REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1bxr_1_G DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPSYVL GGRAMEIVYD EADLRRYFQT AVSVSNDAPV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.257 176.300 -0.072 0.000 1.140 1 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.039 0.000 1.302 2 P HA 0.364 nan 4.420 nan 0.000 0.346 2 P C -1.527 175.542 177.300 -0.385 0.000 1.306 2 P CA -0.500 62.468 63.100 -0.219 0.000 0.778 2 P CB -0.029 31.579 31.700 -0.153 0.000 1.710 3 K N 0.653 120.643 120.400 -0.683 0.000 2.491 3 K HA 0.006 4.230 4.320 -0.161 0.000 0.279 3 K C 0.149 176.654 176.600 -0.158 0.000 1.026 3 K CA 0.094 56.023 56.287 -0.597 0.000 1.070 3 K CB 0.175 32.407 32.500 -0.448 0.000 0.887 3 K HN 0.128 nan 8.250 nan 0.000 0.481 4 R N 2.203 122.684 120.500 -0.032 0.000 2.638 4 R HA -0.086 4.157 4.340 -0.161 0.000 0.268 4 R C 0.941 177.279 176.300 0.063 0.000 1.006 4 R CA 0.640 56.761 56.100 0.034 0.000 1.088 4 R CB 0.515 30.859 30.300 0.073 0.000 0.950 4 R HN 0.883 nan 8.270 nan 0.000 0.419 5 T N 0.261 114.833 114.554 0.030 0.000 3.021 5 T HA -0.074 4.180 4.350 -0.161 0.000 0.245 5 T C 0.863 175.586 174.700 0.038 0.000 1.028 5 T CA 0.846 62.957 62.100 0.019 0.000 1.139 5 T CB 0.027 68.894 68.868 -0.001 0.000 0.884 5 T HN 0.754 nan 8.240 nan 0.000 0.457 6 D N 0.870 121.295 120.400 0.042 0.000 2.379 6 D HA 0.012 4.555 4.640 -0.161 0.000 0.243 6 D C 0.276 176.617 176.300 0.069 0.000 1.088 6 D CA 0.292 54.319 54.000 0.045 0.000 0.925 6 D CB -0.393 40.428 40.800 0.034 0.000 0.888 6 D HN 0.441 nan 8.370 nan 0.000 0.529 7 I N -0.024 120.612 120.570 0.109 0.000 2.500 7 I HA 0.157 4.231 4.170 -0.161 0.000 0.286 7 I C 0.682 176.938 176.117 0.231 0.000 1.063 7 I CA -0.663 60.733 61.300 0.161 0.000 1.062 7 I CB 2.414 40.520 38.000 0.177 0.000 1.223 7 I HN -0.248 nan 8.210 nan 0.000 0.435 8 K N 3.836 124.338 120.400 0.170 0.000 2.344 8 K HA 0.205 4.428 4.320 -0.161 0.000 0.200 8 K C 0.445 177.175 176.600 0.217 0.000 1.132 8 K CA 0.409 56.784 56.287 0.147 0.000 0.935 8 K CB 0.536 33.066 32.500 0.050 0.000 1.089 8 K HN 0.570 nan 8.250 nan 0.000 0.496 9 S N 0.636 116.429 115.700 0.156 0.000 2.451 9 S HA 0.634 5.007 4.470 -0.161 0.000 0.301 9 S C -0.378 174.286 174.600 0.108 0.000 1.116 9 S CA -0.867 57.410 58.200 0.129 0.000 1.093 9 S CB 0.996 64.248 63.200 0.086 0.000 1.017 9 S HN 0.148 nan 8.310 nan 0.000 0.482 10 I N 2.844 123.468 120.570 0.090 0.000 2.545 10 I HA 0.449 4.522 4.170 -0.161 0.000 0.292 10 I C -0.900 175.236 176.117 0.031 0.000 1.040 10 I CA -0.748 60.575 61.300 0.039 0.000 1.068 10 I CB 2.007 39.998 38.000 -0.015 0.000 1.251 10 I HN 0.662 nan 8.210 nan 0.000 0.424 11 L N 7.458 128.691 121.223 0.016 0.000 2.282 11 L HA 0.612 4.855 4.340 -0.161 0.000 0.288 11 L C -0.905 175.967 176.870 0.003 0.000 1.033 11 L CA 0.098 54.944 54.840 0.010 0.000 0.807 11 L CB 0.646 42.701 42.059 -0.007 0.000 1.209 11 L HN 0.430 nan 8.230 nan 0.000 0.423 12 I N 6.482 127.058 120.570 0.010 0.000 2.355 12 I HA 0.268 4.341 4.170 -0.161 0.000 0.288 12 I C -0.621 175.500 176.117 0.006 0.000 0.999 12 I CA -0.589 60.715 61.300 0.006 0.000 1.163 12 I CB 1.288 39.294 38.000 0.011 0.000 1.316 12 I HN 0.469 nan 8.210 nan 0.000 0.454 13 L N 6.439 127.659 121.223 -0.005 0.000 2.369 13 L HA 0.368 4.611 4.340 -0.161 0.000 0.279 13 L C 1.082 177.943 176.870 -0.015 0.000 1.108 13 L CA -0.244 54.587 54.840 -0.014 0.000 0.852 13 L CB 0.275 42.319 42.059 -0.025 0.000 1.169 13 L HN 0.647 nan 8.230 nan 0.000 0.452 14 G N 1.775 110.571 108.800 -0.006 0.000 2.616 14 G HA2 0.382 4.246 3.960 -0.161 0.000 0.268 14 G HA3 0.382 4.246 3.960 -0.161 0.000 0.268 14 G C 0.782 175.661 174.900 -0.036 0.000 1.213 14 G CA 0.095 45.196 45.100 0.002 0.000 0.926 14 G HN 0.782 nan 8.290 nan 0.000 0.523 15 A N -0.909 121.892 122.820 -0.032 0.000 2.132 15 A HA 0.553 4.776 4.320 -0.161 0.000 0.213 15 A C 1.586 179.134 177.584 -0.061 0.000 1.154 15 A CA 1.606 53.576 52.037 -0.111 0.000 0.753 15 A CB -0.790 18.120 19.000 -0.150 0.000 0.826 15 A HN 2.525 nan 8.150 nan 0.000 0.469 16 G N -0.970 107.820 108.800 -0.017 0.000 2.548 16 G HA2 -0.040 3.823 3.960 -0.161 0.000 0.208 16 G HA3 -0.040 3.823 3.960 -0.161 0.000 0.208 16 G C -3.079 171.817 174.900 -0.007 0.000 1.308 16 G CA -0.423 44.665 45.100 -0.019 0.000 0.924 16 G HN 0.340 nan 8.290 nan 0.000 0.540 17 P HA 0.434 nan 4.420 nan 0.000 0.271 17 P C 0.177 177.471 177.300 -0.011 0.000 1.218 17 P CA -0.332 62.752 63.100 -0.027 0.000 0.780 17 P CB 0.437 32.108 31.700 -0.049 0.000 0.901 18 I N 2.706 123.271 120.570 -0.007 0.000 2.598 18 I HA 0.069 4.143 4.170 -0.161 0.000 0.284 18 I C 0.911 177.017 176.117 -0.018 0.000 1.140 18 I CA 0.026 61.331 61.300 0.007 0.000 1.420 18 I CB -0.102 37.900 38.000 0.004 0.000 1.387 18 I HN 0.203 nan 8.210 nan 0.000 0.553 19 V N 5.232 125.137 119.914 -0.014 0.000 3.160 19 V HA 0.580 4.603 4.120 -0.161 0.000 0.310 19 V C -0.080 175.982 176.094 -0.053 0.000 1.181 19 V CA -1.194 61.078 62.300 -0.047 0.000 1.047 19 V CB 2.007 33.796 31.823 -0.057 0.000 1.068 19 V HN 0.418 nan 8.190 nan 0.000 0.441 20 I N 2.360 122.871 120.570 -0.098 0.000 2.598 20 I HA 0.463 4.537 4.170 -0.161 0.000 0.284 20 I C 1.521 177.572 176.117 -0.109 0.000 1.140 20 I CA 1.924 63.153 61.300 -0.118 0.000 1.420 20 I CB 0.649 38.535 38.000 -0.190 0.000 1.387 20 I HN 1.265 nan 8.210 nan 0.000 0.553 21 G N 4.738 113.486 108.800 -0.088 0.000 2.284 21 G HA2 -0.280 3.583 3.960 -0.161 0.000 0.230 21 G HA3 -0.280 3.583 3.960 -0.161 0.000 0.230 21 G C 0.348 175.273 174.900 0.042 0.000 1.021 21 G CA -0.025 45.032 45.100 -0.071 0.000 0.619 21 G HN 0.577 nan 8.290 nan 0.000 0.510 22 Q N 0.437 120.283 119.800 0.076 0.000 3.090 22 Q HA 0.695 4.938 4.340 -0.161 0.000 0.241 22 Q C 0.295 176.426 176.000 0.219 0.000 0.958 22 Q CA 0.395 56.337 55.803 0.231 0.000 0.715 22 Q CB 0.779 29.578 28.738 0.102 0.000 1.298 22 Q HN 0.795 nan 8.270 nan 0.000 0.468 23 A N 0.411 123.350 122.820 0.199 0.000 3.888 23 A HA 0.299 4.523 4.320 -0.161 0.000 0.158 23 A C 1.037 178.679 177.584 0.095 0.000 1.485 23 A CA -0.107 51.991 52.037 0.102 0.000 1.261 23 A CB -0.394 18.613 19.000 0.013 0.000 1.670 23 A HN 0.789 nan 8.150 nan 0.000 0.661 24 C N 1.137 120.444 119.300 0.011 0.000 2.437 24 C HA -0.026 4.337 4.460 -0.161 0.000 0.283 24 C C 2.463 177.437 174.990 -0.028 0.000 1.424 24 C CA 0.777 59.804 59.018 0.014 0.000 1.782 24 C CB -1.550 26.199 27.740 0.015 0.000 1.833 24 C HN 0.804 nan 8.230 nan 0.000 0.532 25 E N 1.896 121.974 120.200 -0.205 0.000 2.086 25 E HA -0.252 4.001 4.350 -0.161 0.000 0.200 25 E C 1.609 178.054 176.600 -0.258 0.000 1.012 25 E CA 1.639 57.841 56.400 -0.329 0.000 0.812 25 E CB -0.923 28.339 29.700 -0.730 0.000 0.743 25 E HN 0.643 nan 8.360 nan 0.000 0.453 26 F N 2.025 122.033 119.950 0.096 0.000 2.216 26 F HA -0.098 4.331 4.527 -0.163 0.000 0.300 26 F C 2.251 178.088 175.800 0.063 0.000 1.085 26 F CA 1.305 59.345 58.000 0.066 0.000 1.326 26 F CB -0.738 38.284 39.000 0.037 0.000 1.027 26 F HN 0.061 nan 8.300 nan 0.000 0.497 27 D N -0.687 119.826 120.400 0.189 0.000 2.084 27 D HA -0.257 4.286 4.640 -0.161 0.000 0.196 27 D C 2.206 178.584 176.300 0.129 0.000 0.985 27 D CA 1.130 55.217 54.000 0.145 0.000 0.826 27 D CB -0.497 40.379 40.800 0.127 0.000 0.978 27 D HN 0.281 nan 8.370 nan 0.000 0.456 28 Y N 0.882 121.193 120.300 0.018 0.000 2.151 28 Y HA -0.222 4.231 4.550 -0.161 0.000 0.284 28 Y C 2.286 178.193 175.900 0.011 0.000 1.166 28 Y CA 2.165 60.265 58.100 0.000 0.000 1.163 28 Y CB -0.559 37.889 38.460 -0.021 0.000 0.974 28 Y HN -0.049 nan 8.280 nan 0.000 0.511 29 S N 0.110 115.744 115.700 -0.112 0.000 2.335 29 S HA -0.092 4.281 4.470 -0.161 0.000 0.216 29 S C 2.280 176.833 174.600 -0.078 0.000 1.032 29 S CA 1.177 59.290 58.200 -0.145 0.000 1.000 29 S CB -1.303 61.932 63.200 0.058 0.000 0.928 29 S HN 0.723 nan 8.310 nan 0.000 0.434 30 G N 1.479 110.302 108.800 0.037 0.000 2.503 30 G HA2 -0.192 3.671 3.960 -0.161 0.000 0.221 30 G HA3 -0.192 3.671 3.960 -0.161 0.000 0.221 30 G C 1.507 176.399 174.900 -0.013 0.000 1.131 30 G CA 1.188 46.308 45.100 0.033 0.000 0.756 30 G HN 0.584 nan 8.290 nan 0.000 0.572 31 A N -0.200 122.600 122.820 -0.033 0.000 1.930 31 A HA -0.014 4.210 4.320 -0.161 0.000 0.217 31 A C 2.312 179.834 177.584 -0.103 0.000 1.175 31 A CA 1.736 53.744 52.037 -0.048 0.000 0.627 31 A CB -0.322 18.663 19.000 -0.025 0.000 0.815 31 A HN 0.436 nan 8.150 nan 0.000 0.443 32 Q N -0.837 118.846 119.800 -0.195 0.000 2.119 32 Q HA -0.112 4.132 4.340 -0.161 0.000 0.201 32 Q C 2.413 178.340 176.000 -0.122 0.000 0.972 32 Q CA 1.295 56.964 55.803 -0.223 0.000 0.847 32 Q CB -0.268 28.232 28.738 -0.396 0.000 0.903 32 Q HN 0.695 nan 8.270 nan 0.000 0.433 33 A N 0.046 122.814 122.820 -0.087 0.000 1.897 33 A HA -0.150 4.073 4.320 -0.161 0.000 0.215 33 A C 2.369 179.933 177.584 -0.034 0.000 1.181 33 A CA 0.992 52.999 52.037 -0.049 0.000 0.620 33 A CB -0.838 18.145 19.000 -0.029 0.000 0.821 33 A HN 0.456 nan 8.150 nan 0.000 0.443 34 C N -0.591 118.694 119.300 -0.026 0.000 2.398 34 C HA -0.127 4.236 4.460 -0.161 0.000 0.276 34 C C 2.719 177.707 174.990 -0.003 0.000 1.222 34 C CA 1.603 60.617 59.018 -0.006 0.000 1.746 34 C CB -1.004 26.736 27.740 0.001 0.000 2.039 34 C HN 0.736 nan 8.230 nan 0.000 0.470 35 K N 0.821 121.207 120.400 -0.023 0.000 2.057 35 K HA -0.103 4.120 4.320 -0.161 0.000 0.207 35 K C 2.116 178.707 176.600 -0.016 0.000 1.049 35 K CA 1.525 57.799 56.287 -0.023 0.000 0.931 35 K CB -0.305 32.166 32.500 -0.048 0.000 0.714 35 K HN 0.409 nan 8.250 nan 0.000 0.440 36 A N 1.066 123.868 122.820 -0.031 0.000 1.902 36 A HA -0.124 4.099 4.320 -0.161 0.000 0.217 36 A C 2.079 179.671 177.584 0.013 0.000 1.181 36 A CA 1.336 53.355 52.037 -0.031 0.000 0.623 36 A CB -0.615 18.355 19.000 -0.050 0.000 0.818 36 A HN 0.320 nan 8.150 nan 0.000 0.443 37 L N -1.569 119.668 121.223 0.024 0.000 2.156 37 L HA -0.094 4.149 4.340 -0.161 0.000 0.208 37 L C 2.771 179.771 176.870 0.217 0.000 1.095 37 L CA 1.266 56.160 54.840 0.090 0.000 0.770 37 L CB -0.452 41.602 42.059 -0.009 0.000 0.914 37 L HN 0.440 nan 8.230 nan 0.000 0.439 38 R N 0.640 121.209 120.500 0.116 0.000 2.061 38 R HA -0.186 4.057 4.340 -0.161 0.000 0.230 38 R C 2.159 178.513 176.300 0.091 0.000 1.140 38 R CA 1.552 57.712 56.100 0.100 0.000 0.940 38 R CB -0.088 30.242 30.300 0.051 0.000 0.839 38 R HN 0.241 nan 8.270 nan 0.000 0.429 39 E N -0.113 120.124 120.200 0.061 0.000 2.187 39 E HA -0.207 4.046 4.350 -0.161 0.000 0.199 39 E C 1.349 177.987 176.600 0.063 0.000 1.004 39 E CA 1.300 57.724 56.400 0.040 0.000 0.813 39 E CB 0.138 29.845 29.700 0.011 0.000 0.736 39 E HN 0.299 nan 8.360 nan 0.000 0.468 40 E N -0.977 119.306 120.200 0.139 0.000 2.502 40 E HA 0.013 4.266 4.350 -0.161 0.000 0.194 40 E C 0.959 177.605 176.600 0.077 0.000 1.062 40 E CA 0.699 57.232 56.400 0.222 0.000 0.867 40 E CB 0.613 30.596 29.700 0.471 0.000 0.888 40 E HN 0.367 nan 8.360 nan 0.000 0.510 41 G N 1.192 110.014 108.800 0.038 0.000 2.182 41 G HA2 -0.294 3.569 3.960 -0.161 0.000 0.248 41 G HA3 -0.294 3.569 3.960 -0.161 0.000 0.248 41 G C -0.254 174.535 174.900 -0.185 0.000 1.042 41 G CA 0.106 45.157 45.100 -0.082 0.000 0.775 41 G HN 0.207 nan 8.290 nan 0.000 0.501 42 Y N -0.801 119.524 120.300 0.042 0.000 2.374 42 Y HA 0.634 5.088 4.550 -0.161 0.000 0.322 42 Y C 1.153 177.071 175.900 0.030 0.000 1.275 42 Y CA -0.835 57.289 58.100 0.040 0.000 1.307 42 Y CB 0.875 39.364 38.460 0.049 0.000 1.282 42 Y HN 0.124 nan 8.280 nan 0.000 0.509 43 R N 1.529 122.160 120.500 0.219 0.000 2.198 43 R HA 0.474 4.717 4.340 -0.161 0.000 0.339 43 R C -1.844 174.532 176.300 0.125 0.000 1.020 43 R CA -0.402 55.775 56.100 0.128 0.000 0.864 43 R CB 0.296 30.650 30.300 0.089 0.000 1.105 43 R HN 0.508 nan 8.270 nan 0.000 0.463 44 V N 7.160 127.132 119.914 0.098 0.000 2.364 44 V HA 0.328 4.351 4.120 -0.161 0.000 0.272 44 V C 0.165 176.299 176.094 0.066 0.000 1.036 44 V CA -0.540 61.806 62.300 0.076 0.000 0.880 44 V CB 1.111 32.973 31.823 0.065 0.000 0.991 44 V HN 0.627 nan 8.190 nan 0.000 0.460 45 I N 6.846 127.460 120.570 0.074 0.000 2.378 45 I HA 0.639 4.712 4.170 -0.161 0.000 0.291 45 I C -0.449 175.723 176.117 0.093 0.000 0.992 45 I CA -0.470 60.893 61.300 0.105 0.000 1.154 45 I CB 1.589 39.654 38.000 0.109 0.000 1.315 45 I HN 0.618 nan 8.210 nan 0.000 0.448 46 L N 5.784 127.079 121.223 0.120 0.000 2.422 46 L HA 0.859 5.102 4.340 -0.161 0.000 0.264 46 L C -1.278 175.665 176.870 0.122 0.000 0.984 46 L CA -0.830 54.062 54.840 0.088 0.000 0.819 46 L CB 2.047 44.138 42.059 0.053 0.000 1.330 46 L HN 0.357 nan 8.230 nan 0.000 0.410 47 V N 3.257 123.215 119.914 0.073 0.000 2.398 47 V HA 0.720 4.743 4.120 -0.161 0.000 0.286 47 V C -1.214 174.904 176.094 0.039 0.000 1.026 47 V CA 0.107 62.448 62.300 0.069 0.000 0.868 47 V CB 1.418 33.248 31.823 0.012 0.000 0.982 47 V HN 0.983 nan 8.190 nan 0.000 0.443 48 N N 3.337 122.063 118.700 0.043 0.000 2.578 48 N HA 0.210 4.853 4.740 -0.161 0.000 0.282 48 N C 0.496 176.015 175.510 0.015 0.000 1.119 48 N CA 0.249 53.313 53.050 0.024 0.000 0.948 48 N CB 2.268 40.773 38.487 0.030 0.000 1.546 48 N HN 0.675 nan 8.380 nan 0.000 0.525 49 S N 1.752 117.451 115.700 -0.001 0.000 2.474 49 S HA -0.056 4.317 4.470 -0.161 0.000 0.235 49 S C 0.750 175.339 174.600 -0.019 0.000 0.997 49 S CA 0.340 58.530 58.200 -0.016 0.000 0.949 49 S CB -0.230 62.949 63.200 -0.034 0.000 0.766 49 S HN 0.565 nan 8.310 nan 0.000 0.517 50 N N 3.177 121.871 118.700 -0.011 0.000 2.406 50 N HA 0.268 4.911 4.740 -0.161 0.000 0.251 50 N C -1.878 173.626 175.510 -0.011 0.000 1.069 50 N CA -2.359 50.681 53.050 -0.017 0.000 0.947 50 N CB 1.471 39.955 38.487 -0.006 0.000 1.111 50 N HN 0.043 nan 8.380 nan 0.000 0.497 51 P HA 0.015 nan 4.420 nan 0.000 0.225 51 P C 0.396 177.625 177.300 -0.118 0.000 1.156 51 P CA 0.581 63.672 63.100 -0.015 0.000 0.787 51 P CB 0.173 31.916 31.700 0.072 0.000 0.802 52 A N -0.060 122.673 122.820 -0.145 0.000 2.276 52 A HA 0.144 4.367 4.320 -0.161 0.000 0.212 52 A C 0.879 178.395 177.584 -0.114 0.000 1.230 52 A CA 0.360 52.240 52.037 -0.262 0.000 0.844 52 A CB -1.338 17.542 19.000 -0.200 0.000 0.860 52 A HN 0.308 nan 8.150 nan 0.000 0.486 53 T N -3.042 111.515 114.554 0.005 0.000 2.928 53 T HA 0.531 4.784 4.350 -0.161 0.000 0.284 53 T C 1.010 175.868 174.700 0.263 0.000 1.008 53 T CA -0.718 61.461 62.100 0.132 0.000 1.057 53 T CB 1.100 70.021 68.868 0.088 0.000 1.018 53 T HN 0.005 nan 8.240 nan 0.000 0.493 54 I N 1.680 122.389 120.570 0.232 0.000 2.617 54 I HA -0.072 4.001 4.170 -0.161 0.000 0.256 54 I C 2.395 178.586 176.117 0.122 0.000 1.167 54 I CA 1.294 62.692 61.300 0.164 0.000 1.469 54 I CB -0.678 37.357 38.000 0.059 0.000 1.098 54 I HN 0.855 nan 8.210 nan 0.000 0.436 55 M N 0.433 120.092 119.600 0.099 0.000 2.557 55 M HA -0.079 4.304 4.480 -0.161 0.000 0.259 55 M C 1.499 177.837 176.300 0.062 0.000 1.086 55 M CA 1.724 57.063 55.300 0.065 0.000 1.096 55 M CB -0.725 31.907 32.600 0.054 0.000 1.424 55 M HN 0.170 nan 8.290 nan 0.000 0.488 56 T N -2.800 111.804 114.554 0.085 0.000 3.122 56 T HA 0.169 4.423 4.350 -0.161 0.000 0.250 56 T C -0.015 174.725 174.700 0.066 0.000 1.067 56 T CA -0.512 61.623 62.100 0.059 0.000 0.966 56 T CB -0.468 68.426 68.868 0.044 0.000 1.002 56 T HN 0.235 nan 8.240 nan 0.000 0.542 57 D N 3.729 124.194 120.400 0.109 0.000 2.424 57 D HA 0.152 4.695 4.640 -0.161 0.000 0.244 57 D C -1.176 175.140 176.300 0.028 0.000 1.134 57 D CA -1.969 52.103 54.000 0.120 0.000 0.881 57 D CB 1.645 42.541 40.800 0.160 0.000 1.191 57 D HN 0.106 nan 8.370 nan 0.000 0.445 58 P HA -0.182 nan 4.420 nan 0.000 0.216 58 P C 0.605 177.875 177.300 -0.050 0.000 1.150 58 P CA 1.389 64.429 63.100 -0.100 0.000 0.843 58 P CB 0.173 31.778 31.700 -0.158 0.000 0.787 59 E N -1.230 118.963 120.200 -0.011 0.000 2.478 59 E HA -0.031 4.223 4.350 -0.161 0.000 0.198 59 E C 1.699 178.297 176.600 -0.004 0.000 1.046 59 E CA 0.715 57.110 56.400 -0.008 0.000 0.870 59 E CB -0.791 28.905 29.700 -0.006 0.000 0.818 59 E HN 0.164 nan 8.360 nan 0.000 0.527 60 M N 0.296 119.897 119.600 0.002 0.000 2.514 60 M HA 0.334 4.717 4.480 -0.161 0.000 0.258 60 M C 0.584 176.888 176.300 0.006 0.000 1.119 60 M CA 0.210 55.514 55.300 0.007 0.000 1.111 60 M CB -0.280 32.331 32.600 0.018 0.000 1.390 60 M HN 0.172 nan 8.290 nan 0.000 0.475 61 A N -0.287 122.532 122.820 -0.002 0.000 2.594 61 A HA 0.523 4.746 4.320 -0.161 0.000 0.291 61 A C -0.287 177.292 177.584 -0.008 0.000 1.105 61 A CA -0.638 51.402 52.037 0.004 0.000 0.694 61 A CB 0.670 19.675 19.000 0.009 0.000 1.291 61 A HN 0.193 nan 8.150 nan 0.000 0.410 62 D N 0.622 121.026 120.400 0.008 0.000 2.103 62 D HA 0.307 4.850 4.640 -0.161 0.000 0.199 62 D C 0.764 177.050 176.300 -0.024 0.000 0.978 62 D CA 1.839 55.840 54.000 0.001 0.000 0.829 62 D CB 0.113 40.927 40.800 0.024 0.000 0.981 62 D HN 0.736 nan 8.370 nan 0.000 0.464 63 A N 0.410 123.222 122.820 -0.012 0.000 2.410 63 A HA 0.524 4.747 4.320 -0.161 0.000 0.289 63 A C -0.669 176.864 177.584 -0.085 0.000 1.200 63 A CA -0.653 51.346 52.037 -0.064 0.000 0.751 63 A CB 0.921 19.959 19.000 0.063 0.000 1.161 63 A HN -0.052 nan 8.150 nan 0.000 0.459 64 T N 2.662 117.079 114.554 -0.228 0.000 2.743 64 T HA 0.453 4.706 4.350 -0.161 0.000 0.292 64 T C -1.096 173.408 174.700 -0.326 0.000 0.972 64 T CA 0.307 62.302 62.100 -0.174 0.000 0.967 64 T CB -0.016 68.770 68.868 -0.136 0.000 0.926 64 T HN 0.400 nan 8.240 nan 0.000 0.459 65 Y N 2.804 123.071 120.300 -0.055 0.000 2.478 65 Y HA 0.428 4.880 4.550 -0.162 0.000 0.329 65 Y C 0.528 176.394 175.900 -0.056 0.000 0.967 65 Y CA -0.980 57.083 58.100 -0.063 0.000 1.255 65 Y CB 0.432 38.856 38.460 -0.060 0.000 1.103 65 Y HN 0.583 nan 8.280 nan 0.000 0.497 66 I N 4.873 125.463 120.570 0.033 0.000 2.213 66 I HA 0.134 4.207 4.170 -0.161 0.000 0.295 66 I C -0.187 175.941 176.117 0.019 0.000 1.172 66 I CA 0.227 61.538 61.300 0.018 0.000 1.443 66 I CB -0.302 37.693 38.000 -0.008 0.000 1.491 66 I HN 0.516 nan 8.210 nan 0.000 0.652 67 E N 5.582 125.803 120.200 0.035 0.000 2.369 67 E HA 0.435 4.688 4.350 -0.161 0.000 0.270 67 E C -2.570 174.018 176.600 -0.019 0.000 0.909 67 E CA -2.238 54.164 56.400 0.003 0.000 0.775 67 E CB 1.654 31.367 29.700 0.020 0.000 1.270 67 E HN 0.002 nan 8.360 nan 0.000 0.445 68 P HA 0.029 nan 4.420 nan 0.000 0.260 68 P C 0.065 177.361 177.300 -0.008 0.000 1.185 68 P CA 0.555 63.630 63.100 -0.042 0.000 0.763 68 P CB -0.004 31.654 31.700 -0.071 0.000 0.776 69 I N 4.293 124.863 120.570 0.000 0.000 2.501 69 I HA -0.011 4.062 4.170 -0.161 0.000 0.305 69 I C 1.158 177.305 176.117 0.050 0.000 1.197 69 I CA 0.394 61.699 61.300 0.009 0.000 1.793 69 I CB -0.953 37.042 38.000 -0.009 0.000 1.521 69 I HN 0.403 nan 8.210 nan 0.000 0.843 70 H N 6.277 125.312 119.070 -0.058 0.000 2.529 70 H HA 0.027 4.486 4.556 -0.162 0.000 0.348 70 H C 0.741 176.031 175.328 -0.063 0.000 1.079 70 H CA -0.954 55.067 56.048 -0.045 0.000 1.198 70 H CB 1.213 30.915 29.762 -0.100 0.000 1.521 70 H HN 0.596 nan 8.280 nan 0.000 0.514 71 W N 5.312 126.378 121.300 -0.390 0.000 2.256 71 W HA -0.248 4.315 4.660 -0.162 0.000 0.311 71 W C 0.312 176.811 176.519 -0.033 0.000 1.258 71 W CA 1.581 58.795 57.345 -0.217 0.000 1.269 71 W CB -0.560 28.756 29.460 -0.239 0.000 1.134 71 W HN 0.665 nan 8.180 nan 0.000 0.518 72 E N 0.448 120.268 120.200 -0.633 0.000 2.158 72 E HA -0.114 4.139 4.350 -0.161 0.000 0.191 72 E C 2.402 178.833 176.600 -0.282 0.000 0.982 72 E CA 1.488 57.506 56.400 -0.636 0.000 0.823 72 E CB -0.071 29.254 29.700 -0.625 0.000 0.766 72 E HN 0.154 nan 8.360 nan 0.000 0.468 73 V N 0.525 120.358 119.914 -0.136 0.000 2.488 73 V HA -0.168 3.855 4.120 -0.161 0.000 0.246 73 V C 2.230 178.224 176.094 -0.167 0.000 1.046 73 V CA 0.976 63.188 62.300 -0.148 0.000 1.053 73 V CB -0.104 31.658 31.823 -0.101 0.000 0.679 73 V HN 0.124 nan 8.190 nan 0.000 0.458 74 V N 0.706 120.546 119.914 -0.123 0.000 2.490 74 V HA -0.250 3.773 4.120 -0.161 0.000 0.250 74 V C 2.563 178.547 176.094 -0.182 0.000 1.061 74 V CA 2.335 64.553 62.300 -0.137 0.000 1.064 74 V CB -0.879 30.906 31.823 -0.062 0.000 0.670 74 V HN 0.580 nan 8.190 nan 0.000 0.461 75 R N 0.458 120.860 120.500 -0.163 0.000 2.075 75 R HA -0.191 4.053 4.340 -0.161 0.000 0.232 75 R C 2.328 178.439 176.300 -0.315 0.000 1.126 75 R CA 1.581 57.556 56.100 -0.208 0.000 0.963 75 R CB -0.241 29.997 30.300 -0.104 0.000 0.858 75 R HN 0.238 nan 8.270 nan 0.000 0.435 76 K N 0.852 121.098 120.400 -0.257 0.000 2.074 76 K HA -0.087 4.136 4.320 -0.161 0.000 0.209 76 K C 1.863 178.279 176.600 -0.306 0.000 1.048 76 K CA 1.686 57.826 56.287 -0.246 0.000 0.926 76 K CB -0.340 32.042 32.500 -0.197 0.000 0.713 76 K HN 0.275 nan 8.250 nan 0.000 0.444 77 I N -0.088 120.260 120.570 -0.370 0.000 2.315 77 I HA -0.239 3.834 4.170 -0.161 0.000 0.248 77 I C 1.972 177.851 176.117 -0.396 0.000 1.117 77 I CA 0.960 61.953 61.300 -0.512 0.000 1.404 77 I CB -0.114 37.499 38.000 -0.645 0.000 1.071 77 I HN 0.107 nan 8.210 nan 0.000 0.419 78 I N 0.114 120.459 120.570 -0.376 0.000 2.252 78 I HA -0.255 3.818 4.170 -0.161 0.000 0.245 78 I C 2.656 178.490 176.117 -0.472 0.000 1.102 78 I CA 1.148 62.220 61.300 -0.380 0.000 1.385 78 I CB -0.396 37.351 38.000 -0.422 0.000 1.064 78 I HN 0.286 nan 8.210 nan 0.000 0.414 79 E N 1.727 121.551 120.200 -0.626 0.000 2.077 79 E HA -0.298 3.955 4.350 -0.161 0.000 0.193 79 E C 2.107 178.603 176.600 -0.172 0.000 0.989 79 E CA 1.605 57.703 56.400 -0.503 0.000 0.800 79 E CB 0.002 29.459 29.700 -0.404 0.000 0.746 79 E HN 0.434 nan 8.360 nan 0.000 0.452 80 K N -0.079 120.223 120.400 -0.163 0.000 2.228 80 K HA -0.061 4.162 4.320 -0.161 0.000 0.202 80 K C 1.628 178.211 176.600 -0.028 0.000 1.051 80 K CA 1.064 57.310 56.287 -0.069 0.000 0.960 80 K CB 0.240 32.703 32.500 -0.062 0.000 0.743 80 K HN -0.007 nan 8.250 nan 0.000 0.458 81 E N 0.200 120.361 120.200 -0.065 0.000 2.372 81 E HA 0.045 4.298 4.350 -0.161 0.000 0.201 81 E C -0.325 176.277 176.600 0.004 0.000 0.938 81 E CA -0.099 56.297 56.400 -0.008 0.000 0.944 81 E CB 0.526 30.241 29.700 0.026 0.000 0.937 81 E HN 0.086 nan 8.360 nan 0.000 0.495 82 R N 1.393 121.881 120.500 -0.020 0.000 2.974 82 R HA -0.124 4.120 4.340 -0.161 0.000 0.258 82 R C -2.685 173.641 176.300 0.042 0.000 0.892 82 R CA 0.225 56.345 56.100 0.034 0.000 0.664 82 R CB -1.433 28.912 30.300 0.075 0.000 1.478 82 R HN 0.178 nan 8.270 nan 0.000 0.498 83 P HA 0.150 nan 4.420 nan 0.000 0.285 83 P C -0.031 177.301 177.300 0.054 0.000 1.259 83 P CA -0.402 62.719 63.100 0.036 0.000 0.794 83 P CB 0.996 32.703 31.700 0.012 0.000 0.940 84 D N 0.947 121.384 120.400 0.061 0.000 2.149 84 D HA 0.020 4.563 4.640 -0.161 0.000 0.201 84 D C 0.726 177.059 176.300 0.055 0.000 0.972 84 D CA 1.359 55.398 54.000 0.065 0.000 0.835 84 D CB 0.367 41.212 40.800 0.076 0.000 0.966 84 D HN 0.472 nan 8.370 nan 0.000 0.476 85 A N -0.504 122.343 122.820 0.045 0.000 2.569 85 A HA 0.594 4.817 4.320 -0.161 0.000 0.290 85 A C -1.486 176.109 177.584 0.018 0.000 1.136 85 A CA -0.527 51.528 52.037 0.030 0.000 0.710 85 A CB 2.276 21.287 19.000 0.019 0.000 1.303 85 A HN -0.071 nan 8.150 nan 0.000 0.413 86 V N 0.703 120.624 119.914 0.012 0.000 2.577 86 V HA 0.665 4.688 4.120 -0.161 0.000 0.303 86 V C -1.680 174.414 176.094 -0.001 0.000 1.042 86 V CA -0.564 61.738 62.300 0.004 0.000 0.872 86 V CB 1.412 33.239 31.823 0.007 0.000 0.998 86 V HN 0.977 nan 8.190 nan 0.000 0.423 87 L N 10.037 131.255 121.223 -0.007 0.000 2.301 87 L HA 0.710 4.954 4.340 -0.161 0.000 0.278 87 L C -2.047 174.820 176.870 -0.004 0.000 1.022 87 L CA -1.238 53.597 54.840 -0.008 0.000 0.854 87 L CB 2.001 44.049 42.059 -0.018 0.000 1.226 87 L HN 0.515 nan 8.230 nan 0.000 0.429 88 P HA 0.126 nan 4.420 nan 0.000 0.266 88 P C 0.488 177.782 177.300 -0.010 0.000 1.381 88 P CA 0.157 63.253 63.100 -0.007 0.000 0.940 88 P CB 0.185 31.884 31.700 -0.001 0.000 1.435 89 T N -4.979 109.577 114.554 0.003 0.000 3.134 89 T HA 0.276 4.529 4.350 -0.161 0.000 0.260 89 T C 1.021 175.744 174.700 0.038 0.000 1.027 89 T CA -0.106 62.003 62.100 0.015 0.000 0.913 89 T CB -0.411 68.474 68.868 0.028 0.000 1.046 89 T HN -0.129 nan 8.240 nan 0.000 0.553 90 M N 1.234 120.851 119.600 0.030 0.000 2.484 90 M HA 0.397 4.780 4.480 -0.161 0.000 0.307 90 M C 0.991 177.336 176.300 0.075 0.000 1.149 90 M CA -0.013 55.339 55.300 0.086 0.000 0.972 90 M CB 0.907 33.547 32.600 0.066 0.000 1.400 90 M HN 0.446 nan 8.290 nan 0.000 0.508 91 G N 0.063 108.799 108.800 -0.106 0.000 4.885 91 G HA2 0.484 4.347 3.960 -0.161 0.000 0.263 91 G HA3 0.484 4.347 3.960 -0.161 0.000 0.263 91 G C 0.675 175.156 174.900 -0.699 0.000 1.168 91 G CA 0.075 44.990 45.100 -0.309 0.000 0.906 91 G HN 0.555 nan 8.290 nan 0.000 0.575 92 G N 0.956 109.057 108.800 -1.165 0.000 2.581 92 G HA2 -0.380 3.483 3.960 -0.161 0.000 0.291 92 G HA3 -0.380 3.483 3.960 -0.161 0.000 0.291 92 G C 1.032 175.700 174.900 -0.386 0.000 1.277 92 G CA 0.875 45.374 45.100 -1.002 0.000 0.959 92 G HN 0.656 nan 8.290 nan 0.000 0.554 93 Q N -0.911 118.729 119.800 -0.268 0.000 2.230 93 Q HA 0.067 4.310 4.340 -0.161 0.000 0.202 93 Q C 2.887 178.829 176.000 -0.096 0.000 0.963 93 Q CA 2.560 58.292 55.803 -0.118 0.000 0.866 93 Q CB -0.607 28.089 28.738 -0.069 0.000 0.931 93 Q HN 0.690 nan 8.270 nan 0.000 0.452 94 T N 0.093 114.560 114.554 -0.145 0.000 2.595 94 T HA -0.205 4.048 4.350 -0.161 0.000 0.264 94 T C 1.692 176.340 174.700 -0.088 0.000 1.058 94 T CA 1.678 63.716 62.100 -0.104 0.000 1.166 94 T CB -0.744 68.054 68.868 -0.117 0.000 0.863 94 T HN 0.477 nan 8.240 nan 0.000 0.415 95 A N 1.446 124.193 122.820 -0.122 0.000 1.884 95 A HA -0.118 4.105 4.320 -0.161 0.000 0.219 95 A C 2.360 179.914 177.584 -0.050 0.000 1.197 95 A CA 1.707 53.692 52.037 -0.086 0.000 0.637 95 A CB -1.111 17.829 19.000 -0.100 0.000 0.827 95 A HN 0.509 nan 8.150 nan 0.000 0.450 96 L N -0.516 120.679 121.223 -0.046 0.000 2.046 96 L HA -0.220 4.023 4.340 -0.161 0.000 0.208 96 L C 2.351 179.238 176.870 0.029 0.000 1.077 96 L CA 1.405 56.251 54.840 0.009 0.000 0.747 96 L CB -0.835 41.250 42.059 0.044 0.000 0.896 96 L HN 0.414 nan 8.230 nan 0.000 0.432 97 N N -0.403 118.303 118.700 0.011 0.000 2.142 97 N HA -0.182 4.462 4.740 -0.161 0.000 0.186 97 N C 1.935 177.411 175.510 -0.057 0.000 1.023 97 N CA 1.459 54.498 53.050 -0.018 0.000 0.852 97 N CB -0.822 37.651 38.487 -0.024 0.000 0.998 97 N HN 0.329 nan 8.380 nan 0.000 0.424 98 C N 1.288 120.563 119.300 -0.041 0.000 2.413 98 C HA -0.061 4.302 4.460 -0.161 0.000 0.276 98 C C 2.850 177.825 174.990 -0.025 0.000 1.236 98 C CA 1.199 60.199 59.018 -0.030 0.000 1.735 98 C CB -1.236 26.493 27.740 -0.018 0.000 2.031 98 C HN 0.494 nan 8.230 nan 0.000 0.474 99 A N -0.095 122.713 122.820 -0.021 0.000 1.859 99 A HA -0.156 4.068 4.320 -0.161 0.000 0.217 99 A C 1.927 179.494 177.584 -0.029 0.000 1.198 99 A CA 1.908 53.938 52.037 -0.012 0.000 0.629 99 A CB -0.857 18.142 19.000 -0.002 0.000 0.830 99 A HN 0.514 nan 8.150 nan 0.000 0.446 100 L N -0.430 120.767 121.223 -0.043 0.000 2.362 100 L HA -0.079 4.165 4.340 -0.161 0.000 0.219 100 L C 2.241 179.024 176.870 -0.145 0.000 1.134 100 L CA 2.091 56.883 54.840 -0.080 0.000 0.807 100 L CB -0.784 41.219 42.059 -0.094 0.000 0.927 100 L HN 0.612 nan 8.230 nan 0.000 0.447 101 E N -0.454 119.653 120.200 -0.156 0.000 2.051 101 E HA -0.130 4.123 4.350 -0.161 0.000 0.189 101 E C 2.222 178.685 176.600 -0.228 0.000 0.979 101 E CA 1.018 57.260 56.400 -0.263 0.000 0.803 101 E CB -0.206 29.314 29.700 -0.301 0.000 0.761 101 E HN 0.403 nan 8.360 nan 0.000 0.451 102 L N 0.645 121.830 121.223 -0.063 0.000 2.042 102 L HA -0.207 4.036 4.340 -0.161 0.000 0.210 102 L C 2.599 179.461 176.870 -0.013 0.000 1.076 102 L CA 1.846 56.705 54.840 0.031 0.000 0.749 102 L CB -0.539 41.554 42.059 0.058 0.000 0.893 102 L HN 0.275 nan 8.230 nan 0.000 0.432 103 E N 0.662 120.836 120.200 -0.043 0.000 2.031 103 E HA -0.273 3.980 4.350 -0.161 0.000 0.193 103 E C 2.352 178.908 176.600 -0.074 0.000 0.994 103 E CA 1.356 57.732 56.400 -0.040 0.000 0.800 103 E CB -0.223 29.454 29.700 -0.039 0.000 0.752 103 E HN 0.177 nan 8.360 nan 0.000 0.447 104 R N -0.143 120.277 120.500 -0.134 0.000 2.120 104 R HA -0.142 4.101 4.340 -0.161 0.000 0.234 104 R C 1.898 178.083 176.300 -0.192 0.000 1.123 104 R CA 1.697 57.696 56.100 -0.169 0.000 0.975 104 R CB -0.085 30.080 30.300 -0.225 0.000 0.866 104 R HN 0.274 nan 8.270 nan 0.000 0.446 105 Q N -1.078 118.581 119.800 -0.234 0.000 2.403 105 Q HA 0.092 4.335 4.340 -0.161 0.000 0.203 105 Q C 0.603 176.584 176.000 -0.032 0.000 0.932 105 Q CA 0.758 56.430 55.803 -0.218 0.000 0.945 105 Q CB 0.571 29.018 28.738 -0.485 0.000 1.045 105 Q HN 0.589 nan 8.270 nan 0.000 0.511 106 G N -0.905 107.887 108.800 -0.012 0.000 2.148 106 G HA2 -0.279 3.584 3.960 -0.161 0.000 0.254 106 G HA3 -0.279 3.584 3.960 -0.161 0.000 0.254 106 G C 0.709 175.663 174.900 0.090 0.000 0.981 106 G CA 0.430 45.546 45.100 0.026 0.000 0.670 106 G HN 0.276 nan 8.290 nan 0.000 0.528 107 V N 0.657 120.664 119.914 0.155 0.000 2.515 107 V HA -0.090 3.934 4.120 -0.161 0.000 0.250 107 V C 2.832 179.107 176.094 0.301 0.000 1.058 107 V CA 2.054 64.524 62.300 0.285 0.000 1.064 107 V CB -0.416 31.568 31.823 0.268 0.000 0.675 107 V HN 0.515 nan 8.190 nan 0.000 0.461 108 L N 0.088 121.409 121.223 0.163 0.000 2.291 108 L HA -0.117 4.127 4.340 -0.161 0.000 0.214 108 L C 2.499 179.433 176.870 0.107 0.000 1.120 108 L CA 1.678 56.595 54.840 0.128 0.000 0.799 108 L CB -0.407 41.692 42.059 0.067 0.000 0.925 108 L HN 0.472 nan 8.230 nan 0.000 0.446 109 E N 0.943 121.189 120.200 0.076 0.000 2.102 109 E HA -0.230 4.023 4.350 -0.161 0.000 0.190 109 E C 2.059 178.646 176.600 -0.022 0.000 0.971 109 E CA 0.808 57.223 56.400 0.024 0.000 0.821 109 E CB 0.050 29.753 29.700 0.005 0.000 0.777 109 E HN 0.413 nan 8.360 nan 0.000 0.460 110 E N -0.721 119.445 120.200 -0.056 0.000 2.204 110 E HA -0.161 4.092 4.350 -0.161 0.000 0.195 110 E C 0.468 176.705 176.600 -0.605 0.000 0.990 110 E CA 0.957 57.166 56.400 -0.318 0.000 0.821 110 E CB -0.061 29.429 29.700 -0.350 0.000 0.750 110 E HN 0.409 nan 8.360 nan 0.000 0.477 111 F N -0.399 119.558 119.950 0.012 0.000 2.683 111 F HA 0.389 4.820 4.527 -0.161 0.000 0.306 111 F C 1.143 176.949 175.800 0.010 0.000 1.102 111 F CA 0.038 58.044 58.000 0.009 0.000 1.244 111 F CB 1.082 40.087 39.000 0.007 0.000 1.029 111 F HN 0.058 nan 8.300 nan 0.000 0.545 112 G N 1.760 110.616 108.800 0.093 0.000 2.390 112 G HA2 -0.268 3.595 3.960 -0.161 0.000 0.299 112 G HA3 -0.268 3.595 3.960 -0.161 0.000 0.299 112 G C -0.041 174.909 174.900 0.084 0.000 1.002 112 G CA 0.196 45.335 45.100 0.064 0.000 0.979 112 G HN 0.193 nan 8.290 nan 0.000 0.513 113 V N 0.669 120.646 119.914 0.105 0.000 2.455 113 V HA 0.413 4.436 4.120 -0.161 0.000 0.273 113 V C 1.002 177.129 176.094 0.055 0.000 1.045 113 V CA 0.025 62.374 62.300 0.082 0.000 0.976 113 V CB 1.308 33.181 31.823 0.083 0.000 0.993 113 V HN 0.370 nan 8.190 nan 0.000 0.475 114 T N 6.432 121.012 114.554 0.043 0.000 2.882 114 T HA 0.405 4.658 4.350 -0.161 0.000 0.287 114 T C -0.039 174.676 174.700 0.025 0.000 0.992 114 T CA -0.321 61.799 62.100 0.032 0.000 1.076 114 T CB 1.046 69.931 68.868 0.029 0.000 0.961 114 T HN 0.646 nan 8.240 nan 0.000 0.490 115 M N 5.234 124.846 119.600 0.021 0.000 2.108 115 M HA 0.436 4.819 4.480 -0.161 0.000 0.347 115 M C -0.572 175.736 176.300 0.013 0.000 1.326 115 M CA -0.552 54.758 55.300 0.016 0.000 1.126 115 M CB -0.220 32.390 32.600 0.017 0.000 1.606 115 M HN 0.617 nan 8.290 nan 0.000 0.462 116 I N 1.334 121.909 120.570 0.007 0.000 2.822 116 I HA 0.953 5.026 4.170 -0.161 0.000 0.312 116 I C 0.733 176.853 176.117 0.005 0.000 1.011 116 I CA -0.127 61.175 61.300 0.003 0.000 1.105 116 I CB 1.638 39.632 38.000 -0.010 0.000 1.291 116 I HN 0.821 nan 8.210 nan 0.000 0.474 117 G N 2.730 111.535 108.800 0.009 0.000 5.219 117 G HA2 -0.088 3.775 3.960 -0.161 0.000 0.267 117 G HA3 -0.088 3.775 3.960 -0.161 0.000 0.267 117 G C 0.077 174.989 174.900 0.021 0.000 1.495 117 G CA 0.344 45.454 45.100 0.015 0.000 0.988 117 G HN 1.613 nan 8.290 nan 0.000 0.707 118 A N -0.169 122.663 