 121.748 120.400 -0.134 0.000 2.326 993 K HA 0.047 4.367 4.320 0.001 0.000 0.275 993 K C 1.048 177.456 176.600 -0.320 0.000 1.018 993 K CA -0.449 55.666 56.287 -0.286 0.000 0.962 993 K CB 0.883 33.054 32.500 -0.547 0.000 0.953 993 K HN 0.283 nan 8.250 nan 0.000 0.475 994 V N 2.767 122.516 119.914 -0.274 0.000 2.277 994 V HA -0.363 3.758 4.120 0.001 0.000 0.255 994 V C 2.000 178.073 176.094 -0.035 0.000 1.074 994 V CA 2.479 64.632 62.300 -0.246 0.000 1.058 994 V CB -1.217 30.360 31.823 -0.410 0.000 0.656 994 V HN 0.911 nan 8.190 nan 0.000 0.449 995 H N -0.303 118.770 119.070 0.004 0.000 2.389 995 H HA -0.098 4.459 4.556 0.001 0.000 0.299 995 H C 2.072 177.422 175.328 0.037 0.000 1.081 995 H CA 1.530 57.588 56.048 0.017 0.000 1.345 995 H CB -0.619 29.139 29.762 -0.007 0.000 1.393 995 H HN 0.462 nan 8.280 nan 0.000 0.520 996 E N 0.581 120.675 120.200 -0.176 0.000 2.097 996 E HA 0.018 4.369 4.350 0.001 0.000 0.196 996 E C 1.109 177.725 176.600 0.027 0.000 1.000 996 E CA 1.184 57.563 56.400 -0.036 0.000 0.804 996 E CB -0.004 29.628 29.700 -0.114 0.000 0.740 996 E HN 0.696 nan 8.360 nan 0.000 0.454 997 G N -0.893 107.935 108.800 0.047 0.000 2.366 997 G HA2 0.095 4.055 3.960 0.001 0.000 0.190 997 G HA3 0.095 4.055 3.960 0.001 0.000 0.190 997 G C -1.391 173.512 174.900 0.006 0.000 1.299 997 G CA -0.860 44.268 45.100 0.046 0.000 1.056 997 G HN 0.018 nan 8.290 nan 0.000 0.468 998 R N 0.305 120.765 120.500 -0.066 0.000 2.651 998 R HA 0.586 4.927 4.340 0.001 0.000 0.278 998 R C -2.793 173.440 176.300 -0.112 0.000 1.010 998 R CA -1.279 54.716 56.100 -0.175 0.000 0.896 998 R CB 2.227 32.395 30.300 -0.221 0.000 1.211 998 R HN 0.396 nan 8.270 nan 0.000 0.456 999 P HA 0.233 nan 4.420 nan 0.000 0.286 999 P C -1.015 176.224 177.300 -0.102 0.000 1.261 999 P CA -0.478 62.495 63.100 -0.211 0.000 0.821 999 P CB 0.694 32.289 31.700 -0.175 0.000 1.013 1000 H N -0.321 118.739 119.070 -0.017 0.000 2.615 1000 H HA 0.429 4.986 4.556 0.001 0.000 0.346 1000 H C 0.963 176.295 175.328 0.006 0.000 1.200 1000 H CA -0.982 55.055 56.048 -0.019 0.000 1.264 1000 H CB 1.128 30.863 29.762 -0.044 0.000 1.699 1000 H HN 0.121 nan 8.280 nan 0.000 0.567 1001 I N -0.078 120.634 120.570 0.236 0.000 2.103 1001 I HA -0.402 3.769 4.170 0.001 0.000 0.241 1001 I C 2.916 179.138 176.117 0.175 0.000 1.036 1001 I CA 1.801 63.203 61.300 0.171 0.000 1.300 1001 I CB -0.459 37.559 38.000 0.029 0.000 1.010 1001 I HN 0.716 nan 8.210 nan 0.000 0.406 1002 Q N 0.624 120.479 119.800 0.092 0.000 2.112 1002 Q HA -0.276 4.065 4.340 0.001 0.000 0.206 1002 Q C 1.789 177.854 176.000 0.108 0.000 0.987 1002 Q CA 2.173 58.007 55.803 0.053 0.000 0.858 1002 Q CB -0.249 28.435 28.738 -0.091 0.000 0.905 1002 Q HN 0.521 nan 8.270 nan 0.000 0.420 1003 D N -0.137 120.439 120.400 0.294 0.000 2.087 1003 D HA -0.164 4.477 4.640 0.001 0.000 0.192 1003 D C 2.115 178.395 176.300 -0.033 0.000 0.993 1003 D CA 1.126 55.176 54.000 0.082 0.000 0.828 1003 D CB -0.180 40.591 40.800 -0.047 0.000 0.968 1003 D HN 0.268 nan 8.370 nan 0.000 0.448 1004 R N 0.311 120.810 120.500 -0.001 0.000 2.083 1004 R HA -0.095 4.246 4.340 0.001 0.000 0.237 1004 R C 2.652 178.845 176.300 -0.179 0.000 1.137 1004 R CA 0.803 56.826 56.100 -0.129 0.000 0.951 1004 R CB -0.484 29.763 30.300 -0.088 0.000 0.851 1004 R HN 0.289 nan 8.270 nan 0.000 0.434 1005 I N 1.003 121.590 120.570 0.028 0.000 2.163 1005 I HA -0.311 3.860 4.170 0.001 0.000 0.243 1005 I C 2.648 178.592 176.117 -0.288 0.000 1.085 1005 I CA 1.397 62.719 61.300 0.037 0.000 1.347 1005 I CB -0.327 37.733 38.000 0.100 0.000 1.044 1005 I HN 0.172 nan 8.210 nan 0.000 0.408 1006 K N 1.595 121.752 120.400 -0.405 0.000 2.097 1006 K HA -0.183 4.138 4.320 0.001 0.000 0.206 1006 K C 1.399 177.692 176.600 -0.512 0.000 1.049 1006 K CA 1.957 57.756 56.287 -0.813 0.000 0.933 1006 K CB -0.141 32.061 32.500 -0.498 0.000 0.717 1006 K HN 0.332 nan 8.250 nan 0.000 0.442 1007 N N -0.708 117.820 118.700 -0.286 0.000 2.461 1007 N HA 0.083 4.824 4.740 0.001 0.000 0.188 1007 N C 0.371 175.783 175.510 -0.163 0.000 1.134 1007 N CA 0.615 53.547 53.050 -0.196 0.000 0.878 1007 N CB 0.796 39.194 38.487 -0.148 0.000 0.972 1007 N HN 0.449 nan 8.380 nan 0.000 0.456 1008 G N 0.600 109.298 108.800 -0.169 0.000 2.141 1008 G HA2 -0.272 3.689 3.960 0.001 0.000 0.242 1008 G HA3 -0.272 3.689 3.960 0.001 0.000 0.242 1008 G C 0.757 175.577 174.900 -0.133 0.000 0.982 1008 G CA 0.041 45.087 45.100 -0.090 0.000 0.662 1008 G HN 0.355 nan 8.290 nan 0.000 0.527 1009 E N -1.079 118.943 120.200 -0.297 0.000 2.268 1009 E HA -0.006 4.345 4.350 0.001 0.000 0.195 1009 E C 0.261 176.597 176.600 -0.440 0.000 0.995 1009 E CA 0.895 57.023 56.400 -0.453 0.000 0.836 1009 E CB 0.093 29.317 29.700 -0.793 0.000 0.763 1009 E HN 0.686 nan 8.360 nan 0.000 0.491 1010 Y N -0.173 120.158 120.300 0.053 0.000 2.446 1010 Y HA 0.177 4.727 4.550 0.001 0.000 0.338 1010 Y C 1.402 177.379 175.900 0.128 0.000 1.055 1010 Y CA -0.709 57.448 58.100 0.095 0.000 1.101 1010 Y CB 1.655 40.160 38.460 0.075 0.000 1.221 1010 Y HN -0.182 nan 8.280 nan 0.000 0.460 1011 T N -2.571 112.215 114.554 0.386 0.000 3.040 1011 T HA 0.259 4.609 4.350 0.001 0.000 0.266 1011 T C -0.734 174.231 174.700 0.442 0.000 1.005 1011 T CA -0.043 62.249 62.100 0.320 0.000 0.906 1011 T CB -0.174 68.806 68.868 0.187 0.000 1.082 1011 T HN 0.510 nan 8.240 nan 0.000 0.531 1012 Y N 0.074 120.523 120.300 0.248 0.000 2.558 1012 Y HA 0.649 5.200 4.550 0.001 0.000 0.333 1012 Y C -2.469 173.454 175.900 0.038 0.000 1.125 1012 Y CA -2.430 55.755 58.100 0.142 0.000 1.039 1012 Y CB 1.386 39.842 38.460 -0.007 0.000 1.331 1012 Y HN 0.152 nan 8.280 nan 0.000 0.456 1013 I N 6.585 126.705 120.570 -0.750 0.000 2.569 1013 I HA 0.461 4.632 4.170 0.001 0.000 0.290 1013 I C -1.517 174.053 176.117 -0.913 0.000 1.088 1013 I CA -0.934 59.958 61.300 -0.680 0.000 1.047 1013 I CB 2.220 40.024 38.000 -0.327 0.000 1.237 1013 I HN 0.582 nan 8.210 nan 0.000 0.421 1014 I N 7.191 127.360 120.570 -0.669 0.000 2.418 1014 I HA 0.443 4.614 4.170 0.001 0.000 0.287 1014 I C -1.124 174.849 176.117 -0.239 0.000 1.008 1014 I CA 0.171 61.205 61.300 -0.443 0.000 1.104 1014 I CB 1.165 38.986 38.000 -0.299 0.000 1.264 1014 I HN 0.602 nan 8.210 nan 0.000 0.438 1015 N N 5.321 123.933 118.700 -0.146 0.000 2.480 1015 N HA 0.443 5.184 4.740 0.001 0.000 0.289 1015 N C -1.443 174.042 175.510 -0.042 0.000 1.073 1015 N CA -0.314 52.678 53.050 -0.097 0.000 0.885 1015 N CB 1.484 39.904 38.487 -0.112 0.000 1.421 1015 N HN 0.697 nan 8.380 nan 0.000 0.503 1016 T N 0.206 114.741 114.554 -0.032 0.000 2.887 1016 T HA 0.670 5.021 4.350 0.001 0.000 0.288 1016 T C -0.615 174.078 174.700 -0.011 0.000 1.021 1016 T CA -0.411 61.687 62.100 -0.003 0.000 1.000 1016 T CB 1.915 70.794 68.868 0.017 0.000 1.034 1016 T HN 0.277 nan 8.240 nan 0.000 0.467 1017 T N 1.541 116.093 114.554 -0.004 0.000 3.105 1017 T HA 0.574 4.925 4.350 0.001 0.000 0.321 1017 T C -0.951 173.736 174.700 -0.023 0.000 1.135 1017 T CA -0.742 61.345 62.100 -0.023 0.000 1.053 1017 T CB 1.825 70.674 68.868 -0.031 0.000 1.133 1017 T HN 0.681 nan 8.240 nan 0.000 0.463 1018 S N 1.377 117.034 115.700 -0.071 0.000 2.519 1018 S HA 0.805 5.276 4.470 0.001 0.000 0.309 1018 S C 0.028 174.444 174.600 -0.306 0.000 1.100 1018 S CA 0.219 58.332 58.200 -0.146 0.000 1.059 1018 S CB 0.930 64.032 63.200 -0.163 0.000 1.008 1018 S HN 1.506 nan 8.310 nan 0.000 0.478 1019 G N 3.383 111.984 108.800 -0.332 0.000 3.444 1019 G HA2 -0.108 3.852 3.960 0.001 0.000 0.685 1019 G HA3 -0.108 3.852 3.960 0.001 0.000 0.685 1019 G C 0.101 174.937 174.900 -0.106 0.000 1.145 1019 G CA -0.094 44.821 45.100 -0.308 0.000 0.973 1019 G HN 0.747 nan 8.290 nan 0.000 0.525 1020 R N 1.481 121.966 120.500 -0.026 0.000 2.190 1020 R HA -0.208 4.133 4.340 0.001 0.000 0.255 1020 R C 2.480 178.767 176.300 -0.022 0.000 1.143 1020 R CA 2.809 58.909 56.100 0.000 0.000 0.965 1020 R CB -0.225 30.096 30.300 0.035 0.000 0.889 1020 R HN 0.631 nan 8.270 nan 0.000 0.448 1021 R N -0.836 119.643 120.500 -0.035 0.000 2.073 1021 R HA 0.003 4.344 4.340 0.001 0.000 0.229 1021 R C 2.099 178.369 176.300 -0.050 0.000 1.120 1021 R CA 1.219 57.296 56.100 -0.039 0.000 0.967 1021 R CB -0.277 30.000 30.300 -0.038 0.000 0.862 1021 R HN 0.387 nan 8.270 nan 0.000 0.436 1022 A N 1.060 123.839 122.820 -0.068 0.000 1.972 1022 A HA -0.129 4.192 4.320 0.001 0.000 0.219 1022 A C 2.086 179.640 177.584 -0.051 0.000 1.169 1022 A CA 1.052 53.050 52.037 -0.065 0.000 0.635 1022 A CB -0.382 18.565 19.000 -0.088 0.000 0.810 1022 A HN 0.277 nan 8.150 nan 0.000 0.446 1023 I N -0.409 120.131 120.570 -0.050 0.000 2.133 1023 I HA -0.265 3.906 4.170 0.001 0.000 0.238 1023 I C 2.475 178.569 176.117 -0.037 0.000 1.074 1023 I CA 