122.820 0.020 0.000 2.469 118 A HA 0.935 5.158 4.320 -0.161 0.000 0.299 118 A C 0.147 177.744 177.584 0.022 0.000 1.098 118 A CA 0.991 53.042 52.037 0.023 0.000 0.737 118 A CB 1.467 20.481 19.000 0.023 0.000 1.312 118 A HN 2.069 nan 8.150 nan 0.000 0.414 119 T N -1.184 113.385 114.554 0.024 0.000 2.922 119 T HA 0.543 4.796 4.350 -0.161 0.000 0.285 119 T C 1.202 175.920 174.700 0.029 0.000 1.005 119 T CA 0.206 62.320 62.100 0.024 0.000 1.061 119 T CB 1.398 70.279 68.868 0.022 0.000 1.007 119 T HN 1.616 nan 8.240 nan 0.000 0.502 120 A N 1.593 124.429 122.820 0.028 0.000 2.024 120 A HA -0.070 4.153 4.320 -0.161 0.000 0.220 120 A C 1.930 179.542 177.584 0.046 0.000 1.164 120 A CA 2.146 54.204 52.037 0.035 0.000 0.643 120 A CB -1.132 17.880 19.000 0.021 0.000 0.806 120 A HN 1.022 nan 8.150 nan 0.000 0.451 121 D N -0.720 119.702 120.400 0.037 0.000 2.120 121 D HA 0.096 4.639 4.640 -0.161 0.000 0.202 121 D C 2.093 178.420 176.300 0.046 0.000 0.972 121 D CA 1.414 55.439 54.000 0.040 0.000 0.837 121 D CB -0.254 40.563 40.800 0.028 0.000 0.989 121 D HN 0.282 nan 8.370 nan 0.000 0.469 122 A N 0.643 123.486 122.820 0.037 0.000 1.859 122 A HA -0.204 4.019 4.320 -0.161 0.000 0.217 122 A C 2.451 180.058 177.584 0.038 0.000 1.198 122 A CA 1.779 53.837 52.037 0.036 0.000 0.629 122 A CB -1.206 17.812 19.000 0.031 0.000 0.830 122 A HN 0.408 nan 8.150 nan 0.000 0.446 123 I N -0.320 120.274 120.570 0.040 0.000 2.113 123 I HA -0.341 3.732 4.170 -0.161 0.000 0.242 123 I C 2.339 178.481 176.117 0.041 0.000 1.064 123 I CA 2.264 63.587 61.300 0.038 0.000 1.320 123 I CB -0.392 37.649 38.000 0.068 0.000 1.028 123 I HN 0.558 nan 8.210 nan 0.000 0.406 124 D N 0.433 120.902 120.400 0.114 0.000 2.178 124 D HA -0.231 4.312 4.640 -0.161 0.000 0.201 124 D C 2.194 178.540 176.300 0.077 0.000 0.980 124 D CA 1.204 55.315 54.000 0.185 0.000 0.842 124 D CB -0.002 40.923 40.800 0.208 0.000 0.948 124 D HN 0.106 nan 8.370 nan 0.000 0.472 125 K N -0.646 119.791 120.400 0.061 0.000 2.147 125 K HA -0.063 4.160 4.320 -0.161 0.000 0.205 125 K C 1.828 178.481 176.600 0.090 0.000 1.049 125 K CA 1.110 57.437 56.287 0.065 0.000 0.936 125 K CB -0.030 32.503 32.500 0.056 0.000 0.722 125 K HN 0.201 nan 8.250 nan 0.000 0.446 126 A N 0.559 123.402 122.820 0.039 0.000 1.943 126 A HA -0.004 4.220 4.320 -0.161 0.000 0.213 126 A C 1.595 179.052 177.584 -0.212 0.000 1.181 126 A CA 0.604 52.647 52.037 0.010 0.000 0.653 126 A CB -0.008 18.970 19.000 -0.038 0.000 0.833 126 A HN 0.184 nan 8.150 nan 0.000 0.451 127 E N 0.473 120.463 120.200 -0.349 0.000 2.358 127 E HA -0.071 4.182 4.350 -0.161 0.000 0.195 127 E C -0.295 175.833 176.600 -0.786 0.000 1.010 127 E CA 0.338 56.281 56.400 -0.763 0.000 0.856 127 E CB 0.043 28.974 29.700 -1.282 0.000 0.795 127 E HN 0.550 nan 8.360 nan 0.000 0.504 128 D N 1.014 121.207 120.400 -0.345 0.000 2.467 128 D HA 0.060 4.604 4.640 -0.161 0.000 0.220 128 D C 0.892 177.193 176.300 0.003 0.000 1.103 128 D CA -0.310 53.645 54.000 -0.075 0.000 0.886 128 D CB 0.448 41.328 40.800 0.133 0.000 1.025 128 D HN -0.087 nan 8.370 nan 0.000 0.514 129 R N 2.531 123.016 120.500 -0.024 0.000 2.244 129 R HA -0.198 4.045 4.340 -0.161 0.000 0.252 129 R C 1.988 178.345 176.300 0.095 0.000 1.177 129 R CA 0.814 56.929 56.100 0.024 0.000 1.004 129 R CB -0.113 30.167 30.300 -0.033 0.000 0.873 129 R HN 0.409 nan 8.270 nan 0.000 0.469 130 R N 1.236 121.791 120.500 0.092 0.000 2.075 130 R HA -0.025 4.218 4.340 -0.161 0.000 0.226 130 R C 2.162 178.512 176.300 0.083 0.000 1.114 130 R CA 0.976 57.132 56.100 0.094 0.000 0.972 130 R CB 0.078 30.453 30.300 0.124 0.000 0.869 130 R HN 0.174 nan 8.270 nan 0.000 0.437 131 R N -0.676 119.878 120.500 0.091 0.000 2.073 131 R HA -0.094 4.149 4.340 -0.161 0.000 0.229 131 R C 2.158 178.493 176.300 0.057 0.000 1.120 131 R CA 1.389 57.528 56.100 0.065 0.000 0.967 131 R CB -0.402 29.939 30.300 0.069 0.000 0.862 131 R HN 0.177 nan 8.270 nan 0.000 0.436 132 F N 2.378 122.306 119.950 -0.037 0.000 2.095 132 F HA -0.281 4.150 4.527 -0.160 0.000 0.298 132 F C 2.122 177.896 175.800 -0.044 0.000 1.104 132 F CA 1.794 59.762 58.000 -0.052 0.000 1.232 132 F CB -0.247 38.705 39.000 -0.080 0.000 0.987 132 F HN 0.027 nan 8.300 nan 0.000 0.475 133 D N -0.161 120.292 120.400 0.088 0.000 2.218 133 D HA -0.143 4.400 4.640 -0.161 0.000 0.204 133 D C 2.132 178.373 176.300 -0.098 0.000 0.976 133 D CA 1.420 55.415 54.000 -0.008 0.000 0.853 133 D CB 0.155 40.987 40.800 0.054 0.000 0.939 133 D HN 0.297 nan 8.370 nan 0.000 0.481 134 V N 1.120 120.987 119.914 -0.078 0.000 2.488 134 V HA -0.103 3.920 4.120 -0.161 0.000 0.246 134 V C 2.704 178.723 176.094 -0.124 0.000 1.046 134 V CA 1.374 63.628 62.300 -0.076 0.000 1.053 134 V CB -0.541 31.262 31.823 -0.034 0.000 0.679 134 V HN 0.194 nan 8.190 nan 0.000 0.458 135 A N -0.300 122.405 122.820 -0.192 0.000 1.930 135 A HA -0.172 4.051 4.320 -0.161 0.000 0.217 135 A C 2.211 179.638 177.584 -0.262 0.000 1.175 135 A CA 1.710 53.617 52.037 -0.218 0.000 0.627 135 A CB -0.429 18.412 19.000 -0.265 0.000 0.815 135 A HN 0.371 nan 8.150 nan 0.000 0.443 136 M N -0.169 119.201 119.600 -0.384 0.000 2.117 136 M HA -0.103 4.280 4.480 -0.161 0.000 0.262 136 M C 2.051 178.255 176.300 -0.161 0.000 1.065 136 M CA 2.111 57.221 55.300 -0.316 0.000 1.114 136 M CB -1.127 31.266 32.600 -0.345 0.000 1.361 136 M HN 0.578 nan 8.290 nan 0.000 0.408 137 K N 0.819 121.136 120.400 -0.138 0.000 2.057 137 K HA -0.178 4.045 4.320 -0.161 0.000 0.207 137 K C 2.023 178.583 176.600 -0.068 0.000 1.049 137 K CA 1.626 57.866 56.287 -0.079 0.000 0.931 137 K CB -0.297 32.166 32.500 -0.062 0.000 0.714 137 K HN 0.251 nan 8.250 nan 0.000 0.440 138 K N 1.413 121.765 120.400 -0.079 0.000 2.147 138 K HA -0.111 4.112 4.320 -0.161 0.000 0.205 138 K C 1.503 178.071 176.600 -0.054 0.000 1.049 138 K CA 1.528 57.779 56.287 -0.059 0.000 0.936 138 K CB -0.276 32.191 32.500 -0.054 0.000 0.722 138 K HN 0.560 nan 8.250 nan 0.000 0.446 139 I N -2.553 117.975 120.570 -0.069 0.000 3.864 139 I HA 0.329 4.402 4.170 -0.161 0.000 0.326 139 I C 0.556 176.653 176.117 -0.035 0.000 1.444 139 I CA 0.266 61.536 61.300 -0.050 0.000 1.195 139 I CB -0.133 37.835 38.000 -0.053 0.000 1.124 139 I HN 0.252 nan 8.210 nan 0.000 0.407 140 G N 1.874 110.655 108.800 -0.032 0.000 2.166 140 G HA2 -0.268 3.595 3.960 -0.161 0.000 0.260 140 G HA3 -0.268 3.595 3.960 -0.161 0.000 0.260 140 G C 0.038 174.934 174.900 -0.007 0.000 0.986 140 G CA 0.546 45.636 45.100 -0.016 0.000 0.683 140 G HN 0.510 nan 8.290 nan 0.000 0.527 141 L N -0.256 120.956 121.223 -0.018 0.000 2.343 141 L HA 0.620 4.863 4.340 -0.161 0.000 0.275 141 L C 0.630 177.504 176.870 0.006 0.000 1.056 141 L CA -0.834 54.010 54.840 0.008 0.000 0.804 141 L CB 1.424 43.497 42.059 0.023 0.000 1.203 141 L HN 0.154 nan 8.230 nan 0.000 0.440 142 E N 0.914 121.141 120.200 0.046 0.000 2.249 142 E HA 0.349 4.602 4.350 -0.161 0.000 0.280 142 E C -0.713 175.919 176.600 0.053 0.000 1.016 142 E CA -0.338 56.092 56.400 0.051 0.000 0.830 142 E CB 1.304 31.053 29.700 0.083 0.000 1.081 142 E HN 0.691 nan 8.360 nan 0.000 0.395 143 T N -0.294 114.277 114.554 0.028 0.000 2.910 143 T HA 0.752 5.005 4.350 -0.161 0.000 0.287 143 T C -0.239 174.459 174.700 -0.004 0.000 1.050 143 T CA -1.024 61.090 62.100 0.023 0.000 1.011 143 T CB 1.496 70.380 68.868 0.027 0.000 1.195 143 T HN 0.407 nan 8.240 nan 0.000 0.540 144 A N 0.796 123.597 122.820 -0.032 0.000 2.316 144 A HA 0.581 4.804 4.320 -0.161 0.000 0.284 144 A C 0.555 178.112 177.584 -0.046 0.000 1.115 144 A CA -0.782 51.214 52.037 -0.068 0.000 0.812 144 A CB 0.072 18.997 19.000 -0.124 0.000 1.064 144 A HN 0.807 nan 8.150 nan 0.000 0.489 145 R N 0.962 121.434 120.500 -0.047 0.000 2.504 145 R HA 0.172 4.415 4.340 -0.161 0.000 0.291 145 R C 0.224 176.498 176.300 -0.045 0.000 0.974 145 R CA 1.248 57.325 56.100 -0.038 0.000 1.077 145 R CB -0.021 30.254 30.300 -0.041 0.000 0.926 145 R HN 0.989 nan 8.270 nan 0.000 0.407 146 S N 1.080 116.759 115.700 -0.035 0.000 2.843 146 S HA 0.831 5.204 4.470 -0.161 0.000 0.301 146 S C -0.438 174.145 174.600 -0.029 0.000 1.206 146 S CA -0.559 57.621 58.200 -0.033 0.000 0.875 146 S CB 2.123 65.309 63.200 -0.023 0.000 1.248 146 S HN 0.665 nan 8.310 nan 0.000 0.555 147 G N -0.211 108.574 108.800 -0.025 0.000 2.732 147 G HA2 0.554 4.417 3.960 -0.161 0.000 0.296 147 G HA3 0.554 4.417 3.960 -0.161 0.000 0.296 147 G C -1.636 173.237 174.900 -0.046 0.000 1.448 147 G CA -0.731 44.352 45.100 -0.027 0.000 0.911 147 G HN 0.611 nan 8.290 nan 0.000 0.528 148 I N 1.073 121.601 120.570 -0.069 0.000 2.396 148 I HA 0.614 4.687 4.170 -0.161 0.000 0.292 148 I C 0.435 176.359 176.117 -0.320 0.000 0.999 148 I CA -0.585 60.608 61.300 -0.179 0.000 1.310 148 I CB 1.463 39.374 38.000 -0.147 0.000 1.404 148 I HN 0.656 nan 8.210 nan 0.000 0.496 149 A N 5.115 127.678 122.820 -0.428 0.000 2.374 149 A HA 0.597 4.820 4.320 -0.161 0.000 0.305 149 A C -0.494 176.819 177.584 -0.451 0.000 1.053 149 A CA -0.464 51.367 52.037 -0.344 0.000 0.726 149 A CB 0.582 19.530 19.000 -0.088 0.000 1.229 149 A HN 0.865 nan 8.150 nan 0.000 0.431 150 H N 0.716 119.803 119.070 0.028 0.000 2.827 150 H HA 0.242 4.701 4.556 -0.161 0.000 0.269 150 H C 0.507 175.847 175.328 0.019 0.000 1.031 150 H CA 0.874 56.934 56.048 0.020 0.000 1.202 150 H CB 1.072 30.845 29.762 0.019 0.000 1.511 150 H HN 0.699 nan 8.280 nan 0.000 0.517 151 T N -2.847 111.757 114.554 0.083 0.000 2.909 151 T HA 0.179 4.433 4.350 -0.161 0.000 0.299 151 T C 0.829 175.562 174.700 0.055 0.000 1.073 151 T CA -0.946 61.194 62.100 0.067 0.000 0.999 151 T CB 2.001 70.913 68.868 0.074 0.000 1.098 151 T HN -0.088 nan 8.240 nan 0.000 0.477 152 M N 1.512 121.142 119.600 0.050 0.000 2.149 152 M HA -0.027 4.356 4.480 -0.161 0.000 0.261 152 M C 2.051 178.416 176.300 0.109 0.000 1.064 152 M CA 2.071 57.411 55.300 0.067 0.000 1.102 152 M CB -1.143 31.487 32.600 0.050 0.000 1.369 152 M HN 0.951 nan 8.290 nan 0.000 0.408 153 E N -0.855 119.394 120.200 0.083 0.000 2.268 153 E HA -0.178 4.075 4.350 -0.161 0.000 0.195 153 E C 1.721 178.367 176.600 0.076 0.000 0.995 153 E CA 1.296 57.742 56.400 0.077 0.000 0.836 153 E CB -0.182 29.552 29.700 0.058 0.000 0.763 153 E HN 0.659 nan 8.360 nan 0.000 0.491 154 E N 0.157 120.402 120.200 0.077 0.000 2.060 154 E HA -0.055 4.198 4.350 -0.161 0.000 0.189 154 E C 2.081 178.728 176.600 0.078 0.000 0.974 154 E CA 0.665 57.103 56.400 0.064 0.000 0.808 154 E CB -0.042 29.691 29.700 0.054 0.000 0.768 154 E HN 0.393 nan 8.360 nan 0.000 0.453 155 A N 1.735 124.630 122.820 0.124 0.000 1.851 155 A HA -0.194 4.029 4.320 -0.161 0.000 0.216 155 A C 2.279 180.071 177.584 0.347 0.000 1.195 155 A CA 1.333 53.522 52.037 0.253 0.000 0.622 155 A CB -1.005 18.120 19.000 0.208 0.000 0.831 155 A HN 0.149 nan 8.150 nan 0.000 0.444 156 L N -0.472 120.963 121.223 0.352 0.000 2.089 156 L HA -0.284 3.959 4.340 -0.161 0.000 0.213 156 L C 2.959 179.823 176.870 -0.010 0.000 1.079 156 L CA 1.446 56.380 54.840 0.157 0.000 0.758 156 L CB -0.707 41.449 42.059 0.163 0.000 0.891 156 L HN 0.438 nan 8.230 nan 0.000 0.433 157 A N -0.288 122.543 122.820 0.019 0.000 1.898 157 A HA -0.088 4.136 4.320 -0.161 0.000 0.216 157 A C 2.339 179.887 177.584 -0.061 0.000 1.181 157 A CA 1.667 53.691 52.037 -0.022 0.000 0.620 157 A CB -0.745 18.255 19.000 0.001 0.000 0.819 157 A HN 0.192 nan 8.150 nan 0.000 0.442 158 V N -0.078 119.814 119.914 -0.037 0.000 2.261 158 V HA -0.202 3.821 4.120 -0.161 0.000 0.246 158 V C 2.874 178.873 176.094 -0.159 0.000 1.047 158 V CA 1.824 64.089 62.300 -0.060 0.000 1.015 158 V CB -1.424 30.395 31.823 -0.007 0.000 0.642 158 V HN 0.549 nan 8.190 nan 0.000 0.446 159 A N -0.238 122.422 122.820 -0.266 0.000 2.248 159 A HA 0.186 4.409 4.320 -0.161 0.000 0.210 159 A C 2.199 179.400 177.584 -0.639 0.000 1.174 159 A CA 1.430 53.103 52.037 -0.607 0.000 0.750 159 A CB -0.519 17.693 19.000 -1.314 0.000 0.780 159 A HN 0.580 nan 8.150 nan 0.000 0.478 160 A N -0.441 122.156 122.820 -0.371 0.000 2.030 160 A HA 0.070 4.293 4.320 -0.161 0.000 0.215 160 A C 1.754 179.202 177.584 -0.227 0.000 1.164 160 A CA 1.366 53.239 52.037 -0.273 0.000 0.697 160 A CB -0.215 18.694 19.000 -0.153 0.000 0.827 160 A HN 0.482 nan 8.150 nan 0.000 0.457 161 D N 0.213 120.491 120.400 -0.202 0.000 2.096 161 D HA -0.132 4.411 4.640 -0.161 0.000 0.214 161 D C 2.170 178.368 176.300 -0.170 0.000 0.974 161 D CA 2.714 56.625 54.000 -0.149 0.000 0.890 161 D CB -0.448 40.288 40.800 -0.107 0.000 1.016 161 D HN 0.337 nan 8.370 nan 0.000 0.447 162 V N -1.991 117.814 119.914 -0.182 0.000 2.380 162 V HA 0.149 4.172 4.120 -0.161 0.000 0.251 162 V C 1.345 177.321 176.094 -0.196 0.000 1.063 162 V CA 1.600 63.801 62.300 -0.165 0.000 1.055 162 V CB -1.448 30.296 31.823 -0.132 0.000 0.657 162 V HN 0.595 nan 8.190 nan 0.000 0.455 163 G N -0.889 107.710 108.800 -0.335 0.000 2.592 163 G HA2 0.006 3.869 3.960 -0.161 0.000 0.684 163 G HA3 0.006 3.869 3.960 -0.161 0.000 0.684 163 G C -0.964 173.653 174.900 -0.471 0.000 1.291 163 G CA -0.362 44.514 45.100 -0.374 0.000 0.891 163 G HN 0.611 nan 8.290 nan 0.000 0.544 164 F N 1.340 121.265 119.950 -0.042 0.000 2.495 164 F HA 0.670 5.101 4.527 -0.160 0.000 0.327 164 F C -1.259 174.562 175.800 0.035 0.000 1.103 164 F CA -1.681 56.310 58.000 -0.014 0.000 0.949 164 F CB 1.691 40.695 39.000 0.008 0.000 1.142 164 F HN 0.438 nan 8.300 nan 0.000 0.457 165 P HA 0.553 nan 4.420 nan 0.000 0.278 165 P C -1.199 176.161 177.300 0.101 0.000 1.266 165 P CA -0.516 62.723 63.100 0.231 0.000 0.807 165 P CB 0.972 32.724 31.700 0.086 0.000 1.094 166 C N -1.137 118.222 119.300 0.099 0.000 3.086 166 C HA 0.763 5.126 4.460 -0.161 0.000 0.311 166 C C -0.832 174.176 174.990 0.031 0.000 1.260 166 C CA -0.885 58.156 59.018 0.038 0.000 1.426 166 C CB 0.109 27.864 27.740 0.026 0.000 1.826 166 C HN 0.368 nan 8.230 nan 0.000 0.474 167 I N 2.017 122.586 120.570 -0.001 0.000 2.392 167 I HA 0.542 4.615 4.170 -0.161 0.000 0.295 167 I C -0.103 176.021 176.117 0.012 0.000 0.985 167 I CA -0.696 60.593 61.300 -0.019 0.000 1.221 167 I CB 1.371 39.338 38.000 -0.055 0.000 1.366 167 I HN 0.595 nan 8.210 nan 0.000 0.467 168 I N 6.594 127.165 120.570 0.001 0.000 2.330 168 I HA 0.425 4.498 4.170 -0.161 0.000 0.289 168 I C -0.065 176.027 176.117 -0.041 0.000 1.001 168 I CA -0.234 61.056 61.300 -0.017 0.000 1.193 168 I CB 0.431 38.392 38.000 -0.065 0.000 1.345 168 I HN 0.352 nan 8.210 nan 0.000 0.461 169 R N 7.383 127.857 120.500 -0.043 0.000 2.451 169 R HA 0.452 4.695 4.340 -0.161 0.000 0.307 169 R C -2.653 173.617 176.300 -0.051 0.000 0.965 169 R CA -1.781 54.289 56.100 -0.050 0.000 0.865 169 R CB 1.773 32.036 30.300 -0.062 0.000 1.174 169 R HN 0.216 nan 8.270 nan 0.000 0.455 170 P HA 0.108 nan 4.420 nan 0.000 0.274 170 P C -0.361 176.925 177.300 -0.023 0.000 1.231 170 P CA -0.270 62.815 63.100 -0.026 0.000 0.790 170 P CB 0.926 32.617 31.700 -0.016 0.000 0.951 171 S N 0.900 116.613 115.700 0.022 0.000 2.601 171 S HA 0.335 4.708 4.470 -0.161 0.000 0.271 171 S C -0.126 174.545 174.600 0.118 0.000 1.305 171 S CA -0.112 58.101 58.200 0.022 0.000 1.022 171 S CB -0.736 62.555 63.200 0.152 0.000 0.940 171 S HN 0.396 nan 8.310 nan 0.000 0.525 172 F N 0.412 120.337 119.950 -0.042 0.000 3.067 172 F HA -0.204 4.226 4.527 -0.162 0.000 0.279 172 F C 0.795 176.566 175.800 -0.049 0.000 0.945 172 F CA 0.971 58.944 58.000 -0.045 0.000 0.948 172 F CB -2.116 36.859 39.000 -0.041 0.000 0.898 172 F HN 0.595 nan 8.300 nan 0.000 0.746 173 T N -1.380 113.186 114.554 0.020 0.000 2.956 173 T HA 0.783 5.036 4.350 -0.161 0.000 0.312 173 T C -0.402 174.280 174.700 -0.030 0.000 1.151 173 T CA -0.475 61.627 62.100 0.003 0.000 1.024 173 T CB 2.365 71.234 68.868 0.002 0.000 1.140 173 T HN 0.396 nan 8.240 nan 0.000 0.473 174 M N 1.246 120.834 119.600 -0.020 0.000 2.755 174 M HA 0.898 5.281 4.480 -0.161 0.000 0.298 174 M C 0.955 177.252 176.300 -0.005 0.000 1.251 174 M CA 0.065 55.366 55.300 0.001 0.000 0.817 174 M CB 0.927 33.532 32.600 0.008 0.000 1.760 174 M HN 1.448 nan 8.290 nan 0.000 0.473 175 G N -0.702 108.111 108.800 0.021 0.000 2.160 175 G HA2 0.125 3.988 3.960 -0.161 0.000 0.251 175 G HA3 0.125 3.988 3.960 -0.161 0.000 0.251 175 G C 0.964 175.700 174.900 -0.273 0.000 1.008 175 G CA 0.533 45.525 45.100 -0.180 0.000 0.724 175 G HN 2.337 nan 8.290 nan 0.000 0.514 176 G N -1.334 107.447 108.800 -0.032 0.000 2.180 176 G HA2 -0.058 3.805 3.960 -0.161 0.000 0.263 176 G HA3 -0.058 3.805 3.960 -0.161 0.000 0.263 176 G C 0.641 175.516 174.900 -0.041 0.000 0.989 176 G CA 0.878 45.998 45.100 0.035 0.000 0.692 176 G HN 2.098 nan 8.290 nan 0.000 0.526 177 S N 0.054 115.714 115.700 -0.066 0.000 2.571 177 S HA 0.439 4.812 4.470 -0.161 0.000 0.297 177 S C 1.589 176.157 174.600 -0.054 0.000 1.234 177 S CA 0.787 58.943 58.200 -0.073 0.000 1.120 177 S CB 1.054 64.206 63.200 -0.079 0.000 0.923 177 S HN 2.113 nan 8.310 nan 0.000 0.504 178 G N 1.979 110.742 108.800 -0.062 0.000 2.141 178 G HA2 -0.065 3.798 3.960 -0.161 0.000 0.231 178 G HA3 -0.065 3.798 3.960 -0.161 0.000 0.231 178 G C 0.271 175.133 174.900 -0.063 0.000 0.984 178 G CA -0.154 44.910 45.100 -0.060 0.000 0.660 178 G HN 1.156 nan 8.290 nan 0.000 0.525 179 G N -1.438 107.330 108.800 -0.053 0.000 3.212 179 G HA2 1.075 4.938 3.960 -0.161 0.000 0.188 179 G HA3 1.075 4.938 3.960 -0.161 0.000 0.188 179 G C 0.390 175.263 174.900 -0.044 0.000 1.254 179 G CA 0.467 45.536 45.100 -0.052 0.000 0.957 179 G HN 1.978 nan 8.290 nan 0.000 0.596 180 G N -1.738 107.041 108.800 -0.035 0.000 2.359 180 G HA2 0.325 4.188 3.960 -0.161 0.000 0.303 180 G HA3 0.325 4.188 3.960 -0.161 0.000 0.303 180 G C -1.494 173.365 174.900 -0.068 0.000 1.293 180 G CA -0.649 44.429 45.100 -0.035 0.000 0.964 180 G HN 0.743 nan 8.290 nan 0.000 0.531 181 I N 1.258 121.754 120.570 -0.123 0.000 2.336 181 I HA 0.561 4.634 4.170 -0.161 0.000 0.292 181 I C 0.876 176.806 176.117 -0.312 0.000 0.991 181 I CA -0.483 60.651 61.300 -0.277 0.000 1.227 181 I CB 1.897 39.603 38.000 -0.490 0.000 1.366 181 I HN 0.823 nan 8.210 nan 0.000 0.466 182 A N 6.147 128.874 122.820 -0.154 0.000 2.650 182 A HA 0.314 4.538 4.320 -0.161 0.000 0.320 182 A C 0.187 177.707 177.584 -0.106 0.000 1.466 182 A CA -0.213 51.826 52.037 0.003 0.000 1.099 182 A CB -0.426 18.840 19.000 0.444 0.000 1.136 182 A HN 0.741 nan 8.150 nan 0.000 0.532 183 Y N 1.694 121.962 120.300 -0.054 0.000 2.263 183 Y HA -0.051 4.401 4.550 -0.163 0.000 0.292 183 Y C 1.311 176.970 175.900 -0.402 0.000 1.130 183 Y CA 1.551 59.593 58.100 -0.097 0.000 1.179 183 Y CB -0.101 38.324 38.460 -0.058 0.000 0.998 183 Y HN 0.882 nan 8.280 nan 0.000 0.532 184 N N -1.926 116.466 118.700 -0.513 0.000 3.102 184 N HA 0.256 4.899 4.740 -0.161 0.000 0.299 184 N C 0.607 175.592 175.510 -0.874 0.000 1.482 184 N CA -0.790 51.766 53.050 -0.823 0.000 0.785 184 N CB 0.580 38.890 38.487 -0.296 0.000 1.680 184 N HN -0.128 nan 8.380 nan 0.000 0.594 185 R N -0.423 119.787 120.500 -0.483 0.000 2.075 185 R HA -0.014 4.229 4.340 -0.161 0.000 0.232 185 R C 1.547 177.868 176.300 0.035 0.000 1.126 185 R CA 1.679 57.717 56.100 -0.104 0.000 0.963 185 R CB -0.453 29.882 30.300 0.059 0.000 0.858 185 R HN 0.798 nan 8.270 nan 0.000 0.435 186 E N 0.505 120.697 120.200 -0.013 0.000 2.153 186 E HA -0.227 4.026 4.350 -0.161 0.000 0.194 186 E C 1.595 178.208 176.600 0.022 0.000 0.988 186 E CA 1.403 57.812 56.400 0.016 0.000 0.811 186 E CB 0.029 29.728 29.700 -0.002 0.000 0.746 186 E HN 0.610 nan 8.360 nan 0.000 0.466 187 E N -0.348 119.851 120.200 -0.001 0.000 2.047 187 E HA -0.164 4.089 4.350 -0.161 0.000 0.191 187 E C 1.855 178.481 176.600 0.044 0.000 0.987 187 E CA 0.939 57.343 56.400 0.007 0.000 0.799 187 E CB -0.217 29.471 29.700 -0.021 0.000 0.752 187 E HN 0.258 nan 8.360 nan 0.000 0.449 188 F N 2.469 122.376 119.950 -0.072 0.000 2.095 188 F HA -0.225 4.205 4.527 -0.161 0.000 0.298 188 F C 2.110 177.923 175.800 0.020 0.000 1.104 188 F CA 1.617 59.626 58.000 0.015 0.000 1.232 188 F CB -0.072 38.997 39.000 0.115 0.000 0.987 188 F HN -0.041 nan 8.300 nan 0.000 0.475 189 E N -0.109 120.125 120.200 0.057 0.000 2.038 189 E HA -0.303 3.950 4.350 -0.161 0.000 0.195 189 E C 2.212 178.758 176.600 -0.089 0.000 1.000 189 E CA 1.590 57.975 56.400 -0.025 0.000 0.803 189 E CB -0.549 29.194 29.700 0.072 0.000 0.750 189 E HN 0.603 nan 8.360 nan 0.000 0.448 190 E N 0.592 120.760 120.200 -0.054 0.000 2.204 190 E HA -0.180 4.073 4.350 -0.161 0.000 0.195 190 E C 2.047 178.593 176.600 -0.090 0.000 0.990 190 E CA 0.623 56.989 56.400 -0.056 0.000 0.821 190 E CB 0.047 29.729 29.700 -0.029 0.000 0.750 190 E HN 0.224 nan 8.360 nan 0.000 0.477 191 I N -0.093 120.400 120.570 -0.128 0.000 2.260 191 I HA -0.264 3.809 4.170 -0.161 0.000 0.237 191 I C 2.595 178.591 176.117 -0.203 0.000 1.075 191 I CA 0.385 61.594 61.300 -0.152 0.000 1.376 191 I CB -0.271 37.632 38.000 -0.162 0.000 1.107 191 I HN 0.267 nan 8.210 nan 0.000 0.420 192 C N 0.885 119.980 119.300 -0.343 0.000 2.336 192 C HA -0.315 4.048 4.460 -0.161 0.000 0.275 192 C C 3.156 178.031 174.990 -0.192 0.000 1.175 192 C CA 1.442 60.242 59.018 -0.363 0.000 1.771 192 C CB -1.305 26.090 27.740 -0.576 0.000 2.030 192 C HN 0.657 nan 8.230 nan 0.000 0.442 193 A N -0.143 122.588 122.820 -0.148 0.000 1.873 193 A HA -0.279 3.945 4.320 -0.161 0.000 0.218 193 A C 2.219 179.757 177.584 -0.076 0.000 1.193 193 A CA 2.211 54.199 52.037 -0.082 0.000 0.629 193 A CB -0.774 18.193 19.000 -0.055 0.000 0.826 193 A HN 0.686 nan 8.150 nan 0.000 0.447 194 R N -0.752 119.694 120.500 -0.091 0.000 2.103 194 R HA -0.145 4.098 4.340 -0.161 0.000 0.242 194 R C 2.241 178.498 176.300 -0.071 0.000 1.142 194 R CA 1.711 57.761 56.100 -0.084 0.000 0.960 194 R CB -0.680 29.568 30.300 -0.086 0.000 0.858 194 R HN 0.499 nan 8.270 nan 0.000 0.439 195 G N 0.627 109.378 108.800 -0.082 0.000 2.404 195 G HA2 -0.209 3.654 3.960 -0.161 0.000 0.215 195 G HA3 -0.209 3.654 3.960 -0.161 0.000 0.215 195 G C 1.425 176.299 174.900 -0.044 0.000 1.174 195 G CA 0.597 45.656 45.100 -0.069 0.000 0.780 195 G HN 0.249 nan 8.290 nan 0.000 0.537 196 L N 0.168 121.363 121.223 -0.046 0.000 2.191 196 L HA -0.012 4.231 4.340 -0.161 0.000 0.212 196 L C 2.365 179.235 176.870 -0.001 0.000 1.103 196 L CA 1.059 55.889 54.840 -0.017 0.000 0.769 196 L CB -0.242 41.808 42.059 -0.015 0.000 0.908 196 L HN 0.111 nan 8.230 nan 0.000 0.438 197 D N -0.261 120.134 120.400 -0.008 0.000 2.137 197 D HA -0.124 4.419 4.640 -0.161 0.000 0.202 197 D C 2.032 178.332 176.300 0.001 0.000 0.970 197 D CA 0.622 54.624 54.000 0.004 0.000 0.837 197 D CB 0.162 40.962 40.800 0.001 0.000 0.981 197 D HN 0.009 nan 8.370 nan 0.000 0.475 198 L N 0.187 121.404 121.223 -0.010 0.000 2.083 198 L HA 0.028 4.271 4.340 -0.161 0.000 0.209 198 L C 0.846 177.719 176.870 0.006 0.000 1.083 198 L CA 0.986 55.821 54.840 -0.009 0.000 0.752 198 L CB -0.631 41.414 42.059 -0.023 0.000 0.899 198 L HN -0.149 nan 8.230 nan 0.000 0.433 199 S N -0.155 115.554 115.700 0.014 0.000 2.516 199 S HA 0.088 4.461 4.470 -0.161 0.000 0.282 199 S C -1.438 173.176 174.600 0.023 0.000 1.286 199 S CA -1.079 57.147 58.200 0.043 0.000 1.066 199 S CB 0.601 63.834 63.200 0.056 0.000 0.884 199 S HN 0.105 nan 8.310 nan 0.000 0.491 200 P HA -0.004 nan 4.420 nan 0.000 0.223 200 P C 1.099 178.323 177.300 -0.127 0.000 1.151 200 P CA 0.955 64.006 63.100 -0.082 0.000 0.787 200 P CB -0.185 31.424 31.700 -0.152 0.000 0.788 201 T N -4.995 109.530 114.554 -0.049 0.000 3.069 201 T HA 0.163 4.416 4.350 -0.161 0.000 0.252 201 T C 0.872 175.601 174.700 0.049 0.000 1.053 201 T CA -0.440 61.648 62.100 -0.019 0.000 0.964 201 T CB -0.600 68.318 68.868 0.082 0.000 1.005 201 T HN -0.097 nan 8.240 nan 0.000 0.532 202 K N 1.426 121.853 120.400 0.046 0.000 3.156 202 K HA -0.199 4.024 4.320 -0.161 0.000 0.266 202 K C -0.366 176.303 176.600 0.115 0.000 0.966 202 K CA 0.820 57.142 56.287 0.058 0.000 0.719 202 K CB -1.117 31.406 32.500 0.038 0.000 1.333 202 K HN 0.899 nan 8.250 nan 0.000 0.468 203 E N 0.661 120.933 120.200 0.119 0.000 2.340 203 E HA 0.536 4.789 4.350 -0.161 0.000 0.273 203 E C -1.162 175.448 176.600 0.018 0.000 0.891 203 E CA -0.907 55.569 56.400 0.127 0.000 0.757 203 E CB 1.351 31.201 29.700 0.251 0.000 1.231 203 E HN 0.221 nan 8.360 nan 0.000 0.439 204 L N 3.318 124.498 121.223 -0.073 0.000 2.370 204 L HA 0.527 4.770 4.340 -0.161 0.000 0.266 204 L C -1.116 175.700 176.870 -0.090 0.000 1.002 204 L CA -1.202 53.593 54.840 -0.075 0.000 0.818 204 L CB 2.079 44.086 42.059 -0.086 0.000 1.325 204 L HN 0.558 nan 8.230 nan 0.000 0.418 205 L N 3.781 124.971 121.223 -0.055 0.000 2.342 205 L HA 0.584 4.827 4.340 -0.161 0.000 0.276 205 L C -1.157 175.700 176.870 -0.023 0.000 0.997 205 L CA 0.093 54.908 54.840 -0.042 0.000 0.838 205 L CB 1.261 43.301 42.059 -0.032 0.000 1.224 205 L HN 0.381 nan 8.230 nan 0.000 0.416 206 I N 5.134 125.703 120.570 -0.001 0.000 2.312 206 I HA 0.362 4.435 4.170 -0.161 0.000 0.290 206 I C -0.483 175.635 176.117 0.001 0.000 1.008 206 I CA -0.005 61.318 61.300 0.038 0.000 1.226 206 I CB 0.830 38.900 38.000 0.116 0.000 1.371 206 I HN 0.578 nan 8.210 nan 0.000 0.468 207 D N 6.047 126.439 120.400 -0.012 0.000 2.269 207 D HA 0.254 4.797 4.640 -0.161 0.000 0.244 207 D C -0.280 175.985 176.300 -0.059 0.000 0.992 207 D CA -0.656 53.317 54.000 -0.045 0.000 0.894 207 D CB 1.614 42.375 40.800 -0.065 0.000 1.248 207 D HN 0.562 nan 8.370 nan 0.000 0.468 208 E N -0.452 119.701 120.200 -0.078 0.000 2.408 208 E HA 0.180 4.433 4.350 -0.161 0.000 0.259 208 E C -0.266 176.273 176.600 -0.102 0.000 1.110 208 E CA -0.656 55.693 56.400 -0.085 0.000 0.929 208 E CB 0.738 30.389 29.700 -0.081 0.000 0.971 208 E HN 0.187 nan 8.360 nan 0.000 0.438 209 S N 1.970 117.620 115.700 -0.082 0.000 2.528 209 S HA 0.161 4.535 4.470 -0.161 0.000 0.277 209 S C 0.252 174.745 174.600 -0.178 0.000 1.297 209 S CA -0.683 57.460 58.200 -0.095 0.000 1.052 209 S CB 0.072 63.258 63.200 -0.023 0.000 0.917 209 S HN 0.582 nan 8.310 nan 0.000 0.492 210 L N 5.040 126.094 121.223 -0.283 0.000 3.122 210 L HA 0.417 4.660 4.340 -0.161 0.000 0.274 210 L C -0.032 176.653 176.870 -0.308 0.000 1.222 210 L CA -0.294 54.179 54.840 -0.611 0.000 1.028 210 L CB 0.053 41.541 42.059 -0.953 0.000 1.386 210 L HN 0.607 nan 8.230 nan 0.000 0.578 211 I N 1.380 121.899 120.570 -0.086 0.000 2.826 211 I HA -0.050 4.023 4.170 -0.161 0.000 0.295 211 I C 1.508 177.703 176.117 0.130 0.000 1.213 211 I CA 1.561 62.877 61.300 0.027 0.000 1.436 211 I CB 0.454 38.489 38.000 0.060 0.000 1.348 211 I HN 0.462 nan 8.210 nan 0.000 0.570 212 G N 4.249 113.133 108.800 0.140 0.000 2.213 212 G HA2 -0.223 3.641 3.960 -0.161 0.000 0.236 212 G HA3 -0.223 3.641 3.960 -0.161 0.000 0.236 212 G C -0.103 174.981 174.900 0.306 0.000 0.991 212 G CA -0.577 44.622 45.100 0.165 0.000 0.629 212 G HN 0.493 nan 8.290 nan 0.000 0.517 213 W N 1.534 122.864 121.300 0.051 0.000 2.086 213 W HA 0.663 5.226 4.660 -0.162 0.000 0.355 213 W C 1.073 177.633 176.519 0.069 0.000 1.313 213 W CA -0.706 56.686 57.345 0.079 0.000 1.358 213 W CB 0.318 29.829 29.460 0.086 0.000 1.166 213 W HN 0.018 nan 8.180 nan 0.000 0.630 214 K N 1.136 121.735 120.400 0.331 0.000 2.202 214 K HA 0.189 4.412 4.320 -0.161 0.000 0.264 214 K C -0.384 176.303 176.600 0.145 0.000 1.010 214 K CA -0.389 55.996 56.287 0.164 0.000 0.940 214 K CB 0.841 33.432 32.500 0.152 0.000 0.983 214 K HN 0.350 nan 8.250 nan 0.000 0.475 215 E N 1.953 122.100 120.200 -0.088 0.000 2.199 215 E HA 0.271 4.524 4.350 -0.161 0.000 0.265 215 E C -1.571 174.886 176.600 -0.238 0.000 0.882 215 E CA -0.547 55.834 56.400 -0.032 0.000 0.759 215 E CB 0.871 30.562 29.700 -0.014 0.000 1.148 215 E HN 0.361 nan 8.360 nan 0.000 0.412 216 Y N 1.177 121.578 120.300 0.168 0.000 2.605 216 Y HA 0.433 4.887 4.550 -0.160 0.000 0.343 216 Y C -0.291 175.720 175.900 0.184 0.000 1.036 216 Y CA -0.737 57.458 58.100 0.158 0.000 1.065 216 Y CB 2.210 40.752 38.460 0.136 0.000 1.288 216 Y HN 0.424 nan 8.280 nan 0.000 0.481 217 E N 1.387 121.792 120.200 0.341 0.000 2.383 217 E HA 0.647 4.900 4.350 -0.161 0.000 0.275 217 E C -1.575 175.146 176.600 0.202 0.000 0.918 217 E CA -0.985 55.558 56.400 0.239 0.000 0.764 217 E CB 3.227 33.000 29.700 0.123 0.000 1.252 217 E HN 0.455 nan 8.360 nan 0.000 0.449 218 M N 1.447 121.148 119.600 0.169 0.000 2.386 218 M HA 0.285 4.668 4.480 -0.161 0.000 0.293 218 M C -1.271 175.059 176.300 0.051 0.000 1.120 218 M CA -0.811 54.544 55.300 0.091 0.000 0.909 218 M CB 2.401 35.039 32.600 0.063 0.000 1.661 218 M HN 0.296 nan 8.290 nan 0.000 0.452 219 E N 3.118 123.324 120.200 0.010 0.000 2.081 219 E HA 0.437 4.690 4.350 -0.161 0.000 0.276 219 E C -1.101 175.465 176.600 -0.057 0.000 0.950 219 E CA -0.284 56.105 56.400 -0.018 0.000 0.776 219 E CB 1.467 31.148 29.700 -0.033 0.000 1.094 219 E HN 0.362 nan 8.360 nan 0.000 0.402 220 V N 2.446 122.339 119.914 -0.034 0.000 2.630 220 V HA 0.513 4.536 4.120 -0.161 0.000 0.305 220 V C 0.200 176.269 176.094 -0.041 0.000 1.046 220 V CA -0.946 61.330 62.300 -0.041 0.000 0.934 220 V CB 2.052 33.874 31.823 -0.002 0.000 1.003 220 V HN 0.312 nan 8.190 nan 0.000 0.451 221 V N 3.895 123.779 119.914 -0.050 0.000 2.588 221 V HA 0.626 4.649 4.120 -0.161 0.000 0.304 221 V C -0.277 175.830 176.094 0.021 0.000 1.042 221 V CA -0.700 61.594 62.300 -0.010 0.000 0.877 221 V CB 1.980 33.795 31.823 -0.013 0.000 0.996 221 V HN 0.906 nan 8.190 nan 0.000 0.425 222 R N 2.510 123.034 120.500 0.041 0.000 2.628 222 R HA 0.615 4.858 4.340 -0.161 0.000 0.288 222 R C -1.633 174.703 176.300 0.060 0.000 0.980 222 R CA -0.522 55.606 56.100 0.046 0.000 0.891 222 R CB 1.913 32.235 30.300 0.037 0.000 1.188 222 R HN 0.962 nan 8.270 nan 0.000 0.450 223 D N 2.245 122.683 120.400 0.063 0.000 2.350 223 D HA 0.101 4.644 4.640 -0.161 0.000 0.238 223 D C 0.582 176.914 176.300 0.054 0.000 0.989 223 D CA -0.849 53.193 54.000 0.070 0.000 0.921 223 D CB 1.434 42.287 40.800 0.088 0.000 1.297 223 D HN 0.587 nan 8.370 nan 0.000 0.490 224 K N 0.999 121.431 120.400 0.052 0.000 2.228 224 K HA -0.239 3.984 4.320 -0.161 0.000 0.205 224 K C 0.219 176.840 176.600 0.035 0.000 1.045 224 K CA 1.284 57.594 56.287 0.039 0.000 0.931 224 K CB -0.405 32.114 32.500 0.032 0.000 0.727 224 K HN 0.180 nan 8.250 nan 0.000 0.458 225 N N 1.160 119.885 118.700 0.041 0.000 2.370 225 N HA -0.038 4.605 4.740 -0.161 0.000 0.198 225 N C -0.617 174.914 175.510 0.036 0.000 1.156 225 N CA 0.700 53.772 53.050 0.037 0.000 0.839 225 N CB 0.099 38.611 38.487 0.041 0.000 0.989 225 N HN 0.314 nan 8.380 nan 0.000 0.468 226 D N -0.775 119.647 120.400 0.037 0.000 3.090 226 D HA -0.170 4.373 4.640 -0.161 0.000 0.215 226 D C -0.944 175.379 176.300 0.039 0.000 1.140 226 D CA 0.448 54.468 54.000 0.034 0.000 0.937 226 D CB -1.440 39.377 40.800 0.027 0.000 1.108 226 D HN 0.188 nan 8.370 nan 0.000 0.420 227 N N 0.314 119.043 118.700 0.048 0.000 2.520 227 N HA 0.355 4.999 4.740 -0.161 0.000 0.273 227 N C -0.260 175.281 175.510 0.052 0.000 1.155 227 N CA 0.132 53.215 53.050 0.055 0.000 0.967 227 N CB 1.380 39.910 38.487 0.072 0.000 1.092 227 N HN 0.318 nan 8.380 nan 0.000 0.457 228 C N 3.639 122.966 119.300 0.045 0.000 2.752 228 C HA 0.694 5.057 4.460 -0.161 0.000 0.360 228 C C -0.833 174.167 174.990 0.015 0.000 1.081 228 C CA -0.732 58.304 59.018 0.030 0.000 1.272 228 C CB -0.669 27.085 27.740 0.024 0.000 1.754 228 C HN 0.755 nan 8.230 nan 0.000 0.483 229 I N 3.385 123.948 120.570 -0.013 0.000 2.934 229 I HA 0.735 4.808 4.170 -0.161 0.000 0.306 229 I C -1.116 174.940 176.117 -0.102 0.000 1.110 229 I CA -0.899 60.368 61.300 -0.056 0.000 1.019 229 I CB 1.539 39.482 38.000 -0.094 0.000 1.227 229 I HN 0.240 nan 8.210 nan 0.000 0.434 230 I N 4.114 124.622 120.570 -0.104 0.000 2.304 230 I HA 0.212 4.285 4.170 -0.161 0.000 0.291 230 I C 0.948 176.942 176.117 -0.205 0.000 1.018 230 I CA -0.617 60.618 61.300 -0.109 0.000 1.260 230 I CB 1.270 39.247 38.000 -0.038 0.000 1.390 230 I HN 0.554 nan 8.210 nan 0.000 0.475 231 V N 4.874 124.616 119.914 -0.287 0.000 2.649 231 V HA 0.009 4.032 4.120 -0.161 0.000 0.248 231 V C 0.671 176.629 176.094 -0.227 0.000 1.054 231 V CA 0.917 62.951 62.300 -0.443 0.000 1.073 231 V CB 0.406 31.880 31.823 -0.581 0.000 0.699 231 V HN 0.871 nan 8.190 nan 0.000 0.463 232 C N -0.241 118.992 119.300 -0.111 0.000 3.241 232 C HA 0.579 4.943 4.460 -0.161 0.000 0.348 232 C C -0.331 174.676 174.990 0.029 0.000 1.180 232 C CA -0.456 58.548 59.018 -0.023 0.000 1.273 232 C CB 1.234 28.968 27.740 -0.010 0.000 1.620 232 C HN 0.460 nan 8.230 nan 0.000 0.510 233 S N 4.151 119.902 115.700 0.085 0.000 2.501 233 S HA 0.905 5.278 4.470 -0.161 0.000 0.301 233 S C -1.026 173.665 174.600 0.151 0.000 1.096 233 S CA -0.514 57.761 58.200 0.124 0.000 1.063 233 S CB 1.216 64.531 63.200 0.192 0.000 1.042 233 S HN 0.691 nan 8.310 nan 0.000 0.494 234 I N 1.463 122.145 120.570 0.187 0.000 2.647 234 I HA 0.489 4.562 4.170 -0.161 0.000 0.295 234 I C -0.481 175.779 176.117 0.238 0.000 1.078 234 I CA -0.405 61.004 61.300 0.181 0.000 1.048 234 I CB 2.312 40.388 38.000 0.126 0.000 1.239 234 I HN 0.838 nan 8.210 nan 0.000 0.421 235 E N 5.600 125.908 120.200 0.181 0.000 2.191 235 E HA 0.356 4.609 4.350 -0.161 0.000 0.263 235 E C -1.068 175.544 176.600 0.019 0.000 0.881 235 E CA -0.631 55.788 56.400 0.032 0.000 0.757 235 E CB 1.104 30.913 29.700 0.181 0.000 1.147 235 E HN 0.560 nan 8.360 nan 0.000 0.414 236 N N 3.975 122.609 118.700 -0.111 0.000 2.518 236 N HA 0.041 4.684 4.740 -0.161 0.000 0.266 236 N C 0.199 175.696 175.510 -0.023 0.000 1.196 236 N CA -0.078 52.955 53.050 -0.028 0.000 0.947 236 N CB 0.666 39.127 38.487 -0.043 0.000 1.098 236 N HN 0.510 nan 8.380 nan 0.000 0.450 237 F N 1.863 121.668 119.950 -0.242 0.000 2.118 237 F HA 0.012 4.442 4.527 -0.161 0.000 0.293 237 F C 0.637 176.307 175.800 -0.216 0.000 1.102 237 F CA 0.851 58.549 58.000 -0.504 0.000 1.247 237 F CB 0.241 38.940 39.000 -0.501 0.000 1.017 237 F HN 0.395 nan 8.300 nan 0.000 0.475 238 D N 1.456 121.912 120.400 0.092 0.000 2.350 238 D HA 0.310 4.853 4.640 -0.161 0.000 0.249 238 D C 0.383 176.684 176.300 0.002 0.000 1.119 238 D CA 0.332 54.362 54.000 0.050 0.000 0.886 238 D CB 1.405 42.302 40.800 0.161 0.000 1.195 238 D HN 0.309 nan 8.370 nan 0.000 0.437 239 A N 3.155 125.968 122.820 -0.012 0.000 2.262 239 A HA 0.222 4.446 4.320 -0.161 0.000 0.273 239 A C 0.759 178.365 177.584 0.038 0.000 1.202 239 A CA -0.408 51.640 52.037 0.019 0.000 0.811 239 A CB 0.215 19.230 19.000 0.024 0.000 1.159 239 A HN 0.533 nan 8.150 nan 0.000 0.505 240 M N -0.386 119.250 119.600 0.060 0.000 2.249 240 M HA 0.307 4.691 4.480 -0.161 0.000 0.340 240 M C 1.342 177.659 176.300 0.028 0.000 1.166 240 M CA 1.804 57.124 55.300 0.034 0.000 1.115 240 M CB -0.048 32.569 32.600 0.028 0.000 1.606 240 M HN 1.423 nan 8.290 nan 0.000 0.448 241 G N 3.159 111.967 108.800 0.013 0.000 2.284 241 G HA2 -0.134 3.729 3.960 -0.161 0.000 0.201 241 G HA3 -0.134 3.729 3.960 -0.161 0.000 0.201 241 G C -0.022 174.914 174.900 0.060 0.000 0.998 241 G CA -0.612 44.506 45.100 0.031 0.000 0.651 241 G HN 0.573 nan 8.290 nan 0.000 0.489 242 I N 2.148 122.760 120.570 0.069 0.000 2.439 242 I HA 0.315 4.388 4.170 -0.161 0.000 0.285 242 I C 0.472 176.661 176.117 0.121 0.000 1.021 242 I CA -1.055 60.315 61.300 0.117 0.000 1.091 242 I CB 1.415 39.493 38.000 0.130 0.000 1.242 242 I HN 0.109 nan 8.210 nan 0.000 0.439 243 H N 4.990 124.102 119.070 0.069 0.000 3.134 243 H HA -0.088 4.372 4.556 -0.159 0.000 0.326 243 H C 1.110 176.473 175.328 0.059 0.000 1.017 243 H CA 1.417 57.496 56.048 0.051 0.000 1.359 243 H CB 1.222 31.015 29.762 0.053 0.000 1.300 243 H HN 0.862 nan 8.280 nan 0.000 0.596 244 T N 0.776 115.253 114.554 -0.129 0.000 2.720 244 T HA -0.135 4.118 4.350 -0.161 0.000 0.268 244 T C 2.154 176.964 174.700 0.182 0.000 1.037 244 T CA 1.072 63.188 62.100 0.026 0.000 1.144 244 T CB -0.663 68.170 68.868 -0.058 0.000 0.864 244 T HN 0.627 nan 8.240 nan 0.000 0.444 245 G N 0.736 109.787 108.800 0.418 0.000 2.559 245 G HA2 -0.051 3.812 3.960 -0.161 0.000 0.216 245 G HA3 -0.051 3.812 3.960 -0.161 0.000 0.216 245 G C 1.007 175.980 174.900 0.121 0.000 1.126 245 G CA 0.585 45.813 45.100 0.215 0.000 0.778 245 G HN 0.470 nan 8.290 nan 0.000 0.543 246 D N -0.453 120.081 120.400 0.223 0.000 2.398 246 D HA 0.209 4.752 4.640 -0.161 0.000 0.210 246 D C 0.628 177.109 176.300 0.301 0.000 1.094 246 D CA 0.048 54.213 54.000 0.274 0.000 0.839 246 D CB 0.689 41.715 40.800 0.376 0.000 0.963 246 D HN 0.087 nan 8.370 nan 0.000 0.506 247 S N -0.082 115.738 115.700 0.200 0.000 2.608 247 S HA 0.463 4.836 4.470 -0.161 0.000 0.291 247 S C 0.427 175.095 174.600 0.113 0.000 1.146 247 S CA -0.682 57.619 58.200 0.169 0.000 1.043 247 S CB 1.810 65.086 63.200 0.126 0.000 1.037 247 S HN 0.030 nan 8.310 nan 0.000 0.520 248 I N 2.715 123.343 120.570 0.097 0.000 2.529 248 I HA 0.239 4.312 4.170 -0.161 0.000 0.284 248 I C 0.736 176.871 176.117 0.031 0.000 1.082 248 I CA 0.083 61.371 61.300 -0.021 0.000 1.406 248 I CB 0.789 38.621 38.000 -0.279 0.000 1.405 248 I HN 0.695 nan 8.210 nan 0.000 0.548 249 T N 3.445 118.008 114.554 0.014 0.000 2.883 249 T HA 0.753 5.006 4.350 -0.161 0.000 0.296 249 T C -0.573 174.171 174.700 0.073 0.000 1.117 249 T CA -0.762 61.369 62.100 0.052 0.000 1.006 249 T CB 1.985 70.886 68.868 0.055 0.000 1.191 249 T HN 0.462 nan 8.240 nan 0.000 0.508 250 V N -1.644 118.351 119.914 0.136 0.000 2.962 250 V HA 1.014 5.037 4.120 -0.161 0.000 0.313 250 V C -0.536 175.657 176.094 0.165 0.000 1.099 250 V CA -1.191 61.217 62.300 0.181 0.000 0.971 250 V CB 1.227 33.243 31.823 0.323 0.000 1.028 250 V HN 1.572 nan 8.190 nan 0.000 0.430 251 A N 4.606 127.511 122.820 0.140 0.000 2.343 251 A HA 1.035 5.258 4.320 -0.161 0.000 0.316 251 A C -2.747 174.895 177.584 0.096 0.000 1.104 251 A CA -1.785 50.320 52.037 0.112 0.000 0.768 251 A CB 1.691 20.742 19.000 0.085 0.000 1.213 251 A HN 0.780 nan 8.150 nan 0.000 0.456 252 P HA 0.503 nan 4.420 nan 0.000 0.328 252 P C 0.092 177.464 177.300 0.120 0.000 1.305 252 P CA -0.275 62.869 63.100 0.075 0.000 0.745 252 P CB 0.532 32.241 31.700 0.016 0.000 1.462 253 A N -0.111 122.808 122.820 0.164 0.000 2.386 253 A HA 0.179 4.402 4.320 -0.161 0.000 0.248 253 A C 1.033 178.637 177.584 0.034 0.000 1.082 253 A CA 0.095 52.263 52.037 0.217 0.000 0.789 253 A CB -0.201 18.971 19.000 0.287 0.000 1.025 253 A HN 0.440 nan 8.150 nan 0.000 0.490 254 Q N -0.010 119.745 119.800 -0.075 0.000 2.477 254 Q HA 0.020 4.263 4.340 -0.161 0.000 0.252 254 Q C 1.147 176.856 176.000 -0.485 0.000 0.869 254 Q CA 1.550 57.097 55.803 -0.426 0.000 0.969 254 Q CB 0.026 28.155 28.738 -1.014 0.000 1.144 254 Q HN 0.964 nan 8.270 nan 0.000 0.577 255 T N -1.333 113.034 114.554 -0.311 0.000 3.258 255 T HA 0.528 4.781 4.350 -0.161 0.000 0.263 255 T C 0.329 174.965 174.700 -0.107 0.000 0.983 255 T CA -0.157 61.787 62.100 -0.260 0.000 0.907 255 T CB -0.522 68.216 68.868 -0.218 0.000 1.096 255 T HN -0.104 nan 8.240 nan 0.000 0.556 256 L N 2.060 123.220 121.223 -0.105 0.000 2.334 256 L HA 0.587 4.831 4.340 -0.161 0.000 0.273 256 L C 0.721 177.534 176.870 -0.095 0.000 1.013 256 L CA -1.158 53.617 54.840 -0.108 0.000 0.816 256 L CB 2.116 44.081 42.059 -0.157 0.000 1.278 256 L HN 0.293 nan 8.230 nan 0.000 0.431 257 T N -3.270 111.233 114.554 -0.085 0.000 2.849 257 T HA 0.061 4.314 4.350 -0.161 0.000 0.284 257 T C 0.654 175.322 174.700 -0.054 0.000 1.004 257 T CA -0.572 61.483 62.100 -0.075 0.000 1.021 257 T CB 1.465 70.293 68.868 -0.067 0.000 1.013 257 T HN 0.675 nan 8.240 nan 0.000 0.527 258 D N 0.342 120.704 120.400 -0.063 0.000 2.133 258 D HA -0.148 4.395 4.640 -0.161 0.000 0.195 258 D C 1.957 178.253 176.300 -0.007 0.000 0.997 258 D CA 1.513 55.482 54.000 -0.051 0.000 0.840 258 D CB -0.059 40.696 40.800 -0.076 0.000 0.947 258 D HN 0.616 nan 8.370 nan 0.000 0.452 259 K N -0.108 120.275 120.400 -0.029 0.000 2.063 259 K HA -0.167 4.056 4.320 -0.161 0.000 0.208 259 K C 2.191 178.765 176.600 -0.043 0.000 1.048 259 K CA 1.308 57.576 56.287 -0.031 0.000 0.928 259 K CB -0.083 32.393 32.500 -0.039 0.000 0.713 259 K HN 0.346 nan 8.250 nan 0.000 0.442 260 E N -0.462 119.702 120.200 -0.059 0.000 2.107 260 E HA -0.186 4.067 4.350 -0.161 0.000 0.191 260 E C 1.815 178.330 176.600 -0.142 0.000 0.982 260 E CA 0.811 57.145 56.400 -0.110 0.000 0.809 260 E CB -0.088 29.535 29.700 -0.129 0.000 0.756 260 E HN 0.295 nan 8.360 nan 0.000 0.459 261 Y N 1.968 122.143 120.300 -0.208 0.000 2.181 261 Y HA -0.260 4.193 4.550 -0.162 0.000 0.288 261 Y C 2.299 178.086 175.900 -0.188 0.000 1.146 261 Y CA 1.521 59.488 58.100 -0.222 0.000 1.164 261 Y CB 0.102 38.454 38.460 -0.180 0.000 0.982 261 Y HN -0.037 nan 8.280 nan 0.000 0.515 262 Q N 0.321 120.154 119.800 0.056 0.000 2.096 262 Q HA -0.191 4.052 4.340 -0.161 0.000 0.204 262 Q C 2.461 178.404 176.000 -0.096 0.000 0.982 262 Q CA 2.047 57.853 55.803 0.006 0.000 0.850 262 Q CB -0.668 28.085 28.738 0.025 0.000 0.901 262 Q HN 0.613 nan 8.270 nan 0.000 0.422 263 I N 0.335 120.831 120.570 -0.124 0.000 2.179 263 I HA -0.280 3.793 4.170 -0.161 0.000 0.242 263 I C 2.563 178.543 176.117 -0.230 0.000 1.088 263 I CA 1.095 62.310 61.300 -0.141 0.000 1.357 263 I CB -0.252 37.668 38.000 -0.134 0.000 1.051 263 I HN 0.205 nan 8.210 nan 0.000 0.409 264 M N 0.376 119.743 119.600 -0.388 0.000 2.117 264 M HA -0.241 4.142 4.480 -0.161 0.000 0.262 264 M C 2.526 178.539 176.300 -0.478 0.000 1.065 264 M CA 1.675 56.584 55.300 -0.651 0.000 1.114 264 M CB -0.151 31.922 32.600 -0.879 0.000 1.361 264 M HN 0.079 nan 8.290 nan 0.000 0.408 265 R N 0.244 120.494 120.500 -0.416 0.000 2.070 265 R HA -0.173 4.070 4.340 -0.161 0.000 0.233 265 R C 1.643 177.872 176.300 -0.119 0.000 1.137 265 R CA 2.524 58.460 56.100 -0.274 0.000 0.945 265 R CB -0.459 29.723 30.300 -0.196 0.000 0.845 265 R HN 0.568 nan 8.270 nan 0.000 0.430 266 N N 0.050 118.694 118.700 -0.093 0.000 2.043 266 N HA -0.195 4.449 4.740 -0.161 0.000 0.193 266 N C 1.911 177.419 175.510 -0.004 0.000 1.037 266 N CA 1.245 54.272 53.050 -0.038 0.000 0.851 266 N CB -0.278 38.188 38.487 -0.034 0.000 1.027 266 N HN 0.300 nan 8.380 nan 0.000 0.422 267 A N 0.931 123.750 122.820 -0.001 0.000 1.927 267 A HA -0.228 3.996 4.320 -0.161 0.000 0.220 267 A C 2.369 180.068 177.584 0.191 0.000 1.185 267 A CA 1.941 54.042 52.037 0.107 0.000 0.639 267 A CB -0.860 18.238 19.000 0.162 0.000 0.820 267 A HN 0.245 nan 8.150 nan 0.000 0.451 268 S N -0.534 115.287 115.700 0.201 0.000 2.359 268 S HA -0.194 4.179 4.470 -0.161 0.000 0.224 268 S C 2.037 176.694 174.600 0.095 0.000 1.035 268 S CA 1.936 60.258 58.200 0.203 0.000 1.018 268 S CB -0.419 62.860 63.200 0.132 0.000 0.876 268 S HN 0.613 nan 8.310 nan 0.000 0.448 269 M N 0.969 120.600 119.600 0.050 0.000 2.132 269 M HA -0.043 4.340 4.480 -0.161 0.000 0.263 269 M C 2.502 178.821 176.300 0.031 0.000 1.065 269 M CA 1.322 56.641 55.300 0.032 0.000 1.122 269 M CB -0.581 32.029 32.600 0.017 0.000 1.365 269 M HN 0.375 nan 8.290 nan 0.000 0.411 270 A N 0.143 122.981 122.820 0.031 0.000 1.933 270 A HA -0.096 4.127 4.320 -0.161 0.000 0.218 270 A C 2.279 179.870 177.584 0.012 0.000 1.175 270 A CA 1.539 53.587 52.037 0.017 0.000 0.628 270 A CB -0.995 18.013 19.000 0.014 0.000 0.814 270 A HN 0.293 nan 8.150 nan 0.000 0.444 271 V N -0.441 119.492 119.914 0.032 0.000 2.287 271 V HA -0.275 3.748 4.120 -0.161 0.000 0.248 271 V C 2.530 178.644 176.094 0.033 0.000 1.053 271 V CA 2.110 64.425 62.300 0.025 0.000 1.027 271 V CB -0.783 31.078 31.823 0.064 0.000 0.646 271 V HN 0.524 nan 8.190 nan 0.000 0.447 272 L N -0.461 120.786 121.223 0.041 0.000 2.012 272 L HA -0.172 4.072 4.340 -0.161 0.000 0.210 272 L C 2.683 179.569 176.870 0.026 0.000 1.073 272 L CA 1.979 56.841 54.840 0.038 0.000 0.748 272 L CB -0.620 41.459 42.059 0.034 0.000 0.891 272 L HN 0.215 nan 8.230 nan 0.000 0.431 273 R N -0.841 119.670 120.500 0.019 0.000 2.073 273 R HA -0.226 4.017 4.340 -0.161 0.000 0.234 273 R C 2.221 178.524 176.300 0.004 0.000 1.134 273 R CA 1.643 57.751 56.100 0.013 0.000 0.952 273 R CB -0.378 29.928 30.300 0.010 0.000 0.850 273 R HN 0.334 nan 8.270 nan 0.000 0.433 274 E N 0.988 121.184 120.200 -0.006 0.000 2.072 274 E HA -0.146 4.107 4.350 -0.161 0.000 0.191 274 E C 1.672 178.264 176.600 -0.013 0.000 0.985 274 E CA 1.007 57.393 56.400 -0.022 0.000 0.801 274 E CB -0.063 29.605 29.700 -0.054 0.000 0.750 274 E HN 0.102 nan 8.360 nan 0.000 0.452 275 I N 0.195 120.767 120.570 0.005 0.000 2.361 275 I HA 0.027 4.100 4.170 -0.161 0.000 0.251 275 I C 1.574 177.707 176.117 0.027 0.000 1.133 275 I CA 1.648 62.967 61.300 0.031 0.000 1.413 275 I CB -0.285 37.762 38.000 0.079 0.000 1.073 275 I HN 0.397 nan 8.210 nan 0.000 0.424 276 G N 0.114 108.927 108.800 0.023 0.000 2.226 276 G HA2 -0.141 3.722 3.960 -0.161 0.000 0.176 276 G HA3 -0.141 3.722 3.960 -0.161 0.000 0.176 276 G C -0.099 174.816 174.900 0.025 0.000 1.042 276 G CA -0.132 44.981 45.100 0.021 0.000 0.732 276 G HN 0.115 nan 8.290 nan 0.000 0.494 277 V N 0.224 120.155 119.914 0.028 0.000 2.334 277 V HA 0.458 4.481 4.120 -0.161 0.000 0.267 277 V C 1.015 177.127 176.094 0.030 0.000 1.040 277 V CA 0.245 62.563 62.300 0.029 0.000 0.866 277 V CB 1.340 33.182 31.823 0.031 0.000 1.019 277 V HN 0.497 nan 8.190 nan 0.000 0.468 278 E N 2.122 122.340 120.200 0.030 0.000 2.434 278 E HA 0.046 4.299 4.350 -0.161 0.000 0.207 278 E C 0.771 177.394 176.600 0.038 0.000 0.929 278 E CA 0.493 56.913 56.400 0.032 0.000 1.001 278 E CB 0.771 30.487 29.700 0.027 0.000 1.016 278 E HN 0.819 nan 8.360 nan 0.000 0.502 279 T N -1.193 113.384 114.554 0.039 0.000 3.393 279 T HA 0.623 4.877 4.350 -0.161 0.000 0.255 279 T C 0.122 174.852 174.700 0.051 0.000 1.008 279 T CA -0.300 61.828 62.100 0.047 0.000 1.053 279 T CB 1.016 69.910 68.868 0.042 0.000 1.120 279 T HN 0.142 nan 8.240 nan 0.000 0.538 280 G N -0.403 108.428 108.800 0.052 0.000 2.428 280 G HA2 0.607 4.470 3.960 -0.161 0.000 0.304 280 G HA3 0.607 4.470 3.960 -0.161 0.000 0.304 280 G C -0.705 174.227 174.900 0.052 0.000 1.303 280 G CA -0.273 44.861 45.100 0.056 0.000 0.825 280 G HN 0.488 nan 8.290 nan 0.000 0.484 281 G N -0.982 107.850 108.800 0.054 0.000 2.437 281 G HA2 0.646 4.510 3.960 -0.161 0.000 0.319 281 G HA3 0.646 4.510 3.960 -0.161 0.000 0.319 281 G C -0.473 174.450 174.900 0.038 0.000 1.158 281 G CA 0.252 45.378 45.100 0.043 0.000 0.899 281 G HN 1.139 nan 8.290 nan 0.000 0.502 282 S N -0.828 114.889 115.700 0.027 0.000 2.587 282 S HA 0.376 4.749 4.470 -0.161 0.000 0.269 282 S C -1.052 173.558 174.600 0.016 0.000 1.154 282 S CA -0.903 57.311 58.200 0.023 0.000 0.824 282 S CB 1.920 65.132 63.200 0.020 0.000 1.118 282 S HN 0.790 nan 8.310 nan 0.000 0.462 283 N N 1.179 119.883 118.700 0.007 0.000 2.372 283 N HA 0.582 5.225 4.740 -0.161 0.000 0.291 283 N C -1.621 173.873 175.510 -0.027 0.000 1.024 283 N CA -0.259 52.792 53.050 0.002 0.000 0.873 283 N CB 1.352 39.842 38.487 0.004 0.000 1.206 283 N HN 0.345 nan 8.380 nan 0.000 0.486 284 V N 3.056 122.964 119.914 -0.010 0.000 2.448 284 V HA 0.340 4.363 4.120 -0.161 0.000 0.295 284 V C -0.455 175.532 176.094 -0.178 0.000 1.025 284 V CA -0.747 61.488 62.300 -0.108 0.000 0.859 284 V CB 1.544 33.328 31.823 -0.064 0.000 0.988 284 V HN 0.660 nan 8.190 nan 0.000 0.431 285 Q N 3.744 123.336 119.800 -0.348 0.000 2.266 285 Q HA 0.807 5.050 4.340 -0.161 0.000 0.261 285 Q C -1.596 174.106 176.000 -0.497 0.000 0.985 285 Q CA -0.439 55.217 55.803 -0.245 0.000 0.873 285 Q CB 2.503 31.171 28.738 -0.118 0.000 1.306 285 Q HN 0.605 nan 8.270 nan 0.000 0.447 286 F N -0.018 119.986 119.950 0.088 0.000 2.599 286 F HA 0.737 5.167 4.527 -0.162 0.000 0.311 286 F C -0.603 175.304 175.800 0.179 0.000 1.076 286 F CA -1.021 57.056 58.000 0.127 0.000 0.937 286 F CB 1.975 41.063 39.000 0.146 0.000 1.282 286 F HN 0.608 nan 8.300 nan 0.000 0.460 287 A N 1.474 124.541 122.820 0.411 0.000 2.342 287 A HA 0.846 5.069 4.320 -0.161 0.000 0.323 287 A C -1.584 176.352 177.584 0.586 0.000 1.125 287 A CA -0.705 51.575 52.037 0.405 0.000 0.785 287 A CB 1.330 20.446 19.000 0.193 0.000 1.221 287 A HN 0.534 nan 8.150 nan 0.000 0.463 288 V N 2.886 123.161 119.914 0.602 0.000 2.540 288 V HA 0.290 4.313 4.120 -0.161 0.000 0.302 288 V C -0.309 175.895 176.094 0.185 0.000 1.035 288 V CA -0.905 61.646 62.300 0.417 0.000 0.873 288 V CB 1.888 33.908 31.823 0.328 0.000 0.992 288 V HN 0.915 nan 8.190 nan 0.000 0.428 289 N N 7.335 125.785 118.700 -0.418 0.000 2.402 289 N HA 0.245 4.888 4.740 -0.161 0.000 0.252 289 N C -1.517 173.706 175.510 -0.479 0.000 1.118 289 N CA -2.009 50.328 53.050 -1.189 0.000 0.945 289 N CB 1.749 39.178 38.487 -1.763 0.000 1.147 289 N HN 0.274 nan 8.380 nan 0.000 0.495 290 P HA -0.134 nan 4.420 nan 0.000 0.221 290 P C 0.653 177.875 177.300 -0.131 0.000 1.145 290 P CA 1.340 64.371 63.100 -0.115 0.000 0.795 290 P CB 0.470 32.160 31.700 -0.016 0.000 0.775 291 K N -0.447 119.840 120.400 -0.187 0.000 2.167 291 K HA -0.036 4.187 4.320 -0.161 0.000 0.203 291 K C 1.128 177.648 176.600 -0.134 0.000 1.052 291 K CA 1.341 57.544 56.287 -0.139 0.000 0.956 291 K CB -0.062 32.357 32.500 -0.136 0.000 0.735 291 K HN 0.237 nan 8.250 nan 0.000 0.451 292 N N -2.252 116.341 118.700 -0.179 0.000 2.116 292 N HA 0.097 4.741 4.740 -0.161 0.000 0.230 292 N C 0.609 176.047 175.510 -0.120 0.000 1.326 292 N CA 0.403 53.374 53.050 -0.131 0.000 0.867 292 N CB 0.888 39.305 38.487 -0.118 0.000 1.174 292 N HN 0.079 nan 8.380 nan 0.000 0.506 293 G N 0.907 109.625 108.800 -0.136 0.000 2.189 293 G HA2 -0.403 3.461 3.960 -0.161 0.000 0.267 293 G HA3 -0.403 3.461 3.960 -0.161 0.000 0.267 293 G C 0.058 174.915 174.900 -0.071 0.000 0.975 293 G CA 0.321 45.363 45.100 -0.097 0.000 0.644 293 G HN 0.655 nan 8.290 nan 0.000 0.537 294 R N -0.145 120.298 120.500 -0.095 0.000 2.537 294 R HA 0.281 4.525 4.340 -0.161 0.000 0.281 294 R C -0.214 176.171 176.300 0.142 0.000 0.988 294 R CA -0.025 56.079 56.100 0.006 0.000 1.077 294 R CB 0.056 30.360 30.300 0.006 0.000 0.932 294 R HN 0.382 nan 8.270 nan 0.000 0.409 295 L N 6.161 127.482 121.223 0.163 0.000 2.313 295 L HA 0.490 4.733 4.340 -0.161 0.000 0.283 295 L C -1.080 175.963 176.870 0.288 0.000 1.013 295 L CA -0.291 54.678 54.840 0.215 0.000 0.816 295 L CB 1.506 43.610 42.059 0.076 0.000 1.236 295 L HN 0.596 nan 8.230 nan 0.000 0.419 296 I N 4.988 125.777 120.570 0.365 0.000 2.498 296 I HA 0.390 4.463 4.170 -0.161 0.000 0.290 296 I C -0.697 175.576 176.117 0.261 0.000 1.032 296 I CA -0.720 60.737 61.300 0.262 0.000 1.073 296 I CB 2.209 40.290 38.000 0.135 0.000 1.251 296 I HN 0.238 nan 8.210 nan 0.000 0.426 297 V N 6.665 126.664 119.914 0.142 0.000 2.530 297 V HA 0.175 4.198 4.120 -0.161 0.000 0.282 297 V C 0.992 177.079 176.094 -0.012 0.000 1.048 297 V CA -0.181 62.094 62.300 -0.043 0.000 0.997 297 V CB 1.113 32.933 31.823 -0.005 0.000 0.987 297 V HN 0.580 nan 8.190 nan 0.000 0.477 298 I N 2.792 123.282 120.570 -0.134 0.000 2.512 298 I HA 0.217 4.290 4.170 -0.161 0.000 0.247 298 I C 0.970 176.955 176.117 -0.219 0.000 1.094 298 I CA 0.983 62.206 61.300 -0.128 0.000 1.427 298 I CB -0.319 37.592 38.000 -0.148 0.000 1.149 298 I HN 0.996 nan 8.210 nan 0.000 0.438 299 E N 0.758 120.748 120.200 -0.349 0.000 2.429 299 E HA 0.474 4.727 4.350 -0.161 0.000 0.277 299 E C -0.908 175.366 176.600 -0.544 0.000 1.130 299 E CA -0.899 55.082 56.400 -0.699 0.000 0.875 299 E CB 1.612 30.989 29.700 -0.537 0.000 1.443 299 E HN 0.041 nan 8.360 nan 0.000 0.444 300 M N 0.982 120.201 119.600 -0.636 0.000 2.371 300 M HA 0.599 4.982 4.480 -0.161 0.000 0.287 300 M C -2.164 173.994 176.300 -0.237 0.000 1.149 300 M CA -0.456 54.672 55.300 -0.286 0.000 0.929 300 M CB 2.503 35.073 32.600 -0.051 0.000 1.683 300 M HN 0.379 nan 8.290 nan 0.000 0.470 301 N N 4.334 122.956 118.700 -0.130 0.000 2.446 301 N HA 0.428 5.071 4.740 -0.161 0.000 0.265 301 N C -2.638 172.849 175.510 -0.038 0.000 0.975 301 N CA -1.250 51.746 53.050 -0.090 0.000 0.928 301 N CB 1.837 40.295 38.487 -0.048 0.000 1.160 301 N HN 0.519 nan 8.380 nan 0.000 0.495 302 P HA 0.111 nan 4.420 nan 0.000 0.225 302 P C -0.667 176.640 177.300 0.011 0.000 1.768 302 P CA 0.148 63.244 63.100 -0.007 0.000 0.943 302 P CB -0.234 31.459 31.700 -0.012 0.000 1.936 303 R N -2.174 118.344 120.500 0.029 0.000 2.979 303 R HA 0.378 4.621 4.340 -0.161 0.000 0.286 303 R C -0.776 175.581 176.300 0.094 0.000 0.972 303 R CA -1.133 55.002 56.100 0.058 0.000 0.828 303 R CB -0.259 30.073 30.300 0.054 0.000 1.368 303 R HN -0.157 nan 8.270 nan 0.000 0.511 304 V N -0.265 119.729 119.914 0.134 0.000 2.963 304 V HA 0.623 4.646 4.120 -0.161 0.000 0.306 304 V C 0.155 176.394 176.094 0.242 0.000 1.077 304 V CA 0.281 62.678 62.300 0.163 0.000 1.124 304 V CB 0.931 32.857 31.823 0.171 0.000 0.987 304 V HN 0.955 nan 8.190 nan 0.000 0.487 305 S N 2.712 118.502 115.700 0.150 0.000 2.851 305 S HA 0.520 4.893 4.470 -0.161 0.000 0.313 305 S C 0.750 175.314 174.600 -0.059 0.000 1.163 305 S CA -0.516 57.757 58.200 0.121 0.000 0.850 305 S CB 1.639 64.895 63.200 0.093 0.000 1.245 305 S HN 1.019 nan 8.310 nan 0.000 0.558 306 R N 0.309 120.771 120.500 -0.064 0.000 2.148 306 R HA 0.064 4.307 4.340 -0.161 0.000 0.223 306 R C 1.358 177.635 176.300 -0.038 0.000 1.088 306 R CA 1.672 57.704 56.100 -0.113 0.000 0.985 306 R CB -0.805 29.449 30.300 -0.075 0.000 0.880 306 R HN 0.443 nan 8.270 nan 0.000 0.451 307 S N 1.342 117.046 115.700 0.006 0.000 2.395 307 S HA -0.124 4.249 4.470 -0.161 0.000 0.225 307 S C 2.024 176.644 174.600 0.034 0.000 1.027 307 S CA 1.232 59.447 58.200 0.024 0.000 0.965 307 S CB -0.016 63.206 63.200 0.036 0.000 0.812 307 S HN 0.639 nan 8.310 nan 0.000 0.482 308 S N 2.461 118.186 115.700 0.042 0.000 2.399 308 S HA -0.040 4.334 4.470 -0.161 0.000 0.231 308 S C 1.967 176.633 174.600 0.110 0.000 1.022 308 S CA 0.981 59.224 58.200 0.072 0.000 0.983 308 S CB -0.472 62.777 63.200 0.081 0.000 0.803 308 S HN 0.475 nan 8.310 nan 0.000 0.480 309 A N 2.052 124.919 122.820 0.079 0.000 1.855 309 A HA 0.117 4.340 4.320 -0.161 0.000 0.215 309 A C 2.271 179.870 177.584 0.025 0.000 1.191 309 A CA 1.541 53.635 52.037 0.096 0.000 0.613 309 A CB -1.084 17.907 19.000 -0.015 0.000 0.829 309 A HN 0.625 nan 8.150 nan 0.000 0.442 310 L N -0.020 121.206 121.223 0.004 0.000 2.012 310 L HA -0.114 4.129 4.340 -0.161 0.000 0.210 310 L C 2.596 179.486 176.870 0.033 0.000 1.073 310 L CA 2.511 57.353 54.840 0.004 0.000 0.748 310 L CB -0.763 41.301 42.059 0.009 0.000 0.891 310 L HN 0.336 nan 8.230 nan 0.000 0.431 311 A N -1.430 121.422 122.820 0.054 0.000 1.972 311 A HA -0.182 4.041 4.320 -0.161 0.000 0.219 311 A C 2.378 180.031 177.584 0.113 0.000 1.169 311 A CA 1.956 54.032 52.037 0.066 0.000 0.635 311 A CB -0.912 18.114 19.000 0.045 0.000 0.810 311 A HN 0.576 nan 8.150 nan 0.000 0.446 312 S N -0.326 115.470 115.700 0.160 0.000 2.368 312 S HA -0.093 4.280 4.470 -0.161 0.000 0.224 312 S C 1.988 176.748 174.600 0.267 0.000 1.029 312 S CA 1.337 59.697 58.200 0.266 0.000 0.988 312 S CB -0.128 63.292 63.200 0.367 0.000 0.838 312 S HN 0.472 nan 8.310 nan 0.000 0.462 313 K N 1.773 122.266 120.400 0.155 0.000 2.167 313 K HA 0.244 4.467 4.320 -0.161 0.000 0.203 313 K C 2.180 178.828 176.600 0.081 0.000 1.052 313 K CA 0.985 57.350 56.287 0.131 0.000 0.956 313 K CB -0.841 31.632 32.500 -0.045 0.000 0.735 313 K HN 0.327 nan 8.250 nan 0.000 0.451 314 A N 1.134 123.980 122.820 0.043 0.000 1.898 314 A HA -0.146 4.077 4.320 -0.161 0.000 0.216 314 A C 2.281 179.957 177.584 0.153 0.000 1.181 314 A CA 2.532 54.597 52.037 0.047 0.000 0.620 314 A CB -0.793 18.241 19.000 0.056 0.000 0.819 314 A HN 0.473 nan 8.150 nan 0.000 0.442 315 T N -5.296 109.358 114.554 0.166 0.000 3.040 315 T HA 0.403 4.656 4.350 -0.161 0.000 0.252 315 T C 1.477 176.329 174.700 0.254 0.000 1.064 315 T CA 1.192 63.404 62.100 0.187 0.000 1.110 315 T CB 0.144 69.104 68.868 0.152 0.000 0.921 315 T HN 1.755 nan 8.240 nan 0.000 0.480 316 G N 1.102 110.095 108.800 0.322 0.000 2.141 316 G HA2 -0.202 3.661 3.960 -0.161 0.000 0.242 316 G HA3 -0.202 3.661 3.960 -0.161 0.000 0.242 316 G C -0.229 174.902 174.900 0.385 0.000 0.982 316 G CA -0.021 45.305 45.100 0.376 0.000 0.662 316 G HN 0.629 nan 8.290 nan 0.000 0.527 317 F N 3.317 123.406 119.950 0.231 0.000 2.350 317 F HA 0.590 5.020 4.527 -0.162 0.000 0.365 317 F C -1.901 174.032 175.800 0.222 0.000 1.122 317 F CA -3.438 54.682 58.000 0.200 0.000 1.139 317 F CB 1.528 40.580 39.000 0.086 0.000 1.220 317 F HN -0.067 nan 8.300 nan 0.000 0.499 318 P HA 0.085 nan 4.420 nan 0.000 0.241 318 P C 1.295 178.762 177.300 0.278 0.000 1.760 318 P CA 0.416 63.689 63.100 0.289 0.000 1.081 318 P CB -0.282 31.526 31.700 0.181 0.000 1.975 319 I N 1.559 122.376 120.570 0.412 0.000 2.068 319 I HA -0.369 3.704 4.170 -0.161 0.000 0.238 319 I C 2.357 178.582 176.117 0.180 0.000 1.046 319 I CA 2.137 63.639 61.300 0.338 0.000 1.306 319 I CB -1.095 37.044 38.000 0.231 0.000 1.023 319 I HN 0.172 nan 8.210 nan 0.000 0.399 320 A N 0.280 123.155 122.820 0.092 0.000 1.908 320 A HA -0.259 3.964 4.320 -0.161 0.000 0.218 320 A C 2.366 179.949 177.584 -0.001 0.000 1.181 320 A CA 1.963 54.015 52.037 0.024 0.000 0.627 320 A CB -0.600 18.382 19.000 -0.031 0.000 0.818 320 A HN 0.365 nan 8.150 nan 0.000 0.445 321 K N -0.559 119.824 120.400 -0.028 0.000 2.032 321 K HA -0.127 4.097 4.320 -0.161 0.000 0.209 321 K C 1.904 178.497 176.600 -0.012 0.000 1.048 321 K CA 1.712 57.974 56.287 -0.041 0.000 0.927 321 K CB -0.305 32.164 32.500 -0.050 0.000 0.712 321 K HN 0.310 nan 8.250 nan 0.000 0.441 322 V N 0.794 120.730 119.914 0.037 0.000 2.244 322 V HA -0.239 3.784 4.120 -0.161 0.000 0.244 322 V C 2.271 178.412 176.094 0.079 0.000 1.042 322 V CA 2.022 64.358 62.300 0.061 0.000 1.006 322 V CB -0.770 31.148 31.823 0.158 0.000 0.641 322 V HN 0.436 nan 8.190 nan 0.000 0.446 323 A N -0.075 122.807 122.820 0.103 0.000 2.032 323 A HA -0.201 4.022 4.320 -0.161 0.000 0.221 323 A C 2.357 179.971 177.584 0.050 0.000 1.165 323 A CA 2.312 54.400 52.037 0.084 0.000 0.645 323 A CB -0.743 18.306 19.000 0.082 0.000 0.807 323 A HN 0.615 nan 8.150 nan 0.000 0.453 324 A N 0.083 122.918 122.820 0.025 0.000 1.835 324 A HA -0.166 4.057 4.320 -0.161 0.000 0.215 324 A C 2.079 179.664 177.584 0.003 0.000 1.199 324 A CA 1.762 53.796 52.037 -0.005 0.000 0.615 324 A CB -0.556 18.426 19.000 -0.029 0.000 0.838 324 A HN 0.533 nan 8.150 nan 0.000 0.444 325 K N -0.774 119.632 120.400 0.009 0.000 2.074 325 K HA -0.173 4.050 4.320 -0.161 0.000 0.209 325 K C 1.752 178.474 176.600 0.202 0.000 1.048 325 K CA 1.454 57.783 56.287 0.069 0.000 0.926 325 K CB -0.453 31.970 32.500 -0.128 0.000 0.713 325 K HN 0.285 nan 8.250 nan 0.000 0.444 326 L N 0.809 122.112 121.223 0.133 0.000 2.131 326 L HA -0.130 4.113 4.340 -0.161 0.000 0.210 326 L C 2.349 179.274 176.870 0.093 0.000 1.092 326 L CA 1.594 56.516 54.840 0.137 0.000 0.759 326 L CB -0.879 41.245 42.059 0.109 0.000 0.903 326 L HN 0.165 nan 8.230 nan 0.000 0.435 327 A N -0.715 122.138 122.820 0.056 0.000 2.070 327 A HA -0.102 4.121 4.320 -0.161 0.000 0.220 327 A C 1.685 179.271 177.584 0.003 0.000 1.159 327 A CA 1.543 53.593 52.037 0.020 0.000 0.656 327 A CB -0.753 18.244 19.000 -0.005 0.000 0.800 327 A HN 0.321 nan 8.150 nan 0.000 0.453 328 V N -4.396 115.528 119.914 0.017 0.000 3.110 328 V HA 0.625 4.648 4.120 -0.161 0.000 0.368 328 V C 1.049 177.154 176.094 0.020 0.000 1.332 328 V CA 0.433 62.729 62.300 -0.007 0.000 1.287 328 V CB -0.900 30.847 31.823 -0.127 0.000 1.277 328 V HN 1.284 nan 8.190 nan 0.000 0.502 329 G N -0.451 108.363 108.800 0.022 0.000 2.234 329 G HA2 -0.292 3.572 3.960 -0.161 0.000 0.235 329 G HA3 -0.292 3.572 3.960 -0.161 0.000 0.235 329 G C -0.070 174.801 174.900 -0.047 0.000 0.997 329 G CA 0.110 45.188 45.100 -0.036 0.000 0.623 329 G HN 0.581 nan 8.290 nan 0.000 0.514 330 Y N 2.560 122.889 120.300 0.049 0.000 2.578 330 Y HA 0.418 4.871 4.550 -0.161 0.000 0.339 330 Y C 1.510 177.440 175.900 0.050 0.000 1.231 330 Y CA 1.027 59.158 58.100 0.052 0.000 1.461 330 Y CB 0.739 39.232 38.460 0.055 0.000 1.323 330 Y HN 0.272 nan 8.280 nan 0.000 0.590 331 T N -0.100 114.588 114.554 0.223 0.000 2.918 331 T HA 0.374 4.627 4.350 -0.161 0.000 0.286 331 T C 0.941 175.735 174.700 0.156 0.000 1.026 331 T CA -0.983 61.208 62.100 0.151 0.000 1.031 331 T CB 1.226 70.155 68.868 0.102 0.000 1.046 331 T HN 0.633 nan 8.240 nan 0.000 0.479 332 L N 0.918 122.225 121.223 0.140 0.000 2.043 332 L HA -0.166 4.077 4.340 -0.161 0.000 0.212 332 L C 2.442 179.391 176.870 0.132 0.000 1.075 332 L CA 1.829 56.759 54.840 0.151 0.000 0.752 332 L CB -0.620 41.539 42.059 0.167 0.000 0.891 332 L HN 0.804 nan 8.230 nan 0.000 0.432 333 D N -0.554 119.914 120.400 0.113 0.000 2.224 333 D HA -0.194 4.349 4.640 -0.161 0.000 0.205 333 D C 1.636 177.981 176.300 0.077 0.000 0.965 333 D CA 0.981 55.034 54.000 0.088 0.000 0.852 333 D CB -0.396 40.449 40.800 0.075 0.000 0.947 333 D HN 0.425 nan 8.370 nan 0.000 0.494 334 E N -0.139 120.123 120.200 0.102 0.000 2.358 334 E HA 0.093 4.346 4.350 -0.161 0.000 0.195 334 E C 0.422 177.080 176.600 0.097 0.000 1.010 334 E CA 0.084 56.555 56.400 0.118 0.000 0.856 334 E CB 0.209 30.031 29.700 0.202 0.000 0.795 334 E HN 0.335 nan 8.360 nan 0.000 0.504 335 L N 1.399 122.665 121.223 0.071 0.000 2.325 335 L HA 0.272 4.515 4.340 -0.161 0.000 0.279 335 L C 0.128 176.988 176.870 -0.017 0.000 1.054 335 L CA -0.727 54.117 54.840 0.005 0.000 0.804 335 L CB 0.882 42.935 42.059 -0.010 0.000 1.200 335 L HN -0.031 nan 8.230 nan 0.000 0.436 336 M N 1.746 121.315 119.600 -0.052 0.000 2.409 336 M HA 0.236 4.619 4.480 -0.161 0.000 0.329 336 M C -0.260 175.980 176.300 -0.100 0.000 1.180 336 M CA -0.758 54.497 55.300 -0.075 0.000 1.053 336 M CB 0.867 33.423 32.600 -0.072 0.000 1.586 336 M HN 0.373 nan 8.290 nan 0.000 0.461 337 N N 1.751 120.369 118.700 -0.136 0.000 2.402 337 N HA 0.056 4.700 4.740 -0.161 0.000 0.252 337 N C 0.431 175.869 175.510 -0.120 0.000 1.118 337 N CA 0.184 53.147 53.050 -0.146 0.000 0.945 337 N CB 0.434 38.798 38.487 -0.204 0.000 1.147 337 N HN 0.385 nan 8.380 nan 0.000 0.495 338 D N 2.546 122.895 120.400 -0.085 0.000 2.204 338 D HA -0.251 4.293 4.640 -0.161 0.000 0.189 338 D C 1.687 177.929 176.300 -0.096 0.000 1.006 338 D CA 1.731 55.710 54.000 -0.035 0.000 0.855 338 D CB -0.083 40.774 40.800 0.095 0.000 0.946 338 D HN 0.789 nan 8.370 nan 0.000 0.448 339 I N -1.039 119.429 120.570 -0.170 0.000 2.928 339 I HA -0.037 4.036 4.170 -0.161 0.000 0.266 339 I C 1.320 177.380 176.117 -0.096 0.000 1.234 339 I CA 1.141 62.329 61.300 -0.186 0.000 1.483 339 I CB -0.553 37.283 38.000 -0.273 0.000 1.097 339 I HN -0.116 nan 8.210 nan 0.000 0.455 340 T N -1.280 113.212 114.554 -0.103 0.000 3.278 340 T HA 0.419 4.672 4.350 -0.161 0.000 0.251 340 T C 1.343 175.986 174.700 -0.094 0.000 1.039 340 T CA 0.155 62.198 62.100 -0.095 0.000 0.935 340 T CB -0.415 68.343 68.868 -0.183 0.000 1.034 340 T HN 0.689 nan 8.240 nan 0.000 0.575 341 G N 0.803 109.558 108.800 -0.075 0.000 2.273 341 G HA2 0.071 3.934 3.960 -0.161 0.000 0.280 341 G HA3 0.071 3.934 3.960 -0.161 0.000 0.280 341 G C 1.109 175.966 174.900 -0.071 0.000 1.047 341 G CA 0.168 45.235 45.100 -0.055 0.000 0.869 341 G HN 1.707 nan 8.290 nan 0.000 0.502 342 G N -1.056 107.687 108.800 -0.095 0.000 2.196 342 G HA2 -0.411 3.452 3.960 -0.161 0.000 0.268 342 G HA3 -0.411 3.452 3.960 -0.161 0.000 0.268 342 G C 1.384 176.205 174.900 -0.133 0.000 0.975 342 G CA 1.456 46.495 45.100 -0.101 0.000 0.648 342 G HN 1.000 nan 8.290 nan 0.000 0.538 343 R N 0.387 120.790 120.500 -0.162 0.000 2.094 343 R HA 0.020 4.264 4.340 -0.161 0.000 0.239 343 R C 2.043 178.176 176.300 -0.279 0.000 1.137 343 R CA 1.881 57.864 56.100 -0.195 0.000 0.943 343 R CB -0.451 29.724 30.300 -0.208 0.000 0.850 343 R HN 0.675 nan 8.270 nan 0.000 0.433 344 T N -0.696 113.615 114.554 -0.405 0.000 2.929 344 T HA 0.426 4.680 4.350 -0.161 0.000 0.284 344 T C -2.498 172.014 174.700 -0.314 0.000 1.014 344 T CA -2.486 59.329 62.100 -0.476 0.000 1.051 344 T CB 2.157 70.508 68.868 -0.863 0.000 1.028 344 T HN -0.151 nan 8.240 nan 0.000 0.485 345 P HA 0.313 nan 4.420 nan 0.000 0.286 345 P C 0.316 177.613 177.300 -0.004 0.000 1.293 345 P CA -0.381 62.672 63.100 -0.079 0.000 0.770 345 P CB 0.385 32.082 31.700 -0.005 0.000 1.206 346 A N -0.362 122.527 122.820 0.115 0.000 2.147 346 A HA 0.050 4.273 4.320 -0.161 0.000 0.211 346 A C 1.146 179.018 177.584 0.480 0.000 1.160 346 A CA 0.442 52.628 52.037 0.249 0.000 0.781 346 A CB -1.165 17.894 19.000 0.098 0.000 0.842 346 A HN 0.553 nan 8.150 nan 0.000 0.475 347 S N 1.149 117.051 115.700 0.336 0.000 4.120 347 S HA 0.479 4.852 4.470 -0.161 0.000 0.215 347 S C -0.364 174.481 174.600 0.409 0.000 1.347 347 S CA -0.368 58.013 58.200 0.302 0.000 0.889 347 S CB -1.448 61.862 63.200 0.184 0.000 1.585 347 S HN 0.839 nan 8.310 nan 0.000 0.447 348 F N -1.922 118.136 119.950 0.179 0.000 2.741 348 F HA 0.632 5.062 4.527 -0.161 0.000 0.311 348 F C -1.353 174.537 175.800 0.150 0.000 1.149 348 F CA -1.523 56.565 58.000 0.145 0.000 0.930 348 F CB 0.751 39.828 39.000 0.128 0.000 1.312 348 F HN 0.154 nan 8.300 nan 0.000 0.450 349 E N 3.111 123.193 120.200 -0.196 0.000 2.134 349 E HA 0.410 4.663 4.350 -0.161 0.000 0.278 349 E C -2.568 173.855 176.600 -0.295 0.000 0.959 349 E CA -1.905 54.309 56.400 -0.310 0.000 0.783 349 E CB 1.338 30.985 29.700 -0.088 0.000 1.095 349 E HN 0.316 nan 8.360 nan 0.000 0.399 350 P HA -0.005 nan 4.420 nan 0.000 0.269 350 P C -0.762 176.540 177.300 0.003 0.000 1.215 350 P CA -0.146 62.899 63.100 -0.091 0.000 0.780 350 P CB 0.827 32.488 31.700 -0.065 0.000 0.898 351 S N 1.638 117.378 115.700 0.067 0.000 2.571 351 S HA 0.731 5.104 4.470 -0.161 0.000 0.284 351 S C -0.700 173.856 174.600 -0.074 0.000 1.128 351 S CA -0.770 57.422 58.200 -0.015 0.000 0.970 351 S CB 0.011 63.215 63.200 0.006 0.000 1.039 351 S HN 0.353 nan 8.310 nan 0.000 0.485 352 I N 1.322 121.766 120.570 -0.211 0.000 2.740 352 I HA 0.707 4.780 4.170 -0.161 0.000 0.303 352 I C -0.859 174.983 176.117 -0.457 0.000 1.044 352 I CA -0.966 60.050 61.300 -0.472 0.000 1.064 352 I CB 2.247 39.752 38.000 -0.826 0.000 1.249 352 I HN 0.504 nan 8.210 nan 0.000 0.433 353 D N 3.735 123.830 120.400 -0.508 0.000 3.035 353 D HA 0.288 4.831 4.640 -0.161 0.000 0.290 353 D C -0.710 175.558 176.300 -0.053 0.000 1.360 353 D CA -0.151 53.738 54.000 -0.186 0.000 0.862 353 D CB -0.308 40.493 40.800 0.002 0.000 1.078 353 D HN 0.681 nan 8.370 nan 0.000 0.487 354 Y N -3.450 116.851 120.300 0.003 0.000 2.788 354 Y HA 0.636 5.089 4.550 -0.161 0.000 0.335 354 Y C -1.687 174.191 175.900 -0.037 0.000 1.287 354 Y CA -1.782 56.297 58.100 -0.035 0.000 1.068 354 Y CB 0.644 38.994 38.460 -0.184 0.000 1.340 354 Y HN -0.217 nan 8.280 nan 0.000 0.449 355 V N 2.223 122.283 119.914 0.244 0.000 2.409 355 V HA 0.589 4.612 4.120 -0.161 0.000 0.291 355 V C -0.711 175.475 176.094 0.152 0.000 1.020 355 V CA -0.839 61.573 62.300 0.188 0.000 0.848 355 V CB 1.387 33.326 31.823 0.194 0.000 0.990 355 V HN 0.671 nan 8.190 nan 0.000 0.430 356 V N 4.178 124.180 119.914 0.148 0.000 2.407 356 V HA 0.518 4.542 4.120 -0.161 0.000 0.278 356 V C 0.325 176.463 176.094 0.075 0.000 1.037 356 V CA -0.197 62.143 62.300 0.067 0.000 0.900 356 V CB 1.711 33.570 31.823 0.060 0.000 0.983 356 V HN 0.918 nan 8.190 nan 0.000 0.459 357 T N 5.348 119.928 114.554 0.044 0.000 2.807 357 T HA 0.438 4.691 4.350 -0.161 0.000 0.279 357 T C -0.446 174.262 174.700 0.014 0.000 0.993 357 T CA -0.669 61.453 62.100 0.038 0.000 0.970 357 T CB 1.473 70.352 68.868 0.018 0.000 0.950 357 T HN 0.695 nan 8.240 nan 0.000 0.441 358 K N 4.024 124.426 120.400 0.003 0.000 2.270 358 K HA 0.601 4.824 4.320 -0.161 0.000 0.255 358 K C -1.422 175.159 176.600 -0.032 0.000 0.936 358 K CA -0.695 55.592 56.287 -0.000 0.000 0.809 358 K CB 1.155 33.663 32.500 0.014 0.000 1.131 358 K HN 0.612 nan 8.250 nan 0.000 0.427 359 I N 5.364 125.916 120.570 -0.030 0.000 2.466 359 I HA 0.335 4.408 4.170 -0.161 0.000 0.289 359 I C -2.292 173.804 176.117 -0.035 0.000 1.026 359 I CA -2.672 58.604 61.300 -0.039 0.000 1.078 359 I CB 2.174 40.141 38.000 -0.056 0.000 1.249 359 I HN 0.478 nan 8.210 nan 0.000 0.429 360 P HA 0.257 nan 4.420 nan 0.000 0.277 360 P C -0.997 176.134 177.300 -0.282 0.000 1.240 360 P CA -0.595 62.373 63.100 -0.221 0.000 0.798 360 P CB 0.941 32.426 31.700 -0.360 0.000 0.979 361 R N 1.703 121.974 120.500 -0.381 0.000 2.445 361 R HA 0.625 4.868 4.340 -0.161 0.000 0.308 361 R C -1.147 174.903 176.300 -0.417 0.000 0.961 361 R CA -0.408 55.553 56.100 -0.233 0.000 0.862 361 R CB -0.079 30.160 30.300 -0.101 0.000 1.144 361 R HN 0.296 nan 8.270 nan 0.000 0.447 362 F N 1.453 121.412 119.950 0.015 0.000 2.631 362 F HA 0.484 4.908 4.527 -0.172 0.000 0.350 362 F C 0.763 176.513 175.800 -0.083 0.000 1.080 362 F CA -0.765 57.185 58.000 -0.084 0.000 1.026 362 F CB 1.719 40.667 39.000 -0.085 0.000 1.347 362 F HN 0.553 nan 8.300 nan 0.000 0.501 363 N N -0.659 118.063 118.700 0.036 0.000 2.527 363 N HA 0.178 4.821 4.740 -0.161 0.000 0.279 363 N C 0.245 175.789 175.510 0.057 0.000 1.571 363 N CA 0.040 53.123 53.050 0.054 0.000 0.858 363 N CB 0.188 38.737 38.487 0.103 0.000 1.422 363 N HN 0.345 nan 8.380 nan 0.000 0.491 364 F N 1.858 121.906 119.950 0.162 0.000 2.250 364 F HA -0.195 4.224 4.527 -0.181 0.000 0.301 364 F C 2.734 178.534 175.800 0.001 0.000 1.077 364 F CA 1.069 59.111 58.000 0.070 0.000 1.348 364 F CB 0.021 39.032 39.000 0.017 0.000 1.040 364 F HN 0.336 nan 8.300 nan 0.000 0.509 365 E N 1.118 121.402 120.200 0.141 0.000 2.265 365 E HA -0.213 4.040 4.350 -0.161 0.000 0.196 365 E C 1.420 177.961 176.600 -0.098 0.000 0.996 365 E CA 1.203 57.619 56.400 0.027 0.000 0.832 365 E CB -0.580 29.123 29.700 0.005 0.000 0.756 365 E HN 0.416 nan 8.360 nan 0.000 0.491 366 K N -0.184 120.068 120.400 -0.246 0.000 2.400 366 K HA 0.095 4.318 4.320 -0.161 0.000 0.194 366 K C -0.162 175.865 176.600 -0.955 0.000 1.033 366 K CA 0.265 56.188 56.287 -0.608 0.000 1.021 366 K CB 0.185 32.217 32.500 -0.781 0.000 0.808 366 K HN 0.072 nan 8.250 nan 0.000 0.505 367 F N -0.002 119.890 119.950 -0.097 0.000 2.550 367 F HA 0.333 4.859 4.527 -0.002 0.000 0.348 367 F C 0.978 176.756 175.800 -0.036 0.000 1.219 367 F CA -0.842 57.084 58.000 -0.122 0.000 1.203 367 F CB 0.761 39.471 39.000 -0.484 0.000 1.436 367 F HN -0.143 nan 8.300 nan 0.000 0.541 368 A N 1.804 124.667 122.820 0.072 0.000 1.851 368 A HA -0.063 4.160 4.320 -0.161 0.000 0.216 368 A C 2.467 180.098 177.584 0.078 0.000 1.195 368 A CA 2.040 54.116 52.037 0.066 0.000 0.622 368 A CB -1.211 17.819 19.000 0.050 0.000 0.831 368 A HN 0.741 nan 8.150 nan 0.000 0.444 369 G N -0.518 108.338 108.800 0.094 0.000 2.470 369 G HA2 0.224 4.087 3.960 -0.161 0.000 0.220 369 G HA3 0.224 4.087 3.960 -0.161 0.000 0.220 369 G C 0.789 175.750 174.900 0.101 0.000 1.121 369 G CA 0.892 46.043 45.100 0.084 0.000 0.766 369 G HN 0.930 nan 8.290 nan 0.000 0.553 370 A N 0.386 123.294 122.820 0.147 0.000 2.462 370 A HA 0.349 4.572 4.320 -0.161 0.000 0.243 370 A C 0.617 178.268 177.584 0.111 0.000 1.076 370 A CA -0.497 51.652 52.037 0.186 0.000 0.773 370 A CB 0.198 19.338 19.000 0.233 0.000 1.010 370 A HN 0.272 nan 8.150 nan 0.000 0.493 371 N N 1.496 120.271 118.700 0.125 0.000 2.438 371 N HA -0.024 4.619 4.740 -0.161 0.000 0.267 371 N C -0.416 175.046 175.510 -0.080 0.000 1.222 371 N CA 0.305 53.370 53.050 0.026 0.000 0.930 371 N CB 0.738 39.259 38.487 0.057 0.000 1.083 371 N HN 0.609 nan 8.380 nan 0.000 0.476 372 D N 2.275 122.449 120.400 -0.377 0.000 2.427 372 D HA 0.094 4.637 4.640 -0.161 0.000 0.224 372 D C -0.097 175.781 176.300 -0.704 0.000 1.157 372 D CA -0.216 53.146 54.000 -1.063 0.000 0.828 372 D CB 0.184 40.248 40.800 -1.228 0.000 0.974 372 D HN 0.182 nan 8.370 nan 0.000 0.498 373 R N 0.551 120.880 120.500 -0.285 0.000 2.457 373 R HA 0.460 4.703 4.340 -0.161 0.000 0.284 373 R C 0.247 176.530 176.300 -0.027 0.000 1.024 373 R CA -0.725 55.287 56.100 -0.147 0.000 1.025 373 R CB 1.220 31.479 30.300 -0.068 0.000 1.063 373 R HN 0.176 nan 8.270 nan 0.000 0.493 374 L N 0.739 121.969 121.223 0.012 0.000 2.371 374 L HA 0.384 4.627 4.340 -0.161 0.000 0.272 374 L C 1.158 178.103 176.870 0.125 0.000 1.124 374 L CA -0.070 54.835 54.840 0.109 0.000 0.816 374 L CB 0.989 43.130 42.059 0.138 0.000 1.129 374 L HN 0.606 nan 8.230 nan 0.000 0.448 375 T N -1.340 113.306 114.554 0.152 0.000 2.572 375 T HA 0.185 4.438 4.350 -0.161 0.000 0.274 375 T C 0.958 175.743 174.700 0.141 0.000 0.949 375 T CA 0.363 62.539 62.100 0.128 0.000 1.126 375 T CB 1.244 70.174 68.868 0.104 0.000 1.478 375 T HN 0.744 nan 8.240 nan 0.000 0.492 376 T N -0.527 114.089 114.554 0.103 0.000 3.118 376 T HA 0.169 4.422 4.350 -0.161 0.000 0.260 376 T C 0.692 175.501 174.700 0.182 0.000 1.139 376 T CA 0.506 62.683 62.100 0.129 0.000 1.085 376 T CB -0.118 68.781 68.868 0.052 0.000 0.934 376 T HN 0.476 nan 8.240 nan 0.000 0.518 377 Q N 0.944 120.799 119.800 0.092 0.000 2.325 377 Q HA 0.427 4.670 4.340 -0.161 0.000 0.262 377 Q C -0.597 175.379 176.000 -0.040 0.000 0.968 377 Q CA -0.592 55.209 55.803 -0.004 0.000 0.877 377 Q CB 1.117 29.834 28.738 -0.035 0.000 1.253 377 Q HN 0.412 nan 8.270 nan 0.000 0.448 378 M N 3.221 122.679 119.600 -0.236 0.000 2.252 378 M HA -0.011 4.372 4.480 -0.161 0.000 0.333 378 M C 0.493 176.753 176.300 -0.067 0.000 1.111 378 M CA 1.275 56.464 55.300 -0.185 0.000 1.140 378 M CB 0.493 32.876 32.600 -0.362 0.000 1.538 378 M HN 0.574 nan 8.290 nan 0.000 0.448 379 K N 0.008 120.467 120.400 0.098 0.000 2.558 379 K HA 0.110 4.334 4.320 -0.161 0.000 0.215 379 K C 0.120 176.803 176.600 0.138 0.000 1.298 379 K CA -0.066 56.311 56.287 0.150 0.000 1.008 379 K CB 0.838 33.607 32.500 0.449 0.000 1.073 379 K HN 0.778 nan 8.250 nan 0.000 0.606 380 S N 0.533 116.231 115.700 -0.004 0.000 2.585 380 S HA 0.108 4.481 4.470 -0.161 0.000 0.273 380 S C 1.268 175.734 174.600 -0.223 0.000 1.339 380 S CA -0.587 57.379 58.200 -0.390 0.000 1.028 380 S CB 1.491 64.191 63.200 -0.833 0.000 0.906 380 S HN 0.047 nan 8.310 nan 0.000 0.528 381 V N -0.815 118.969 119.914 -0.215 0.000 3.263 381 V HA 0.595 4.619 4.120 -0.161 0.000 0.248 381 V C 0.850 176.877 176.094 -0.110 0.000 1.145 381 V CA 0.846 63.079 62.300 -0.112 0.000 1.107 381 V CB -0.824 30.971 31.823 -0.046 0.000 0.797 381 V HN 1.092 nan 8.190 nan 0.000 0.467 382 G N 0.474 109.179 108.800 -0.158 0.000 2.815 382 G HA2 0.731 4.595 3.960 -0.161 0.000 0.305 382 G HA3 0.731 4.595 3.960 -0.161 0.000 0.305 382 G C -1.608 173.208 174.900 -0.140 0.000 1.277 382 G CA -0.125 44.906 45.100 -0.116 0.000 0.795 382 G HN 0.693 nan 8.290 nan 0.000 0.528 383 E N -2.061 118.088 120.200 -0.086 0.000 2.380 383 E HA 0.545 4.798 4.350 -0.161 0.000 0.281 383 E C -1.972 174.616 176.600 -0.020 0.000 0.999 383 E CA -0.901 55.459 56.400 -0.066 0.000 0.800 383 E CB 2.208 31.873 29.700 -0.058 0.000 1.228 383 E HN 0.692 nan 8.360 nan 0.000 0.436 384 V N 2.701 122.616 119.914 0.000 0.000 2.919 384 V HA 0.759 4.782 4.120 -0.161 0.000 0.316 384 V C -0.969 175.172 176.094 0.079 0.000 1.077 384 V CA -0.795 61.528 62.300 0.039 0.000 0.977 384 V CB 1.896 33.738 31.823 0.031 0.000 1.039 384 V HN 0.860 nan 8.190 nan 0.000 0.441 385 M N 5.150 124.856 119.600 0.177 0.000 2.457 385 M HA 0.864 5.247 4.480 -0.161 0.000 0.300 385 M C -1.218 175.253 176.300 0.285 0.000 1.141 385 M CA -0.431 54.996 55.300 0.211 0.000 0.901 385 M CB 1.941 34.677 32.600 0.227 0.000 1.687 385 M HN 0.859 nan 8.290 nan 0.000 0.449 386 A N 4.712 127.613 122.820 0.136 0.000 2.469 386 A HA 0.883 5.106 4.320 -0.161 0.000 0.299 386 A C -1.538 176.043 177.584 -0.005 0.000 1.098 386 A CA -0.788 51.326 52.037 0.129 0.000 0.737 386 A CB 1.563 20.615 19.000 0.088 0.000 1.312 386 A HN 0.875 nan 8.150 nan 0.000 0.414 387 I N 1.144 121.678 120.570 -0.060 0.000 2.436 387 I HA 0.630 4.703 4.170 -0.161 0.000 0.289 387 I C 0.481 176.450 176.117 -0.247 0.000 1.010 387 I CA -0.438 60.660 61.300 -0.336 0.000 1.098 387 I CB 2.184 39.697 38.000 -0.813 0.000 1.266 387 I HN 0.800 nan 8.210 nan 0.000 0.434 388 G N 4.209 112.902 108.800 -0.178 0.000 2.680 388 G HA2 0.408 4.271 3.960 -0.161 0.000 0.290 388 G HA3 0.408 4.271 3.960 -0.161 0.000 0.290 388 G C 0.133 175.079 174.900 0.075 0.000 1.355 388 G CA -0.461 44.641 45.100 0.004 0.000 0.903 388 G HN 0.450 nan 8.290 nan 0.000 0.474 389 R N -0.899 119.707 120.500 0.176 0.000 2.200 389 R HA 0.092 4.335 4.340 -0.161 0.000 0.208 389 R C 0.966 177.359 176.300 0.155 0.000 1.033 389 R CA 1.208 57.432 56.100 0.207 0.000 1.000 389 R CB -0.026 30.403 30.300 0.214 0.000 0.906 389 R HN 0.715 nan 8.270 nan 0.000 0.462 390 T N -4.195 110.436 114.554 0.128 0.000 2.883 390 T HA 0.196 4.449 4.350 -0.161 0.000 0.296 390 T C 0.685 175.451 174.700 0.110 0.000 1.117 390 T CA -0.854 61.313 62.100 0.112 0.000 1.006 390 T CB 2.278 71.190 68.868 0.073 0.000 1.191 390 T HN -0.219 nan 8.240 nan 0.000 0.508 391 Q N 0.533 120.409 119.800 0.126 0.000 2.096 391 Q HA -0.139 4.105 4.340 -0.161 0.000 0.204 391 Q C 2.202 178.251 176.000 0.081 0.000 0.982 391 Q CA 2.132 58.026 55.803 0.151 0.000 0.850 391 Q CB -0.529 28.320 28.738 0.186 0.000 0.901 391 Q HN 0.812 nan 8.270 nan 0.000 0.422 392 Q N -0.397 119.412 119.800 0.016 0.000 2.119 392 Q HA -0.177 4.066 4.340 -0.161 0.000 0.201 392 Q C 1.985 177.968 176.000 -0.029 0.000 0.972 392 Q CA 1.456 57.246 55.803 -0.022 0.000 0.847 392 Q CB -0.107 28.587 28.738 -0.074 0.000 0.903 392 Q HN 0.559 nan 8.270 nan 0.000 0.433 393 E N 0.145 120.345 120.200 0.000 0.000 2.047 393 E HA -0.173 4.080 4.350 -0.161 0.000 0.191 393 E C 2.064 178.680 176.600 0.027 0.000 0.987 393 E CA 1.123 57.530 56.400 0.012 0.000 0.799 393 E CB -0.034 29.702 29.700 0.061 0.000 0.752 393 E HN 0.127 nan 8.360 nan 0.000 0.449 394 S N 0.016 115.743 115.700 0.045 0.000 2.359 394 S HA -0.178 4.195 4.470 -0.161 0.000 0.224 394 S C 1.930 176.541 174.600 0.018 0.000 1.035 394 S CA 1.300 59.524 58.200 0.040 0.000 1.018 394 S CB -0.344 62.896 63.200 0.067 0.000 0.876 394 S HN 0.355 nan 8.310 nan 0.000 0.448 395 L N 1.722 122.953 121.223 0.013 0.000 2.027 395 L HA -0.009 4.234 4.340 -0.161 0.000 0.206 395 L C 2.431 179.252 176.870 -0.082 0.000 1.074 395 L CA 1.858 56.679 54.840 -0.032 0.000 0.745 395 L CB -0.847 41.218 42.059 0.011 0.000 0.898 395 L HN 0.320 nan 8.230 nan 0.000 0.433 396 Q N -0.430 119.335 119.800 -0.059 0.000 2.119 396 Q HA -0.223 4.020 4.340 -0.161 0.000 0.201 396 Q C 2.241 178.200 176.000 -0.068 0.000 0.972 396 Q CA 1.552 57.294 55.803 -0.100 0.000 0.847 396 Q CB -0.091 28.570 28.738 -0.129 0.000 0.903 396 Q HN 0.573 nan 8.270 nan 0.000 0.433 397 K N 0.394 120.781 120.400 -0.022 0.000 2.057 397 K HA -0.102 4.121 4.320 -0.161 0.000 0.207 397 K C 2.082 178.691 176.600 0.016 0.000 1.049 397 K CA 1.147 57.447 56.287 0.022 0.000 0.931 397 K CB -0.113 32.425 32.500 0.063 0.000 0.714 397 K HN 0.108 nan 8.250 nan 0.000 0.440 398 A N 1.252 124.068 122.820 -0.007 0.000 1.930 398 A HA -0.109 4.114 4.320 -0.161 0.000 0.217 398 A C 2.081 179.642 177.584 -0.038 0.000 1.175 398 A CA 1.106 53.137 52.037 -0.011 0.000 0.627 398 A CB -0.554 18.428 19.000 -0.030 0.000 0.815 398 A HN 0.151 nan 8.150 nan 0.000 0.443 399 L N -0.286 120.875 121.223 -0.103 0.000 2.012 399 L HA -0.244 4.000 4.340 -0.161 0.000 0.210 399 L C 2.825 179.697 176.870 0.003 0.000 1.073 399 L CA 2.012 56.790 54.840 -0.104 0.000 0.748 399 L CB -0.495 41.395 42.059 -0.283 0.000 0.891 399 L HN 0.606 nan 8.230 nan 0.000 0.431 400 R N 0.065 120.560 120.500 -0.009 0.000 2.235 400 R HA -0.021 4.222 4.340 -0.161 0.000 0.213 400 R C 1.833 178.147 176.300 0.023 0.000 1.059 400 R CA 1.144 57.255 56.100 0.019 0.000 0.997 400 R CB -0.601 29.713 30.300 0.023 0.000 0.884 400 R HN 0.235 nan 8.270 nan 0.000 0.462 401 G N 0.707 109.521 108.800 0.024 0.000 3.042 401 G HA2 -0.035 3.829 3.960 -0.161 0.000 0.212 401 G HA3 -0.035 3.829 3.960 -0.161 0.000 0.212 401 G C 1.046 175.957 174.900 0.018 0.000 1.166 401 G CA -0.334 44.779 45.100 0.022 0.000 0.767 401 G HN 0.193 nan 8.290 nan 0.000 0.546 402 L N 0.609 121.852 121.223 0.033 0.000 2.275 402 L HA 0.108 4.351 4.340 -0.161 0.000 0.215 402 L C 1.136 178.026 176.870 0.033 0.000 1.119 402 L CA 0.820 55.688 54.840 0.048 0.000 0.790 402 L CB -0.218 41.904 42.059 0.104 0.000 0.919 402 L HN 0.334 nan 8.230 nan 0.000 0.443 403 E N -0.969 119.241 120.200 0.017 0.000 2.416 403 E HA -0.184 4.069 4.350 -0.161 0.000 0.249 403 E C 0.605 177.201 176.600 -0.007 0.000 1.124 403 E CA 0.802 57.199 56.400 -0.004 0.000 0.732 403 E CB -2.303 27.387 29.700 -0.016 0.000 1.286 403 E HN 0.474 nan 8.360 nan 0.000 0.394 404 V N -4.016 115.894 119.914 -0.007 0.000 3.253 404 V HA 0.594 4.617 4.120 -0.161 0.000 0.320 404 V C 1.249 177.287 176.094 -0.092 0.000 1.442 404 V CA 0.817 63.090 62.300 -0.044 0.000 1.097 404 V CB 0.748 32.541 31.823 -0.049 0.000 1.008 404 V HN 0.626 nan 8.190 nan 0.000 0.463 405 G N 0.185 108.946 108.800 -0.066 0.000 2.175 405 G HA2 -0.040 3.823 3.960 -0.161 0.000 0.244 405 G HA3 -0.040 3.823 3.960 -0.161 0.000 0.244 405 G C 0.378 175.234 174.900 -0.073 0.000 0.982 405 G CA 0.143 45.197 45.100 -0.077 0.000 0.641 405 G HN 1.710 nan 8.290 nan 0.000 0.527 406 A N 0.447 123.236 122.820 -0.052 0.000 2.331 406 A HA 0.750 4.973 4.320 -0.161 0.000 0.283 406 A C 1.330 178.939 177.584 0.042 0.000 1.142 406 A CA 1.128 53.169 52.037 0.006 0.000 0.812 406 A CB 0.642 19.715 19.000 0.122 0.000 1.074 406 A HN 1.431 nan 8.150 nan 0.000 0.497 407 T N -0.590 113.997 114.554 0.056 0.000 3.069 407 T HA 0.523 4.776 4.350 -0.161 0.000 0.252 407 T C 0.905 175.652 174.700 0.080 0.000 1.053 407 T CA 0.924 63.061 62.100 0.061 0.000 0.964 407 T CB -0.233 68.674 68.868 0.066 0.000 1.005 407 T HN 2.194 nan 8.240 nan 0.000 0.532 408 G N 1.381 110.224 108.800 0.072 0.000 2.286 408 G HA2 0.159 4.022 3.960 -0.161 0.000 0.118 408 G HA3 0.159 4.022 3.960 -0.161 0.000 0.118 408 G C -1.230 173.664 174.900 -0.011 0.000 1.267 408 G CA -0.783 44.311 45.100 -0.011 0.000 1.171 408 G HN 0.161 nan 8.290 nan 0.000 0.465 409 F N 3.707 123.763 119.950 0.176 0.000 2.669 409 F HA 0.296 4.728 4.527 -0.159 0.000 0.353 409 F C 0.450 176.417 175.800 0.279 0.000 1.192 409 F CA -0.552 57.582 58.000 0.223 0.000 1.317 409 F CB -0.064 39.006 39.000 0.116 0.000 1.652 409 F HN 0.054 nan 8.300 nan 0.000 0.608 410 D N 3.352 123.987 120.400 0.393 0.000 2.424 410 D HA 0.069 4.612 4.640 -0.161 0.000 0.244 410 D C -2.156 174.257 176.300 0.189 0.000 1.134 410 D CA -0.942 53.183 54.000 0.207 0.000 0.881 410 D CB 0.740 41.571 40.800 0.051 0.000 1.191 410 D HN 0.122 nan 8.370 nan 0.000 0.445 411 P HA 0.128 nan 4.420 nan 0.000 0.271 411 P C 0.231 177.500 177.300 -0.051 0.000 1.218 411 P CA -0.280 62.855 63.100 0.058 0.000 0.780 411 P CB 1.208 32.941 31.700 0.055 0.000 0.901 412 K N 1.066 121.391 120.400 -0.125 0.000 2.329 412 K HA 0.140 4.363 4.320 -0.161 0.000 0.198 412 K C 0.272 176.820 176.600 -0.087 0.000 1.085 412 K CA 0.468 56.613 56.287 -0.236 0.000 0.961 412 K CB 0.380 32.465 32.500 -0.693 0.000 0.971 412 K HN 0.434 nan 8.250 nan 0.000 0.502 413 V N -0.719 119.185 119.914 -0.016 0.000 2.735 413 V HA 0.532 4.555 4.120 -0.161 0.000 0.310 413 V C -0.282 175.838 176.094 0.044 0.000 1.061 413 V CA -1.198 61.136 62.300 0.056 0.000 0.913 413 V CB 1.573 33.476 31.823 0.133 0.000 1.005 413 V HN 0.116 nan 8.190 nan 0.000 0.428 414 S N 3.726 119.449 115.700 0.039 0.000 2.572 414 S HA 0.304 4.677 4.470 -0.161 0.000 0.279 414 S C 0.963 175.588 174.600 0.040 0.000 1.341 414 S CA -0.241 57.980 58.200 0.034 0.000 1.043 414 S CB 0.546 63.761 63.200 0.026 0.000 0.887 414 S HN 0.815 nan 8.310 nan 0.000 0.516 415 L N 2.098 123.344 121.223 0.039 0.000 2.131 415 L HA -0.094 4.149 4.340 -0.161 0.000 0.210 415 L C 1.535 178.426 176.870 0.035 0.000 1.092 415 L CA 1.691 56.556 54.840 0.041 0.000 0.759 415 L CB -0.593 41.489 42.059 0.039 0.000 0.903 415 L HN 0.779 nan 8.230 nan 0.000 0.435 416 D N -2.388 118.030 120.400 0.030 0.000 2.339 416 D HA -0.037 4.506 4.640 -0.161 0.000 0.217 416 D C 0.413 176.728 176.300 0.025 0.000 1.050 416 D CA -0.134 53.881 54.000 0.025 0.000 0.856 416 D CB -0.244 40.569 40.800 0.021 0.000 0.922 416 D HN 0.056 nan 8.370 nan 0.000 0.518 417 D N 1.229 121.647 120.400 0.029 0.000 2.343 417 D HA 0.053 4.596 4.640 -0.161 0.000 0.255 417 D C -1.263 175.054 176.300 0.028 0.000 1.187 417 D CA -2.118 51.899 54.000 0.028 0.000 0.875 417 D CB 1.526 42.347 40.800 0.035 0.000 1.136 417 D HN -0.079 nan 8.370 nan 0.000 0.469 418 P HA -0.028 nan 4.420 nan 0.000 0.225 418 P C 0.450 177.761 177.300 0.018 0.000 1.156 418 P CA 0.796 63.907 63.100 0.019 0.000 0.787 418 P CB 0.415 32.123 31.700 0.014 0.000 0.802 419 E N -0.881 119.330 120.200 0.019 0.000 2.481 419 E HA 0.205 4.458 4.350 -0.161 0.000 0.198 419 E C 1.758 178.372 176.600 0.024 0.000 1.027 419 E CA -0.064 56.346 56.400 0.016 0.000 0.900 419 E CB 0.034 29.739 29.700 0.010 0.000 0.993 419 E HN 0.110 nan 8.360 nan 0.000 0.482 420 A N 1.303 124.144 122.820 0.036 0.000 1.883 420 A HA -0.189 4.034 4.320 -0.161 0.000 0.217 420 A C 2.112 179.727 177.584 0.052 0.000 1.186 420 A CA 1.069 53.139 52.037 0.055 0.000 0.624 420 A CB -0.581 18.457 19.000 0.063 0.000 0.822 420 A HN 0.224 nan 8.150 nan 0.000 0.444 421 L N -0.806 120.440 121.223 0.038 0.000 2.127 421 L HA -0.176 4.067 4.340 -0.161 0.000 0.211 421 L C 2.720 179.598 176.870 0.012 0.000 1.089 421 L CA 1.699 56.557 54.840 0.030 0.000 0.757 421 L CB -0.487 41.587 42.059 0.026 0.000 0.899 421 L HN 0.387 nan 8.230 nan 0.000 0.434 422 T N -0.730 113.826 114.554 0.004 0.000 2.851 422 T HA -0.118 4.135 4.350 -0.161 0.000 0.262 422 T C 1.830 176.508 174.700 -0.038 0.000 1.043 422 T CA 0.985 63.075 62.100 -0.016 0.000 1.140 422 T CB 0.056 68.916 68.868 -0.014 0.000 0.872 422 T HN 0.329 nan 8.240 nan 0.000 0.446 423 K N 0.857 121.240 120.400 -0.028 0.000 2.097 423 K HA 0.025 4.248 4.320 -0.161 0.000 0.206 423 K C 2.123 178.632 176.600 -0.151 0.000 1.049 423 K CA 1.075 57.318 56.287 -0.073 0.000 0.933 423 K CB -0.332 32.164 32.500 -0.007 0.000 0.717 423 K HN 0.309 nan 8.250 nan 0.000 0.442 424 I N 1.154 121.699 120.570 -0.040 0.000 2.142 424 I HA -0.282 3.791 4.170 -0.161 0.000 0.240 424 I C 2.802 178.865 176.117 -0.090 0.000 1.078 424 I CA 1.174 62.465 61.300 -0.015 0.000 1.343 424 I CB -0.232 37.820 38.000 0.086 0.000 1.046 424 I HN 0.161 nan 8.210 nan 0.000 0.405 425 R N 0.861 121.324 120.500 -0.062 0.000 2.127 425 R HA -0.220 4.024 4.340 -0.161 0.000 0.238 425 R C 2.493 178.735 176.300 -0.095 0.000 1.134 425 R CA 1.370 57.433 56.100 -0.062 0.000 0.975 425 R CB -0.232 30.044 30.300 -0.040 0.000 0.865 425 R HN 0.227 nan 8.270 nan 0.000 0.447 426 R N 0.700 121.122 120.500 -0.130 0.000 2.090 426 R HA -0.071 4.172 4.340 -0.161 0.000 0.228 426 R C 1.344 177.533 176.300 -0.184 0.000 1.110 426 R CA 1.264 57.277 56.100 -0.145 0.000 0.973 426 R CB -0.049 30.162 30.300 -0.150 0.000 0.869 426 R HN 0.223 nan 8.270 nan 0.000 0.440 427 E N 0.532 120.560 120.200 -0.286 0.000 2.208 427 E HA -0.095 4.159 4.350 -0.161 0.000 0.193 427 E C 1.902 178.417 176.600 -0.143 0.000 0.988 427 E CA 0.537 56.735 56.400 -0.337 0.000 0.828 427 E CB 0.008 29.184 29.700 -0.873 0.000 0.763 427 E HN 0.186 nan 8.360 nan 0.000 0.478 428 L N 0.799 121.958 121.223 -0.106 0.000 2.127 428 L HA 0.000 4.243 4.340 -0.161 0.000 0.203 428 L C 2.314 179.153 176.870 -0.052 0.000 1.080 428 L CA 1.340 56.154 54.840 -0.044 0.000 0.768 428 L CB -0.321 41.715 42.059 -0.039 0.000 0.924 428 L HN -0.050 nan 8.230 nan 0.000 0.444 429 K N -0.741 119.617 120.400 -0.071 0.000 2.062 429 K HA -0.058 4.165 4.320 -0.161 0.000 0.205 429 K C -0.262 176.299 176.600 -0.064 0.000 1.051 429 K CA 1.031 57.277 56.287 -0.069 0.000 0.941 429 K CB 0.268 32.722 32.500 -0.076 0.000 0.719 429 K HN 0.201 nan 8.250 nan 0.000 0.440 430 D N 0.917 121.272 120.400 -0.076 0.000 2.456 430 D HA 0.172 4.715 4.640 -0.161 0.000 0.287 430 D C -1.100 175.162 176.300 -0.063 0.000 1.186 430 D CA -0.108 53.852 54.000 -0.067 0.000 0.916 430 D CB 1.181 41.928 40.800 -0.090 0.000 1.029 430 D HN 0.202 nan 8.370 nan 0.000 0.498 431 A N 1.149 123.953 122.820 -0.026 0.000 2.565 431 A HA 0.473 4.696 4.320 -0.161 0.000 0.237 431 A C 0.933 178.497 177.584 -0.032 0.000 1.053 431 A CA 0.471 52.506 52.037 -0.004 0.000 0.755 431 A CB 0.427 19.454 19.000 0.045 0.000 0.980 431 A HN 0.466 nan 8.150 nan 0.000 0.506 432 G N -0.728 108.046 108.800 -0.042 0.000 3.108 432 G HA2 0.582 4.445 3.960 -0.161 0.000 0.268 432 G HA3 0.582 4.445 3.960 -0.161 0.000 0.268 432 G C 0.864 175.719 174.900 -0.074 0.000 1.361 432 G CA 0.100 45.131 45.100 -0.115 0.000 1.047 432 G HN 1.337 nan 8.290 nan 0.000 0.540 433 A N -0.777 121.929 122.820 -0.190 0.000 2.070 433 A HA 0.043 4.266 4.320 -0.161 0.000 0.220 433 A C 1.590 179.330 177.584 0.260 0.000 1.159 433 A CA 1.978 53.918 52.037 -0.161 0.000 0.656 433 A CB -0.211 18.576 19.000 -0.356 0.000 0.800 433 A HN 0.409 nan 8.150 nan 0.000 0.453 434 D N -1.116 119.468 120.400 0.307 0.000 2.340 434 D HA 0.013 4.556 4.640 -0.161 0.000 0.220 434 D C 1.741 178.439 176.300 0.663 0.000 1.039 434 D CA 0.159 54.507 54.000 0.580 0.000 0.866 434 D CB -0.224 40.839 40.800 0.438 0.000 0.913 434 D HN 0.516 nan 8.370 nan 0.000 0.523 435 R N 0.573 121.323 120.500 0.416 0.000 2.154 435 R HA -0.196 4.048 4.340 -0.161 0.000 0.248 435 R C 2.008 178.470 176.300 0.270 0.000 1.155 435 R CA 0.982 57.287 56.100 0.342 0.000 0.979 435 R CB -0.343 30.075 30.300 0.196 0.000 0.869 435 R HN 0.167 nan 8.270 nan 0.000 0.452 436 I N 0.020 120.645 120.570 0.091 0.000 2.286 436 I HA -0.252 3.822 4.170 -0.161 0.000 0.248 436 I C 1.576 177.644 176.117 -0.082 0.000 1.115 436 I CA 1.351 62.573 61.300 -0.130 0.000 1.392 436 I CB -0.114 37.566 38.000 -0.533 0.000 1.065 436 I HN 0.291 nan 8.210 nan 0.000 0.418 437 W N -0.636 120.736 121.300 0.120 0.000 2.436 437 W HA -0.170 4.398 4.660 -0.154 0.000 0.284 437 W C 2.336 178.829 176.519 -0.044 0.000 1.225 437 W CA 0.751 58.121 57.345 0.042 0.000 1.271 437 W CB -1.092 28.283 29.460 -0.142 0.000 1.114 437 W HN 0.205 nan 8.180 nan 0.000 0.559 438 Y N 0.292 120.756 120.300 0.273 0.000 2.439 438 Y HA -0.112 4.338 4.550 -0.166 0.000 0.292 438 Y C 2.368 178.278 175.900 0.016 0.000 1.130 438 Y CA 0.963 59.141 58.100 0.129 0.000 1.254 438 Y CB -0.838 37.678 38.460 0.093 0.000 1.000 438 Y HN -0.144 nan 8.280 nan 0.000 0.554 439 I N -0.907 119.739 120.570 0.126 0.000 2.202 439 I HA -0.288 3.785 4.170 -0.161 0.000 0.242 439 I C 2.536 178.475 176.117 -0.297 0.000 1.091 439 I CA 1.151 62.393 61.300 -0.098 0.000 1.368 439 I CB -0.561 37.442 38.000 0.006 0.000 1.058 439 I HN 0.163 nan 8.210 nan 0.000 0.410 440 A N 0.365 123.150 122.820 -0.059 0.000 1.930 440 A HA -0.223 4.000 4.320 -0.161 0.000 0.217 440 A C 1.941 179.531 177.584 0.011 0.000 1.175 440 A CA 1.859 53.882 52.037 -0.023 0.000 0.627 440 A CB -0.542 18.486 19.000 0.047 0.000 0.815 440 A HN 0.314 nan 8.150 nan 0.000 0.443 441 D N 0.137 120.562 120.400 0.041 0.000 2.149 441 D HA -0.078 4.465 4.640 -0.161 0.000 0.198 441 D C 2.216 178.530 176.300 0.024 0.000 0.990 441 D CA 1.446 55.482 54.000 0.059 0.000 0.839 441 D CB -0.345 40.498 40.800 0.072 0.000 0.948 441 D HN 0.417 nan 8.370 nan 0.000 0.460 442 A N 0.250 123.022 122.820 -0.080 0.000 1.902 442 A HA -0.177 4.046 4.320 -0.161 0.000 0.217 442 A C 1.968 179.506 177.584 -0.076 0.000 1.181 442 A CA 1.023 52.983 52.037 -0.128 0.000 0.623 442 A CB -0.859 17.976 19.000 -0.276 0.000 0.818 442 A HN 0.124 nan 8.150 nan 0.000 0.443 443 F N 0.143 120.125 119.950 0.055 0.000 2.134 443 F HA -0.097 4.334 4.527 -0.160 0.000 0.299 443 F C 2.491 178.310 175.800 0.032 0.000 1.097 443 F CA 1.269 59.288 58.000 0.031 0.000 1.264 443 F CB -0.773 38.228 39.000 0.001 0.000 1.001 443 F HN 0.159 nan 8.300 nan 0.000 0.479 444 R N -0.004 120.623 120.500 0.211 0.000 2.120 444 R HA -0.060 4.183 4.340 -0.161 0.000 0.234 444 R C 2.085 178.450 176.300 0.109 0.000 1.123 444 R CA 1.201 57.385 56.100 0.140 0.000 0.975 444 R CB -0.674 29.693 30.300 0.112 0.000 0.866 444 R HN 0.257 nan 8.270 nan 0.000 0.446 445 A N -0.270 122.611 122.820 0.103 0.000 2.238 445 A HA 0.287 4.510 4.320 -0.161 0.000 0.210 445 A C 1.403 179.037 177.584 0.084 0.000 1.179 445 A CA 0.749 52.834 52.037 0.081 0.000 0.827 445 A CB 0.329 19.370 19.000 0.069 0.000 0.856 445 A HN 0.439 nan 8.150 nan 0.000 0.488 446 G N -1.535 107.333 108.800 0.113 0.000 2.192 446 G HA2 -0.137 3.726 3.960 -0.161 0.000 0.193 446 G HA3 -0.137 3.726 3.960 -0.161 0.000 0.193 446 G C 0.070 175.041 174.900 0.118 0.000 0.999 446 G CA -0.024 45.138 45.100 0.103 0.000 0.659 446 G HN 0.317 nan 8.290 nan 0.000 0.503 447 L N 1.934 123.243 121.223 0.143 0.000 2.439 447 L HA 0.606 4.849 4.340 -0.161 0.000 0.261 447 L C 1.351 178.365 176.870 0.238 0.000 1.153 447 L CA 0.003 54.929 54.840 0.144 0.000 0.808 447 L CB 1.368 43.479 42.059 0.087 0.000 1.126 447 L HN 0.427 nan 8.230 nan 0.000 0.460 448 S N 0.296 116.113 115.700 0.196 0.000 2.687 448 S HA 0.279 4.652 4.470 -0.161 0.000 0.283 448 S C 0.968 175.748 174.600 0.299 0.000 1.170 448 S CA -0.936 57.389 58.200 0.210 0.000 1.008 448 S CB 1.746 65.018 63.200 0.120 0.000 1.026 448 S HN 0.316 nan 8.310 nan 0.000 0.541 449 V N 1.412 121.483 119.914 0.262 0.000 2.278 449 V HA -0.221 3.802 4.120 -0.161 0.000 0.251 449 V C 2.153 178.402 176.094 0.258 0.000 1.062 449 V CA 2.497 64.967 62.300 0.283 0.000 1.038 449 V CB -0.898 30.983 31.823 0.097 0.000 0.646 449 V HN 0.883 nan 8.190 nan 0.000 0.447 450 D N 0.233 120.739 120.400 0.177 0.000 2.117 450 D HA -0.114 4.429 4.640 -0.161 0.000 0.197 450 D C 2.179 178.610 176.300 0.219 0.000 0.987 450 D CA 1.644 55.756 54.000 0.187 0.000 0.829 450 D CB -0.602 40.264 40.800 0.111 0.000 0.961 450 D HN 0.510 nan 8.370 nan 0.000 0.460 451 G N 0.825 109.727 108.800 0.169 0.000 2.422 451 G HA2 -0.184 3.679 3.960 -0.161 0.000 0.218 451 G HA3 -0.184 3.679 3.960 -0.161 0.000 0.218 451 G C 1.860 176.835 174.900 0.126 0.000 1.146 451 G CA 0.606 45.785 45.100 0.132 0.000 0.769 451 G HN 0.236 nan 8.290 nan 0.000 0.547 452 V N 0.215 120.229 119.914 0.166 0.000 2.453 452 V HA -0.054 3.970 4.120 -0.161 0.000 0.247 452 V C 2.267 178.433 176.094 0.120 0.000 1.048 452 V CA 1.507 63.873 62.300 0.110 0.000 1.049 452 V CB -0.574 31.306 31.823 0.095 0.000 0.672 452 V HN 0.395 nan 8.190 nan 0.000 0.457 453 F N 1.925 121.921 119.950 0.077 0.000 2.171 453 F HA -0.155 4.276 4.527 -0.161 0.000 0.300 453 F C 2.299 178.125 175.800 0.045 0.000 1.090 453 F CA 1.690 59.726 58.000 0.060 0.000 1.293 453 F CB -0.334 38.707 39.000 0.068 0.000 1.013 453 F HN 0.171 nan 8.300 nan 0.000 0.486 454 N N 0.964 119.690 118.700 0.044 0.000 2.104 454 N HA -0.187 4.456 4.740 -0.161 0.000 0.190 454 N C 2.036 177.459 175.510 -0.145 0.000 1.024 454 N CA 1.814 54.839 53.050 -0.043 0.000 0.853 454 N CB -0.634 37.905 38.487 0.086 0.000 1.008 454 N HN 0.376 nan 8.380 nan 0.000 0.424 455 L N 0.295 121.459 121.223 -0.097 0.000 2.072 455 L HA -0.089 4.154 4.340 -0.161 0.000 0.205 455 L C 2.336 179.129 176.870 -0.129 0.000 1.079 455 L CA 1.524 56.309 54.840 -0.090 0.000 0.752 455 L CB -0.524 41.504 42.059 -0.053 0.000 0.906 455 L HN 0.328 nan 8.230 nan 0.000 0.436 456 T N -5.364 109.087 114.554 -0.171 0.000 3.014 456 T HA 0.094 4.348 4.350 -0.161 0.000 0.250 456 T C 0.904 175.447 174.700 -0.261 0.000 1.060 456 T CA 0.457 62.460 62.100 -0.163 0.000 1.040 456 T CB -0.127 68.681 68.868 -0.101 0.000 0.971 456 T HN 0.355 nan 8.240 nan 0.000 0.497 457 N N 0.351 118.721 118.700 -0.550 0.000 2.815 457 N HA -0.127 4.516 4.740 -0.161 0.000 0.247 457 N C -0.737 174.602 175.510 -0.285 0.000 1.030 457 N CA 0.596 53.265 53.050 -0.635 0.000 0.881 457 N CB -1.617 36.705 38.487 -0.275 0.000 1.134 457 N HN 0.565 nan 8.380 nan 0.000 0.582 458 I N 1.218 121.674 120.570 -0.190 0.000 2.471 458 I HA -0.000 4.073 4.170 -0.161 0.000 0.286 458 I C 0.912 177.195 176.117 0.278 0.000 1.079 458 I CA -0.081 61.163 61.300 -0.093 0.000 1.398 458 I CB 0.377 38.168 38.000 -0.348 0.000 1.403 458 I HN 0.134 nan 8.210 nan 0.000 0.530 459 D N 6.134 126.739 120.400 0.341 0.000 2.583 459 D HA -0.076 4.467 4.640 -0.161 0.000 0.232 459 D C 1.215 177.733 176.300 0.364 0.000 1.128 459 D CA 0.396 54.643 54.000 0.411 0.000 0.859 459 D CB 0.776 41.781 40.800 0.341 0.000 1.169 459 D HN 0.486 nan 8.370 nan 0.000 0.481 460 R N 2.801 123.422 120.500 0.203 0.000 2.170 460 