1.746 63.022 61.300 -0.040 0.000 1.342 1023 I CB -0.594 37.388 38.000 -0.029 0.000 1.053 1023 I HN 0.435 nan 8.210 nan 0.000 0.404 1024 E N 0.870 121.052 120.200 -0.031 0.000 2.147 1024 E HA -0.291 4.060 4.350 0.001 0.000 0.199 1024 E C 1.601 178.182 176.600 -0.030 0.000 1.005 1024 E CA 1.960 58.343 56.400 -0.028 0.000 0.810 1024 E CB -0.275 29.411 29.700 -0.023 0.000 0.736 1024 E HN 0.577 nan 8.360 nan 0.000 0.460 1025 D N 0.194 120.576 120.400 -0.030 0.000 2.084 1025 D HA -0.111 4.530 4.640 0.001 0.000 0.196 1025 D C 1.962 178.249 176.300 -0.021 0.000 0.985 1025 D CA 1.704 55.691 54.000 -0.020 0.000 0.826 1025 D CB -0.031 40.760 40.800 -0.016 0.000 0.978 1025 D HN 0.099 nan 8.370 nan 0.000 0.456 1026 S N 0.407 116.087 115.700 -0.033 0.000 2.555 1026 S HA -0.084 4.387 4.470 0.001 0.000 0.230 1026 S C 1.708 176.264 174.600 -0.072 0.000 0.978 1026 S CA 0.022 58.192 58.200 -0.050 0.000 0.934 1026 S CB -0.163 63.005 63.200 -0.053 0.000 0.766 1026 S HN 0.183 nan 8.310 nan 0.000 0.533 1027 R N 1.482 121.943 120.500 -0.065 0.000 2.140 1027 R HA -0.167 4.174 4.340 0.001 0.000 0.250 1027 R C 2.164 178.406 176.300 -0.097 0.000 1.150 1027 R CA 1.917 57.969 56.100 -0.079 0.000 0.966 1027 R CB -0.888 29.378 30.300 -0.058 0.000 0.869 1027 R HN 0.432 nan 8.270 nan 0.000 0.445 1028 V N 1.002 120.866 119.914 -0.083 0.000 2.469 1028 V HA -0.206 3.915 4.120 0.001 0.000 0.251 1028 V C 2.109 178.140 176.094 -0.105 0.000 1.064 1028 V CA 1.907 64.155 62.300 -0.086 0.000 1.066 1028 V CB -0.218 31.554 31.823 -0.085 0.000 0.667 1028 V HN 0.369 nan 8.190 nan 0.000 0.461 1029 I N -0.152 120.343 120.570 -0.125 0.000 2.202 1029 I HA -0.197 3.974 4.170 0.001 0.000 0.242 1029 I C 2.836 178.811 176.117 -0.236 0.000 1.091 1029 I CA 1.934 63.143 61.300 -0.151 0.000 1.368 1029 I CB -0.536 37.370 38.000 -0.157 0.000 1.058 1029 I HN 0.216 nan 8.210 nan 0.000 0.410 1030 R N 0.621 120.954 120.500 -0.277 0.000 2.075 1030 R HA -0.081 4.260 4.340 0.001 0.000 0.232 1030 R C 2.500 178.545 176.300 -0.425 0.000 1.126 1030 R CA 1.155 56.978 56.100 -0.461 0.000 0.963 1030 R CB -0.285 29.812 30.300 -0.337 0.000 0.858 1030 R HN 0.363 nan 8.270 nan 0.000 0.435 1031 R N 0.234 120.592 120.500 -0.236 0.000 2.075 1031 R HA -0.046 4.295 4.340 0.001 0.000 0.232 1031 R C 2.395 178.625 176.300 -0.117 0.000 1.126 1031 R CA 1.746 57.751 56.100 -0.158 0.000 0.963 1031 R CB -0.264 29.981 30.300 -0.091 0.000 0.858 1031 R HN 0.192 nan 8.270 nan 0.000 0.435 1032 S N 1.484 117.148 115.700 -0.059 0.000 2.368 1032 S HA -0.110 4.360 4.470 0.001 0.000 0.224 1032 S C 2.278 176.953 174.600 0.125 0.000 1.029 1032 S CA 1.027 59.300 58.200 0.121 0.000 0.988 1032 S CB -0.337 62.973 63.200 0.183 0.000 0.838 1032 S HN 0.431 nan 8.310 nan 0.000 0.462 1033 A N 1.823 124.585 122.820 -0.098 0.000 1.903 1033 A HA -0.134 4.186 4.320 0.001 0.000 0.219 1033 A C 2.198 179.751 177.584 -0.052 0.000 1.191 