R HA -0.203 4.041 4.340 -0.161 0.000 0.242 460 R C 1.904 178.295 176.300 0.151 0.000 1.145 460 R CA 1.311 57.494 56.100 0.137 0.000 0.984 460 R CB -0.145 30.137 30.300 -0.030 0.000 0.869 460 R HN 0.659 nan 8.270 nan 0.000 0.455 461 W N 0.515 121.766 121.300 -0.081 0.000 2.325 461 W HA -0.216 4.346 4.660 -0.162 0.000 0.299 461 W C 1.245 177.683 176.519 -0.134 0.000 1.215 461 W CA 1.496 58.732 57.345 -0.182 0.000 1.244 461 W CB -0.217 29.027 29.460 -0.360 0.000 1.140 461 W HN -0.030 nan 8.180 nan 0.000 0.523 462 F N -0.226 119.900 119.950 0.294 0.000 2.149 462 F HA -0.090 4.341 4.527 -0.159 0.000 0.294 462 F C 2.311 178.192 175.800 0.134 0.000 1.095 462 F CA 1.357 59.488 58.000 0.218 0.000 1.276 462 F CB -1.257 37.949 39.000 0.344 0.000 1.023 462 F HN -0.244 nan 8.300 nan 0.000 0.480 463 L N 0.206 121.641 121.223 0.353 0.000 2.012 463 L HA -0.219 4.024 4.340 -0.161 0.000 0.210 463 L C 2.648 179.598 176.870 0.133 0.000 1.073 463 L CA 1.610 56.650 54.840 0.333 0.000 0.748 463 L CB -1.205 41.071 42.059 0.362 0.000 0.891 463 L HN 0.182 nan 8.230 nan 0.000 0.431 464 V N -2.281 117.622 119.914 -0.018 0.000 2.392 464 V HA -0.308 3.715 4.120 -0.161 0.000 0.249 464 V C 2.237 178.207 176.094 -0.206 0.000 1.059 464 V CA 1.721 63.918 62.300 -0.171 0.000 1.051 464 V CB -0.927 30.796 31.823 -0.167 0.000 0.658 464 V HN 0.533 nan 8.190 nan 0.000 0.455 465 Q N 0.175 119.868 119.800 -0.178 0.000 2.084 465 Q HA -0.042 4.201 4.340 -0.161 0.000 0.202 465 Q C 2.359 178.279 176.000 -0.133 0.000 0.978 465 Q CA 2.122 57.815 55.803 -0.182 0.000 0.844 465 Q CB -0.300 28.295 28.738 -0.237 0.000 0.898 465 Q HN 0.666 nan 8.270 nan 0.000 0.426 466 I N 0.807 121.341 120.570 -0.060 0.000 2.439 466 I HA -0.227 3.846 4.170 -0.161 0.000 0.251 466 I C 2.515 178.552 176.117 -0.133 0.000 1.139 466 I CA 0.953 62.177 61.300 -0.126 0.000 1.438 466 I CB -0.163 37.867 38.000 0.050 0.000 1.085 466 I HN 0.274 nan 8.210 nan 0.000 0.427 467 E N 1.284 121.315 120.200 -0.283 0.000 2.072 467 E HA -0.301 3.952 4.350 -0.161 0.000 0.191 467 E C 2.096 178.514 176.600 -0.304 0.000 0.985 467 E CA 1.374 57.388 56.400 -0.643 0.000 0.801 467 E CB -0.028 28.945 29.700 -1.213 0.000 0.750 467 E HN 0.475 nan 8.360 nan 0.000 0.452 468 E N 0.511 120.576 120.200 -0.225 0.000 2.085 468 E HA -0.224 4.029 4.350 -0.161 0.000 0.194 468 E C 2.279 178.859 176.600 -0.034 0.000 0.994 468 E CA 1.261 57.587 56.400 -0.122 0.000 0.801 468 E CB -0.134 29.503 29.700 -0.104 0.000 0.743 468 E HN 0.352 nan 8.360 nan 0.000 0.453 469 L N 0.311 121.511 121.223 -0.040 0.000 2.042 469 L HA -0.207 4.036 4.340 -0.161 0.000 0.210 469 L C 2.620 179.585 176.870 0.158 0.000 1.076 469 L CA 0.900 55.788 54.840 0.081 0.000 0.749 469 L CB -0.513 41.481 42.059 -0.108 0.000 0.893 469 L HN 0.130 nan 8.230 nan 0.000 0.432 470 V N 0.114 120.048 119.914 0.032 0.000 2.287 470 V HA -0.298 3.725 4.120 -0.161 0.000 0.248 470 V C 2.751 178.890 176.094 0.075 0.000 1.053 470 V CA 1.813 64.157 62.300 0.074 0.000 1.027 470 V CB -0.634 31.244 31.823 0.091 0.000 0.646 470 V HN 0.477 nan 8.190 nan 0.000 0.447 471 R N -0.116 120.404 120.500 0.033 0.000 2.105 471 R HA -0.123 4.120 4.340 -0.161 0.000 0.239 471 R C 2.202 178.535 176.300 0.054 0.000 1.135 471 R CA 1.427 57.543 56.100 0.026 0.000 0.967 471 R CB -0.928 29.366 30.300 -0.011 0.000 0.861 471 R HN 0.435 nan 8.270 nan 0.000 0.442 472 L N 0.967 122.246 121.223 0.093 0.000 2.093 472 L HA -0.116 4.127 4.340 -0.161 0.000 0.208 472 L C 2.441 179.319 176.870 0.013 0.000 1.085 472 L CA 1.268 56.171 54.840 0.106 0.000 0.755 472 L CB -0.395 41.774 42.059 0.183 0.000 0.904 472 L HN 0.208 nan 8.230 nan 0.000 0.435 473 E N 0.154 120.371 120.200 0.028 0.000 2.110 473 E HA -0.232 4.021 4.350 -0.161 0.000 0.193 473 E C 2.039 178.641 176.600 0.004 0.000 0.988 473 E CA 1.228 57.608 56.400 -0.034 0.000 0.804 473 E CB -0.010 29.747 29.700 0.095 0.000 0.745 473 E HN 0.569 nan 8.360 nan 0.000 0.458 474 E N 0.942 121.164 120.200 0.036 0.000 2.077 474 E HA -0.223 4.030 4.350 -0.161 0.000 0.193 474 E C 2.089 178.705 176.600 0.026 0.000 0.989 474 E CA 1.102 57.522 56.400 0.033 0.000 0.800 474 E CB -0.111 29.610 29.700 0.035 0.000 0.746 474 E HN 0.117 nan 8.360 nan 0.000 0.452 475 K N 1.351 121.773 120.400 0.036 0.000 2.057 475 K HA -0.140 4.083 4.320 -0.161 0.000 0.207 475 K C 2.089 178.735 176.600 0.076 0.000 1.049 475 K CA 1.215 57.523 56.287 0.034 0.000 0.931 475 K CB -0.052 32.457 32.500 0.015 0.000 0.714 475 K HN -0.041 nan 8.250 nan 0.000 0.440 476 V N 1.760 121.739 119.914 0.109 0.000 2.255 476 V HA -0.269 3.754 4.120 -0.161 0.000 0.247 476 V C 2.538 178.658 176.094 0.043 0.000 1.051 476 V CA 2.154 64.511 62.300 0.095 0.000 1.018 476 V CB -0.867 30.917 31.823 -0.066 0.000 0.641 476 V HN 0.573 nan 8.190 nan 0.000 0.445 477 A N -1.205 121.626 122.820 0.017 0.000 2.172 477 A HA -0.197 4.026 4.320 -0.161 0.000 0.216 477 A C 2.244 179.839 177.584 0.018 0.000 1.154 477 A CA 1.716 53.761 52.037 0.015 0.000 0.701 477 A CB -0.350 18.660 19.000 0.015 0.000 0.789 477 A HN 0.674 nan 8.150 nan 0.000 0.465 478 E N -0.242 119.970 120.200 0.020 0.000 2.099 478 E HA -0.067 4.186 4.350 -0.161 0.000 0.191 478 E C 1.970 178.576 176.600 0.009 0.000 0.962 478 E CA 1.137 57.543 56.400 0.010 0.000 0.826 478 E CB 0.027 29.727 29.700 -0.000 0.000 0.788 478 E HN 0.467 nan 8.360 nan 0.000 0.461 479 V N -1.325 118.600 119.914 0.018 0.000 2.719 479 V HA 0.229 4.252 4.120 -0.161 0.000 0.252 479 V C 1.095 177.211 176.094 0.036 0.000 1.065 479 V CA 0.993 63.305 62.300 0.019 0.000 1.086 479 V CB -0.866 30.965 31.823 0.013 0.000 0.700 479 V HN 0.397 nan 8.190 nan 0.000 0.467 480 G N 0.234 109.060 108.800 0.043 0.000 2.796 480 G HA2 -0.306 3.557 3.960 -0.161 0.000 0.226 480 G HA3 -0.306 3.557 3.960 -0.161 0.000 0.226 480 G C 0.478 175.406 174.900 0.046 0.000 1.381 480 G CA 0.094 45.214 45.100 0.034 0.000 0.867 480 G HN 0.999 nan 8.290 nan 0.000 0.552 481 I N -0.343 120.245 120.570 0.029 0.000 2.502 481 I HA -0.148 3.925 4.170 -0.161 0.000 0.258 481 I C 2.322 178.470 176.117 0.052 0.000 1.172 481 I CA 2.801 64.119 61.300 0.031 0.000 1.430 481 I CB -0.237 37.768 38.000 0.009 0.000 1.086 481 I HN 0.645 nan 8.210 nan 0.000 0.440 482 T N 0.257 114.840 114.554 0.048 0.000 3.023 482 T HA 0.018 4.271 4.350 -0.161 0.000 0.266 482 T C 1.481 176.224 174.700 0.072 0.000 1.093 482 T CA 1.161 63.292 62.100 0.053 0.000 1.129 482 T CB -0.293 68.595 68.868 0.033 0.000 0.899 482 T HN 0.633 nan 8.240 nan 0.000 0.491 483 G N 0.632 109.483 108.800 0.085 0.000 2.813 483 G HA2 0.144 4.007 3.960 -0.161 0.000 0.209 483 G HA3 0.144 4.007 3.960 -0.161 0.000 0.209 483 G C 0.493 175.531 174.900 0.229 0.000 1.150 483 G CA -0.095 45.068 45.100 0.106 0.000 0.785 483 G HN 0.478 nan 8.290 nan 0.000 0.535 484 L N 2.708 124.059 121.223 0.213 0.000 2.399 484 L HA 0.243 4.486 4.340 -0.161 0.000 0.257 484 L C 0.154 177.184 176.870 0.268 0.000 1.236 484 L CA -0.822 54.166 54.840 0.248 0.000 1.144 484 L CB -0.709 41.423 42.059 0.122 0.000 1.379 484 L HN 0.208 nan 8.230 nan 0.000 0.414 485 N N 0.536 119.371 118.700 0.225 0.000 2.408 485 N HA 0.353 4.996 4.740 -0.161 0.000 0.260 485 N C 1.199 176.623 175.510 -0.143 0.000 1.242 485 N CA -0.029 53.073 53.050 0.086 0.000 0.959 485 N CB 0.892 39.400 38.487 0.035 0.000 1.201 485 N HN 0.215 nan 8.380 nan 0.000 0.511 486 A N -0.153 122.298 122.820 -0.616 0.000 1.940 486 A HA -0.223 4.000 4.320 -0.161 0.000 0.219 486 A C 1.407 178.816 177.584 -0.293 0.000 1.176 486 A CA 1.818 53.340 52.037 -0.858 0.000 0.631 486 A CB -0.824 17.646 19.000 -0.883 0.000 0.814 486 A HN 0.782 nan 8.150 nan 0.000 0.446 487 D N -1.691 118.630 120.400 -0.131 0.000 2.149 487 D HA -0.044 4.499 4.640 -0.161 0.000 0.201 487 D C 1.505 177.865 176.300 0.101 0.000 0.972 487 D CA 0.848 54.839 54.000 -0.015 0.000 0.835 487 D CB -0.276 40.523 40.800 -0.002 0.000 0.966 487 D HN 0.422 nan 8.370 nan 0.000 0.476 488 F N 0.786 120.684 119.950 -0.087 0.000 2.219 488 F HA 0.045 4.475 4.527 -0.161 0.000 0.294 488 F C 1.903 177.671 175.800 -0.053 0.000 1.086 488 F CA 0.260 58.224 58.000 -0.060 0.000 1.330 488 F CB -0.540 38.428 39.000 -0.053 0.000 1.047 488 F HN -0.131 nan 8.300 nan 0.000 0.495 489 L N 1.061 122.198 121.223 -0.144 0.000 2.042 489 L HA -0.157 4.086 4.340 -0.161 0.000 0.210 489 L C 2.645 179.401 176.870 -0.189 0.000 1.076 489 L CA 2.010 56.721 54.840 -0.215 0.000 0.749 489 L CB -0.892 41.183 42.059 0.026 0.000 0.893 489 L HN 0.193 nan 8.230 nan 0.000 0.432 490 R N -0.943 119.495 120.500 -0.103 0.000 2.096 490 R HA -0.218 4.025 4.340 -0.161 0.000 0.235 490 R C 2.341 178.596 176.300 -0.076 0.000 1.127 490 R CA 1.758 57.817 56.100 -0.067 0.000 0.968 490 R CB -0.363 29.936 30.300 -0.002 0.000 0.861 490 R HN 0.641 nan 8.270 nan 0.000 0.440 491 Q N 0.604 120.378 119.800 -0.045 0.000 2.020 491 Q HA -0.182 4.061 4.340 -0.161 0.000 0.202 491 Q C 2.107 178.088 176.000 -0.030 0.000 0.982 491 Q CA 1.994 57.800 55.803 0.005 0.000 0.838 491 Q CB -0.183 28.623 28.738 0.114 0.000 0.899 491 Q HN 0.488 nan 8.270 nan 0.000 0.423 492 L N 0.653 121.785 121.223 -0.151 0.000 2.079 492 L HA -0.215 4.028 4.340 -0.161 0.000 0.210 492 L C 2.524 179.410 176.870 0.026 0.000 1.081 492 L CA 1.119 55.923 54.840 -0.059 0.000 0.752 492 L CB -0.461 41.347 42.059 -0.418 0.000 0.896 492 L HN 0.127 nan 8.230 nan 0.000 0.433 493 K N 0.273 120.543 120.400 -0.217 0.000 2.217 493 K HA -0.048 4.176 4.320 -0.161 0.000 0.202 493 K C 2.123 178.482 176.600 -0.401 0.000 1.051 493 K CA 0.968 56.969 56.287 -0.476 0.000 0.952 493 K CB -0.192 31.684 32.500 -1.040 0.000 0.736 493 K HN 0.330 nan 8.250 nan 0.000 0.453 494 R N 0.774 121.168 120.500 -0.177 0.000 2.235 494 R HA 0.031 4.274 4.340 -0.161 0.000 0.213 494 R C 1.489 177.790 176.300 0.003 0.000 1.059 494 R CA 0.622 56.711 56.100 -0.018 0.000 0.997 494 R CB 0.153 30.481 30.300 0.046 0.000 0.884 494 R HN -0.025 nan 8.270 nan 0.000 0.462 495 K N -0.589 119.803 120.400 -0.013 0.000 2.404 495 K HA 0.147 4.371 4.320 -0.161 0.000 0.194 495 K C 0.872 177.362 176.600 -0.184 0.000 1.023 495 K CA 0.735 56.990 56.287 -0.054 0.000 1.094 495 K CB 1.284 33.786 32.500 0.003 0.000 0.841 495 K HN 0.372 nan 8.250 nan 0.000 0.523 496 G N 1.296 110.015 108.800 -0.135 0.000 2.176 496 G HA2 -0.241 3.622 3.960 -0.161 0.000 0.232 496 G HA3 -0.241 3.622 3.960 -0.161 0.000 0.232 496 G C 0.013 174.809 174.900 -0.173 0.000 0.986 496 G CA -0.528 44.486 45.100 -0.143 0.000 0.643 496 G HN 0.176 nan 8.290 nan 0.000 0.522 497 F N 1.938 121.854 119.950 -0.057 0.000 2.607 497 F HA 0.476 4.906 4.527 -0.162 0.000 0.374 497 F C 1.149 176.910 175.800 -0.065 0.000 1.104 497 F CA 0.578 58.546 58.000 -0.053 0.000 1.296 497 F CB 0.726 39.670 39.000 -0.093 0.000 1.085 497 F HN 0.373 nan 8.300 nan 0.000 0.584 498 A N 3.090 126.029 122.820 0.199 0.000 2.304 498 A HA 0.293 4.516 4.320 -0.161 0.000 0.301 498 A C 1.013 178.648 177.584 0.085 0.000 1.132 498 A CA -0.757 51.345 52.037 0.109 0.000 0.819 498 A CB 0.377 19.435 19.000 0.097 0.000 1.094 498 A HN 0.757 nan 8.150 nan 0.000 0.492 499 D N 1.909 122.336 120.400 0.045 0.000 2.116 499 D HA -0.199 4.344 4.640 -0.161 0.000 0.193 499 D C 2.158 178.471 176.300 0.021 0.000 0.998 499 D CA 2.189 56.200 54.000 0.018 0.000 0.836 499 D CB -0.367 40.443 40.800 0.016 0.000 0.951 499 D HN 0.664 nan 8.370 nan 0.000 0.449 500 A N 0.573 123.412 122.820 0.033 0.000 1.933 500 A HA -0.202 4.021 4.320 -0.161 0.000 0.218 500 A C 2.196 179.806 177.584 0.043 0.000 1.175 500 A CA 1.925 53.980 52.037 0.029 0.000 0.628 500 A CB -0.434 18.581 19.000 0.026 0.000 0.814 500 A HN 0.124 nan 8.150 nan 0.000 0.444 501 R N -0.107 120.441 120.500 0.079 0.000 2.073 501 R HA 0.064 4.307 4.340 -0.161 0.000 0.229 501 R C 1.908 178.242 176.300 0.057 0.000 1.120 501 R CA 1.322 57.490 56.100 0.113 0.000 0.967 501 R CB -0.589 29.847 30.300 0.227 0.000 0.862 501 R HN 0.489 nan 8.270 nan 0.000 0.436 502 L N 0.034 121.265 121.223 0.013 0.000 2.083 502 L HA -0.121 4.122 4.340 -0.161 0.000 0.209 502 L C 2.530 179.373 176.870 -0.044 0.000 1.083 502 L CA 1.368 56.162 54.840 -0.076 0.000 0.752 502 L CB -0.707 41.285 42.059 -0.112 0.000 0.899 502 L HN 0.356 nan 8.230 nan 0.000 0.433 503 A N 0.615 123.424 122.820 -0.018 0.000 1.902 503 A HA -0.214 4.009 4.320 -0.161 0.000 0.217 503 A C 2.291 179.872 177.584 -0.005 0.000 1.181 503 A CA 1.727 53.756 52.037 -0.013 0.000 0.623 503 A CB -0.311 18.683 19.000 -0.009 0.000 0.818 503 A HN 0.359 nan 8.150 nan 0.000 0.443 504 K N -0.227 120.177 120.400 0.007 0.000 2.148 504 K HA 0.038 4.261 4.320 -0.161 0.000 0.204 504 K C 1.687 178.293 176.600 0.009 0.000 1.050 504 K CA 1.178 57.472 56.287 0.011 0.000 0.942 504 K CB -0.332 32.181 32.500 0.022 0.000 0.724 504 K HN 0.446 nan 8.250 nan 0.000 0.446 505 L N 0.337 121.561 121.223 0.003 0.000 2.109 505 L HA -0.067 4.176 4.340 -0.161 0.000 0.207 505 L C 2.336 179.203 176.870 -0.006 0.000 1.086 505 L CA 0.998 55.837 54.840 -0.002 0.000 0.760 505 L CB -0.327 41.715 42.059 -0.029 0.000 0.910 505 L HN 0.165 nan 8.230 nan 0.000 0.437 506 A N -0.366 122.446 122.820 -0.014 0.000 2.251 506 A HA 0.297 4.520 4.320 -0.161 0.000 0.209 506 A C 1.600 179.183 177.584 -0.002 0.000 1.187 506 A CA 0.584 52.616 52.037 -0.008 0.000 0.823 506 A CB -0.541 18.450 19.000 -0.015 0.000 0.846 506 A HN 0.472 nan 8.150 nan 0.000 0.486 507 G N -0.519 108.280 108.800 -0.002 0.000 2.295 507 G HA2 -0.074 3.789 3.960 -0.161 0.000 0.287 507 G HA3 -0.074 3.789 3.960 -0.161 0.000 0.287 507 G C 0.333 175.232 174.900 -0.002 0.000 1.055 507 G CA 0.955 46.055 45.100 0.000 0.000 0.922 507 G HN 1.744 nan 8.290 nan 0.000 0.503 508 V N -4.191 115.720 119.914 -0.006 0.000 3.528 508 V HA 0.947 4.970 4.120 -0.161 0.000 0.301 508 V C 0.386 176.474 176.094 -0.009 0.000 1.332 508 V CA -1.645 60.650 62.300 -0.008 0.000 1.004 508 V CB 1.211 33.028 31.823 -0.012 0.000 1.222 508 V HN 0.310 nan 8.190 nan 0.000 0.478 509 R N 0.103 120.597 120.500 -0.012 0.000 2.532 509 R HA 0.402 4.645 4.340 -0.161 0.000 0.295 509 R C 1.143 177.435 176.300 -0.013 0.000 0.968 509 R CA 0.046 56.139 56.100 -0.012 0.000 0.916 509 R CB 1.521 31.813 30.300 -0.012 0.000 1.124 509 R HN 0.950 nan 8.270 nan 0.000 0.463 510 E N 2.597 122.791 120.200 -0.010 0.000 2.187 510 E HA -0.315 3.938 4.350 -0.161 0.000 0.199 510 E C 1.171 177.765 176.600 -0.009 0.000 1.004 510 E CA 1.954 58.350 56.400 -0.007 0.000 0.813 510 E CB 0.092 29.791 29.700 -0.003 0.000 0.736 510 E HN 0.724 nan 8.360 nan 0.000 0.468 511 A N 0.871 123.685 122.820 -0.011 0.000 1.930 511 A HA -0.195 4.028 4.320 -0.161 0.000 0.217 511 A C 1.934 179.506 177.584 -0.020 0.000 1.175 511 A CA 1.519 53.550 52.037 -0.011 0.000 0.627 511 A CB -0.433 18.561 19.000 -0.011 0.000 0.815 511 A HN 0.366 nan 8.150 nan 0.000 0.443 512 E N -0.338 119.848 120.200 -0.023 0.000 2.153 512 E HA -0.146 4.107 4.350 -0.161 0.000 0.194 512 E C 1.761 178.332 176.600 -0.048 0.000 0.988 512 E CA 1.018 57.398 56.400 -0.034 0.000 0.811 512 E CB -0.150 29.533 29.700 -0.028 0.000 0.746 512 E HN 0.574 nan 8.360 nan 0.000 0.466 513 I N 0.505 121.051 120.570 -0.040 0.000 2.353 513 I HA -0.168 3.905 4.170 -0.161 0.000 0.248 513 I C 2.468 178.553 176.117 -0.052 0.000 1.119 513 I CA 0.956 62.227 61.300 -0.048 0.000 1.417 513 I CB -0.804 37.175 38.000 -0.036 0.000 1.078 513 I HN 0.082 nan 8.210 nan 0.000 0.421 514 R N 1.513 121.994 120.500 -0.031 0.000 2.083 514 R HA -0.189 4.054 4.340 -0.161 0.000 0.237 514 R C 2.338 178.616 176.300 -0.036 0.000 1.137 514 R CA 1.612 57.702 56.100 -0.017 0.000 0.951 514 R CB -0.017 30.288 30.300 0.008 0.000 0.851 514 R HN 0.210 nan 8.270 nan 0.000 0.434 515 K N 0.132 120.503 120.400 -0.047 0.000 2.009 515 K HA -0.192 4.031 4.320 -0.161 0.000 0.210 515 K C 2.065 178.581 176.600 -0.139 0.000 1.049 515 K CA 1.538 57.787 56.287 -0.065 0.000 0.929 515 K CB -0.314 32.150 32.500 -0.060 0.000 0.714 515 K HN 0.081 nan 8.250 nan 0.000 0.440 516 L N 1.619 122.726 121.223 -0.193 0.000 2.081 516 L HA -0.236 4.007 4.340 -0.161 0.000 0.212 516 L C 2.141 178.702 176.870 -0.515 0.000 1.080 516 L CA 1.712 56.318 54.840 -0.391 0.000 0.754 516 L CB -0.252 41.633 42.059 -0.289 0.000 0.893 516 L HN 0.113 nan 8.230 nan 0.000 0.433 517 R N -1.127 119.240 120.500 -0.222 0.000 2.090 517 R HA -0.115 4.128 4.340 -0.161 0.000 0.228 517 R C 2.003 178.225 176.300 -0.130 0.000 1.110 517 R CA 1.184 57.213 56.100 -0.118 0.000 0.973 517 R CB -0.411 29.823 30.300 -0.110 0.000 0.869 517 R HN 0.440 nan 8.270 nan 0.000 0.440 518 D N 0.605 120.956 120.400 -0.081 0.000 2.144 518 D HA -0.197 4.347 4.640 -0.161 0.000 0.199 518 D C 1.833 178.175 176.300 0.069 0.000 0.984 518 D CA 1.154 55.201 54.000 0.077 0.000 0.834 518 D CB 0.120 40.966 40.800 0.078 0.000 0.955 518 D HN 0.258 nan 8.370 nan 0.000 0.465 519 Q N -0.702 119.060 119.800 -0.063 0.000 2.084 519 Q HA -0.182 4.061 4.340 -0.161 0.000 0.202 519 Q C 1.505 177.538 176.000 0.054 0.000 0.978 519 Q CA 1.105 56.860 55.803 -0.080 0.000 0.844 519 Q CB 0.044 28.611 28.738 -0.285 0.000 0.898 519 Q HN 0.365 nan 8.270 nan 0.000 0.426 520 Y N 0.075 120.389 120.300 0.023 0.000 2.511 520 Y HA 0.052 4.505 4.550 -0.162 0.000 0.279 520 Y C 0.351 176.277 175.900 0.043 0.000 1.157 520 Y CA 0.595 58.709 58.100 0.024 0.000 1.300 520 Y CB 0.014 38.475 38.460 0.003 0.000 1.052 520 Y HN 0.228 nan 8.280 nan 0.000 0.529 521 D N -0.618 119.911 120.400 0.214 0.000 2.835 521 D HA -0.188 4.355 4.640 -0.161 0.000 0.230 521 D C -0.792 175.635 176.300 0.212 0.000 1.130 521 D CA 0.188 54.344 54.000 0.260 0.000 0.738 521 D CB -1.285 39.641 40.800 0.210 0.000 1.090 521 D HN 0.114 nan 8.370 nan 0.000 0.433 522 L N 2.335 123.542 121.223 -0.026 0.000 2.315 522 L HA 0.403 4.647 4.340 -0.161 0.000 0.278 522 L C -0.648 176.019 176.870 -0.337 0.000 1.088 522 L CA -0.102 54.720 54.840 -0.030 0.000 0.899 522 L CB 0.232 42.356 42.059 0.108 0.000 1.277 522 L HN 0.139 nan 8.230 nan 0.000 0.431 523 H N 3.936 123.066 119.070 0.101 0.000 2.865 523 H HA 0.589 5.048 4.556 -0.162 0.000 0.372 523 H C -2.486 172.548 175.328 -0.490 0.000 1.173 523 H CA -1.744 54.262 56.048 -0.071 0.000 1.147 523 H CB 1.733 31.477 29.762 -0.031 0.000 1.805 523 H HN 0.316 nan 8.280 nan 0.000 0.553 524 P HA 0.122 nan 4.420 nan 0.000 0.277 524 P C -0.322 176.640 177.300 -0.563 0.000 1.271 524 P CA -0.453 62.028 63.100 -1.032 0.000 0.795 524 P CB 0.977 32.139 31.700 -0.897 0.000 1.101 525 V N -3.088 116.475 119.914 -0.585 0.000 3.046 525 V HA 0.599 4.622 4.120 -0.161 0.000 0.316 525 V C -1.379 174.367 176.094 -0.581 0.000 1.104 525 V CA -0.947 61.133 62.300 -0.367 0.000 1.006 525 V CB 1.656 33.367 31.823 -0.188 0.000 1.058 525 V HN 0.316 nan 8.190 nan 0.000 0.440 526 Y N 1.575 121.809 120.300 -0.110 0.000 2.326 526 Y HA 0.659 5.111 4.550 -0.162 0.000 0.331 526 Y C 0.435 176.169 175.900 -0.278 0.000 0.962 526 Y CA -0.774 57.225 58.100 -0.168 0.000 1.167 526 Y CB 1.843 40.291 38.460 -0.021 0.000 1.148 526 Y HN 0.577 nan 8.280 nan 0.000 0.463 527 K N 3.098 123.215 120.400 -0.471 0.000 2.209 527 K HA 0.613 4.836 4.320 -0.161 0.000 0.238 527 K C -0.225 176.131 176.600 -0.407 0.000 1.028 527 K CA -0.866 55.163 56.287 -0.430 0.000 0.935 527 K CB 1.159 33.389 32.500 -0.450 0.000 1.162 527 K HN 0.684 nan 8.250 nan 0.000 0.485 528 R N -0.210 120.193 120.500 -0.161 0.000 2.854 528 R HA 0.464 4.707 4.340 -0.161 0.000 0.271 528 R C -0.619 175.718 176.300 0.061 0.000 0.996 528 R CA -1.074 54.992 56.100 -0.057 0.000 0.961 528 R CB 1.458 31.750 30.300 -0.014 0.000 1.182 528 R HN 0.177 nan 8.270 nan 0.000 0.479 529 V N 2.030 121.902 119.914 -0.070 0.000 2.498 529 V HA 0.054 4.078 4.120 -0.161 0.000 0.279 529 V C 0.149 176.252 176.094 0.015 0.000 1.048 529 V CA 0.352 62.583 62.300 -0.115 0.000 0.967 529 V CB 1.208 32.530 31.823 -0.835 0.000 0.988 529 V HN 0.990 nan 8.190 nan 0.000 0.473 530 D N 0.654 121.123 120.400 0.116 0.000 2.460 530 D HA 0.047 4.590 4.640 -0.161 0.000 0.263 530 D C 0.954 177.351 176.300 0.162 0.000 1.209 530 D CA 0.840 54.907 54.000 0.111 0.000 0.818 530 D CB 0.277 41.145 40.800 0.113 0.000 1.239 530 D HN 0.778 nan 8.370 nan 0.000 0.530 531 T N -2.118 112.559 114.554 0.204 0.000 7.880 531 T HA -0.337 3.916 4.350 -0.161 0.000 0.303 531 T C 1.118 176.024 174.700 0.343 0.000 2.087 531 T CA 1.212 63.494 62.100 0.304 0.000 3.396 531 T CB -2.935 66.225 68.868 0.485 0.000 1.703 531 T HN 0.880 nan 8.240 nan 0.000 0.997 532 C N 1.056 120.516 119.300 0.267 0.000 2.969 532 C HA 0.904 5.268 4.460 -0.161 0.000 0.260 532 C C 1.728 176.786 174.990 0.114 0.000 1.618 532 C CA -0.331 58.844 59.018 0.261 0.000 1.774 532 C CB -0.529 27.436 27.740 0.376 0.000 3.063 532 C HN 2.221 nan 8.230 nan 0.000 0.506 533 A N 0.081 122.939 122.820 0.063 0.000 2.799 533 A HA 0.218 4.441 4.320 -0.161 0.000 0.287 533 A C 1.603 179.192 177.584 0.008 0.000 1.484 533 A CA 1.707 53.750 52.037 0.010 0.000 0.813 533 A CB -1.824 17.159 19.000 -0.028 0.000 1.009 533 A HN 2.837 nan 8.150 nan 0.000 0.545 534 A N -2.567 120.271 122.820 0.029 0.000 3.201 534 A HA -0.292 3.932 4.320 -0.161 0.000 0.260 534 A C 1.127 178.654 177.584 -0.096 0.000 1.222 534 A CA 2.119 54.154 52.037 -0.003 0.000 1.124 534 A CB -2.282 16.721 19.000 0.006 0.000 1.155 534 A HN 1.922 nan 8.150 nan 0.000 0.924 535 E N -1.537 118.554 120.200 -0.182 0.000 2.204 535 E HA 0.087 4.340 4.350 -0.161 0.000 0.194 535 E C 0.073 176.197 176.600 -0.794 0.000 0.989 535 E CA 1.012 57.127 56.400 -0.476 0.000 0.824 535 E CB -0.012 29.341 29.700 -0.578 0.000 0.756 535 E HN 0.734 nan 8.360 nan 0.000 0.477 536 F N -0.509 119.431 119.950 -0.017 0.000 2.563 536 F HA 0.549 4.979 4.527 -0.162 0.000 0.316 536 F C -0.003 175.785 175.800 -0.021 0.000 1.076 536 F CA -1.065 56.916 58.000 -0.032 0.000 0.921 536 F CB 1.518 40.479 39.000 -0.066 0.000 1.209 536 F HN -0.191 nan 8.300 nan 0.000 0.462 537 A N 1.081 124.011 122.820 0.183 0.000 2.354 537 A HA 0.600 4.823 4.320 -0.161 0.000 0.269 537 A C -0.101 177.530 177.584 0.078 0.000 1.109 537 A CA -0.249 51.845 52.037 0.095 0.000 0.800 537 A CB 0.673 19.712 19.000 0.064 0.000 1.045 537 A HN 0.717 nan 8.150 nan 0.000 0.489 538 T N -0.145 114.438 114.554 0.048 0.000 2.888 538 T HA 0.406 4.659 4.350 -0.161 0.000 0.284 538 T C -0.086 174.621 174.700 0.012 0.000 1.017 538 T CA -0.500 61.614 62.100 0.023 0.000 1.022 538 T CB 0.980 69.861 68.868 0.022 0.000 1.013 538 T HN 0.550 nan 8.240 nan 0.000 0.465 539 D N 1.868 122.268 120.400 -0.000 0.000 2.379 539 D HA 0.154 4.697 4.640 -0.161 0.000 0.208 539 D C 0.358 176.662 176.300 0.006 0.000 1.065 539 D CA 0.431 54.433 54.000 0.003 0.000 0.848 539 D CB 0.484 41.285 40.800 0.001 0.000 0.949 539 D HN 0.511 nan 8.370 nan 0.000 0.509 540 T N 0.557 115.111 114.554 0.000 0.000 2.889 540 T HA 0.506 4.760 4.350 -0.161 0.000 0.291 540 T C 0.302 175.021 174.700 0.031 0.000 0.995 540 T CA -0.493 61.614 62.100 0.011 0.000 1.092 540 T CB 1.969 70.810 68.868 -0.045 0.000 0.954 540 T HN -0.055 nan 8.240 nan 0.000 0.506 541 A N 3.378 126.222 122.820 0.039 0.000 3.079 541 A HA 0.388 4.612 4.320 -0.161 0.000 0.315 541 A C -0.737 176.877 177.584 0.051 0.000 1.334 541 A CA -0.525 51.515 52.037 0.005 0.000 1.048 541 A CB -0.305 18.662 19.000 -0.055 0.000 1.156 541 A HN 0.743 nan 8.150 nan 0.000 0.523 542 Y N 3.112 123.383 120.300 -0.048 0.000 2.587 542 Y HA 0.675 5.128 4.550 -0.162 0.000 0.328 542 Y C -0.526 175.383 175.900 0.016 0.000 0.980 542 Y CA -1.755 56.353 58.100 0.014 0.000 1.272 542 Y CB 0.316 38.818 38.460 0.069 0.000 1.094 542 Y HN 0.577 nan 8.280 nan 0.000 0.503 543 M N 5.975 125.695 119.600 0.201 0.000 2.777 543 M HA 0.556 4.939 4.480 -0.161 0.000 0.307 543 M C -1.485 175.008 176.300 0.322 0.000 1.228 543 M CA -1.104 54.242 55.300 0.077 0.000 0.871 543 M CB 2.578 35.101 32.600 -0.127 0.000 1.721 543 M HN 0.448 nan 8.290 nan 0.000 0.487 544 Y N -1.781 118.670 120.300 0.252 0.000 2.513 544 Y HA 0.742 5.195 4.550 -0.161 0.000 0.340 544 Y C -0.725 175.322 175.900 0.247 0.000 1.055 544 Y CA -1.504 56.762 58.100 0.276 0.000 1.020 544 Y CB 0.755 39.247 38.460 0.052 0.000 1.301 544 Y HN 0.737 nan 8.280 nan 0.000 0.453 545 S N 1.997 117.884 115.700 0.311 0.000 2.584 545 S HA 0.727 5.100 4.470 -0.161 0.000 0.273 545 S C -0.293 174.321 174.600 0.023 0.000 1.311 545 S CA 0.237 58.350 58.200 -0.144 0.000 1.034 545 S CB 1.502 64.606 63.200 -0.159 0.000 0.939 545 S HN 1.152 nan 8.310 nan 0.000 0.513 546 T N 1.356 115.808 114.554 -0.169 0.000 2.840 546 T HA 0.443 4.696 4.350 -0.161 0.000 0.317 546 T C -2.070 172.560 174.700 -0.116 0.000 1.401 546 T CA -0.560 61.553 62.100 0.023 0.000 1.028 546 T CB 0.765 69.692 68.868 0.099 0.000 1.317 546 T HN 0.576 nan 8.240 nan 0.000 0.495 547 Y N 2.482 122.770 120.300 -0.020 0.000 2.821 547 Y HA 0.488 4.941 4.550 -0.162 0.000 0.331 547 Y C 0.885 176.784 175.900 -0.002 0.000 1.251 547 Y CA -0.415 57.674 58.100 -0.018 0.000 1.494 547 Y CB 0.384 38.843 38.460 -0.001 0.000 1.493 547 Y HN 0.631 nan 8.280 nan 0.000 0.496 548 E N -0.122 120.076 120.200 -0.002 0.000 3.010 548 E HA 0.255 4.509 4.350 -0.161 0.000 0.199 548 E C 0.692 177.297 176.600 0.009 0.000 0.698 548 E CA -0.406 56.009 56.400 0.025 0.000 1.360 548 E CB 0.940 30.657 29.700 0.029 0.000 1.860 548 E HN 0.221 nan 8.360 nan 0.000 0.376 549 E N 0.552 120.756 120.200 0.007 0.000 2.182 549 E HA 0.078 4.331 4.350 -0.161 0.000 0.195 549 E C -0.244 176.356 176.600 -0.001 0.000 0.933 549 E CA 0.310 56.715 56.400 0.009 0.000 0.940 549 E CB 0.281 29.991 29.700 0.017 0.000 0.945 549 E HN 0.270 nan 8.360 nan 0.000 0.477 550 E N 0.864 121.062 120.200 -0.004 0.000 2.167 550 E HA 0.150 4.403 4.350 -0.161 0.000 0.284 550 E C -1.053 175.539 176.600 -0.013 0.000 1.016 550 E CA -0.209 56.189 56.400 -0.003 0.000 0.817 550 E CB 1.047 30.748 29.700 0.002 0.000 1.080 550 E HN 0.043 nan 8.360 nan 0.000 0.397 551 C N 4.300 123.600 119.300 0.001 0.000 2.401 551 C HA 0.275 4.638 4.460 -0.161 0.000 0.365 551 C C 0.729 175.736 174.990 0.028 0.000 1.250 551 C CA -0.229 58.801 59.018 0.019 0.000 2.131 551 C CB 0.039 27.811 27.740 0.054 0.000 2.445 551 C HN 0.887 nan 8.230 nan 0.000 0.550 552 E N 2.436 122.657 120.200 0.035 0.000 2.583 552 E HA 0.150 4.403 4.350 -0.161 0.000 0.213 552 E C 1.499 178.117 176.600 0.029 0.000 0.989 552 E CA 0.244 56.656 56.400 0.020 0.000 0.991 552 E CB 0.459 30.155 29.700 -0.006 0.000 1.040 552 E HN 0.800 nan 8.360 nan 0.000 0.481 553 A N 2.025 124.890 122.820 0.074 0.000 1.892 553 A HA -0.233 3.990 4.320 -0.161 0.000 0.218 553 A C 0.771 178.365 177.584 0.016 0.000 1.188 553 A CA 1.029 53.094 52.037 0.048 0.000 0.631 553 A CB -0.507 18.549 19.000 0.093 0.000 0.822 553 A HN 0.343 nan 8.150 nan 0.000 0.447 554 N N -0.443 118.273 118.700 0.027 0.000 2.691 554 N HA -0.111 4.532 4.740 -0.161 0.000 0.277 554 N C -2.604 172.914 175.510 0.015 0.000 1.029 554 N CA 1.201 54.262 53.050 0.018 0.000 0.798 554 N CB -1.575 36.920 38.487 0.012 0.000 0.922 554 N HN 0.428 nan 8.380 nan 0.000 0.562 555 P HA 0.180 nan 4.420 nan 0.000 0.272 555 P C -0.113 177.198 177.300 0.018 0.000 1.223 555 P CA -0.142 62.972 63.100 0.025 0.000 0.784 555 P CB 0.741 32.458 31.700 0.028 0.000 0.923 556 S N 0.192 115.904 115.700 0.020 0.000 2.562 556 S HA 0.247 4.620 4.470 -0.161 0.000 0.275 556 S C 1.371 175.980 174.600 0.015 0.000 1.281 556 S CA -0.263 57.947 58.200 0.016 0.000 1.045 556 S CB 0.598 63.809 63.200 0.018 0.000 0.962 556 S HN 0.631 nan 8.310 nan 0.000 0.503 557 T N -0.487 114.074 114.554 0.011 0.000 3.044 557 T HA 0.022 4.275 4.350 -0.161 0.000 0.255 557 T C 1.037 175.741 174.700 0.008 0.000 1.073 557 T CA 0.442 62.547 62.100 0.009 0.000 1.125 557 T CB -0.362 68.509 68.868 0.006 0.000 0.908 557 T HN 0.450 nan 8.240 nan 0.000 0.480 558 D N 2.377 122.781 120.400 0.006 0.000 2.380 558 D HA -0.135 4.409 4.640 -0.161 0.000 0.198 558 D C 1.305 177.606 176.300 0.001 0.000 1.027 558 D CA 1.597 55.598 54.000 0.002 0.000 0.880 558 D CB 0.045 40.847 40.800 0.003 0.000 1.064 558 D HN 0.526 nan 8.370 nan 0.000 0.465 559 R N -0.069 120.434 120.500 0.006 0.000 2.527 559 R HA 0.480 4.723 4.340 -0.161 0.000 0.243 559 R C -0.086 176.229 176.300 0.026 0.000 1.206 559 R CA -0.595 55.508 56.100 0.006 0.000 1.134 559 R CB 0.316 30.619 30.300 0.004 0.000 1.347 559 R HN 0.137 nan 8.270 nan 0.000 0.580 560 E N 1.169 121.392 120.200 0.039 0.000 2.167 560 E HA 0.162 4.415 4.350 -0.161 0.000 0.284 560 E C -0.953 175.757 176.600 0.183 0.000 1.016 560 E CA -0.344 56.118 56.400 0.104 0.000 0.817 560 E CB 1.369 31.143 29.700 0.123 0.000 1.080 560 E HN 0.198 nan 8.360 nan 0.000 0.397 561 K N 2.728 123.207 120.400 0.133 0.000 2.221 561 K HA 0.484 4.707 4.320 -0.161 0.000 0.258 561 K C -0.593 176.040 176.600 0.055 0.000 0.944 561 K CA -0.672 55.677 56.287 0.103 0.000 0.823 561 K CB 1.635 34.170 32.500 0.059 0.000 1.113 561 K HN 0.299 nan 8.250 nan 0.000 0.431 562 I N 3.358 123.935 120.570 0.011 0.000 2.389 562 I HA 0.298 4.371 4.170 -0.161 0.000 0.288 562 I C -0.549 175.532 176.117 -0.059 0.000 0.999 562 I CA -0.552 60.696 61.300 -0.087 0.000 1.129 562 I CB 1.486 39.340 38.000 -0.244 0.000 1.288 562 I HN 0.695 nan 8.210 nan 0.000 0.444 563 M N 6.499 126.062 119.600 -0.061 0.000 2.264 563 M HA 0.483 4.866 4.480 -0.161 0.000 0.352 563 M C -1.133 175.129 176.300 -0.064 0.000 1.173 563 M CA -0.509 54.763 55.300 -0.045 0.000 1.075 563 M CB 1.448 34.019 32.600 -0.049 0.000 1.621 563 M HN 0.278 nan 8.290 nan 0.000 0.457 564 V N 6.397 126.285 119.914 -0.043 0.000 2.378 564 V HA 0.387 4.410 4.120 -0.161 0.000 0.288 564 V C -0.257 175.829 176.094 -0.014 0.000 1.016 564 V CA -0.777 61.499 62.300 -0.041 0.000 0.840 564 V CB 1.372 33.180 31.823 -0.024 0.000 0.994 564 V HN 0.754 nan 8.190 nan 0.000 0.431 565 L N 4.604 125.819 121.223 -0.013 0.000 2.276 565 L HA 0.578 4.821 4.340 -0.161 0.000 0.286 565 L C 1.078 177.953 176.870 0.008 0.000 1.061 565 L CA 0.040 54.874 54.840 -0.010 0.000 0.807 565 L CB 1.158 43.206 42.059 -0.018 0.000 1.177 565 L HN 0.783 nan 8.230 nan 0.000 0.429 566 G N 1.502 110.297 108.800 -0.008 0.000 2.588 566 G HA2 0.366 4.229 3.960 -0.161 0.000 0.281 566 G HA3 0.366 4.229 3.960 -0.161 0.000 0.281 566 G C 0.780 175.666 174.900 -0.023 0.000 1.236 566 G CA -0.067 45.031 45.100 -0.003 0.000 0.969 566 G HN 0.775 nan 8.290 nan 0.000 0.504 567 G N -1.470 107.319 108.800 -0.019 0.000 3.189 567 G HA2 0.501 4.364 3.960 -0.161 0.000 0.225 567 G HA3 0.501 4.364 3.960 -0.161 0.000 0.225 567 G C 1.044 175.913 174.900 -0.051 0.000 1.159 567 G CA 0.871 45.941 45.100 -0.050 0.000 0.763 567 G HN 1.772 nan 8.290 nan 0.000 0.549 568 G N 0.735 109.500 108.800 -0.058 0.000 2.601 568 G HA2 -0.204 3.660 3.960 -0.161 0.000 0.252 568 G HA3 -0.204 3.660 3.960 -0.161 0.000 0.252 568 G C -2.332 172.543 174.900 -0.042 0.000 1.294 568 G CA -0.315 44.750 45.100 -0.059 0.000 0.912 568 G HN 0.347 nan 8.290 nan 0.000 0.574 569 P HA 0.144 nan 4.420 nan 0.000 0.267 569 P C -0.092 177.197 177.300 -0.018 0.000 1.200 569 P CA 0.161 63.246 63.100 -0.024 0.000 0.772 569 P CB 0.151 31.838 31.700 -0.021 0.000 0.855 570 N N 2.114 120.804 118.700 -0.017 0.000 2.530 570 N HA 0.324 4.967 4.740 -0.161 0.000 0.273 570 N C 0.088 175.590 175.510 -0.013 0.000 1.173 570 N CA -0.273 52.776 53.050 -0.001 0.000 0.967 570 N CB 0.452 38.941 38.487 0.003 0.000 1.109 570 N HN 0.355 nan 8.380 nan 0.000 0.453 571 R N 0.964 121.467 120.500 0.005 0.000 2.795 571 R HA 0.478 4.721 4.340 -0.161 0.000 0.268 571 R C -1.141 175.171 176.300 0.020 0.000 1.041 571 R CA -0.887 55.215 56.100 0.003 0.000 0.927 571 R CB 0.286 30.585 30.300 -0.001 0.000 1.235 571 R HN 0.333 nan 8.270 nan 0.000 0.463 572 I N 1.791 122.374 120.570 0.021 0.000 2.668 572 I HA 0.220 4.293 4.170 -0.161 0.000 0.285 572 I C 1.068 177.185 176.117 0.000 0.000 1.168 572 I CA 1.707 63.018 61.300 0.018 0.000 1.424 572 I CB 0.514 38.535 38.000 0.034 0.000 1.377 572 I HN 0.981 nan 8.210 nan 0.000 0.560 573 G N 4.750 113.559 108.800 0.016 0.000 2.176 573 G HA2 -0.240 3.623 3.960 -0.161 0.000 0.253 573 G HA3 -0.240 3.623 3.960 -0.161 0.000 0.253 573 G C 0.280 175.276 174.900 0.160 0.000 0.979 573 G CA -0.321 44.807 45.100 0.047 0.000 0.641 573 G HN 0.608 nan 8.290 nan 0.000 0.530 574 Q N 0.011 119.904 119.800 0.155 0.000 3.825 574 Q HA 0.466 4.709 4.340 -0.161 0.000 0.218 574 Q C 0.600 176.733 176.000 0.221 0.000 0.882 574 Q CA 0.266 56.209 55.803 0.234 0.000 0.766 574 Q CB 0.931 29.688 28.738 0.031 0.000 1.497 574 Q HN 0.503 nan 8.270 nan 0.000 0.428 575 G N 0.359 109.307 108.800 0.246 0.000 2.940 575 G HA2 0.292 4.155 3.960 -0.161 0.000 0.164 575 G HA3 0.292 4.155 3.960 -0.161 0.000 0.164 575 G C 0.679 175.655 174.900 0.126 0.000 1.326 575 G CA -0.439 44.736 45.100 0.125 0.000 1.020 575 G HN 0.443 nan 8.290 nan 0.000 0.586 576 I N 0.258 120.855 120.570 0.046 0.000 2.454 576 I HA -0.124 3.949 4.170 -0.161 0.000 0.254 576 I C 2.513 178.632 176.117 0.003 0.000 1.156 576 I CA 1.401 62.725 61.300 0.040 0.000 1.433 576 I CB -0.131 37.886 38.000 0.028 0.000 1.082 576 I HN 0.503 nan 8.210 nan 0.000 0.432 577 E N 0.684 120.806 120.200 -0.131 0.000 2.097 577 E HA -0.258 3.995 4.350 -0.161 0.000 0.196 577 E C 1.825 178.237 176.600 -0.314 0.000 1.000 577 E CA 1.826 58.026 56.400 -0.334 0.000 0.804 577 E CB -0.393 28.951 29.700 -0.595 0.000 0.740 577 E HN 0.505 nan 8.360 nan 0.000 0.454 578 F N 0.171 120.121 119.950 -0.001 0.000 2.293 578 F HA -0.016 4.411 4.527 -0.166 0.000 0.297 578 F C 2.023 177.844 175.800 0.034 0.000 1.089 578 F CA 1.131 59.132 58.000 0.001 0.000 1.377 578 F CB -0.328 38.671 39.000 -0.001 0.000 1.051 578 F HN 0.001 nan 8.300 nan 0.000 0.511 579 D N -1.089 119.422 120.400 0.185 0.000 2.183 579 D HA -0.243 4.300 4.640 -0.161 0.000 0.203 579 D C 2.152 178.516 176.300 0.106 0.000 0.969 579 D CA 0.786 54.864 54.000 0.130 0.000 0.842 579 D CB -0.244 40.614 40.800 0.097 0.000 0.957 579 D HN 0.299 nan 8.370 nan 0.000 0.484 580 Y N 0.492 120.754 120.300 -0.064 0.000 2.165 580 Y HA -0.254 4.200 4.550 -0.161 0.000 0.286 580 Y C 2.125 177.909 175.900 -0.194 0.000 1.155 580 Y CA 1.551 59.555 58.100 -0.159 0.000 1.164 580 Y CB -0.507 37.821 38.460 -0.221 0.000 0.978 580 Y HN 0.143 nan 8.280 nan 0.000 0.513 581 C N -0.433 118.908 119.300 0.068 0.000 2.413 581 C HA -0.263 4.100 4.460 -0.161 0.000 0.278 581 C C 2.958 178.076 174.990 0.213 0.000 1.224 581 C CA 1.208 60.226 59.018 0.001 0.000 1.732 581 C CB -1.663 25.923 27.740 -0.257 0.000 2.050 581 C HN 0.794 nan 8.230 nan 0.000 0.463 582 C N 0.592 120.041 119.300 0.247 0.000 2.391 582 C HA -0.124 4.239 4.460 -0.161 0.000 0.276 582 C C 2.704 177.782 174.990 0.146 0.000 1.217 582 C CA 1.201 60.365 59.018 0.243 0.000 1.766 582 C CB -1.548 26.287 27.740 0.159 0.000 2.046 582 C HN 0.565 nan 8.230 nan 0.000 0.475 583 V N -0.300 119.659 119.914 0.075 0.000 2.407 583 V HA -0.254 3.769 4.120 -0.161 0.000 0.248 583 V C 2.299 178.458 176.094 0.109 0.000 1.055 583 V CA 2.067 64.397 62.300 0.050 0.000 1.049 583 V CB -0.910 30.904 31.823 -0.015 0.000 0.662 583 V HN 0.680 nan 8.190 nan 0.000 0.455 584 H N -0.368 118.649 119.070 -0.089 0.000 2.357 584 H HA -0.077 4.383 4.556 -0.160 0.000 0.301 584 H C 2.358 177.711 175.328 0.042 0.000 1.082 584 H CA 1.124 57.132 56.048 -0.066 0.000 1.342 584 H CB 0.089 29.782 29.762 -0.115 0.000 1.389 584 H HN 0.474 nan 8.280 nan 0.000 0.511 585 A N 0.171 123.143 122.820 0.253 0.000 1.933 585 A HA -0.185 4.038 4.320 -0.161 0.000 0.218 585 A C 2.525 180.123 177.584 0.025 0.000 1.175 585 A CA 1.686 53.788 52.037 0.108 0.000 0.628 585 A CB -0.581 18.399 19.000 -0.033 0.000 0.814 585 A HN 0.355 nan 8.150 nan 0.000 0.444 586 S N -0.752 114.977 115.700 0.048 0.000 2.338 586 S HA -0.107 4.266 4.470 -0.161 0.000 0.218 586 S C 1.886 176.497 174.600 0.019 0.000 1.032 586 S CA 1.437 59.651 58.200 0.023 0.000 0.999 586 S CB -0.438 62.779 63.200 0.029 0.000 0.905 586 S HN 0.293 nan 8.310 nan 0.000 0.439 587 L N 1.927 123.157 121.223 0.012 0.000 2.021 587 L HA -0.097 4.146 4.340 -0.161 0.000 0.215 587 L C 2.792 179.652 176.870 -0.017 0.000 1.074 587 L CA 2.129 56.960 54.840 -0.016 0.000 0.760 587 L CB -1.379 40.642 42.059 -0.063 0.000 0.889 587 L HN 0.438 nan 8.230 nan 0.000 0.433 588 A N -0.993 121.816 122.820 -0.020 0.000 1.858 588 A HA -0.159 4.065 4.320 -0.161 0.000 0.216 588 A C 2.246 179.855 177.584 0.042 0.000 1.190 588 A CA 1.658 53.692 52.037 -0.005 0.000 0.617 588 A CB -0.834 18.165 19.000 -0.002 0.000 0.827 588 A HN 0.385 nan 8.150 nan 0.000 0.443 589 L N -1.314 119.938 121.223 0.047 0.000 2.265 589 L HA -0.135 4.108 4.340 -0.161 0.000 0.215 589 L C 2.779 179.781 176.870 0.220 0.000 1.117 589 L CA 1.251 56.166 54.840 0.126 0.000 0.782 589 L CB -0.465 41.568 42.059 -0.043 0.000 0.914 589 L HN 0.448 nan 8.230 nan 0.000 0.441 590 R N 0.476 121.043 120.500 0.111 0.000 2.057 590 R HA -0.190 4.053 4.340 -0.161 0.000 0.229 590 R C 2.218 178.556 176.300 0.063 0.000 1.136 590 R CA 1.406 57.559 56.100 0.088 0.000 0.952 590 R CB -0.011 30.318 30.300 0.049 0.000 0.848 590 R HN 0.162 nan 8.270 nan 0.000 0.430 591 E N 0.584 120.811 120.200 0.044 0.000 2.171 591 E HA -0.214 4.040 4.350 -0.161 0.000 0.197 591 E C 0.887 177.503 176.600 0.027 0.000 0.997 591 E CA 1.940 58.355 56.400 0.024 0.000 0.810 591 E CB -0.041 29.667 29.700 0.013 0.000 0.738 591 E HN 0.291 nan 8.360 nan 0.000 0.467 592 D N -1.559 118.879 120.400 0.063 0.000 2.347 592 D HA 0.105 4.648 4.640 -0.161 0.000 0.215 592 D C 0.992 177.268 176.300 -0.039 0.000 0.976 592 D CA 1.104 55.139 54.000 0.058 0.000 0.884 592 D CB 0.398 41.313 40.800 0.192 0.000 0.915 592 D HN 0.342 nan 8.370 nan 0.000 0.526 593 G N -0.684 108.109 108.800 -0.011 0.000 2.131 593 G HA2 -0.276 3.587 3.960 -0.161 0.000 0.223 593 G HA3 -0.276 3.587 3.960 -0.161 0.000 0.223 593 G C -0.157 174.682 174.900 -0.102 0.000 0.990 593 G CA -0.436 44.622 45.100 -0.070 0.000 0.671 593 G HN 0.263 nan 8.290 nan 0.000 0.521 594 Y N 0.539 120.836 120.300 -0.006 0.000 2.301 594 Y HA 0.481 4.935 4.550 -0.160 0.000 0.328 594 Y C 0.976 176.874 175.900 -0.002 0.000 1.242 594 Y CA -0.160 57.937 58.100 -0.005 0.000 1.323 594 Y CB 0.815 39.269 38.460 -0.010 0.000 1.266 594 Y HN 0.226 nan 8.280 nan 0.000 0.527 595 E N 1.794 122.111 120.200 0.195 0.000 2.152 595 E HA 0.157 4.410 4.350 -0.161 0.000 0.285 595 E C -0.831 175.832 176.600 0.105 0.000 1.043 595 E CA -0.517 55.951 56.400 0.113 0.000 0.839 595 E CB 0.471 30.215 29.700 0.075 0.000 1.069 595 E HN 0.656 nan 8.360 nan 0.000 0.399 596 T N 2.454 117.056 114.554 0.080 0.000 2.837 596 T HA 0.518 4.771 4.350 -0.161 0.000 0.285 596 T C 0.144 174.876 174.700 0.053 0.000 0.984 596 T CA -0.738 61.394 62.100 0.053 0.000 1.049 596 T CB 0.606 69.497 68.868 0.037 0.000 0.947 596 T HN 0.352 nan 8.240 nan 0.000 0.472 597 I N 3.588 124.190 120.570 0.053 0.000 2.448 597 I HA 0.321 4.394 4.170 -0.161 0.000 0.281 597 I C -0.350 175.817 176.117 0.084 0.000 1.027 597 I CA -0.941 60.415 61.300 0.093 0.000 1.111 597 I CB 1.795 39.871 38.000 0.125 0.000 1.236 597 I HN 0.595 nan 8.210 nan 0.000 0.452 598 M N 7.865 127.515 119.600 0.085 0.000 2.216 598 M HA 0.446 4.829 4.480 -0.161 0.000 0.356 598 M C -1.183 175.171 176.300 0.089 0.000 1.205 598 M CA -0.106 55.229 55.300 0.058 0.000 1.122 598 M CB 1.266 33.881 32.600 0.025 0.000 1.571 598 M HN 0.280 nan 8.290 nan 0.000 0.464 599 V N 5.885 125.822 119.914 0.038 0.000 2.349 599 V HA 0.653 4.676 4.120 -0.161 0.000 0.284 599 V C -0.613 175.450 176.094 -0.051 0.000 1.014 599 V CA -0.567 61.748 62.300 0.026 0.000 0.826 599 V CB 0.907 32.731 31.823 0.001 0.000 1.009 599 V HN 0.952 nan 8.190 nan 0.000 0.431 600 N N 2.721 121.337 118.700 -0.140 0.000 3.127 600 N HA 0.400 5.043 4.740 -0.161 0.000 0.239 600 N C -0.199 174.967 175.510 -0.574 0.000 1.407 600 N CA -0.192 52.709 53.050 -0.248 0.000 0.891 600 N CB 1.842 40.216 38.487 -0.189 0.000 1.447 600 N HN 0.588 nan 8.380 nan 0.000 0.507 601 C N -0.355 118.632 119.300 -0.522 0.000 3.386 601 C HA 0.521 4.884 4.460 -0.161 0.000 0.279 601 C C 0.274 175.072 174.990 -0.319 0.000 1.508 601 C CA -0.930 57.657 59.018 -0.719 0.000 1.801 601 C CB -1.540 26.084 27.740 -0.193 0.000 2.798 601 C HN 0.590 nan 8.230 nan 0.000 0.605 602 N N 3.117 121.668 118.700 -0.249 0.000 2.422 602 N HA 0.314 4.958 4.740 -0.161 0.000 0.264 602 N C -1.410 174.119 175.510 0.031 0.000 1.063 602 N CA -1.911 51.105 53.050 -0.055 0.000 0.959 602 N CB 1.740 40.187 38.487 -0.068 0.000 1.087 602 N HN 0.222 nan 8.380 nan 0.000 0.483 603 P HA 0.029 nan 4.420 nan 0.000 0.230 603 P C -0.058 177.152 177.300 -0.151 0.000 1.168 603 P CA 0.838 64.013 63.100 0.126 0.000 0.793 603 P CB 0.277 32.048 31.700 0.117 0.000 0.851 604 E N 0.372 120.497 120.200 -0.125 0.000 2.512 604 E HA 0.019 4.272 4.350 -0.161 0.000 0.195 604 E C 0.515 177.035 176.600 -0.132 0.000 1.083 604 E CA 0.302 56.607 56.400 -0.159 0.000 0.873 604 E CB -0.533 29.112 29.700 -0.091 0.000 0.897 604 E HN 0.330 nan 8.360 nan 0.000 0.514 605 T N -3.149 111.310 114.554 -0.157 0.000 2.945 605 T HA 0.282 4.535 4.350 -0.161 0.000 0.286 605 T C 1.114 175.819 174.700 0.009 0.000 1.025 605 T CA -0.867 61.206 62.100 -0.046 0.000 1.039 605 T CB 2.031 70.885 68.868 -0.024 0.000 1.068 605 T HN -0.173 nan 8.240 nan 0.000 0.497 606 V N 1.908 121.898 119.914 0.127 0.000 2.667 606 V HA -0.114 3.910 4.120 -0.161 0.000 0.252 606 V C 3.006 179.140 176.094 0.067 0.000 1.065 606 V CA 2.046 64.445 62.300 0.166 0.000 1.083 606 V CB -0.817 31.078 31.823 0.121 0.000 0.692 606 V HN 1.105 nan 8.190 nan 0.000 0.468 607 S N 1.184 116.902 115.700 0.030 0.000 2.399 607 S HA -0.197 4.176 4.470 -0.161 0.000 0.231 607 S C 1.835 176.418 174.600 -0.029 0.000 1.022 607 S CA 1.814 60.016 58.200 0.003 0.000 0.983 607 S CB -0.774 62.427 63.200 0.003 0.000 0.803 607 S HN 0.710 nan 8.310 nan 0.000 0.480 608 T N -1.346 113.180 114.554 -0.045 0.000 3.219 608 T HA 0.219 4.472 4.350 -0.161 0.000 0.249 608 T C 0.084 174.758 174.700 -0.042 0.000 1.099 608 T CA -0.304 61.773 62.100 -0.038 0.000 0.988 608 T CB -0.328 68.554 68.868 0.024 0.000 0.999 608 T HN 0.233 nan 8.240 nan 0.000 0.550 609 D N 1.415 121.795 120.400 -0.032 0.000 2.304 609 D HA 0.139 4.682 4.640 -0.161 0.000 0.250 609 D C 0.889 177.107 176.300 -0.136 0.000 1.107 609 D CA -0.728 53.230 54.000 -0.070 0.000 0.885 609 D CB 0.940 41.743 40.800 0.005 0.000 1.192 609 D HN 0.455 nan 8.370 nan 0.000 0.436 610 Y N 1.092 121.352 120.300 -0.067 0.000 2.497 610 Y HA 0.008 4.461 4.550 -0.161 0.000 0.292 610 Y C 1.432 177.325 175.900 -0.012 0.000 1.137 610 Y CA 0.260 58.311 58.100 -0.081 0.000 1.285 610 Y CB -0.144 38.291 38.460 -0.042 0.000 0.991 610 Y HN 0.225 nan 8.280 nan 0.000 0.556 611 D N 0.697 120.990 120.400 -0.179 0.000 2.123 611 D HA -0.109 4.434 4.640 -0.161 0.000 0.200 611 D C 1.877 178.161 176.300 -0.027 0.000 0.976 611 D CA 1.852 55.797 54.000 -0.092 0.000 0.831 611 D CB -0.126 40.540 40.800 -0.223 0.000 0.974 611 D HN 0.448 nan 8.370 nan 0.000 0.469 612 T N 0.262 114.791 114.554 -0.041 0.000 2.759 612 T HA -0.075 4.179 4.350 -0.161 0.000 0.269 612 T C 1.208 175.914 174.700 0.010 0.000 1.042 612 T CA 0.996 63.089 62.100 -0.012 0.000 1.140 612 T CB 0.024 68.886 68.868 -0.010 0.000 0.864 612 T HN 0.160 nan 8.240 nan 0.000 0.455 613 S N 0.081 115.793 115.700 0.020 0.000 2.632 613 S HA 0.452 4.826 4.470 -0.161 0.000 0.289 613 S C 0.053 174.679 174.600 0.043 0.000 1.115 613 S CA -1.012 57.207 58.200 0.031 0.000 0.889 613 S CB 2.022 65.239 63.200 0.028 0.000 1.116 613 S HN -0.056 nan 8.310 nan 0.000 0.486 614 D N 0.882 121.307 120.400 0.042 0.000 2.084 614 D HA 0.001 4.544 4.640 -0.161 0.000 0.196 614 D C 0.260 176.577 176.300 0.029 0.000 0.985 614 D CA 1.342 55.366 54.000 0.041 0.000 0.826 614 D CB 0.072 40.896 40.800 0.041 0.000 0.978 614 D HN 0.477 nan 8.370 nan 0.000 0.456 615 R N 0.082 120.595 120.500 0.021 0.000 2.480 615 R HA 0.494 4.737 4.340 -0.161 0.000 0.306 615 R C -1.018 175.269 176.300 -0.021 0.000 0.958 615 R CA -0.764 55.319 56.100 -0.029 0.000 0.861 615 R CB 2.240 32.520 30.300 -0.032 0.000 1.171 615 R HN -0.052 nan 8.270 nan 0.000 0.445 616 L N 3.215 124.395 121.223 -0.072 0.000 2.325 616 L HA 0.431 4.675 4.340 -0.161 0.000 0.281 616 L C -1.667 175.175 176.870 -0.046 0.000 1.004 616 L CA -0.555 54.277 54.840 -0.013 0.000 0.823 616 L CB 0.957 42.998 42.059 -0.029 0.000 1.236 616 L HN 0.503 nan 8.230 nan 0.000 0.415 617 Y N 5.304 125.661 120.300 0.095 0.000 2.417 617 Y HA 0.335 4.788 4.550 -0.162 0.000 0.336 617 Y C -0.442 175.572 175.900 0.190 0.000 0.961 617 Y CA -0.132 58.050 58.100 0.138 0.000 1.215 617 Y CB 1.067 39.542 38.460 0.026 0.000 1.120 617 Y HN 0.547 nan 8.280 nan 0.000 0.499 618 F N 5.084 125.235 119.950 0.334 0.000 2.567 618 F HA 0.281 4.711 4.527 -0.161 0.000 0.352 618 F C -0.138 175.809 175.800 0.245 0.000 1.229 618 F CA -0.246 57.922 58.000 0.281 0.000 1.228 618 F CB -0.302 38.930 39.000 0.386 0.000 1.568 618 F HN 0.429 nan 8.300 nan 0.000 0.634 619 E N 4.040 124.347 120.200 0.178 0.000 2.429 619 E HA 0.365 4.618 4.350 -0.161 0.000 0.276 619 E C -2.807 173.824 176.600 0.051 0.000 0.953 619 E CA -2.356 54.151 56.400 0.178 0.000 0.787 619 E CB 1.434 31.265 29.700 0.219 0.000 1.307 619 E HN 0.064 nan 8.360 nan 0.000 0.458 620 P HA 0.069 nan 4.420 nan 0.000 0.271 620 P C 0.073 177.385 177.300 0.020 0.000 1.226 620 P CA -0.222 62.902 63.100 0.039 0.000 0.765 620 P CB 0.354 32.087 31.700 0.055 0.000 0.835 621 V N 4.350 124.258 119.914 -0.009 0.000 2.157 621 V HA 0.091 4.114 4.120 -0.161 0.000 0.241 621 V C 1.062 177.149 176.094 -0.011 0.000 1.349 621 V CA 0.556 62.845 62.300 -0.018 0.000 1.319 621 V CB -1.575 30.227 31.823 -0.036 0.000 1.421 621 V HN 0.703 nan 8.190 nan 0.000 0.501 622 T N 0.084 114.639 114.554 0.002 0.000 2.907 622 T HA 0.535 4.788 4.350 -0.161 0.000 0.290 622 T C 0.631 175.332 174.700 0.002 0.000 1.066 622 T CA -0.723 61.379 62.100 0.003 0.000 1.012 622 T CB 2.010 70.889 68.868 0.019 0.000 1.184 622 T HN 0.090 nan 8.240 nan 0.000 0.522 623 L N 0.782 122.004 121.223 -0.001 0.000 2.017 623 L HA 0.060 4.303 4.340 -0.161 0.000 0.208 623 L C 2.603 179.482 176.870 0.016 0.000 1.073 623 L CA 2.325 57.164 54.840 -0.001 0.000 0.745 623 L CB -0.935 41.120 42.059 -0.006 0.000 0.894 623 L HN 0.993 nan 8.230 nan 0.000 0.432 624 E N -0.642 119.576 120.200 0.030 0.000 2.023 624 E HA -0.267 3.986 4.350 -0.161 0.000 0.196 624 E C 1.759 178.401 176.600 0.069 0.000 1.003 624 E CA 1.774 58.207 56.400 0.054 0.000 0.809 624 E CB -0.218 29.520 29.700 0.064 0.000 0.755 624 E HN 0.592 nan 8.360 nan 0.000 0.449 625 D N 0.142 120.583 120.400 0.068 0.000 2.149 625 D HA -0.150 4.394 4.640 -0.161 0.000 0.198 625 D C 2.115 178.439 176.300 0.039 0.000 0.990 625 D CA 1.086 55.136 54.000 0.083 0.000 0.839 625 D CB -0.028 40.827 40.800 0.091 0.000 0.948 625 D HN 0.166 nan 8.370 nan 0.000 0.460 626 V N 1.267 121.184 119.914 0.005 0.000 2.379 626 V HA -0.162 3.861 4.120 -0.161 0.000 0.245 626 V C 2.655 178.722 176.094 -0.046 0.000 1.044 626 V CA 0.826 63.101 62.300 -0.041 0.000 1.036 626 V CB -0.353 31.447 31.823 -0.038 0.000 0.664 626 V HN 0.155 nan 8.190 nan 0.000 0.453 627 L N -0.385 120.835 121.223 -0.006 0.000 2.079 627 L HA -0.160 4.084 4.340 -0.161 0.000 0.210 627 L C 2.704 179.583 176.870 0.016 0.000 1.081 627 L CA 1.332 56.175 54.840 0.004 0.000 0.752 627 L CB -0.694 41.381 42.059 0.026 0.000 0.896 627 L HN 0.312 nan 8.230 nan 0.000 0.433 628 E N 0.335 120.570 120.200 0.057 0.000 2.110 628 E HA -0.172 4.081 4.350 -0.161 0.000 0.193 628 E C 2.252 178.868 176.600 0.027 0.000 0.988 628 E CA 1.256 57.720 56.400 0.107 0.000 0.804 628 E CB -0.153 29.670 29.700 0.205 0.000 0.745 628 E HN 0.561 nan 8.360 nan 0.000 0.458 629 I N 0.130 120.632 120.570 -0.113 0.000 2.233 629 I HA -0.194 3.879 4.170 -0.161 0.000 0.243 629 I C 2.445 178.406 176.117 -0.260 0.000 1.093 629 I CA 0.488 61.554 61.300 -0.390 0.000 1.380 629 I CB -0.256 37.359 38.000 -0.641 0.000 1.067 629 I HN -0.090 nan 8.210 nan 0.000 0.413 630 V N 1.067 120.884 119.914 -0.162 0.000 2.332 630 V HA -0.317 3.706 4.120 -0.161 0.000 0.248 630 V C 2.693 178.741 176.094 -0.077 0.000 1.055 630 V CA 1.983 64.219 62.300 -0.106 0.000 1.038 630 V CB -0.719 31.062 31.823 -0.071 0.000 0.651 630 V HN 0.410 nan 8.190 nan 0.000 0.450 631 R N 0.136 120.598 120.500 -0.064 0.000 2.117 631 R HA -0.201 4.042 4.340 -0.161 0.000 0.243 631 R C 2.183 178.447 176.300 -0.060 0.000 1.143 631 R CA 2.402 58.468 56.100 -0.056 0.000 0.968 631 R CB -0.262 30.004 30.300 -0.056 0.000 0.863 631 R HN 0.763 nan 8.270 nan 0.000 0.444 632 I N -2.906 117.627 120.570 -0.063 0.000 3.339 632 I HA 0.099 4.172 4.170 -0.161 0.000 0.285 632 I C 1.350 177.446 176.117 -0.035 0.000 1.201 632 I CA 0.368 61.643 61.300 -0.042 0.000 1.434 632 I CB 0.035 38.027 38.000 -0.013 0.000 1.152 632 I HN -0.095 nan 8.210 nan 0.000 0.443 633 E N 2.493 122.657 120.200 -0.060 0.000 2.112 633 E HA -0.058 4.195 4.350 -0.161 0.000 0.190 633 E C 0.111 176.699 176.600 -0.020 0.000 0.979 633 E CA 0.527 56.908 56.400 -0.031 0.000 0.814 633 E CB -0.165 29.506 29.700 -0.048 0.000 0.762 633 E HN 0.530 nan 8.360 nan 0.000 0.460 634 K N 1.085 121.465 120.400 -0.032 0.000 3.730 634 K HA -0.151 4.072 4.320 -0.161 0.000 0.276 634 K C -2.353 174.242 176.600 -0.009 0.000 0.904 634 K CA 0.330 56.605 56.287 -0.021 0.000 0.741 634 K CB -1.951 30.541 32.500 -0.014 0.000 1.542 634 K HN 0.177 nan 8.250 nan 0.000 0.446 635 P HA 0.048 nan 4.420 nan 0.000 0.272 635 P C 0.757 178.060 177.300 0.005 0.000 1.240 635 P CA -0.331 62.768 63.100 -0.002 0.000 0.791 635 P CB 0.870 32.558 31.700 -0.020 0.000 0.978 636 K N 0.029 120.443 120.400 0.022 0.000 2.062 636 K HA 0.053 4.276 4.320 -0.161 0.000 0.205 636 K C 0.886 177.485 176.600 -0.001 0.000 1.051 636 K CA 1.337 57.643 56.287 0.031 0.000 0.941 636 K CB -0.320 32.233 32.500 0.088 0.000 0.719 636 K HN 0.724 nan 8.250 nan 0.000 0.440 637 G N -0.941 107.840 108.800 -0.031 0.000 2.649 637 G HA2 0.480 4.343 3.960 -0.161 0.000 0.290 637 G HA3 0.480 4.343 3.960 -0.161 0.000 0.290 637 G C -1.883 172.974 174.900 -0.071 0.000 1.426 637 G CA -0.674 44.393 45.100 -0.055 0.000 0.794 637 G HN -0.058 nan 8.290 nan 0.000 0.483 638 V N 0.984 120.855 119.914 -0.071 0.000 2.524 638 V HA 0.382 4.405 4.120 -0.161 0.000 0.297 638 V C -0.276 175.770 176.094 -0.081 0.000 1.035 638 V CA -0.466 61.790 62.300 -0.072 0.000 0.867 638 V CB 1.450 33.240 31.823 -0.054 0.000 1.004 638 V HN 0.653 nan 8.190 nan 0.000 0.426 639 I N 5.305 125.811 120.570 -0.106 0.000 2.352 639 I HA 0.203 4.276 4.170 -0.161 0.000 0.290 639 I C 0.924 177.003 176.117 -0.063 0.000 1.036 639 I CA -0.048 61.178 61.300 -0.124 0.000 1.336 639 I CB 1.637 39.497 38.000 -0.233 0.000 1.407 639 I HN 0.624 nan 8.210 nan 0.000 0.497 640 V N 2.261 122.159 119.914 -0.027 0.000 3.380 640 V HA 0.193 4.216 4.120 -0.161 0.000 0.307 640 V C 0.915 177.038 176.094 0.048 0.000 1.434 640 V CA 0.126 62.429 62.300 0.006 0.000 1.075 640 V CB 0.103 31.927 31.823 0.000 0.000 0.954 640 V HN 0.773 nan 8.190 nan 0.000 0.444 641 Q N -0.904 118.953 119.800 0.096 0.000 2.319 641 Q HA 0.338 4.581 4.340 -0.161 0.000 0.202 641 Q C 0.899 177.134 176.000 0.391 0.000 0.896 641 Q CA 0.462 56.382 55.803 0.195 0.000 0.942 641 Q CB 0.117 28.975 28.738 0.200 0.000 1.083 641 Q HN 0.721 nan 8.270 nan 0.000 0.510 642 Y N -0.931 119.402 120.300 0.055 0.000 2.555 642 Y HA 0.453 4.907 4.550 -0.161 0.000 0.259 642 Y C 1.279 177.262 175.900 0.138 0.000 1.179 642 Y CA -0.625 57.546 58.100 0.119 0.000 1.230 642 Y CB 0.894 39.410 38.460 0.092 0.000 1.146 642 Y HN 0.062 nan 8.280 nan 0.000 0.526 643 G N -1.164 107.720 108.800 0.142 0.000 3.969 643 G HA2 0.465 4.329 3.960 -0.161 0.000 0.291 643 G HA3 0.465 4.329 3.960 -0.161 0.000 0.291 643 G C 0.743 175.457 174.900 -0.311 0.000 1.016 643 G CA 0.165 45.269 45.100 0.007 0.000 0.819 643 G HN 0.522 nan 8.290 nan 0.000 0.493 644 G N 0.431 108.863 108.800 -0.613 0.000 2.593 644 G HA2 -0.271 3.592 3.960 -0.161 0.000 0.237 644 G HA3 -0.271 3.592 3.960 -0.161 0.000 0.237 644 G C 0.773 175.445 174.900 -0.381 0.000 1.312 644 G CA 0.238 44.775 45.100 -0.940 0.000 0.896 644 G HN 0.191 nan 8.290 nan 0.000 0.574 645 Q N 0.110 119.726 119.800 -0.308 0.000 2.181 645 Q HA -0.063 4.180 4.340 -0.161 0.000 0.205 645 Q C 3.009 178.956 176.000 -0.088 0.000 0.980 645 Q CA 2.786 58.509 55.803 -0.133 0.000 0.862 645 Q CB -1.181 27.505 28.738 -0.088 0.000 0.905 645 Q HN 0.897 nan 8.270 nan 0.000 0.429 646 T N -0.218 114.269 114.554 -0.112 0.000 2.622 646 T HA -0.122 4.131 4.350 -0.161 0.000 0.266 646 T C -0.990 173.675 174.700 -0.058 0.000 1.047 646 T CA 1.431 63.485 62.100 -0.077 0.000 1.159 646 T CB -1.679 67.144 68.868 -0.075 0.000 0.863 646 T HN 0.226 nan 8.240 nan 0.000 0.422 647 P HA 0.030 nan 4.420 nan 0.000 0.215 647 P C 1.815 179.106 177.300 -0.015 0.000 1.157 647 P CA 0.570 63.652 63.100 -0.031 0.000 0.863 647 P CB -0.312 31.377 31.700 -0.019 0.000 0.787 648 L N 0.148 121.368 121.223 -0.005 0.000 1.976 648 L HA -0.235 4.008 4.340 -0.161 0.000 0.223 648 L C 2.454 179.361 176.870 0.061 0.000 1.081 648 L CA 2.241 57.109 54.840 0.047 0.000 0.784 648 L CB -1.157 40.939 42.059 0.062 0.000 0.896 648 L HN -0.137 nan 8.230 nan 0.000 0.438 649 K N -0.987 119.417 120.400 0.006 0.000 2.211 649 K HA -0.164 4.059 4.320 -0.161 0.000 0.204 649 K C 1.964 178.492 176.600 -0.119 0.000 1.047 649 K CA 1.219 57.427 56.287 -0.132 0.000 0.935 649 K CB -0.232 32.163 32.500 -0.174 0.000 0.728 649 K HN 0.308 nan 8.250 nan 0.000 0.452 650 L N -0.077 121.108 121.223 -0.063 0.000 2.240 650 L HA -0.043 4.200 4.340 -0.161 0.000 0.211 650 L C 2.427 179.278 176.870 -0.032 0.000 1.106 650 L CA 0.437 55.246 54.840 -0.051 0.000 0.793 650 L CB -0.564 41.472 42.059 -0.038 0.000 0.927 650 L HN 0.157 nan 8.230 nan 0.000 0.446 651 A N 0.901 123.715 122.820 -0.012 0.000 1.893 651 A HA -0.383 3.840 4.320 -0.161 0.000 0.222 651 A C 2.317 179.902 177.584 0.002 0.000 1.309 651 A CA 2.651 54.692 52.037 0.005 0.000 0.681 651 A CB -0.779 18.241 19.000 0.035 0.000 0.842 651 A HN 0.321 nan 8.150 nan 0.000 0.468 652 R N -1.082 119.421 120.500 0.004 0.000 2.132 652 R HA -0.169 4.074 4.340 -0.161 0.000 0.233 652 R C 2.521 178.815 176.300 -0.010 0.000 1.125 652 R CA 2.079 58.179 56.100 0.002 0.000 0.914 652 R CB -0.687 29.611 30.300 -0.003 0.000 0.845 652 R HN 0.574 nan 8.270 nan 0.000 0.431 653 A N 0.311 123.118 122.820 -0.023 0.000 2.024 653 A HA -0.146 4.077 4.320 -0.161 0.000 0.220 653 A C 2.169 179.744 177.584 -0.015 0.000 1.164 653 A CA 1.316 53.341 52.037 -0.021 0.000 0.643 653 A CB -0.565 18.417 19.000 -0.029 0.000 0.806 653 A HN 0.285 nan 8.150 nan 0.000 0.451 654 L N -0.773 120.440 121.223 -0.016 0.000 2.027 654 L HA -0.188 4.055 4.340 -0.161 0.000 0.206 654 L C 2.714 179.578 176.870 -0.011 0.000 1.074 654 L CA 1.833 56.664 54.840 -0.014 0.000 0.745 654 L CB -0.475 41.573 42.059 -0.018 0.000 0.898 654 L HN 0.697 nan 8.230 nan 0.000 0.433 655 E N 0.822 121.018 120.200 -0.007 0.000 2.152 655 E HA -0.194 4.059 4.350 -0.161 0.000 0.192 655 E C 2.065 178.663 176.600 -0.003 0.000 0.983 655 E CA 0.994 57.391 56.400 -0.005 0.000 0.818 655 E CB -0.028 29.671 29.700 -0.001 0.000 0.758 655 E HN 0.401 nan 8.360 nan 0.000 0.467 656 A N 0.894 123.712 122.820 -0.003 0.000 2.121 656 A HA 0.096 4.319 4.320 -0.161 0.000 0.218 656 A C 2.139 179.721 177.584 -0.003 0.000 1.154 656 A CA 1.206 53.242 52.037 -0.002 0.000 0.679 656 A CB -0.367 18.631 19.000 -0.004 0.000 0.795 656 A HN 0.392 nan 8.150 nan 0.000 0.458 657 A N -2.063 120.755 122.820 -0.004 0.000 2.345 657 A HA 0.465 4.688 4.320 -0.161 0.000 0.225 657 A C 1.595 179.176 177.584 -0.004 0.000 1.243 657 A CA 0.979 53.015 52.037 -0.003 0.000 0.875 657 A CB -0.652 18.347 19.000 -0.003 0.000 0.929 657 A HN 1.720 nan 8.150 nan 0.000 0.502 658 G N -1.369 107.428 108.800 -0.005 0.000 2.176 658 G HA2 -0.212 3.652 3.960 -0.161 0.000 0.232 658 G HA3 -0.212 3.652 3.960 -0.161 0.000 0.232 658 G C 0.233 175.127 174.900 -0.009 0.000 0.986 658 G CA -0.001 45.096 45.100 -0.006 0.000 0.643 658 G HN 0.798 nan 8.290 nan 0.000 0.522 659 V N 2.479 122.386 119.914 -0.012 0.000 2.529 659 V HA 0.320 4.343 4.120 -0.161 0.000 0.292 659 V C -1.237 174.848 176.094 -0.016 0.000 1.028 659 V CA -0.348 61.942 62.300 -0.017 0.000 1.074 659 V CB 1.033 32.843 31.823 -0.021 0.000 0.958 659 V HN 0.214 nan 8.190 nan 0.000 0.481 660 P HA 0.161 nan 4.420 nan 0.000 0.231 660 P C -0.258 177.027 177.300 -0.025 0.000 1.811 660 P CA -0.180 62.910 63.100 -0.017 0.000 1.051 660 P CB 0.030 31.721 31.700 -0.016 0.000 1.951 661 V N 4.678 124.580 119.914 -0.021 0.000 2.409 661 V HA -0.021 4.002 4.120 -0.161 0.000 0.270 661 V C 1.348 177.426 176.094 -0.026 0.000 1.019 661 V CA -0.012 62.273 62.300 -0.024 0.000 1.066 661 V CB -0.862 30.953 31.823 -0.013 0.000 1.021 661 V HN 0.328 nan 8.190 nan 0.000 0.476 662 I N 2.791 123.334 120.570 -0.044 0.000 2.970 662 I HA 0.953 5.026 4.170 -0.161 0.000 0.310 662 I C 0.801 176.892 176.117 -0.045 0.000 1.010 662 I CA 0.039 61.310 61.300 -0.048 0.000 1.228 662 I CB 0.756 38.712 38.000 -0.073 0.000 1.433 662 I HN 0.812 nan 8.210 nan 0.000 0.573 663 G N 2.037 110.816 108.800 -0.035 0.000 2.855 663 G HA2 -0.194 3.669 3.960 -0.161 0.000 0.352 663 G HA3 -0.194 3.669 3.960 -0.161 0.000 0.352 663 G C -0.089 174.813 174.900 0.003 0.000 1.415 663 G CA -0.365 44.724 45.100 -0.019 0.000 0.871 663 G HN 1.041 nan 8.290 nan 0.000 0.543 664 T N 1.301 115.866 114.554 0.018 0.000 2.591 664 T HA 0.313 4.567 4.350 -0.161 0.000 0.245 664 T C 1.522 176.237 174.700 0.024 0.000 1.031 664 T CA 1.160 63.276 62.100 0.026 0.000 1.187 664 T CB -0.341 68.546 68.868 0.032 0.000 1.014 664 T HN 2.011 nan 8.240 nan 0.000 0.488 665 S N 4.838 120.553 115.700 0.026 0.000 2.560 665 S HA 0.071 4.444 4.470 -0.161 0.000 0.276 665 S C -1.500 173.119 174.600 0.032 0.000 1.350 665 S CA -1.119 57.097 58.200 0.026 0.000 1.024 665 S CB 0.571 63.788 63.200 0.027 0.000 0.864 665 S HN 0.337 nan 8.310 nan 0.000 0.536 666 P HA -0.030 nan 4.420 nan 0.000 0.217 666 P C 1.023 178.358 177.300 0.058 0.000 1.151 666 P CA 1.478 64.607 63.100 0.048 0.000 0.828 666 P CB -0.131 31.592 31.700 0.038 0.000 0.788 667 D N -0.380 120.047 120.400 0.045 0.000 2.117 667 D HA -0.125 4.418 4.640 -0.161 0.000 0.198 667 D C 1.923 178.250 176.300 0.044 0.000 0.982 667 D CA 1.296 55.324 54.000 0.046 0.000 0.828 667 D CB -0.567 40.254 40.800 0.035 0.000 0.967 667 D HN -0.072 nan 8.370 nan 0.000 0.464 668 A N 0.301 123.145 122.820 0.040 0.000 1.883 668 A HA -0.169 4.054 4.320 -0.161 0.000 0.217 668 A C 2.402 180.005 177.584 0.031 0.000 1.186 668 A CA 1.411 53.471 52.037 0.039 0.000 0.624 668 A CB -0.983 18.040 19.000 0.038 0.000 0.822 668 A HN 0.418 nan 8.150 nan 0.000 0.444 669 I N -0.512 120.076 120.570 0.029 0.000 2.163 669 I HA -0.291 3.782 4.170 -0.161 0.000 0.243 669 I C 2.252 178.358 176.117 -0.019 0.000 1.085 669 I CA 2.015 63.321 61.300 0.010 0.000 1.347 669 I CB -0.347 37.678 38.000 0.041 0.000 1.044 669 I HN 0.411 nan 8.210 nan 0.000 0.408 670 D N 0.373 120.795 120.400 0.035 0.000 2.149 670 D HA -0.201 4.342 4.640 -0.161 0.000 0.198 670 D C 2.361 178.658 176.300 -0.006 0.000 0.990 670 D CA 1.112 55.135 54.000 0.038 0.000 0.839 670 D CB 0.071 40.934 40.800 0.105 0.000 0.948 670 D HN 0.058 nan 8.370 nan 0.000 0.460 671 R N -0.438 120.077 120.500 0.025 0.000 2.120 671 R HA -0.067 4.176 4.340 -0.161 0.000 0.234 671 R C 1.899 178.258 176.300 0.098 0.000 1.123 671 R CA 1.268 57.404 56.100 0.060 0.000 0.975 671 R CB -0.167 30.178 30.300 0.074 0.000 0.866 671 R HN 0.234 nan 8.270 nan 0.000 0.446 672 A N 0.148 122.980 122.820 0.020 0.000 2.063 672 A HA 0.025 4.248 4.320 -0.161 0.000 0.211 672 A C 1.651 179.097 177.584 -0.229 0.000 1.177 672 A CA 0.262 52.262 52.037 -0.061 0.000 0.759 672 A CB 0.228 19.161 19.000 -0.112 0.000 0.857 672 A HN 0.108 nan 8.150 nan 0.000 0.468 673 E N 0.484 120.503 120.200 -0.302 0.000 2.299 673 E HA -0.048 4.205 4.350 -0.161 0.000 0.193 673 E C -0.267 176.038 176.600 -0.491 0.000 0.998 673 E CA 0.198 56.269 56.400 -0.548 0.000 0.851 673 E CB 0.044 29.140 29.700 -1.007 0.000 0.795 673 E HN 0.532 nan 8.360 nan 0.000 0.492 674 D N 1.279 121.519 120.400 -0.266 0.000 2.347 674 D HA 0.044 4.587 4.640 -0.161 0.000 0.235 674 D C 0.948 177.269 176.300 0.035 0.000 1.149 674 D CA -0.193 53.762 54.000 -0.076 0.000 0.850 674 D CB 0.634 41.441 40.800 0.012 0.000 1.061 674 D HN -0.048 nan 8.370 nan 0.000 0.487 675 R N 2.987 123.517 120.500 0.050 0.000 2.152 675 R HA -0.162 4.082 4.340 -0.161 0.000 0.232 675 R C 1.651 178.059 176.300 0.179 0.000 1.117 675 R CA 0.819 56.996 56.100 0.129 0.000 0.981 675 R CB 0.038 30.392 30.300 0.089 0.000 0.870 675 R HN 0.545 nan 8.270 nan 0.000 0.451 676 E N 0.959 121.251 120.200 0.153 0.000 2.158 676 E HA -0.080 4.173 4.350 -0.161 0.000 0.191 676 E C 2.062 178.828 176.600 0.278 0.000 0.982 676 E CA 0.458 56.983 56.400 0.208 0.000 0.823 676 E CB 0.231 30.017 29.700 0.145 0.000 0.766 676 E HN 0.130 nan 8.360 nan 0.000 0.468 677 R N -0.241 120.350 120.500 0.151 0.000 2.073 677 R HA -0.086 4.157 4.340 -0.161 0.000 0.229 677 R C 2.231 178.647 176.300 0.193 0.000 1.120 677 R CA 0.959 57.125 56.100 0.111 0.000 0.967 677 R CB -0.618 29.726 30.300 0.073 0.000 0.862 677 R HN 0.265 nan 8.270 nan 0.000 0.436 678 F N 2.506 122.487 119.950 0.052 0.000 2.069 678 F HA -0.243 4.188 4.527 -0.159 0.000 0.298 678 F C 2.597 178.430 175.800 0.055 0.000 1.113 678 F CA 1.833 59.851 58.000 0.030 0.000 1.214 678 F CB -0.589 38.404 39.000 -0.012 0.000 0.978 678 F HN 0.040 nan 8.300 nan 0.000 0.474 679 Q N -1.152 118.629 119.800 -0.031 0.000 2.308 679 Q HA -0.275 3.968 4.340 -0.161 0.000 0.209 679 Q C 1.773 177.642 176.000 -0.217 0.000 0.985 679 Q CA 2.055 57.769 55.803 -0.148 0.000 0.881 679 Q CB -0.315 28.407 28.738 -0.028 0.000 0.917 679 Q HN 0.620 nan 8.270 nan 0.000 0.443 680 H N -1.080 117.913 119.070 -0.128 0.000 2.415 680 H HA 0.144 4.602 4.556 -0.163 0.000 0.297 680 H C 1.863 177.120 175.328 -0.118 0.000 1.048 680 H CA 1.169 57.163 56.048 -0.090 0.000 1.365 680 H CB 0.151 29.890 29.762 -0.039 0.000 1.421 680 H HN 0.386 nan 8.280 nan 0.000 0.533 681 A N 0.264 123.057 122.820 -0.045 0.000 1.873 681 A HA -0.126 4.097 4.320 -0.161 0.000 0.215 681 A C 2.454 179.930 177.584 -0.181 0.000 1.186 681 A CA 1.600 53.578 52.037 -0.098 0.000 0.616 681 A CB -0.867 18.068 19.000 -0.109 0.000 0.823 681 A HN 0.216 nan 8.150 nan 0.000 0.442 682 V N 0.239 119.934 119.914 -0.365 0.000 2.282 682 V HA -0.282 3.742 4.120 -0.161 0.000 0.249 682 V C 2.636 178.621 176.094 -0.181 0.000 1.057 682 V CA 2.502 64.605 62.300 -0.328 0.000 1.032 682 V CB -0.874 30.685 31.823 -0.440 0.000 0.645 682 V HN 0.633 nan 8.190 nan 0.000 0.447 683 E N 0.635 120.729 120.200 -0.176 0.000 2.058 683 E HA -0.249 4.004 4.350 -0.161 0.000 0.194 683 E C 2.305 178.856 176.600 -0.082 0.000 0.997 683 E CA 1.846 58.169 56.400 -0.127 0.000 0.801 683 E CB -0.420 29.187 29.700 -0.155 0.000 0.746 683 E HN 0.564 nan 8.360 nan 0.000 0.450 684 R N -0.188 120.274 120.500 -0.064 0.000 2.105 684 R HA -0.066 4.177 4.340 -0.161 0.000 0.239 684 R C 1.846 178.130 176.300 -0.027 0.000 1.135 684 R CA 1.502 57.585 56.100 -0.029 0.000 0.967 684 R CB -0.343 29.952 30.300 -0.007 0.000 0.861 684 R HN 0.256 nan 8.270 nan 0.000 0.442 685 L N 0.877 122.076 121.223 -0.040 0.000 2.611 685 L HA 0.178 4.421 4.340 -0.161 0.000 0.229 685 L C -0.114 176.740 176.870 -0.027 0.000 1.137 685 L CA 0.035 54.862 54.840 -0.022 0.000 0.901 685 L CB 0.058 42.113 42.059 -0.006 0.000 1.098 685 L HN 0.144 nan 8.230 nan 0.000 0.456 686 K N 0.647 121.020 120.400 -0.044 0.000 3.278 686 K HA -0.185 4.038 4.320 -0.161 0.000 0.270 686 K C -0.563 176.008 176.600 -0.049 0.000 0.955 686 K CA 0.565 56.824 56.287 -0.047 0.000 0.723 686 K CB -1.721 30.756 32.500 -0.038 0.000 1.382 686 K HN 0.287 nan 8.250 nan 0.000 0.461 687 L N -0.320 120.868 121.223 -0.058 0.000 2.335 687 L HA 0.449 4.692 4.340 -0.161 0.000 0.268 687 L C 0.478 177.305 176.870 -0.073 0.000 1.016 687 L CA -1.314 53.496 54.840 -0.050 0.000 0.805 687 L CB 1.119 43.167 42.059 -0.019 0.000 1.311 687 L HN 0.006 nan 8.230 nan 0.000 0.456 688 K N 1.584 121.935 120.400 -0.081 0.000 2.258 688 K HA 0.250 4.473 4.320 -0.161 0.000 0.284 688 K C -0.867 175.713 176.600 -0.033 0.000 1.051 688 K CA -0.184 56.022 56.287 -0.136 0.000 0.923 688 K CB 0.738 33.030 32.500 -0.346 0.000 1.046 688 K HN 0.539 nan 8.250 nan 0.000 0.474 689 Q N 5.605 125.411 119.800 0.010 0.000 2.284 689 Q HA 0.404 4.647 4.340 -0.161 0.000 0.269 689 Q C -2.603 173.487 176.000 0.150 0.000 1.026 689 Q CA -2.042 53.818 55.803 0.095 0.000 0.831 689 Q CB 1.712 30.456 28.738 0.010 0.000 1.322 689 Q HN 0.368 nan 8.270 nan 0.000 0.419 690 P HA 0.055 nan 4.420 nan 0.000 0.271 690 P C -0.832 176.549 177.300 0.135 0.000 1.233 690 P CA -0.092 63.141 63.100 0.223 0.000 0.795 690 P CB 0.264 32.057 31.700 0.155 0.000 0.936 691 A N 1.839 124.736 122.820 0.130 0.000 2.515 691 A HA 0.344 4.568 4.320 -0.161 0.000 0.263 691 A C 0.433 178.062 177.584 0.075 0.000 1.096 691 A CA 0.143 52.217 52.037 0.062 0.000 0.769 691 A CB -1.409 17.585 19.000 -0.010 0.000 1.040 691 A HN 0.755 nan 8.150 nan 0.000 0.505 692 N N 0.295 119.020 118.700 0.042 0.000 2.972 692 N HA 0.832 5.475 4.740 -0.161 0.000 0.262 692 N C -0.942 174.580 175.510 0.021 0.000 1.478 692 N CA -0.133 52.944 53.050 0.045 0.000 0.841 692 N CB 1.444 39.970 38.487 0.065 0.000 1.512 692 N HN 1.037 nan 8.380 nan 0.000 0.548 693 A N -0.906 121.935 122.820 0.035 0.000 2.577 693 A HA 0.654 4.877 4.320 -0.161 0.000 0.297 693 A C -1.443 176.182 177.584 0.067 0.000 1.060 693 A CA -0.686 51.371 52.037 0.033 0.000 0.697 693 A CB 1.185 20.192 19.000 0.012 0.000 1.281 693 A HN 0.576 nan 8.150 nan 0.000 0.402 694 T N 1.563 116.163 114.554 0.077 0.000 2.744 694 T HA 0.564 4.818 4.350 -0.161 0.000 0.291 694 T C -0.601 174.168 174.700 0.115 0.000 0.957 694 T CA -0.063 62.103 62.100 0.110 0.000 1.002 694 T CB 0.657 69.597 68.868 0.120 0.000 0.919 694 T HN 0.652 nan 8.240 nan 0.000 0.468 695 V N 3.510 123.526 119.914 0.171 0.000 2.735 695 V HA 0.388 4.411 4.120 -0.161 0.000 0.310 695 V C 0.805 177.100 176.094 0.336 0.000 1.061 695 V CA -0.489 61.931 62.300 0.200 0.000 0.913 695 V CB 2.290 34.174 31.823 0.102 0.000 1.005 695 V HN 0.921 nan 8.190 nan 0.000 0.428 696 T N 2.295 117.002 114.554 0.255 0.000 3.038 696 T HA 0.390 4.643 4.350 -0.161 0.000 0.244 696 T C 0.401 175.309 174.700 0.346 0.000 1.016 696 T CA 0.893 63.143 62.100 0.250 0.000 1.098 696 T CB 0.530 69.480 68.868 0.137 0.000 0.954 696 T HN 0.798 nan 8.240 nan 0.000 0.469 697 A N 0.194 123.157 122.820 0.239 0.000 2.356 697 A HA 0.699 4.922 4.320 -0.161 0.000 0.323 697 A C 0.954 178.485 177.584 -0.088 0.000 1.119 697 A CA -0.665 51.474 52.037 0.170 0.000 0.790 697 A CB 0.758 19.807 19.000 0.081 0.000 1.273 697 A HN 0.257 nan 8.150 nan 0.000 0.452 698 I N 0.210 120.729 120.570 -0.086 0.000 2.076 698 I HA -0.179 3.894 4.170 -0.161 0.000 0.237 698 I C 2.017 178.004 176.117 -0.217 0.000 1.059 698 I CA 1.725 62.856 61.300 -0.281 0.000 1.317 698 I CB -0.737 37.226 38.000 -0.062 0.000 1.037 698 I HN 0.683 nan 8.210 nan 0.000 0.398 699 E N 0.434 120.579 120.200 -0.092 0.000 2.136 699 E HA -0.253 4.000 4.350 -0.161 0.000 0.202 699 E C 2.094 178.649 176.600 -0.074 0.000 1.019 699 E CA 1.711 58.075 56.400 -0.061 0.000 0.819 699 E CB -0.322 29.363 29.700 -0.024 0.000 0.739 699 E HN 0.349 nan 8.360 nan 0.000 0.458 700 M N -0.805 118.745 119.600 -0.082 0.000 2.193 700 M HA 0.075 4.458 4.480 -0.161 0.000 0.265 700 M C 2.100 178.326 176.300 -0.124 0.000 1.071 700 M CA 1.386 56.643 55.300 -0.073 0.000 1.140 700 M CB -0.967 31.612 32.600 -0.034 0.000 1.369 700 M HN 0.147 nan 8.290 nan 0.000 0.423 701 A N -0.323 122.351 122.820 -0.243 0.000 1.892 701 A HA -0.146 4.077 4.320 -0.161 0.000 0.218 701 A C 2.300 179.753 177.584 -0.218 0.000 1.188 701 A CA 2.127 53.952 52.037 -0.354 0.000 0.631 701 A CB -1.174 17.263 19.000 -0.939 0.000 0.822 701 A HN 0.304 nan 8.150 nan 0.000 0.447 702 V N 0.562 120.369 119.914 -0.178 0.000 2.282 702 V HA -0.358 3.665 4.120 -0.161 0.000 0.249 702 V C 2.665 178.731 176.094 -0.047 0.000 1.057 702 V CA 2.774 65.029 62.300 -0.075 0.000 1.032 702 V CB -0.912 30.879 31.823 -0.053 0.000 0.645 702 V HN 0.933 nan 8.190 nan 0.000 0.447 703 E N 0.442 120.608 120.200 -0.057 0.000 2.046 703 E HA -0.261 3.992 4.350 -0.161 0.000 0.190 703 E C 2.123 178.688 176.600 -0.058 0.000 0.982 703 E CA 1.591 57.965 56.400 -0.044 0.000 0.800 703 E CB -0.365 29.314 29.700 -0.036 0.000 0.756 703 E HN 0.371 nan 8.360 nan 0.000 0.449 704 K N 0.589 120.948 120.400 -0.069 0.000 2.103 704 K HA -0.072 4.151 4.320 -0.161 0.000 0.207 704 K C 1.984 178.526 176.600 -0.098 0.000 1.048 704 K CA 1.529 57.775 56.287 -0.069 0.000 0.930 704 K CB -0.686 31.780 32.500 -0.056 0.000 0.716 704 K HN 0.329 nan 8.250 nan 0.000 0.444 705 A N 0.729 123.472 122.820 -0.128 0.000 1.883 705 A HA -0.249 3.974 4.320 -0.161 0.000 0.217 705 A C 1.913 179.308 177.584 -0.315 0.000 1.186 705 A CA 2.072 53.967 52.037 -0.238 0.000 0.624 705 A CB -0.501 18.361 19.000 -0.231 0.000 0.822 705 A HN 0.318 nan 8.150 nan 0.000 0.444 706 K N -0.282 120.010 120.400 -0.181 0.000 2.107 706 K HA -0.249 3.974 4.320 -0.161 0.000 0.211 706 K C 1.970 178.496 176.600 -0.123 0.000 1.049 706 K CA 2.076 58.292 56.287 -0.118 0.000 0.927 706 K CB -0.215 32.260 32.500 -0.042 0.000 0.714 706 K HN 0.673 nan 8.250 nan 0.000 0.452 707 E N 0.488 120.621 120.200 -0.111 0.000 1.997 707 E HA -0.185 4.068 4.350 -0.161 0.000 0.201 707 E C 1.935 178.464 176.600 -0.118 0.000 1.011 707 E CA 1.688 58.032 56.400 -0.093 0.000 0.847 707 E CB -0.174 29.482 29.700 -0.074 0.000 0.787 707 E HN 0.150 nan 8.360 nan 0.000 0.472 708 I N 0.086 120.582 120.570 -0.124 0.000 2.121 708 I HA -0.295 3.778 4.170 -0.161 0.000 0.243 708 I C 1.205 177.220 176.117 -0.171 0.000 1.047 708 I CA 1.555 62.786 61.300 -0.116 0.000 1.308 708 I CB -0.602 37.353 38.000 -0.075 0.000 1.015 708 I HN 0.424 nan 8.210 nan 0.000 0.410 709 G N -1.721 106.961 108.800 -0.198 0.000 2.576 709 G HA2 -0.086 3.777 3.960 -0.161 0.000 0.686 709 G HA3 -0.086 3.777 3.960 -0.161 0.000 0.686 709 G C -1.140 173.746 174.900 -0.024 0.000 1.242 709 G CA -0.985 44.023 45.100 -0.153 0.000 0.819 709 G HN 0.015 nan 8.290 nan 0.000 0.655 710 Y N 0.894 121.305 120.300 0.185 0.000 2.496 710 Y HA 0.709 5.161 4.550 -0.164 0.000 0.331 710 Y C -1.107 174.934 175.900 0.235 0.000 1.140 710 Y CA -1.726 56.482 58.100 0.179 0.000 1.166 710 Y CB 1.210 39.745 38.460 0.125 0.000 1.249 710 Y HN 0.597 nan 8.280 nan 0.000 0.479 711 P HA 0.379 nan 4.420 nan 0.000 0.276 711 P C -1.348 176.060 177.300 0.179 0.000 1.261 711 P CA -0.460 62.759 63.100 0.199 0.000 0.800 711 P CB 1.285 32.859 31.700 -0.211 0.000 1.066 712 L N -0.395 120.904 121.223 0.126 0.000 2.376 712 L HA 0.596 4.839 4.340 -0.161 0.000 0.258 712 L C -1.397 175.483 176.870 0.017 0.000 1.013 712 L CA -1.013 53.895 54.840 0.113 0.000 0.822 712 L CB 2.349 44.515 42.059 0.177 0.000 1.388 712 L HN 0.026 nan 8.230 nan 0.000 0.413 713 V N 3.577 123.524 119.914 0.055 0.000 2.378 713 V HA 0.335 4.359 4.120 -0.161 0.000 0.288 713 V C -0.358 175.776 176.094 0.066 0.000 1.016 713 V CA -0.696 61.623 62.300 0.032 0.000 0.840 713 V CB 1.503 33.365 31.823 0.064 0.000 0.994 713 V HN 0.472 nan 8.190 nan 0.000 0.431 714 V N 6.683 126.634 119.914 0.061 0.000 2.405 714 V HA 0.376 4.399 4.120 -0.161 0.000 0.264 714 V C 0.406 176.535 176.094 0.057 0.000 1.048 714 V CA -0.349 62.014 62.300 0.104 0.000 0.966 714 V CB 0.031 31.947 31.823 0.154 0.000 1.015 714 V HN 0.828 nan 8.190 nan 0.000 0.477 715 R N 6.063 126.603 120.500 0.067 0.000 2.409 715 R HA 0.488 4.732 4.340 -0.161 0.000 0.313 715 R C -2.880 173.436 176.300 0.027 0.000 0.953 715 R CA -1.804 54.319 56.100 0.039 0.000 0.849 715 R CB 1.950 32.276 30.300 0.042 0.000 1.171 715 R HN 0.382 nan 8.270 nan 0.000 0.458 716 P HA 0.134 nan 4.420 nan 0.000 0.276 716 P C -0.295 177.007 177.300 0.003 0.000 1.252 716 P CA -0.436 62.652 63.100 -0.019 0.000 0.802 716 P CB 0.963 32.638 31.700 -0.042 0.000 1.035 717 S N -0.401 115.312 115.700 0.022 0.000 2.652 717 S HA 0.264 4.637 4.470 -0.161 0.000 0.270 717 S C -0.497 174.162 174.600 0.097 0.000 1.243 717 S CA -0.031 58.188 58.200 0.032 0.000 0.999 717 S CB -0.545 62.702 63.200 0.079 0.000 0.973 717 S HN 0.427 nan 8.310 nan 0.000 0.544 718 Y N -0.815 119.469 120.300 -0.027 0.000 3.491 718 Y HA -0.198 4.252 4.550 -0.167 0.000 0.215 718 Y C 0.045 175.920 175.900 -0.042 0.000 1.219 718 Y CA 0.719 58.797 58.100 -0.035 0.000 1.485 718 Y CB -1.905 36.535 38.460 -0.034 0.000 1.450 718 Y HN 0.399 nan 8.280 nan 0.000 0.603 719 V N -1.291 118.653 119.914 0.051 0.000 2.962 719 V HA 0.913 4.936 4.120 -0.161 0.000 0.313 719 V C -0.460 175.643 176.094 0.014 0.000 1.099 719 V CA -1.168 61.151 62.300 0.030 0.000 0.971 719 V CB 2.312 34.145 31.823 0.016 0.000 1.028 719 V HN 0.346 nan 8.190 nan 0.000 0.430 720 L N 1.589 122.823 121.223 0.019 0.000 2.323 720 L HA 1.105 5.349 4.340 -0.161 0.000 0.265 720 L C 0.839 177.741 176.870 0.054 0.000 1.012 720 L CA 0.140 55.011 54.840 0.052 0.000 0.820 720 L CB 1.205 43.292 42.059 0.047 0.000 1.334 720 L HN 1.832 nan 8.230 nan 0.000 0.427 721 G N -0.205 108.668 108.800 0.122 0.000 2.160 721 G HA2 0.083 3.946 3.960 -0.161 0.000 0.251 721 G HA3 0.083 3.946 3.960 -0.161 0.000 0.251 721 G C 0.914 175.695 174.900 -0.198 0.000 1.008 721 G CA 0.288 45.331 45.100 -0.094 0.000 0.724 721 G HN 2.277 nan 8.290 nan 0.000 0.514 722 G N -0.712 108.142 108.800 0.089 0.000 2.386 722 G HA2 -0.097 3.766 3.960 -0.161 0.000 0.295 722 G HA3 -0.097 3.766 3.960 -0.161 0.000 0.295 722 G C 0.299 175.175 174.900 -0.039 0.000 0.979 722 G CA 1.126 46.269 45.100 0.072 0.000 1.193 722 G HN 1.475 nan 8.290 nan 0.000 0.508 723 R N 0.278 120.753 120.500 -0.041 0.000 2.288 723 R HA 0.534 4.777 4.340 -0.161 0.000 0.330 723 R C 1.259 177.530 176.300 -0.048 0.000 1.069 723 R CA 1.033 57.097 56.100 -0.060 0.000 0.941 723 R CB -0.169 30.101 30.300 -0.051 0.000 0.998 723 R HN 1.812 nan 8.270 nan 0.000 0.452 724 A N 3.571 126.356 122.820 -0.059 0.000 3.410 724 A HA -0.205 4.018 4.320 -0.161 0.000 0.253 724 A C 0.055 177.608 177.584 -0.051 0.000 1.178 724 A CA 0.955 52.967 52.037 -0.042 0.000 1.334 724 A CB -2.240 16.740 19.000 -0.034 0.000 1.097 724 A HN 0.628 nan 8.150 nan 0.000 0.921 725 M N 0.376 119.941 119.600 -0.058 0.000 2.217 725 M HA 0.540 4.923 4.480 -0.161 0.000 0.354 725 M C 0.174 176.397 176.300 -0.128 0.000 1.225 725 M CA 0.632 55.898 55.300 -0.057 0.000 1.137 725 M CB 0.599 33.195 32.600 -0.007 0.000 1.576 725 M HN 0.313 nan 8.290 nan 0.000 0.461 726 E N 2.734 122.840 120.200 -0.157 0.000 2.352 726 E HA 0.463 4.717 4.350 -0.161 0.000 0.280 726 E C -1.565 174.899 176.600 -0.227 0.000 0.930 726 E CA -0.425 55.802 56.400 -0.288 0.000 0.765 726 E CB 2.019 31.447 29.700 -0.453 0.000 1.219 726 E HN 0.593 nan 8.360 nan 0.000 0.434 727 I N 2.980 123.382 120.570 -0.280 0.000 2.301 727 I HA 0.191 4.265 4.170 -0.161 0.000 0.292 727 I C 0.298 176.207 176.117 -0.347 0.000 1.046 727 I CA -0.800 60.275 61.300 -0.375 0.000 1.282 727 I CB 0.786 38.404 38.000 -0.638 0.000 1.409 727 I HN 0.190 nan 8.210 nan 0.000 0.484 728 V N 4.209 124.000 119.914 -0.204 0.000 2.644 728 V HA 0.281 4.304 4.120 -0.161 0.000 0.295 728 V C -0.257 175.751 176.094 -0.143 0.000 1.053 728 V CA -0.010 62.267 62.300 -0.037 0.000 0.987 728 V CB 1.151 33.060 31.823 0.144 0.000 1.006 728 V HN 0.651 nan 8.190 nan 0.000 0.472 729 Y N 1.053 121.270 120.300 -0.138 0.000 2.423 729 Y HA 0.312 4.762 4.550 -0.166 0.000 0.257 729 Y C 0.630 176.125 175.900 -0.674 0.000 1.087 729 Y CA 0.161 58.121 58.100 -0.234 0.000 1.258 729 Y CB 0.851 39.227 38.460 -0.140 0.000 1.237 729 Y HN 0.979 nan 8.280 nan 0.000 0.517 730 D N -1.389 118.639 120.400 -0.621 0.000 2.692 730 D HA 0.071 4.614 4.640 -0.161 0.000 0.303 730 D C 0.631 176.677 176.300 -0.423 0.000 1.278 730 D CA -0.105 53.410 54.000 -0.808 0.000 0.852 730 D CB 0.688 41.292 40.800 -0.326 0.000 1.375 730 D HN 0.045 nan 8.370 nan 0.000 0.453 731 E N 0.868 120.955 120.200 -0.188 0.000 2.119 731 E HA -0.300 3.953 4.350 -0.161 0.000 0.221 731 E C 2.078 178.689 176.600 0.019 0.000 1.062 731 E CA 2.537 58.949 56.400 0.019 0.000 0.894 731 E CB -1.203 28.509 29.700 0.020 0.000 0.785 731 E HN 0.522 nan 8.360 nan 0.000 0.472 732 A N 1.151 123.965 122.820 -0.010 0.000 1.859 732 A HA -0.317 3.906 4.320 -0.161 0.000 0.217 732 A C 2.064 179.657 177.584 0.014 0.000 1.198 732 A CA 2.239 54.274 52.037 -0.005 0.000 0.629 732 A CB -1.213 17.776 19.000 -0.019 0.000 0.830 732 A HN 0.331 nan 8.150 nan 0.000 0.446 733 D N -0.970 119.455 120.400 0.042 0.000 2.203 733 D HA -0.152 4.391 4.640 -0.161 0.000 0.199 733 D C 1.703 178.135 176.300 0.220 0.000 0.997 733 D CA 1.273 55.361 54.000 0.148 0.000 0.863 733 D CB -0.187 40.708 40.800 0.158 0.000 0.928 733 D HN 0.386 nan 8.370 nan 0.000 0.458 734 L N 0.585 121.903 121.223 0.157 0.000 1.993 734 L HA -0.060 4.183 4.340 -0.161 0.000 0.206 734 L C 2.135 179.103 176.870 0.163 0.000 1.074 734 L CA 1.446 56.401 54.840 0.192 0.000 0.746 734 L CB -0.247 41.907 42.059 0.158 0.000 0.896 734 L HN -0.123 nan 8.230 nan 0.000 0.435 735 R N -0.538 120.011 120.500 0.082 0.000 2.133 735 R HA -0.228 4.015 4.340 -0.161 0.000 0.247 735 R C 2.397 178.717 176.300 0.033 0.000 1.151 735 R CA 1.609 57.744 56.100 0.058 0.000 0.971 735 R CB -0.775 29.536 30.300 0.019 0.000 0.866 735 R HN 0.427 nan 8.270 nan 0.000 0.447 736 R N 0.435 120.906 120.500 -0.047 0.000 2.070 736 R HA -0.134 4.109 4.340 -0.161 0.000 0.232 736 R C 1.248 177.385 176.300 -0.272 0.000 1.138 736 R CA 1.645 57.602 56.100 -0.238 0.000 0.936 736 R CB -0.127 29.907 30.300 -0.443 0.000 0.839 736 R HN 0.280 nan 8.270 nan 0.000 0.429 737 Y N -1.431 118.924 120.300 0.092 0.000 2.493 737 Y HA 0.058 4.503 4.550 -0.175 0.000 0.275 737 Y C 1.156 177.130 175.900 0.122 0.000 1.183 737 Y CA -0.380 57.770 58.100 0.083 0.000 1.258 737 Y CB -0.044 38.454 38.460 0.064 0.000 1.108 737 Y HN 0.062 nan 8.280 nan 0.000 0.521 738 F N 0.492 120.506 119.950 0.108 0.000 2.262 738 F HA -0.080 4.354 4.527 -0.154 0.000 0.292 738 F C 2.284 178.119 175.800 0.059 0.000 1.081 738 F CA 1.136 59.187 58.000 0.084 0.000 1.355 738 F CB 0.015 39.058 39.000 0.071 0.000 1.069 738 F HN -0.057 nan 8.300 nan 0.000 0.506 739 Q N 0.372 120.211 119.800 0.066 0.000 2.045 739 Q HA -0.174 4.069 4.340 -0.161 0.000 0.206 739 Q C 2.238 178.185 176.000 -0.088 0.000 0.991 739 Q CA 2.831 58.624 55.803 -0.017 0.000 0.851 739 Q CB -1.142 27.608 28.738 0.020 0.000 0.911 739 Q HN 0.453 nan 8.270 nan 0.000 0.418 740 T N 0.239 114.767 114.554 -0.042 0.000 2.665 740 T HA -0.236 4.017 4.350 -0.161 0.000 0.268 740 T C 1.805 176.452 174.700 -0.090 0.000 1.035 740 T CA 1.864 63.941 62.100 -0.037 0.000 1.151 740 T CB -0.757 68.128 68.868 0.028 0.000 0.862 740 T HN 0.406 nan 8.240 nan 0.000 0.438 741 A N 1.059 123.791 122.820 -0.148 0.000 1.917 741 A HA -0.068 4.155 4.320 -0.161 0.000 0.219 741 A C 2.656 180.087 177.584 -0.254 0.000 1.182 741 A CA 1.754 53.663 52.037 -0.213 0.000 0.633 741 A CB -1.129 17.677 19.000 -0.323 0.000 0.819 741 A HN 0.400 nan 8.150 nan 0.000 0.448 742 V N 0.805 120.514 119.914 -0.341 0.000 2.379 742 V HA -0.221 3.802 4.120 -0.161 0.000 0.245 742 V C 2.976 178.997 176.094 -0.122 0.000 1.044 742 V CA 2.221 64.372 62.300 -0.249 0.000 1.036 742 V CB -0.952 30.720 31.823 -0.252 0.000 0.664 742 V HN 0.833 nan 8.190 nan 0.000 0.453 743 S N 1.332 116.971 115.700 -0.101 0.000 2.383 743 S HA -0.179 4.194 4.470 -0.161 0.000 0.229 743 S C 1.939 176.505 174.600 -0.058 0.000 1.030 743 S CA 1.897 60.057 58.200 -0.066 0.000 1.002 743 S CB -0.695 62.472 63.200 -0.056 0.000 0.829 743 S HN 0.672 nan 8.310 nan 0.000 0.467 744 V N -1.693 118.186 119.914 -0.058 0.000 3.174 744 V HA 0.226 4.249 4.120 -0.161 0.000 0.254 744 V C 2.245 178.327 176.094 -0.020 0.000 1.120 744 V CA 1.141 63.417 62.300 -0.041 0.000 1.114 744 V CB -0.922 30.878 31.823 -0.039 0.000 0.756 744 V HN 0.455 nan 8.190 nan 0.000 0.467 745 S N 1.187 116.869 115.700 -0.031 0.000 2.428 745 S HA -0.330 4.043 4.470 -0.161 0.000 0.240 745 S C 1.320 175.953 174.600 0.055 0.000 1.036 745 S CA 1.765 59.965 58.200 -0.000 0.000 1.009 745 S CB -1.020 62.154 63.200 -0.043 0.000 0.803 745 S HN 0.940 nan 8.310 nan 0.000 0.486 746 N N 0.299 119.005 118.700 0.010 0.000 2.771 746 N HA -0.202 4.441 4.740 -0.161 0.000 0.249 746 N C -0.583 174.921 175.510 -0.010 0.000 1.069 746 N CA 0.743 53.776 53.050 -0.029 0.000 0.688 746 N CB -1.306 37.124 38.487 -0.095 0.000 0.928 746 N HN 0.388 nan 8.380 nan 0.000 0.551 747 D N -2.263 118.134 120.400 -0.004 0.000 3.059 747 D HA -0.203 4.340 4.640 -0.161 0.000 0.222 747 D C 0.124 176.451 176.300 0.045 0.000 1.185 747 D CA 1.625 55.631 54.000 0.010 0.000 0.904 747 D CB -0.910 39.885 40.800 -0.007 0.000 1.122 747 D HN 0.758 nan 8.370 nan 0.000 0.410 748 A N -0.402 122.464 122.820 0.077 0.000 2.294 748 A HA 0.729 4.952 4.320 -0.161 0.000 0.330 748 A C -2.444 175.187 177.584 0.078 0.000 1.133 748 A CA -1.061 51.042 52.037 0.110 0.000 0.836 748 A CB 1.228 20.349 19.000 0.202 0.000 1.190 748 A HN 0.009 nan 8.150 nan 0.000 0.492 749 P HA 0.365 nan 4.420 nan 0.000 0.282 749 P C -0.815 176.536 177.300 0.084 0.000 1.249 749 P CA -0.334 62.822 63.100 0.092 0.000 0.806 749 P CB 0.999 32.764 31.700 0.110 0.000 0.984 750 V N 3.793 123.768 119.914 0.101 0.000 2.408 750 V HA 0.121 4.144 4.120 -0.161 0.000 0.267 750 V C 0.755 176.957 176.094 0.181 0.000 1.047 750 V CA -0.467 61.889 62.300 0.093 0.000 0.937 750 V CB 0.299 32.104 31.823 -0.030 0.000 0.999 750 V HN 0.444 nan 8.190 nan 0.000 0.472 751 L N 6.307 127.608 121.223 0.131 0.000 2.349 751 L HA 0.397 4.640 4.340 -0.161 0.000 0.275 751 L C -0.484 176.474 176.870 0.146 0.000 1.115 751 L CA -0.129 54.791 54.840 0.133 0.000 0.820 751 L CB 0.743 42.867 42.059 0.109 0.000 1.135 751 L HN 0.420 nan 8.230 nan 0.000 0.445 752 L N 5.293 126.594 121.223 0.131 0.000 2.321 752 L HA 0.434 4.678 4.340 -0.161 0.000 0.272 752 L C -0.230 176.693 176.870 0.089 0.000 1.050 752 L CA -0.027 54.881 54.840 0.113 0.000 0.893 752 L CB 0.061 42.166 42.059 0.076 0.000 1.272 752 L HN 0.603 nan 8.230 nan 0.000 0.435 753 D N 0.570 121.028 120.400 0.097 0.000 2.340 753 D HA 0.150 4.693 4.640 -0.161 0.000 0.251 753 D C -0.313 176.063 176.300 0.126 0.000 1.080 753 D CA -0.176 53.885 54.000 0.102 0.000 0.971 753 D CB 1.101 41.955 40.800 0.091 0.000 1.137 753 D HN 0.369 nan 8.370 nan 0.000 0.475 754 H N 2.246 121.339 119.070 0.039 0.000 2.517 754 H HA 0.123 4.583 4.556 -0.160 0.000 0.317 754 H C -0.690 174.670 175.328 0.053 0.000 1.080 754 H CA -0.638 55.434 56.048 0.040 0.000 1.301 754 H CB 0.411 30.175 29.762 0.005 0.000 1.425 754 H HN 0.208 nan 8.280 nan 0.000 0.471 755 F N 6.952 126.483 119.950 -0.698 0.000 2.518 755 F HA 0.092 4.525 4.527 -0.156 0.000 0.375 755 F C -0.537 174.920 175.800 -0.572 0.000 1.097 755 F CA -0.397 57.283 58.000 -0.533 0.000 1.108 755 F CB -0.022 38.764 39.000 -0.356 0.000 1.078 755 F HN 0.446 nan 8.300 nan 0.000 0.564 756 L N 6.312 126.829 121.223 -1.177 0.000 2.295 756 L HA 0.166 4.409 4.340 -0.161 0.000 0.288 756 L C 0.243 176.387 176.870 -1.210 0.000 1.079 756 L CA -0.541 53.720 54.840 -0.966 0.000 0.830 756 L CB 0.179 41.811 42.059 -0.710 0.000 1.200 756 L HN 0.517 nan 8.230 nan 0.000 0.438 757 D N 2.611 122.542 120.400 -0.783 0.000 2.371 757 D HA -0.023 4.520 4.640 -0.161 0.000 0.242 757 D C 0.422 176.578 176.300 -0.241 0.000 1.218 757 D CA 0.071 53.841 54.000 -0.384 0.000 0.945 757 D CB 0.682 41.443 40.800 -0.064 0.000 1.137 757 D HN 0.494 nan 8.370 nan 0.000 0.464 758 D N -0.342 120.004 120.400 -0.089 0.000 2.706 758 D HA -0.202 4.341 4.640 -0.161 0.000 0.230 758 D C -0.863 175.380 176.300 -0.095 0.000 1.184 758 D CA 0.854 54.822 54.000 -0.052 0.000 0.628 758 D CB -1.051 39.734 40.800 -0.025 0.000 1.019 758 D HN 0.375 nan 8.370 nan 0.000 0.415 759 A N -0.125 122.616 122.820 -0.132 0.000 2.337 759 A HA 0.596 4.819 4.320 -0.161 0.000 0.329 759 A C 0.134 177.672 177.584 -0.076 0.000 1.146 759 A CA -0.583 51.369 52.037 -0.141 0.000 0.800 759 A CB 1.899 20.750 19.000 -0.248 0.000 1.220 759 A HN 0.055 nan 8.150 nan 0.000 0.472 760 V N 2.124 121.998 119.914 -0.066 0.000 2.465 760 V HA 0.238 4.261 4.120 -0.161 0.000 0.279 760 V C 0.484 176.537 176.094 -0.068 0.000 1.045 760 V CA -0.221 62.051 62.300 -0.046 0.000 0.938 760 V CB 1.286 33.070 31.823 -0.066 0.000 0.986 760 V HN 0.998 nan 8.190 nan 0.000 0.467 761 E N 3.523 123.663 120.200 -0.100 0.000 2.242 761 E HA 0.662 4.915 4.350 -0.161 0.000 0.275 761 E C -1.581 174.689 176.600 -0.550 0.000 1.002 761 E CA -0.434 55.785 56.400 -0.301 0.000 0.841 761 E CB 1.890 31.411 29.700 -0.298 0.000 1.109 761 E HN 0.448 nan 8.360 nan 0.000 0.394 762 V N 3.660 123.331 119.914 -0.404 0.000 2.808 762 V HA 0.261 4.285 4.120 -0.161 0.000 0.308 762 V C -1.011 175.075 176.094 -0.013 0.000 1.099 762 V CA -0.907 61.282 62.300 -0.186 0.000 0.920 762 V CB 2.236 34.078 31.823 0.032 0.000 1.014 762 V HN 0.749 nan 8.190 nan 0.000 0.425 763 D N 2.253 122.716 120.400 0.105 0.000 2.278 763 D HA 0.639 5.182 4.640 -0.161 0.000 0.245 763 D C -1.207 175.196 176.300 0.172 0.000 1.052 763 D CA -0.050 54.049 54.000 0.165 0.000 0.834 763 D CB 2.498 43.444 40.800 0.243 0.000 1.194 763 D HN 0.290 nan 8.370 nan 0.000 0.481 764 V N 2.901 122.902 119.914 0.146 0.000 2.531 764 V HA 0.273 4.296 4.120 -0.161 0.000 0.301 764 V C -0.417 175.726 176.094 0.081 0.000 1.034 764 V CA -0.936 61.450 62.300 0.142 0.000 0.865 764 V CB 2.210 34.168 31.823 0.224 0.000 0.995 764 V HN 0.386 nan 8.190 nan 0.000 0.424 765 D N 3.539 123.980 120.400 0.068 0.000 2.256 765 D HA 0.798 5.341 4.640 -0.161 0.000 0.240 765 D C -0.098 176.220 176.300 0.029 0.000 1.062 765 D CA 0.207 54.230 54.000 0.039 0.000 0.832 765 D CB 2.295 43.114 40.800 0.032 0.000 1.135 765 D HN 0.829 nan 8.370 nan 0.000 0.484 766 A N 2.448 125.279 122.820 0.017 0.000 2.569 766 A HA 0.770 4.993 4.320 -0.161 0.000 0.290 766 A C -1.126 176.458 177.584 0.001 0.000 1.136 766 A CA -0.679 51.362 52.037 0.007 0.000 0.710 766 A CB 1.330 20.328 19.000 -0.002 0.000 1.303 766 A HN 0.492 nan 8.150 nan 0.000 0.413 767 I N 0.576 121.144 120.570 -0.004 0.000 2.418 767 I HA 0.411 4.484 4.170 -0.161 0.000 0.287 767 I C -0.574 175.523 176.117 -0.033 0.000 1.008 767 I CA -0.458 60.843 61.300 0.001 0.000 1.104 767 I CB 1.414 39.431 38.000 0.028 0.000 1.264 767 I HN 0.649 nan 8.210 nan 0.000 0.438 768 C N 5.596 124.865 119.300 -0.053 0.000 2.411 768 C HA 0.510 4.873 4.460 -0.161 0.000 0.330 768 C C 0.560 175.544 174.990 -0.011 0.000 1.224 768 C CA -0.299 58.660 59.018 -0.100 0.000 1.770 768 C CB 0.928 28.527 27.740 -0.235 0.000 2.297 768 C HN 0.928 nan 8.230 nan 0.000 0.507 769 D N 1.362 121.787 120.400 0.042 0.000 2.501 769 D HA 0.277 4.820 4.640 -0.161 0.000 0.224 769 D C 1.270 177.640 176.300 0.117 0.000 1.202 769 D CA 0.559 54.602 54.000 0.073 0.000 0.829 769 D CB -0.088 40.752 40.800 0.067 0.000 1.023 769 D HN 1.337 nan 8.370 nan 0.000 0.499 770 G N 0.406 109.316 108.800 0.184 0.000 2.253 770 G HA2 -0.391 3.472 3.960 -0.161 0.000 0.251 770 G HA3 -0.391 3.472 3.960 -0.161 0.000 0.251 770 G C 0.896 175.982 174.900 0.310 0.000 0.998 770 G CA 0.549 45.803 45.100 0.256 0.000 0.621 770 G HN 0.452 nan 8.290 nan 0.000 0.524 771 E N -0.701 119.669 120.200 0.283 0.000 2.192 771 E HA 0.457 4.711 4.350 -0.161 0.000 0.196 771 E C 1.521 178.314 176.600 0.322 0.000 0.922 771 E CA 0.546 57.063 56.400 0.195 0.000 0.924 771 E CB 0.141 29.911 29.700 0.117 0.000 0.911 771 E HN 0.684 nan 8.360 nan 0.000 0.478 772 M N -0.505 119.281 119.600 0.310 0.000 2.719 772 M HA 0.596 4.979 4.480 -0.161 0.000 0.291 772 M C -1.489 174.894 176.300 0.140 0.000 1.264 772 M CA -0.856 54.627 55.300 0.305 0.000 0.811 772 M CB 2.465 35.165 32.600 0.167 0.000 1.756 772 M HN -0.239 nan 8.290 nan 0.000 0.464 773 V N 2.257 122.210 119.914 0.065 0.000 2.577 773 V HA 0.554 4.577 4.120 -0.161 0.000 0.303 773 V C -1.312 174.776 176.094 -0.010 0.000 1.042 773 V CA -0.684 61.569 62.300 -0.079 0.000 0.872 773 V CB 1.776 33.455 31.823 -0.239 0.000 0.998 773 V HN 0.781 nan 8.190 nan 0.000 0.423 774 L N 6.070 127.285 121.223 -0.014 0.000 2.313 774 L HA 0.655 4.898 4.340 -0.161 0.000 0.283 774 L C -0.695 176.174 176.870 -0.001 0.000 1.013 774 L CA -0.057 54.784 54.840 0.002 0.000 0.816 774 L CB 1.280 43.345 42.059 0.010 0.000 1.236 774 L HN 0.448 nan 8.230 nan 0.000 0.419 775 I N 5.729 126.300 120.570 0.002 0.000 2.322 775 I HA 0.236 4.309 4.170 -0.161 0.000 0.292 775 I C 1.403 177.521 176.117 0.002 0.000 1.060 775 I CA 0.235 61.539 61.300 0.006 0.000 1.309 775 I CB 0.457 38.462 38.000 0.010 0.000 1.415 775 I HN 0.891 nan 8.210 nan 0.000 0.492 776 G N 5.646 114.450 108.800 0.006 0.000 2.464 776 G HA2 0.169 4.032 3.960 -0.161 0.000 0.214 776 G HA3 0.169 4.032 3.960 -0.161 0.000 0.214 776 G C 0.625 175.519 174.900 -0.010 0.000 1.218 776 G CA 0.754 45.854 45.100 -0.001 0.000 0.794 776 G HN 0.758 nan 8.290 nan 0.000 0.542 777 G N -1.107 107.700 108.800 0.012 0.000 2.733 777 G HA2 0.463 4.326 3.960 -0.161 0.000 0.297 777 G HA3 0.463 4.326 3.960 -0.161 0.000 0.297 777 G C -1.410 173.529 174.900 0.064 0.000 1.452 777 G CA -0.779 44.332 45.100 0.018 0.000 0.940 777 G HN 0.171 nan 8.290 nan 0.000 0.547 778 I N 1.836 122.449 120.570 0.071 0.000 2.330 778 I HA 0.391 4.464 4.170 -0.161 0.000 0.289 778 I C -0.261 175.947 176.117 0.151 0.000 1.001 778 I CA -0.398 60.963 61.300 0.101 0.000 1.193 778 I CB 1.676 39.715 38.000 0.065 0.000 1.345 778 I HN 0.265 nan 8.210 nan 0.000 0.461 779 M N 5.873 125.593 119.600 0.200 0.000 2.181 779 M HA 0.322 4.705 4.480 -0.161 0.000 0.323 779 M C -0.191 176.277 176.300 0.280 0.000 1.004 779 M CA -0.334 55.137 55.300 0.285 0.000 0.941 779 M CB 2.122 34.932 32.600 0.349 0.000 1.579 779 M HN 0.442 nan 8.290 nan 0.000 0.427 780 E N 3.494 123.882 120.200 0.313 0.000 2.146 780 E HA 0.226 4.480 4.350 -0.161 0.000 0.282 780 E C -0.954 175.907 176.600 0.434 0.000 0.989 780 E CA -0.425 56.142 56.400 0.279 0.000 0.799 780 E CB 0.811 30.651 29.700 0.234 0.000 1.088 780 E HN 0.662 nan 8.360 nan 0.000 0.397 781 H N 3.354 122.543 119.070 0.198 0.000 2.690 781 H HA 0.021 4.479 4.556 -0.162 0.000 0.365 781 H C 0.799 176.281 175.328 0.257 0.000 1.142 781 H CA -0.776 55.389 56.048 0.195 0.000 1.417 781 H CB 1.143 30.985 29.762 0.132 0.000 1.446 781 H HN 0.549 nan 8.280 nan 0.000 0.599 782 I N 1.098 121.896 120.570 0.380 0.000 2.206 782 I HA -0.112 3.962 4.170 -0.161 0.000 0.239 782 I C 0.681 176.958 176.117 0.267 0.000 1.078 782 I CA 1.034 62.531 61.300 0.329 0.000 1.367 782 I CB -0.186 37.968 38.000 0.257 0.000 1.078 782 I HN 0.602 nan 8.210 nan 0.000 0.413 783 E N 1.957 122.299 120.200 0.237 0.000 2.398 783 E HA 0.054 4.307 4.350 -0.161 0.000 0.263 783 E C 0.206 176.937 176.600 0.218 0.000 1.046 783 E CA -0.282 56.239 56.400 0.203 0.000 0.908 783 E CB 0.239 30.042 29.700 0.172 0.000 0.963 783 E HN 0.162 nan 8.360 nan 0.000 0.431 784 Q N 1.452 121.355 119.800 0.172 0.000 2.535 784 Q HA 0.236 4.479 4.340 -0.161 0.000 0.228 784 Q C -0.422 175.665 176.000 0.145 0.000 1.062 784 Q CA -0.498 55.385 55.803 0.134 0.000 0.967 784 Q CB 0.493 29.297 28.738 0.109 0.000 1.273 784 Q HN 0.485 nan 8.270 nan 0.000 0.554 785 A N -0.124 122.739 122.820 0.072 0.000 2.520 785 A HA 0.458 4.681 4.320 -0.161 0.000 0.245 785 A C 1.060 178.757 177.584 0.189 0.000 1.072 785 A CA 0.731 52.810 52.037 0.070 0.000 0.761 785 A CB -0.671 18.295 19.000 -0.055 0.000 1.004 785 A HN 1.298 nan 8.150 nan 0.000 0.499 786 G N 0.829 109.779 108.800 0.250 0.000 2.797 786 G HA2 -0.085 3.778 3.960 -0.161 0.000 0.195 786 G HA3 -0.085 3.778 3.960 -0.161 0.000 0.195 786 G C -0.005 175.001 174.900 0.176 0.000 1.026 786 G CA 0.028 45.325 45.100 0.329 0.000 0.759 786 G HN 1.326 nan 8.290 nan 0.000 0.475 787 V N 3.733 123.755 119.914 0.179 0.000 2.350 787 V HA 0.422 4.445 4.120 -0.161 0.000 0.276 787 V C 0.803 177.007 176.094 0.184 0.000 1.028 787 V CA -0.980 61.420 62.300 0.167 0.000 0.860 787 V CB 1.105 33.024 31.823 0.161 0.000 0.990 787 V HN 0.448 nan 8.190 nan 0.000 0.453 788 H N 3.708 122.823 119.070 0.075 0.000 3.134 788 H HA -0.095 4.376 4.556 -0.142 0.000 0.326 788 H C 1.616 176.970 175.328 0.042 0.000 1.017 788 H CA 1.106 57.189 56.048 0.060 0.000 1.359 788 H CB 1.114 30.890 29.762 0.024 0.000 1.300 788 H HN 0.866 nan 8.280 nan 0.000 0.596 789 S N 2.617 118.184 115.700 -0.221 0.000 2.400 789 S HA -0.135 4.238 4.470 -0.161 0.000 0.232 789 S C 2.232 176.786 174.600 -0.078 0.000 1.025 789 S CA 0.872 58.987 58.200 -0.142 0.000 0.993 789 S CB -0.489 62.693 63.200 -0.030 0.000 0.808 789 S HN 0.730 nan 8.310 nan 0.000 0.478 790 G N 1.074 110.063 108.800 0.315 0.000 2.471 790 G HA2 -0.056 3.808 3.960 -0.161 0.000 0.219 790 G HA3 -0.056 3.808 3.960 -0.161 0.000 0.219 790 G C 0.845 175.802 174.900 0.095 0.000 1.125 790 G CA 0.823 46.087 45.100 0.274 0.000 0.775 790 G HN 0.556 nan 8.290 nan 0.000 0.548 791 D N -0.148 120.321 120.400 0.115 0.000 2.395 791 D HA 0.190 4.733 4.640 -0.161 0.000 0.213 791 D C 0.554 176.859 176.300 0.009 0.000 1.110 791 D CA 0.041 54.065 54.000 0.039 0.000 0.835 791 D CB 0.752 41.590 40.800 0.063 0.000 0.965 791 D HN 0.060 nan 8.370 nan 0.000 0.505 792 S N 0.503 116.167 115.700 -0.058 0.000 2.610 792 S HA 0.635 5.008 4.470 -0.161 0.000 0.273 792 S C 0.257 174.780 174.600 -0.129 0.000 1.274 792 S CA -0.687 57.449 58.200 -0.107 0.000 1.023 792 S CB 1.858 64.863 63.200 -0.325 0.000 0.962 792 S HN 0.225 nan 8.310 nan 0.000 0.523 793 A N 0.918 123.726 122.820 -0.020 0.000 2.302 793 A HA 0.678 4.901 4.320 -0.161 0.000 0.285 793 A C 0.208 177.806 177.584 0.023 0.000 1.105 793 A CA -0.624 51.414 52.037 0.002 0.000 0.816 793 A CB -0.205 18.899 19.000 0.173 0.000 1.067 793 A HN 1.175 nan 8.150 nan 0.000 0.489 794 C N -0.309 118.994 119.300 0.005 0.000 3.173 794 C HA 0.878 5.241 4.460 -0.161 0.000 0.310 794 C C -0.277 174.854 174.990 0.235 0.000 1.306 794 C CA -0.534 58.567 59.018 0.139 0.000 1.426 794 C CB 0.992 28.804 27.740 0.121 0.000 1.800 794 C HN 0.982 nan 8.230 nan 0.000 0.470 795 S N 1.044 116.977 115.700 0.389 0.000 2.502 795 S HA 0.792 5.165 4.470 -0.161 0.000 0.304 795 S C -1.273 173.623 174.600 0.493 0.000 1.097 795 S CA -0.508 57.984 58.200 0.487 0.000 1.045 795 S CB 1.030 64.570 63.200 0.567 0.000 1.019 795 S HN 0.962 nan 8.310 nan 0.000 0.481 796 L N 7.012 128.533 121.223 0.497 0.000 2.406 796 L HA 0.616 4.859 4.340 -0.161 0.000 0.270 796 L C -2.509 174.516 176.870 0.258 0.000 0.982 796 L CA -2.039 52.995 54.840 0.322 0.000 0.843 796 L CB 2.294 44.461 42.059 0.179 0.000 1.225 796 L HN 0.490 nan 8.230 nan 0.000 0.412 797 P HA 0.249 nan 4.420 nan 0.000 0.282 797 P C -0.662 176.862 177.300 0.374 0.000 1.287 797 P CA -0.462 62.743 63.100 0.176 0.000 0.792 797 P CB 0.672 32.386 31.700 0.023 0.000 1.163 798 A N 0.340 123.321 122.820 0.267 0.000 2.583 798 A HA 0.021 4.245 4.320 -0.161 0.000 0.231 798 A C 0.488 178.277 177.584 0.341 0.000 1.065 798 A CA 0.523 52.721 52.037 0.268 0.000 0.760 798 A CB -0.916 18.144 19.000 0.101 0.000 1.001 798 A HN 0.744 nan 8.150 nan 0.000 0.509 799 Y N -0.633 119.688 120.300 0.035 0.000 2.430 799 Y HA 0.312 4.765 4.550 -0.163 0.000 0.248 799 Y C 1.300 177.088 175.900 -0.186 0.000 1.108 799 Y CA 0.699 58.718 58.100 -0.134 0.000 1.264 799 Y CB -0.240 37.850 38.460 -0.615 0.000 1.172 799 Y HN 0.664 nan 8.280 nan 0.000 0.520 800 T N -2.607 111.571 114.554 -0.627 0.000 3.073 800 T HA 0.319 4.572 4.350 -0.161 0.000 0.264 800 T C 0.015 174.539 174.700 -0.293 0.000 0.893 800 T CA -0.226 61.573 62.100 -0.502 0.000 0.863 800 T CB -0.695 67.762 68.868 -0.685 0.000 1.247 800 T HN 0.097 nan 8.240 nan 0.000 0.546 801 L N 4.103 125.184 121.223 -0.236 0.000 2.410 801 L HA 0.439 4.682 4.340 -0.161 0.000 0.273 801 L C 0.913 177.721 176.870 -0.104 0.000 1.152 801 L CA -0.535 54.216 54.840 -0.148 0.000 0.855 801 L CB 0.813 42.803 42.059 -0.115 0.000 1.129 801 L HN 0.410 nan 8.230 nan 0.000 0.463 802 S N 1.907 117.548 115.700 -0.098 0.000 2.562 802 S HA 0.016 4.389 4.470 -0.161 0.000 0.281 802 S C 0.769 175.328 174.600 -0.068 0.000 1.333 802 S CA -0.554 57.600 58.200 -0.078 0.000 1.052 802 S CB 1.451 64.606 63.200 -0.074 0.000 0.884 802 