1033 A CA 1.804 53.760 52.037 -0.135 0.000 0.638 1033 A CB -0.853 17.815 19.000 -0.553 0.000 0.823 1033 A HN 0.414 nan 8.150 nan 0.000 0.451 1034 L N -0.547 120.578 121.223 -0.164 0.000 2.027 1034 L HA -0.148 4.193 4.340 0.001 0.000 0.206 1034 L C 2.606 179.459 176.870 -0.028 0.000 1.074 1034 L CA 2.569 57.411 54.840 0.002 0.000 0.745 1034 L CB -0.664 41.403 42.059 0.013 0.000 0.898 1034 L HN 0.614 nan 8.230 nan 0.000 0.433 1035 Q N -1.485 118.233 119.800 -0.137 0.000 2.135 1035 Q HA -0.249 4.092 4.340 0.001 0.000 0.204 1035 Q C 1.603 177.318 176.000 -0.475 0.000 0.981 1035 Q CA 2.077 57.671 55.803 -0.348 0.000 0.856 1035 Q CB -0.258 28.138 28.738 -0.571 0.000 0.902 1035 Q HN 0.675 nan 8.270 nan 0.000 0.425 1036 Y N 0.456 120.770 120.300 0.023 0.000 2.490 1036 Y HA 0.113 4.664 4.550 0.002 0.000 0.281 1036 Y C 0.002 175.943 175.900 0.069 0.000 1.174 1036 Y CA 0.038 58.164 58.100 0.043 0.000 1.295 1036 Y CB 0.687 39.172 38.460 0.041 0.000 1.062 1036 Y HN -0.016 nan 8.280 nan 0.000 0.522 1037 K N -1.154 119.339 120.400 0.156 0.000 3.167 1037 K HA -0.144 4.176 4.320 0.001 0.000 0.272 1037 K C -0.792 175.937 176.600 0.214 0.000 1.137 1037 K CA 0.328 56.715 56.287 0.166 0.000 0.800 1037 K CB -2.625 29.955 32.500 0.133 0.000 1.253 1037 K HN 0.138 nan 8.250 nan 0.000 0.497 1038 V N 1.271 121.330 119.914 0.242 0.000 2.439 1038 V HA 0.163 4.283 4.120 0.001 0.000 0.282 1038 V C 0.813 177.104 176.094 0.328 0.000 1.039 1038 V CA -0.773 61.687 62.300 0.266 0.000 0.913 1038 V CB 1.327 33.294 31.823 0.240 0.000 0.983 1038 V HN 0.397 nan 8.190 nan 0.000 0.460 1039 H N 4.756 123.982 119.070 0.261 0.000 2.848 1039 H HA 0.373 4.930 4.556 0.001 0.000 0.341 1039 H C -0.717 174.785 175.328 0.290 0.000 1.060 1039 H CA 0.144 56.350 56.048 0.265 0.000 1.444 1039 H CB 0.363 30.273 29.762 0.246 0.000 1.446 1039 H HN 0.677 nan 8.280 nan 0.000 0.583 1040 Y N 1.551 121.443 120.300 -0.681 0.000 2.492 1040 Y HA 0.452 5.003 4.550 0.002 0.000 0.346 1040 Y C -1.595 173.997 175.900 -0.513 0.000 0.997 1040 Y CA -1.331 56.461 58.100 -0.513 0.000 1.025 1040 Y CB 1.444 39.722 38.460 -0.303 0.000 1.263 1040 Y HN 0.456 nan 8.280 nan 0.000 0.454 1041 D N 1.782 122.009 120.400 -0.288 0.000 2.362 1041 D HA 0.261 4.902 4.640 0.001 0.000 0.247 1041 D C 0.272 176.552 176.300 -0.033 0.000 1.050 1041 D CA -0.340 53.599 54.000 -0.102 0.000 0.839 1041 D CB 2.212 43.092 40.800 0.135 0.000 1.283 1041 D HN 0.813 nan 8.370 nan 0.000 0.477 1042 T N -2.594 111.964 114.554 0.007 0.000 3.092 1042 T HA 0.175 4.526 4.350 0.001 0.000 0.258 1042 T C 0.608 175.342 174.700 0.056 0.000 1.031 1042 T CA -0.199 61.932 62.100 0.051 0.000 0.925 1042 T CB -0.084 68.833 68.868 0.082 0.000 1.036 1042 T HN 0.401 nan 8.240 nan 0.000 0.544 1043 T N -1.024 113.571 114.554 0.068 0.000 2.909 1043 T HA 0.617 4.968 4.350 0.001 0.000 0.299 1043 T C 0.584 175.342 174.700 0.097 0.000 1.073 1043 T CA -0.882 61.273 62.100 0.093 0.000 0.999 1043 T CB 1.769 70.710 68.868 0.121 0.000 1.098 1043 T HN -0.103 nan 8.240 nan 0.000 0.477 1044 L N 2.088 123.380 121.223 0.115 0.000 2.046 1044 L HA 0.034 4.375 4.340 0.001 0.000 0.208 1044 L C 2.271 179.301 176.870 0.267 0.000 1.077 1044 L CA 1.752 56.680 54.840 0.147 0.000 0.747 1044 L CB -1.035 41.147 42.059 0.205 0.000 0.896 1044 L HN 0.720 nan 8.230 nan 0.000 0.432 1045 N N -0.249 118.606 118.700 0.259 0.000 2.104 1045 N HA -0.152 4.589 4.740 0.001 0.000 0.190 1045 N C 1.801 177.441 175.510 0.216 0.000 1.024 1045 N CA 1.441 54.653 53.050 0.271 0.000 0.853 1045 N CB -0.868 37.737 38.487 0.196 0.000 1.008 1045 N HN 0.460 nan 8.380 nan 0.000 0.424 1046 G N -0.059 108.841 108.800 0.166 0.000 2.446 1046 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 1046 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 1046 G C 1.612 176.580 174.900 0.115 0.000 1.168 1046 G CA 1.163 46.350 45.100 0.145 0.000 0.771 1046 G HN 0.449 nan 8.290 nan 0.000 0.551 1047 G N 0.068 108.928 108.800 0.100 0.000 2.432 1047 G HA2 -0.114 3.847 3.960 0.001 0.000 0.219 1047 G HA3 -0.114 3.847 3.960 0.001 0.000 0.219 1047 G C 1.597 176.417 174.900 -0.134 0.000 1.135 1047 G CA 0.647 45.775 45.100 0.047 0.000 0.767 1047 G HN 0.349 nan 8.290 nan 0.000 0.550 1048 F N 1.591 121.538 119.950 -0.006 0.000 2.186 1048 F HA 0.119 4.647 4.527 0.001 0.000 0.299 1048 F C 2.966 178.695 175.800 -0.119 0.000 1.090 1048 F CA 0.856 58.826 58.000 -0.049 0.000 1.307 1048 F CB -0.248 38.733 39.000 -0.031 0.000 1.019 1048 F HN 0.231 nan 8.300 nan 0.000 0.489 1049 A N -0.708 122.085 122.820 -0.044 0.000 1.898 1049 A HA -0.162 4.159 4.320 0.001 0.000 0.216 1049 A C 2.247 179.576 177.584 -0.425 0.000 1.181 1049 A CA 2.207 53.986 52.037 -0.430 0.000 0.620 1049 A CB -1.274 17.127 19.000 -0.998 0.000 0.819 1049 A HN 0.316 nan 8.150 nan 0.000 0.442 1050 T N 0.199 114.642 114.554 -0.186 0.000 2.746 1050 T HA -0.025 4.326 4.350 0.001 0.000 0.267 1050 T C 2.220 176.828 174.700 -0.154 0.000 1.039 1050 T CA 1.545 63.606 62.100 -0.065 0.000 1.142 1050 T CB -0.444 68.371 68.868 -0.088 0.000 0.866 1050 T HN 0.601 nan 8.240 nan 0.000 0.444 1051 A N 2.027 124.739 122.820 -0.179 0.000 1.851 1051 A HA -0.147 4.174 4.320 0.001 0.000 0.216 1051 A C 2.346 179.902 177.584 -0.047 0.000 1.195 1051 A CA 1.935 53.884 52.037 -0.147 0.000 0.622 1051 A CB -0.804 18.132 19.000 -0.106 0.000 0.831 1051 A HN 0.491 nan 8.150 nan 0.000 0.444 1052 M N -0.387 119.213 119.600 0.001 0.000 2.108 1052 M HA -0.246 4.235 4.480 0.001 0.000 0.257 1052 M C 2.411 178.728 176.300 0.029 0.000 1.071 1052 M CA 1.762 57.087 55.300 0.041 0.000 1.093 1052 M CB -0.732 31.931 32.600 0.105 0.000 1.345 1052 M HN 0.487 nan 8.290 nan 0.000 0.403 1053 A N 0.477 123.310 122.820 0.022 0.000 2.070 1053 A HA -0.051 4.270 4.320 0.001 0.000 0.220 1053 A C 2.123 179.709 177.584 0.003 0.000 1.159 1053 A CA 1.046 53.108 52.037 0.041 0.000 0.656 1053 A CB -0.869 18.227 19.000 0.159 0.000 0.800 1053 A HN 0.488 nan 8.150 nan 0.000 0.453 1054 L N -0.654 120.563 121.223 -0.010 0.000 2.191 1054 L HA -0.196 4.145 4.340 0.001 0.000 0.212 1054 L C 1.631 178.512 176.870 0.019 0.000 1.103 1054 L CA 1.371 56.215 54.840 0.007 0.000 0.769 1054 L CB -0.546 41.529 42.059 0.027 0.000 0.908 1054 L HN 0.490 nan 8.230 nan 0.000 0.438 1055 N N -0.395 118.317 118.700 0.019 0.000 2.521 1055 N HA 0.127 4.868 4.740 0.001 0.000 0.188 1055 N C 0.247 175.763 175.510 0.011 0.000 1.146 1055 N CA -0.007 53.056 53.050 0.021 0.000 0.893 1055 N CB 0.253 38.758 38.487 0.030 0.000 0.975 1055 N HN 0.261 nan 8.380 nan 0.000 0.451 1056 A N 0.251 123.070 122.820 -0.002 0.000 2.437 1056 A HA 0.508 4.829 4.320 0.001 0.000 0.292 1056 A C -1.415 176.148 177.584 -0.034 0.000 1.173 1056 A CA -0.571 51.457 52.037 -0.015 0.000 0.785 1056 A CB 1.413 20.401 19.000 -0.020 0.000 1.351 1056 A HN 0.050 nan 8.150 nan 0.000 0.431 1057 D N -0.219 120.155 120.400 -0.044 0.000 2.375 1057 D HA 0.524 5.165 4.640 0.001 0.000 0.259 1057 D C 0.770 177.019 176.300 -0.085 0.000 1.235 1057 D CA 0.264 54.223 54.000 -0.067 0.000 0.924 1057 D CB 1.070 41.834 40.800 -0.059 0.000 1.143 1057 D HN 0.576 nan 8.370 nan 0.000 0.529 1058 A N 2.407 125.160 122.820 -0.111 0.000 2.139 1058 A HA -0.146 4.175 4.320 0.001 0.000 0.221 1058 A C 1.788 179.289 177.584 -0.139 0.000 1.159 1058 A CA 2.067 54.029 52.037 -0.126 0.000 0.662 1058 A CB -0.559 18.348 19.000 -0.156 0.000 0.796 1058 A HN 0.586 nan 8.150 nan 0.000 0.463 1059 T N -3.739 110.721 114.554 -0.157 0.000 3.069 1059 T HA 0.168 4.519 4.350 0.001 0.000 0.252 1059 T C 1.393 176.024 174.700 -0.115 0.000 1.053 1059 T CA 0.636 62.636 62.100 -0.166 0.000 0.964 1059 T CB 0.188 68.917 68.868 -0.232 0.000 1.005 1059 T HN 0.586 nan 8.240 nan 0.000 0.532 1060 E N 1.728 121.876 120.200 -0.087 0.000 2.031 1060 E HA -0.068 4.283 4.350 0.001 0.000 0.193 1060 E C 0.723 177.297 176.600 -0.044 0.000 0.994 1060 E CA 0.762 57.128 56.400 -0.058 0.000 0.800 1060 E CB 0.200 29.876 29.700 -0.041 0.000 0.752 1060 E HN 0.522 nan 8.360 nan 0.000 0.447 1061 K N 0.140 120.516 120.400 -0.039 0.000 2.498 1061 K HA 0.326 4.647 4.320 0.001 0.000 0.254 1061 K C -1.123 175.469 176.600 -0.013 0.000 0.933 1061 K CA -0.668 55.606 56.287 -0.021 0.000 0.806 1061 K CB 2.248 34.742 32.500 -0.009 0.000 1.301 1061 K HN 0.031 nan 8.250 nan 0.000 0.432 1062 V N 1.291 121.214 119.914 0.015 0.000 2.960 1062 V HA 0.756 4.876 4.120 0.001 0.000 0.315 1062 V C -0.629 175.528 176.094 0.105 0.000 1.087 1062 V CA -0.894 61.452 62.300 0.077 0.000 0.982 1062 V CB 1.748 33.635 31.823 0.105 0.000 1.039 1062 V HN 0.871 nan 8.190 nan 0.000 0.437 1063 I N 2.305 122.919 120.570 0.073 0.000 2.752 1063 I HA 0.596 4.767 4.170 0.001 0.000 0.295 1063 I C 0.047 175.927 176.117 -0.394 0.000 1.219 1063 I CA -0.183 61.062 61.300 -0.091 0.000 1.030 1063 I CB 2.588 40.505 38.000 -0.138 0.000 1.259 1063 I HN 1.136 nan 8.210 nan 0.000 0.423 1064 S N 4.808 120.143 115.700 -0.610 0.000 2.652 1064 S HA 0.308 4.779 4.470 0.001 0.000 0.270 1064 S C 0.872 175.150 174.600 -0.536 0.000 1.243 1064 S CA -0.610 57.045 58.200 -0.908 0.000 0.999 1064 S CB 1.824 64.568 63.200 -0.760 0.000 0.973 1064 S HN 0.469 nan 8.310 nan 0.000 0.544 1065 V N 2.013 121.621 119.914 -0.510 0.000 2.515 1065 V HA -0.140 3.980 4.120 0.001 0.000 0.250 1065 V C 2.645 178.385 176.094 -0.591 0.000 1.058 1065 V CA 1.884 63.860 62.300 -0.540 0.000 1.064 1065 V CB -1.332 30.190 31.823 -0.501 0.000 0.675 1065 V HN 0.823 nan 8.190 nan 0.000 0.461 1066 Q N 0.341 119.912 119.800 -0.381 0.000 2.050 1066 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 1066 Q C 2.216 178.128 176.000 -0.147 0.000 0.980 1066 Q CA 1.976 57.645 55.803 -0.223 0.000 0.840 1066 Q CB -0.332 28.316 28.738 -0.150 0.000 0.898 1066 Q HN 0.686 nan 8.270 nan 0.000 0.424 1067 E N -0.154 119.939 120.200 -0.178 0.000 2.077 1067 E HA -0.170 4.180 4.350 0.001 0.000 0.193 1067 E C 1.987 178.540 176.600 -0.078 0.000 0.989 1067 E CA 1.190 57.522 56.400 -0.112 0.000 0.800 1067 E CB -0.142 29.478 29.700 -0.133 0.000 0.746 1067 E HN 0.352 nan 8.360 nan 0.000 0.452 1068 M N -0.148 119.349 119.600 -0.170 0.000 2.080 1068 M HA -0.190 4.291 4.480 0.001 0.000 0.260 1068 M C 2.064 178.518 176.300 0.256 0.000 1.068 1068 M CA 1.668 56.901 55.300 -0.112 0.000 1.109 1068 M CB -0.428 31.959 32.600 -0.355 0.000 1.342 1068 M HN 0.247 nan 8.290 nan 0.000 0.405 1069 H N -0.719 118.367 119.070 0.027 0.000 2.387 1069 H HA -0.068 4.488 4.556 0.001 0.000 0.299 1069 H C 2.165 177.521 175.328 0.046 0.000 1.090 1069 H CA 0.781 56.864 56.048 0.058 0.000 1.332 1069 H CB -0.085 29.688 29.762 0.019 0.000 1.386 1069 H HN 0.471 nan 8.280 nan 0.000 0.516 1070 A N 1.204 124.111 122.820 0.145 0.000 2.024 1070 A HA -0.204 4.117 4.320 0.001 0.000 0.220 1070 A C 2.099 179.731 177.584 0.080 0.000 1.164 1070 A CA 1.355 53.441 52.037 0.082 0.000 0.643 1070 A CB -0.326 18.698 19.000 0.039 0.000 0.806 1070 A HN 0.501 nan 8.150 nan 0.000 0.451 1071 Q N -0.776 119.094 119.800 0.118 0.000 2.436 1071 Q HA 0.131 4.472 4.340 0.001 0.000 0.209 1071 Q C -0.283 175.764 176.000 0.078 0.000 0.965 1071 Q CA 0.086 55.956 55.803 0.111 0.000 0.910 1071 Q CB -0.088 28.754 28.738 0.174 0.000 0.980 1071 Q HN 0.669 nan 8.270 nan 0.000 0.491 1072 I N 2.170 122.786 120.570 0.078 0.000 2.396 1072 I HA 0.004 4.175 4.170 0.001 0.000 0.289 1072 I C 0.298 176.412 176.117 -0.004 0.000 1.056 1072 I CA -0.363 60.941 61.300 0.008 0.000 1.365 1072 I CB 0.535 38.523 38.000 -0.019 0.000 1.407 1072 I HN -0.144 nan 8.210 nan 0.000 0.509 1073 K N 0.000 120.387 120.400 -0.022 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 1073 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543