S HN 0.693 nan 8.310 nan 0.000 0.506 803 Q N 1.948 121.715 119.800 -0.055 0.000 2.112 803 Q HA -0.248 3.995 4.340 -0.161 0.000 0.206 803 Q C 2.032 177.998 176.000 -0.057 0.000 0.987 803 Q CA 2.594 58.367 55.803 -0.050 0.000 0.858 803 Q CB -0.540 28.174 28.738 -0.040 0.000 0.905 803 Q HN 0.993 nan 8.270 nan 0.000 0.420 804 E N -0.449 119.717 120.200 -0.057 0.000 2.097 804 E HA -0.227 4.026 4.350 -0.161 0.000 0.196 804 E C 1.980 178.534 176.600 -0.076 0.000 1.000 804 E CA 1.446 57.811 56.400 -0.059 0.000 0.804 804 E CB -0.389 29.279 29.700 -0.053 0.000 0.740 804 E HN 0.573 nan 8.360 nan 0.000 0.454 805 I N 0.740 121.258 120.570 -0.087 0.000 2.353 805 I HA -0.235 3.838 4.170 -0.161 0.000 0.248 805 I C 2.344 178.374 176.117 -0.145 0.000 1.119 805 I CA 1.178 62.410 61.300 -0.114 0.000 1.417 805 I CB -0.256 37.679 38.000 -0.108 0.000 1.078 805 I HN 0.331 nan 8.210 nan 0.000 0.421 806 Q N 0.167 119.898 119.800 -0.116 0.000 2.050 806 Q HA -0.232 4.011 4.340 -0.161 0.000 0.202 806 Q C 1.688 177.618 176.000 -0.117 0.000 0.980 806 Q CA 1.499 57.231 55.803 -0.118 0.000 0.840 806 Q CB -0.235 28.460 28.738 -0.071 0.000 0.898 806 Q HN 0.484 nan 8.270 nan 0.000 0.424 807 D N 0.496 120.844 120.400 -0.087 0.000 2.158 807 D HA -0.138 4.405 4.640 -0.161 0.000 0.197 807 D C 2.019 178.268 176.300 -0.084 0.000 0.995 807 D CA 1.024 54.983 54.000 -0.069 0.000 0.846 807 D CB -0.048 40.721 40.800 -0.052 0.000 0.941 807 D HN 0.072 nan 8.370 nan 0.000 0.456 808 V N 0.804 120.649 119.914 -0.116 0.000 2.358 808 V HA -0.224 3.799 4.120 -0.161 0.000 0.246 808 V C 2.537 178.516 176.094 -0.191 0.000 1.047 808 V CA 1.255 63.476 62.300 -0.132 0.000 1.035 808 V CB -0.346 31.384 31.823 -0.155 0.000 0.658 808 V HN 0.178 nan 8.190 nan 0.000 0.452 809 M N -0.861 118.558 119.600 -0.303 0.000 2.132 809 M HA -0.127 4.256 4.480 -0.161 0.000 0.263 809 M C 2.466 178.670 176.300 -0.160 0.000 1.065 809 M CA 1.671 56.671 55.300 -0.500 0.000 1.122 809 M CB -0.378 31.770 32.600 -0.754 0.000 1.365 809 M HN 0.191 nan 8.290 nan 0.000 0.411 810 R N -0.205 120.243 120.500 -0.087 0.000 2.117 810 R HA -0.212 4.031 4.340 -0.161 0.000 0.243 810 R C 2.113 178.427 176.300 0.024 0.000 1.143 810 R CA 1.465 57.561 56.100 -0.007 0.000 0.968 810 R CB -0.539 29.753 30.300 -0.013 0.000 0.863 810 R HN 0.589 nan 8.270 nan 0.000 0.444 811 Q N 0.596 120.400 119.800 0.006 0.000 2.049 811 Q HA -0.168 4.075 4.340 -0.161 0.000 0.198 811 Q C 2.129 178.173 176.000 0.074 0.000 0.971 811 Q CA 1.283 57.107 55.803 0.035 0.000 0.833 811 Q CB 0.113 28.856 28.738 0.010 0.000 0.896 811 Q HN 0.379 nan 8.270 nan 0.000 0.434 812 Q N -0.534 119.321 119.800 0.091 0.000 2.096 812 Q HA -0.173 4.070 4.340 -0.161 0.000 0.204 812 Q C 2.089 178.208 176.000 0.197 0.000 0.982 812 Q CA 1.662 57.569 55.803 0.174 0.000 0.850 812 Q CB 0.050 28.965 28.738 0.294 0.000 0.901 812 Q HN 0.205 nan 8.270 nan 0.000 0.422 813 V N 0.515 120.564 119.914 0.225 0.000 2.295 813 V HA -0.343 3.680 4.120 -0.161 0.000 0.246 813 V C 2.290 178.408 176.094 0.040 0.000 1.049 813 V CA 2.256 64.647 62.300 0.151 0.000 1.024 813 V CB -0.660 31.255 31.823 0.154 0.000 0.648 813 V HN 0.462 nan 8.190 nan 0.000 0.447 814 Q N 0.172 119.993 119.800 0.035 0.000 2.014 814 Q HA -0.318 3.925 4.340 -0.161 0.000 0.207 814 Q C 2.261 178.289 176.000 0.046 0.000 0.993 814 Q CA 2.437 58.230 55.803 -0.015 0.000 0.850 814 Q CB -0.200 28.600 28.738 0.103 0.000 0.916 814 Q HN 0.536 nan 8.270 nan 0.000 0.417 815 K N -0.074 120.408 120.400 0.136 0.000 2.059 815 K HA -0.201 4.022 4.320 -0.161 0.000 0.212 815 K C 2.016 178.693 176.600 0.129 0.000 1.050 815 K CA 2.000 58.384 56.287 0.162 0.000 0.927 815 K CB -0.271 32.297 32.500 0.113 0.000 0.714 815 K HN 0.253 nan 8.250 nan 0.000 0.447 816 L N -0.234 121.038 121.223 0.081 0.000 1.994 816 L HA -0.202 4.041 4.340 -0.161 0.000 0.208 816 L C 2.491 179.374 176.870 0.022 0.000 1.071 816 L CA 1.338 56.219 54.840 0.069 0.000 0.745 816 L CB -0.800 41.312 42.059 0.088 0.000 0.892 816 L HN 0.232 nan 8.230 nan 0.000 0.431 817 A N 0.576 123.340 122.820 -0.093 0.000 1.881 817 A HA -0.278 3.945 4.320 -0.161 0.000 0.219 817 A C 2.068 179.558 177.584 -0.156 0.000 1.215 817 A CA 2.297 54.202 52.037 -0.220 0.000 0.648 817 A CB -1.111 17.583 19.000 -0.510 0.000 0.832 817 A HN 0.298 nan 8.150 nan 0.000 0.455 818 F N -0.302 119.674 119.950 0.043 0.000 2.069 818 F HA -0.118 4.313 4.527 -0.160 0.000 0.298 818 F C 2.407 178.227 175.800 0.034 0.000 1.113 818 F CA 1.721 59.742 58.000 0.034 0.000 1.214 818 F CB -1.064 37.953 39.000 0.029 0.000 0.978 818 F HN 0.353 nan 8.300 nan 0.000 0.474 819 E N 0.708 121.044 120.200 0.225 0.000 2.118 819 E HA -0.180 4.073 4.350 -0.161 0.000 0.195 819 E C 2.032 178.696 176.600 0.107 0.000 0.992 819 E CA 1.299 57.782 56.400 0.137 0.000 0.804 819 E CB -0.522 29.239 29.700 0.101 0.000 0.741 819 E HN 0.420 nan 8.360 nan 0.000 0.458 820 L N -0.552 120.728 121.223 0.096 0.000 2.395 820 L HA -0.023 4.220 4.340 -0.161 0.000 0.218 820 L C 0.327 177.239 176.870 0.069 0.000 1.130 820 L CA 0.448 55.334 54.840 0.078 0.000 0.826 820 L CB -0.064 42.036 42.059 0.069 0.000 0.941 820 L HN 0.193 nan 8.230 nan 0.000 0.451 821 Q N -0.480 119.371 119.800 0.085 0.000 2.464 821 Q HA -0.126 4.117 4.340 -0.161 0.000 0.286 821 Q C -0.696 175.337 176.000 0.056 0.000 1.343 821 Q CA 0.326 56.179 55.803 0.084 0.000 0.772 821 Q CB -2.317 26.462 28.738 0.067 0.000 1.160 821 Q HN 0.119 nan 8.270 nan 0.000 0.422 822 V N 1.469 121.401 119.914 0.031 0.000 2.686 822 V HA 0.417 4.440 4.120 -0.161 0.000 0.295 822 V C 0.781 176.883 176.094 0.014 0.000 1.055 822 V CA 0.111 62.415 62.300 0.007 0.000 1.050 822 V CB 1.356 33.160 31.823 -0.031 0.000 0.984 822 V HN 0.210 nan 8.190 nan 0.000 0.482 823 R N 3.865 124.379 120.500 0.023 0.000 2.625 823 R HA 0.579 4.822 4.340 -0.161 0.000 0.286 823 R C 0.258 176.578 176.300 0.033 0.000 1.406 823 R CA 0.319 56.436 56.100 0.028 0.000 1.052 823 R CB 1.251 31.569 30.300 0.030 0.000 1.203 823 R HN 1.057 nan 8.270 nan 0.000 0.502 824 G N 1.812 110.637 108.800 0.041 0.000 2.436 824 G HA2 -0.153 3.710 3.960 -0.161 0.000 0.205 824 G HA3 -0.153 3.710 3.960 -0.161 0.000 0.205 824 G C -1.186 173.765 174.900 0.086 0.000 1.188 824 G CA -0.869 44.275 45.100 0.075 0.000 1.267 824 G HN 0.276 nan 8.290 nan 0.000 0.536 825 L N 1.884 123.186 121.223 0.132 0.000 2.343 825 L HA 0.857 5.100 4.340 -0.161 0.000 0.275 825 L C 0.713 177.617 176.870 0.057 0.000 1.056 825 L CA -0.593 54.306 54.840 0.098 0.000 0.804 825 L CB 1.605 43.736 42.059 0.120 0.000 1.203 825 L HN 0.918 nan 8.230 nan 0.000 0.440 826 M N 2.128 121.743 119.600 0.025 0.000 2.520 826 M HA 0.473 4.856 4.480 -0.161 0.000 0.283 826 M C -2.030 174.266 176.300 -0.005 0.000 1.237 826 M CA -0.682 54.619 55.300 0.003 0.000 0.885 826 M CB 2.474 35.063 32.600 -0.018 0.000 1.727 826 M HN 0.549 nan 8.290 nan 0.000 0.468 827 N N 2.257 120.943 118.700 -0.024 0.000 2.352 827 N HA 0.607 5.250 4.740 -0.161 0.000 0.291 827 N C -2.276 173.187 175.510 -0.077 0.000 1.040 827 N CA -0.268 52.767 53.050 -0.026 0.000 0.864 827 N CB 2.647 41.129 38.487 -0.009 0.000 1.440 827 N HN 0.670 nan 8.380 nan 0.000 0.483 828 V N 2.606 122.472 119.914 -0.080 0.000 2.555 828 V HA 0.411 4.434 4.120 -0.161 0.000 0.302 828 V C -0.296 175.635 176.094 -0.271 0.000 1.038 828 V CA -0.720 61.449 62.300 -0.220 0.000 0.887 828 V CB 1.658 33.308 31.823 -0.289 0.000 0.991 828 V HN 0.631 nan 8.190 nan 0.000 0.434 829 Q N 3.053 122.624 119.800 -0.382 0.000 2.322 829 Q HA 0.694 4.938 4.340 -0.161 0.000 0.265 829 Q C -1.468 174.302 176.000 -0.383 0.000 0.985 829 Q CA -0.134 55.507 55.803 -0.271 0.000 0.849 829 Q CB 2.113 30.764 28.738 -0.144 0.000 1.274 829 Q HN 0.669 nan 8.270 nan 0.000 0.449 830 F N 0.395 120.330 119.950 -0.025 0.000 2.661 830 F HA 0.883 5.314 4.527 -0.160 0.000 0.347 830 F C -0.201 175.574 175.800 -0.043 0.000 1.086 830 F CA -1.173 56.826 58.000 -0.003 0.000 1.016 830 F CB 1.556 40.559 39.000 0.004 0.000 1.368 830 F HN 0.461 nan 8.300 nan 0.000 0.505 831 A N 0.364 123.346 122.820 0.269 0.000 2.437 831 A HA 0.690 4.913 4.320 -0.161 0.000 0.293 831 A C -1.966 175.699 177.584 0.135 0.000 1.038 831 A CA -0.577 51.519 52.037 0.097 0.000 0.708 831 A CB 1.221 20.213 19.000 -0.014 0.000 1.251 831 A HN 0.458 nan 8.150 nan 0.000 0.409 832 V N 3.119 123.058 119.914 0.040 0.000 2.294 832 V HA 0.391 4.414 4.120 -0.161 0.000 0.272 832 V C 0.153 176.253 176.094 0.010 0.000 1.027 832 V CA -0.288 62.041 62.300 0.047 0.000 0.823 832 V CB 0.846 32.656 31.823 -0.021 0.000 1.030 832 V HN 0.802 nan 8.190 nan 0.000 0.457 833 K N 3.864 124.308 120.400 0.072 0.000 2.323 833 K HA 0.418 4.641 4.320 -0.161 0.000 0.259 833 K C 0.218 176.876 176.600 0.097 0.000 0.947 833 K CA -0.591 55.697 56.287 0.001 0.000 0.819 833 K CB 0.625 33.011 32.500 -0.191 0.000 1.109 833 K HN 0.757 nan 8.250 nan 0.000 0.429 834 N N 3.988 122.704 118.700 0.027 0.000 2.688 834 N HA -0.297 4.346 4.740 -0.161 0.000 0.258 834 N C -0.409 175.118 175.510 0.029 0.000 1.016 834 N CA 0.835 53.900 53.050 0.025 0.000 0.747 834 N CB -1.172 37.335 38.487 0.034 0.000 0.895 834 N HN 0.971 nan 8.380 nan 0.000 0.543 835 N N -1.415 117.289 118.700 0.006 0.000 2.732 835 N HA -0.252 4.391 4.740 -0.161 0.000 0.250 835 N C -1.152 174.354 175.510 -0.006 0.000 1.097 835 N CA 1.394 54.436 53.050 -0.014 0.000 0.812 835 N CB -0.201 38.268 38.487 -0.030 0.000 1.148 835 N HN 0.658 nan 8.380 nan 0.000 0.572 836 E N 0.346 120.578 120.200 0.053 0.000 2.179 836 E HA 0.374 4.627 4.350 -0.161 0.000 0.275 836 E C -0.450 176.194 176.600 0.073 0.000 0.945 836 E CA -0.666 55.739 56.400 0.009 0.000 0.792 836 E CB 2.238 31.911 29.700 -0.045 0.000 1.125 836 E HN -0.059 nan 8.360 nan 0.000 0.397 837 V N 4.245 124.121 119.914 -0.063 0.000 2.348 837 V HA 0.172 4.195 4.120 -0.161 0.000 0.270 837 V C -0.893 175.221 176.094 0.033 0.000 1.037 837 V CA -0.423 61.882 62.300 0.008 0.000 0.872 837 V CB -0.469 31.274 31.823 -0.134 0.000 1.002 837 V HN 0.513 nan 8.190 nan 0.000 0.464 838 Y N 4.260 124.622 120.300 0.104 0.000 2.387 838 Y HA 0.571 5.025 4.550 -0.160 0.000 0.330 838 Y C -0.017 176.015 175.900 0.221 0.000 1.133 838 Y CA -1.494 56.679 58.100 0.121 0.000 1.152 838 Y CB 1.235 39.726 38.460 0.051 0.000 1.215 838 Y HN 0.336 nan 8.280 nan 0.000 0.466 839 L N 3.655 125.056 121.223 0.296 0.000 2.257 839 L HA 0.343 4.586 4.340 -0.161 0.000 0.290 839 L C 0.417 177.378 176.870 0.152 0.000 1.044 839 L CA 0.195 55.143 54.840 0.179 0.000 0.810 839 L CB 0.304 42.445 42.059 0.138 0.000 1.193 839 L HN 0.789 nan 8.230 nan 0.000 0.425 840 I N 2.593 123.190 120.570 0.046 0.000 2.385 840 I HA 0.010 4.083 4.170 -0.161 0.000 0.244 840 I C 0.493 176.616 176.117 0.010 0.000 1.089 840 I CA 0.494 61.810 61.300 0.027 0.000 1.410 840 I CB 0.425 38.403 38.000 -0.036 0.000 1.117 840 I HN 0.768 nan 8.210 nan 0.000 0.429 841 E N -1.160 118.961 120.200 -0.132 0.000 2.421 841 E HA 0.405 4.658 4.350 -0.161 0.000 0.276 841 E C -1.587 174.693 176.600 -0.535 0.000 1.154 841 E CA -0.817 55.321 56.400 -0.436 0.000 0.883 841 E CB 1.710 31.181 29.700 -0.382 0.000 1.429 841 E HN -0.214 nan 8.360 nan 0.000 0.436 842 V N 1.463 120.890 119.914 -0.811 0.000 2.668 842 V HA 0.461 4.484 4.120 -0.161 0.000 0.304 842 V C -1.310 174.554 176.094 -0.383 0.000 1.071 842 V CA -1.015 60.985 62.300 -0.500 0.000 0.894 842 V CB 1.920 33.535 31.823 -0.347 0.000 1.008 842 V HN 0.624 nan 8.190 nan 0.000 0.425 843 N N 5.846 124.416 118.700 -0.216 0.000 2.501 843 N HA 0.359 5.002 4.740 -0.161 0.000 0.245 843 N C -2.477 172.986 175.510 -0.077 0.000 0.974 843 N CA -1.483 51.487 53.050 -0.132 0.000 0.941 843 N CB 2.258 40.709 38.487 -0.061 0.000 1.122 843 N HN 0.393 nan 8.380 nan 0.000 0.507 844 P HA 0.082 nan 4.420 nan 0.000 0.237 844 P C -0.520 176.793 177.300 0.021 0.000 1.723 844 P CA 0.161 63.247 63.100 -0.023 0.000 0.882 844 P CB -0.122 31.562 31.700 -0.027 0.000 1.810 845 R N -1.879 118.645 120.500 0.040 0.000 2.835 845 R HA 0.720 4.963 4.340 -0.161 0.000 0.271 845 R C -1.272 175.086 176.300 0.097 0.000 1.013 845 R CA -1.158 54.999 56.100 0.096 0.000 0.876 845 R CB -0.107 30.252 30.300 0.098 0.000 1.348 845 R HN -0.158 nan 8.270 nan 0.000 0.453 846 A N 0.645 123.533 122.820 0.114 0.000 2.451 846 A HA 0.617 4.840 4.320 -0.161 0.000 0.266 846 A C 0.159 177.824 177.584 0.135 0.000 1.119 846 A CA 0.218 52.260 52.037 0.008 0.000 0.786 846 A CB -0.214 18.636 19.000 -0.251 0.000 1.061 846 A HN 0.790 nan 8.150 nan 0.000 0.503 847 A N 2.459 125.291 122.820 0.021 0.000 2.269 847 A HA 0.578 4.801 4.320 -0.161 0.000 0.319 847 A C 1.351 178.782 177.584 -0.255 0.000 1.110 847 A CA -0.255 51.789 52.037 0.011 0.000 0.847 847 A CB 0.326 19.335 19.000 0.016 0.000 1.161 847 A HN 1.071 nan 8.150 nan 0.000 0.497 848 R N -0.494 119.812 120.500 -0.322 0.000 2.341 848 R HA -0.103 4.140 4.340 -0.161 0.000 0.213 848 R C 0.728 176.865 176.300 -0.272 0.000 1.082 848 R CA 1.978 57.785 56.100 -0.488 0.000 1.017 848 R CB -0.924 29.176 30.300 -0.333 0.000 0.860 848 R HN 0.658 nan 8.270 nan 0.000 0.473 849 T N -1.210 113.265 114.554 -0.133 0.000 3.043 849 T HA 0.070 4.323 4.350 -0.161 0.000 0.263 849 T C 1.965 176.664 174.700 -0.002 0.000 1.094 849 T CA 0.553 62.648 62.100 -0.008 0.000 1.127 849 T CB -0.121 68.792 68.868 0.075 0.000 0.905 849 T HN 0.037 nan 8.240 nan 0.000 0.490 850 V N 2.965 122.821 119.914 -0.098 0.000 2.250 850 V HA -0.175 3.848 4.120 -0.161 0.000 0.250 850 V C -0.162 175.846 176.094 -0.142 0.000 1.060 850 V CA 2.098 64.338 62.300 -0.100 0.000 1.030 850 V CB -1.766 29.982 31.823 -0.124 0.000 0.643 850 V HN 0.388 nan 8.190 nan 0.000 0.445 851 P HA -0.172 nan 4.420 nan 0.000 0.216 851 P C 1.765 178.919 177.300 -0.244 0.000 1.153 851 P CA 1.494 64.237 63.100 -0.595 0.000 0.848 851 P CB -0.207 30.843 31.700 -1.084 0.000 0.787 852 F N 0.629 120.429 119.950 -0.249 0.000 2.134 852 F HA -0.174 4.258 4.527 -0.158 0.000 0.299 852 F C 1.910 177.678 175.800 -0.053 0.000 1.097 852 F CA 1.364 59.286 58.000 -0.131 0.000 1.264 852 F CB -1.044 37.893 39.000 -0.105 0.000 1.001 852 F HN -0.309 nan 8.300 nan 0.000 0.479 853 V N -0.172 119.604 119.914 -0.231 0.000 2.307 853 V HA -0.279 3.744 4.120 -0.161 0.000 0.245 853 V C 2.526 178.509 176.094 -0.186 0.000 1.045 853 V CA 2.094 64.229 62.300 -0.275 0.000 1.024 853 V CB -1.044 30.726 31.823 -0.089 0.000 0.651 853 V HN 0.394 nan 8.190 nan 0.000 0.449 854 S N -0.445 115.207 115.700 -0.080 0.000 2.374 854 S HA -0.281 4.092 4.470 -0.161 0.000 0.227 854 S C 2.043 176.663 174.600 0.033 0.000 1.037 854 S CA 1.877 60.087 58.200 0.017 0.000 1.024 854 S CB -0.328 62.958 63.200 0.143 0.000 0.861 854 S HN 0.436 nan 8.310 nan 0.000 0.456 855 K N 1.392 121.797 120.400 0.008 0.000 2.097 855 K HA 0.170 4.393 4.320 -0.161 0.000 0.205 855 K C 2.083 178.743 176.600 0.099 0.000 1.050 855 K CA 1.058 57.404 56.287 0.098 0.000 0.938 855 K CB -0.479 32.038 32.500 0.029 0.000 0.718 855 K HN 0.315 nan 8.250 nan 0.000 0.442 856 A N -0.201 122.543 122.820 -0.128 0.000 1.898 856 A HA -0.116 4.107 4.320 -0.161 0.000 0.214 856 A C 2.189 179.740 177.584 -0.054 0.000 1.183 856 A CA 2.013 53.997 52.037 -0.089 0.000 0.622 856 A CB -0.987 17.793 19.000 -0.367 0.000 0.824 856 A HN 0.476 nan 8.150 nan 0.000 0.444 857 T N -4.601 109.856 114.554 -0.162 0.000 3.014 857 T HA 0.350 4.603 4.350 -0.161 0.000 0.263 857 T C 1.572 176.068 174.700 -0.340 0.000 1.078 857 T CA 1.387 63.365 62.100 -0.202 0.000 1.135 857 T CB -0.077 68.700 68.868 -0.151 0.000 0.895 857 T HN 1.705 nan 8.240 nan 0.000 0.480 858 G N 0.409 108.931 108.800 -0.464 0.000 2.175 858 G HA2 -0.201 3.662 3.960 -0.161 0.000 0.244 858 G HA3 -0.201 3.662 3.960 -0.161 0.000 0.244 858 G C 0.074 174.882 174.900 -0.152 0.000 0.982 858 G CA -0.063 44.616 45.100 -0.700 0.000 0.641 858 G HN 0.810 nan 8.290 nan 0.000 0.527 859 V N 2.576 122.437 119.914 -0.089 0.000 2.304 859 V HA 0.385 4.408 4.120 -0.161 0.000 0.269 859 V C -1.497 174.630 176.094 0.055 0.000 1.036 859 V CA -1.337 60.955 62.300 -0.013 0.000 0.840 859 V CB 1.264 33.069 31.823 -0.030 0.000 1.036 859 V HN 0.175 nan 8.190 nan 0.000 0.466 860 P HA 0.015 nan 4.420 nan 0.000 0.232 860 P C 1.191 178.590 177.300 0.166 0.000 1.606 860 P CA 0.274 63.472 63.100 0.165 0.000 1.105 860 P CB -0.056 31.680 31.700 0.059 0.000 1.919 861 L N 0.694 122.007 121.223 0.150 0.000 2.089 861 L HA -0.279 3.964 4.340 -0.161 0.000 0.213 861 L C 2.493 179.465 176.870 0.170 0.000 1.079 861 L CA 1.985 56.898 54.840 0.122 0.000 0.758 861 L CB -1.322 40.779 42.059 0.070 0.000 0.891 861 L HN 0.169 nan 8.230 nan 0.000 0.433 862 A N 0.109 123.076 122.820 0.246 0.000 1.930 862 A HA -0.189 4.034 4.320 -0.161 0.000 0.217 862 A C 2.367 180.162 177.584 0.351 0.000 1.175 862 A CA 1.646 53.851 52.037 0.281 0.000 0.627 862 A CB -0.296 18.839 19.000 0.224 0.000 0.815 862 A HN 0.349 nan 8.150 nan 0.000 0.443 863 K N -0.384 120.152 120.400 0.226 0.000 1.985 863 K HA -0.089 4.134 4.320 -0.161 0.000 0.210 863 K C 1.914 178.574 176.600 0.101 0.000 1.047 863 K CA 1.579 57.930 56.287 0.107 0.000 0.932 863 K CB -0.513 31.982 32.500 -0.009 0.000 0.716 863 K HN 0.273 nan 8.250 nan 0.000 0.439 864 V N 1.562 121.534 119.914 0.096 0.000 2.231 864 V HA -0.320 3.703 4.120 -0.161 0.000 0.248 864 V C 2.363 178.513 176.094 0.093 0.000 1.054 864 V CA 2.233 64.580 62.300 0.078 0.000 1.015 864 V CB -0.934 30.931 31.823 0.070 0.000 0.638 864 V HN 0.435 nan 8.190 nan 0.000 0.444 865 A N -0.287 122.619 122.820 0.144 0.000 2.024 865 A HA -0.080 4.143 4.320 -0.161 0.000 0.220 865 A C 2.363 180.015 177.584 0.114 0.000 1.164 865 A CA 2.088 54.221 52.037 0.161 0.000 0.643 865 A CB -0.674 18.479 19.000 0.254 0.000 0.806 865 A HN 0.625 nan 8.150 nan 0.000 0.451 866 A N -0.146 122.741 122.820 0.113 0.000 1.872 866 A HA -0.098 4.125 4.320 -0.161 0.000 0.214 866 A C 2.215 179.757 177.584 -0.069 0.000 1.187 866 A CA 1.409 53.406 52.037 -0.067 0.000 0.614 866 A CB -0.411 18.560 19.000 -0.049 0.000 0.826 866 A HN 0.523 nan 8.150 nan 0.000 0.442 867 R N -0.622 119.876 120.500 -0.003 0.000 2.083 867 R HA -0.102 4.141 4.340 -0.161 0.000 0.237 867 R C 2.026 178.330 176.300 0.007 0.000 1.137 867 R CA 1.531 57.637 56.100 0.009 0.000 0.951 867 R CB -0.664 29.660 30.300 0.041 0.000 0.851 867 R HN 0.359 nan 8.270 nan 0.000 0.434 868 V N 1.253 121.178 119.914 0.019 0.000 2.287 868 V HA -0.318 3.705 4.120 -0.161 0.000 0.248 868 V C 2.317 178.409 176.094 -0.003 0.000 1.053 868 V CA 1.927 64.240 62.300 0.021 0.000 1.027 868 V CB -0.404 31.440 31.823 0.036 0.000 0.646 868 V HN 0.378 nan 8.190 nan 0.000 0.447 869 M N -0.413 119.166 119.600 -0.035 0.000 2.202 869 M HA -0.183 4.200 4.480 -0.161 0.000 0.262 869 M C 2.142 178.393 176.300 -0.081 0.000 1.063 869 M CA 2.018 57.278 55.300 -0.066 0.000 1.097 869 M CB -0.479 32.046 32.600 -0.125 0.000 1.382 869 M HN 0.434 nan 8.290 nan 0.000 0.413 870 A N -0.909 121.851 122.820 -0.100 0.000 2.123 870 A HA 0.314 4.537 4.320 -0.161 0.000 0.214 870 A C 1.788 179.383 177.584 0.019 0.000 1.152 870 A CA 1.262 53.233 52.037 -0.110 0.000 0.728 870 A CB -0.199 18.632 19.000 -0.281 0.000 0.814 870 A HN 0.601 nan 8.150 nan 0.000 0.464 871 G N -1.074 107.746 108.800 0.032 0.000 2.485 871 G HA2 -0.139 3.725 3.960 -0.161 0.000 0.181 871 G HA3 -0.139 3.725 3.960 -0.161 0.000 0.181 871 G C 0.268 175.202 174.900 0.057 0.000 0.999 871 G CA 0.131 45.263 45.100 0.054 0.000 0.721 871 G HN 0.556 nan 8.290 nan 0.000 0.486 872 K N 2.384 122.820 120.400 0.060 0.000 2.244 872 K HA 0.539 4.762 4.320 -0.161 0.000 0.263 872 K C 1.216 177.843 176.600 0.045 0.000 1.103 872 K CA 0.364 56.684 56.287 0.055 0.000 0.966 872 K CB 0.172 32.711 32.500 0.065 0.000 1.429 872 K HN 0.530 nan 8.250 nan 0.000 0.434 873 S N 3.234 118.960 115.700 0.043 0.000 2.525 873 S HA -0.133 4.240 4.470 -0.161 0.000 0.282 873 S C 1.313 175.938 174.600 0.041 0.000 1.324 873 S CA -0.094 58.132 58.200 0.044 0.000 1.025 873 S CB 0.321 63.547 63.200 0.043 0.000 0.820 873 S HN 0.665 nan 8.310 nan 0.000 0.514 874 L N 1.999 123.248 121.223 0.043 0.000 2.093 874 L HA -0.053 4.191 4.340 -0.161 0.000 0.208 874 L C 3.044 179.934 176.870 0.033 0.000 1.085 874 L CA 1.493 56.356 54.840 0.038 0.000 0.755 874 L CB -1.183 40.900 42.059 0.040 0.000 0.904 874 L HN 0.945 nan 8.230 nan 0.000 0.435 875 A N 0.304 123.145 122.820 0.035 0.000 1.858 875 A HA -0.228 3.995 4.320 -0.161 0.000 0.216 875 A C 2.134 179.733 177.584 0.025 0.000 1.190 875 A CA 1.727 53.782 52.037 0.029 0.000 0.617 875 A CB -0.492 18.526 19.000 0.031 0.000 0.827 875 A HN 0.467 nan 8.150 nan 0.000 0.443 876 E N -0.410 119.806 120.200 0.027 0.000 2.265 876 E HA -0.206 4.047 4.350 -0.161 0.000 0.196 876 E C 2.092 178.706 176.600 0.024 0.000 0.996 876 E CA 1.150 57.565 56.400 0.024 0.000 0.832 876 E CB -0.154 29.562 29.700 0.028 0.000 0.756 876 E HN 0.742 nan 8.360 nan 0.000 0.491 877 Q N -0.667 119.148 119.800 0.026 0.000 2.302 877 Q HA 0.040 4.283 4.340 -0.161 0.000 0.202 877 Q C 1.076 177.087 176.000 0.018 0.000 0.936 877 Q CA 0.598 56.415 55.803 0.024 0.000 0.886 877 Q CB 0.662 29.418 28.738 0.029 0.000 0.986 877 Q HN 0.380 nan 8.270 nan 0.000 0.487 878 G N 0.711 109.521 108.800 0.018 0.000 2.165 878 G HA2 -0.194 3.669 3.960 -0.161 0.000 0.226 878 G HA3 -0.194 3.669 3.960 -0.161 0.000 0.226 878 G C -0.318 174.589 174.900 0.011 0.000 1.035 878 G CA 0.022 45.129 45.100 0.013 0.000 0.744 878 G HN 0.170 nan 8.290 nan 0.000 0.501 879 V N 0.743 120.666 119.914 0.014 0.000 2.380 879 V HA 0.723 4.746 4.120 -0.161 0.000 0.286 879 V C 0.699 176.803 176.094 0.016 0.000 1.015 879 V CA 0.384 62.691 62.300 0.012 0.000 0.834 879 V CB 1.271 33.103 31.823 0.015 0.000 1.009 879 V HN 0.721 nan 8.190 nan 0.000 0.428 880 T N 0.179 114.739 114.554 0.011 0.000 3.123 880 T HA 0.227 4.480 4.350 -0.161 0.000 0.259 880 T C 0.286 174.993 174.700 0.010 0.000 0.871 880 T CA -0.445 61.665 62.100 0.016 0.000 0.857 880 T CB 0.504 69.383 68.868 0.019 0.000 1.267 880 T HN 0.367 nan 8.240 nan 0.000 0.556 881 K N 2.860 123.260 120.400 0.000 0.000 2.235 881 K HA 0.457 4.680 4.320 -0.161 0.000 0.266 881 K C -0.274 176.316 176.600 -0.016 0.000 0.980 881 K CA -0.472 55.810 56.287 -0.007 0.000 0.849 881 K CB 2.301 34.793 32.500 -0.012 0.000 1.098 881 K HN 0.518 nan 8.250 nan 0.000 0.445 882 E N 2.501 122.691 120.200 -0.017 0.000 2.415 882 E HA 0.023 4.276 4.350 -0.161 0.000 0.263 882 E C -0.841 175.732 176.600 -0.045 0.000 0.995 882 E CA -0.252 56.132 56.400 -0.027 0.000 0.915 882 E CB 0.675 30.363 29.700 -0.020 0.000 0.951 882 E HN 0.149 nan 8.360 nan 0.000 0.449 883 V N 6.572 126.450 119.914 -0.060 0.000 2.432 883 V HA 0.190 4.213 4.120 -0.161 0.000 0.275 883 V C 0.069 176.098 176.094 -0.109 0.000 1.043 883 V CA -0.524 61.724 62.300 -0.087 0.000 0.925 883 V CB 1.091 32.852 31.823 -0.103 0.000 0.985 883 V HN 0.580 nan 8.190 nan 0.000 0.466 884 I N 7.328 127.823 120.570 -0.125 0.000 2.382 884 I HA 0.440 4.513 4.170 -0.161 0.000 0.285 884 I C -2.317 173.664 176.117 -0.226 0.000 1.007 884 I CA -2.431 58.775 61.300 -0.156 0.000 1.142 884 I CB 1.373 39.299 38.000 -0.124 0.000 1.289 884 I HN 0.419 nan 8.210 nan 0.000 0.453 885 P HA 0.379 nan 4.420 nan 0.000 0.277 885 P C -2.004 174.957 177.300 -0.565 0.000 1.240 885 P CA -1.279 61.503 63.100 -0.529 0.000 0.798 885 P CB 0.316 31.557 31.700 -0.765 0.000 0.979 886 P HA -0.084 nan 4.420 nan 0.000 0.216 886 P C 0.224 177.321 177.300 -0.340 0.000 1.153 886 P CA 1.527 64.401 63.100 -0.377 0.000 0.848 886 P CB -0.270 31.314 31.700 -0.193 0.000 0.787 887 Y N -2.720 117.530 120.300 -0.084 0.000 2.545 887 Y HA 0.594 5.047 4.550 -0.162 0.000 0.324 887 Y C -0.006 175.844 175.900 -0.083 0.000 1.220 887 Y CA -2.290 55.783 58.100 -0.044 0.000 1.290 887 Y CB -0.426 38.047 38.460 0.021 0.000 1.355 887 Y HN -0.253 nan 8.280 nan 0.000 0.516 888 Y N 0.141 120.633 120.300 0.321 0.000 2.320 888 Y HA 0.513 4.966 4.550 -0.162 0.000 0.334 888 Y C -0.142 175.930 175.900 0.286 0.000 1.055 888 Y CA -0.277 57.979 58.100 0.259 0.000 1.143 888 Y CB 1.839 40.434 38.460 0.224 0.000 1.193 888 Y HN 0.602 nan 8.280 nan 0.000 0.477 889 S N 2.745 118.714 115.700 0.449 0.000 2.498 889 S HA 0.651 5.024 4.470 -0.161 0.000 0.317 889 S C -1.063 173.828 174.600 0.485 0.000 1.090 889 S CA -0.672 57.753 58.200 0.375 0.000 1.089 889 S CB 0.920 64.253 63.200 0.222 0.000 0.997 889 S HN 0.345 nan 8.310 nan 0.000 0.470 890 V N 4.627 124.742 119.914 0.335 0.000 2.531 890 V HA 0.487 4.510 4.120 -0.161 0.000 0.301 890 V C -0.089 175.979 176.094 -0.042 0.000 1.034 890 V CA -0.851 61.545 62.300 0.160 0.000 0.865 890 V CB 1.871 33.657 31.823 -0.063 0.000 0.995 890 V HN 0.746 nan 8.190 nan 0.000 0.424 891 K N 3.619 123.818 120.400 -0.334 0.000 2.159 891 K HA 0.689 4.912 4.320 -0.161 0.000 0.266 891 K C -0.889 175.503 176.600 -0.346 0.000 0.975 891 K CA -0.380 55.575 56.287 -0.553 0.000 0.865 891 K CB 1.982 33.826 32.500 -1.093 0.000 1.087 891 K HN 0.728 nan 8.250 nan 0.000 0.446 892 E N 2.781 122.801 120.200 -0.300 0.000 2.343 892 E HA 0.320 4.573 4.350 -0.161 0.000 0.270 892 E C -1.338 175.146 176.600 -0.192 0.000 0.895 892 E CA -0.919 55.336 56.400 -0.241 0.000 0.767 892 E CB 1.813 31.329 29.700 -0.306 0.000 1.248 892 E HN 0.436 nan 8.360 nan 0.000 0.440 893 V N 1.015 120.846 119.914 -0.139 0.000 3.096 893 V HA 0.862 4.885 4.120 -0.161 0.000 0.319 893 V C -0.305 175.732 176.094 -0.095 0.000 1.082 893 V CA -0.451 61.780 62.300 -0.115 0.000 1.022 893 V CB 1.527 33.295 31.823 -0.092 0.000 1.103 893 V HN 0.657 nan 8.190 nan 0.000 0.455 894 V N 0.833 120.692 119.914 -0.092 0.000 2.487 894 V HA 0.749 4.772 4.120 -0.161 0.000 0.298 894 V C -0.628 175.397 176.094 -0.115 0.000 1.028 894 V CA -0.589 61.659 62.300 -0.088 0.000 0.860 894 V CB 0.837 32.614 31.823 -0.077 0.000 0.991 894 V HN 0.863 nan 8.190 nan 0.000 0.427 895 L N 6.103 127.238 121.223 -0.146 0.000 2.331 895 L HA 0.652 4.895 4.340 -0.161 0.000 0.275 895 L C -1.671 175.020 176.870 -0.298 0.000 1.022 895 L CA -1.457 53.202 54.840 -0.302 0.000 0.812 895 L CB 2.216 43.965 42.059 -0.516 0.000 1.257 895 L HN 0.446 nan 8.230 nan 0.000 0.435 896 P HA 0.085 nan 4.420 nan 0.000 0.256 896 P C 1.030 178.229 177.300 -0.168 0.000 1.384 896 P CA 0.084 63.029 63.100 -0.259 0.000 0.879 896 P CB 0.008 31.572 31.700 -0.227 0.000 1.403 897 F N 2.385 122.381 119.950 0.076 0.000 2.154 897 F HA -0.203 4.214 4.527 -0.184 0.000 0.301 897 F C 2.177 177.990 175.800 0.021 0.000 1.087 897 F CA 1.384 59.455 58.000 0.119 0.000 1.274 897 F CB -1.789 37.308 39.000 0.162 0.000 1.009 897 F HN 0.137 nan 8.300 nan 0.000 0.485 898 N N 0.512 119.283 118.700 0.119 0.000 2.519 898 N HA -0.173 4.470 4.740 -0.161 0.000 0.186 898 N C 1.232 176.659 175.510 -0.140 0.000 1.062 898 N CA 0.959 54.013 53.050 0.006 0.000 0.910 898 N CB -0.351 38.132 38.487 -0.007 0.000 0.958 898 N HN 0.247 nan 8.380 nan 0.000 0.445 899 K N -0.140 120.059 120.400 -0.336 0.000 2.262 899 K HA 0.097 4.321 4.320 -0.161 0.000 0.200 899 K C -0.216 175.972 176.600 -0.688 0.000 1.049 899 K CA 0.300 56.192 56.287 -0.659 0.000 0.979 899 K CB 0.120 31.931 32.500 -1.148 0.000 0.773 899 K HN 0.211 nan 8.250 nan 0.000 0.474 900 F N 1.734 121.665 119.950 -0.033 0.000 2.389 900 F HA 0.280 4.735 4.527 -0.120 0.000 0.327 900 F C -1.719 174.130 175.800 0.082 0.000 1.204 900 F CA -2.690 55.327 58.000 0.029 0.000 1.209 900 F CB 1.044 40.043 39.000 -0.002 0.000 1.460 900 F HN -0.124 nan 8.300 nan 0.000 0.537 901 P HA -0.178 nan 4.420 nan 0.000 0.217 901 P C 1.736 179.103 177.300 0.112 0.000 1.151 901 P CA 1.444 64.609 63.100 0.107 0.000 0.849 901 P CB 0.194 31.921 31.700 0.046 0.000 0.787 902 G N -0.886 107.998 108.800 0.140 0.000 3.061 902 G HA2 0.134 3.997 3.960 -0.161 0.000 0.208 902 G HA3 0.134 3.997 3.960 -0.161 0.000 0.208 902 G C 0.182 175.154 174.900 0.119 0.000 1.175 902 G CA -0.008 45.156 45.100 0.107 0.000 0.812 902 G HN 0.206 nan 8.290 nan 0.000 0.523 903 V N 0.343 120.355 119.914 0.164 0.000 2.581 903 V HA 0.223 4.246 4.120 -0.161 0.000 0.303 903 V C -0.578 175.531 176.094 0.025 0.000 1.041 903 V CA -1.126 61.272 62.300 0.163 0.000 0.907 903 V CB 2.048 34.082 31.823 0.352 0.000 0.994 903 V HN 0.114 nan 8.190 nan 0.000 0.442 904 D N 6.347 126.725 120.400 -0.038 0.000 2.342 904 D HA 0.167 4.710 4.640 -0.161 0.000 0.260 904 D C -1.903 174.153 176.300 -0.406 0.000 1.278 904 D CA -1.859 52.048 54.000 -0.156 0.000 0.910 904 D CB 1.371 42.114 40.800 -0.094 0.000 1.079 904 D HN 0.249 nan 8.370 nan 0.000 0.496 905 P HA 0.057 nan 4.420 nan 0.000 0.277 905 P C -0.210 176.665 177.300 -0.707 0.000 1.617 905 P CA -0.005 62.309 63.100 -1.309 0.000 0.829 905 P CB -0.692 30.683 31.700 -0.542 0.000 1.774 906 L N -1.481 119.482 121.223 -0.434 0.000 2.322 906 L HA 0.495 4.738 4.340 -0.161 0.000 0.279 906 L C -0.560 176.348 176.870 0.063 0.000 1.036 906 L CA -1.078 53.707 54.840 -0.093 0.000 0.807 906 L CB 1.046 43.063 42.059 -0.070 0.000 1.226 906 L HN -0.221 nan 8.230 nan 0.000 0.433 907 L N 3.885 125.193 121.223 0.141 0.000 2.439 907 L HA 0.898 5.142 4.340 -0.161 0.000 0.259 907 L C 0.752 177.691 176.870 0.115 0.000 1.129 907 L CA 0.053 55.002 54.840 0.182 0.000 0.803 907 L CB 1.134 43.298 42.059 0.177 0.000 1.161 907 L HN 0.961 nan 8.230 nan 0.000 0.462 908 G N -0.488 108.377 108.800 0.109 0.000 2.494 908 G HA2 0.295 4.158 3.960 -0.161 0.000 0.308 908 G HA3 0.295 4.158 3.960 -0.161 0.000 0.308 908 G C -2.687 172.262 174.900 0.082 0.000 1.263 908 G CA -0.324 44.814 45.100 0.064 0.000 0.840 908 G HN 0.298 nan 8.290 nan 0.000 0.479 909 P HA 0.057 nan 4.420 nan 0.000 0.234 909 P C 0.278 177.641 177.300 0.105 0.000 1.167 909 P CA 0.963 64.112 63.100 0.082 0.000 0.763 909 P CB 0.314 32.018 31.700 0.006 0.000 0.835 910 E N -0.368 119.835 120.200 0.005 0.000 2.195 910 E HA 0.398 4.651 4.350 -0.161 0.000 0.271 910 E C -0.666 175.814 176.600 -0.200 0.000 0.923 910 E CA -1.006 55.329 56.400 -0.108 0.000 0.790 910 E CB 1.029 30.645 29.700 -0.139 0.000 1.155 910 E HN -0.173 nan 8.360 nan 0.000 0.402 911 M N 4.470 123.796 119.600 -0.458 0.000 2.146 911 M HA 0.256 4.639 4.480 -0.161 0.000 0.357 911 M C 0.127 176.279 176.300 -0.246 0.000 1.261 911 M CA 0.115 55.148 55.300 -0.446 0.000 1.106 911 M CB 0.440 32.578 32.600 -0.769 0.000 1.612 911 M HN 0.604 nan 8.290 nan 0.000 0.470 912 R N 1.242 121.661 120.500 -0.136 0.000 2.487 912 R HA 0.171 4.414 4.340 -0.161 0.000 0.272 912 R C 0.185 176.490 176.300 0.008 0.000 0.928 912 R CA 0.046 56.111 56.100 -0.058 0.000 1.077 912 R CB 0.739 31.027 30.300 -0.019 0.000 1.265 912 R HN 0.803 nan 8.270 nan 0.000 0.537 913 S N -0.899 114.765 115.700 -0.061 0.000 2.592 913 S HA 0.061 4.434 4.470 -0.161 0.000 0.271 913 S C 1.212 175.790 174.600 -0.037 0.000 1.326 913 S CA 0.078 58.234 58.200 -0.074 0.000 1.024 913 S CB 1.628 64.779 63.200 -0.081 0.000 0.921 913 S HN 0.260 nan 8.310 nan 0.000 0.527 914 T N -0.673 113.852 114.554 -0.048 0.000 3.039 914 T HA 0.475 4.728 4.350 -0.161 0.000 0.250 914 T C 0.868 175.544 174.700 -0.040 0.000 1.052 914 T CA 0.316 62.397 62.100 -0.032 0.000 1.125 914 T CB -0.358 68.486 68.868 -0.039 0.000 0.908 914 T HN 1.059 nan 8.240 nan 0.000 0.473 915 G N 0.501 109.266 108.800 -0.057 0.000 2.827 915 G HA2 0.648 4.511 3.960 -0.161 0.000 0.296 915 G HA3 0.648 4.511 3.960 -0.161 0.000 0.296 915 G C -1.966 172.883 174.900 -0.085 0.000 1.362 915 G CA -0.885 44.178 45.100 -0.062 0.000 0.809 915 G HN 0.577 nan 8.290 nan 0.000 0.522 916 E N -2.108 118.036 120.200 -0.093 0.000 2.430 916 E HA 0.642 4.895 4.350 -0.161 0.000 0.279 916 E C -1.171 175.361 176.600 -0.113 0.000 1.003 916 E CA -1.038 55.288 56.400 -0.124 0.000 0.801 916 E CB 2.194 31.794 29.700 -0.167 0.000 1.313 916 E HN 1.026 nan 8.360 nan 0.000 0.459 917 V N -1.522 118.308 119.914 -0.139 0.000 3.141 917 V HA 0.774 4.797 4.120 -0.161 0.000 0.312 917 V C -0.577 175.436 176.094 -0.134 0.000 1.157 917 V CA -1.067 61.162 62.300 -0.119 0.000 1.041 917 V CB 1.917 33.668 31.823 -0.120 0.000 1.071 917 V HN 0.920 nan 8.190 nan 0.000 0.441 918 M N 1.905 121.461 119.600 -0.074 0.000 2.393 918 M HA 0.819 5.202 4.480 -0.161 0.000 0.299 918 M C -0.515 175.769 176.300 -0.027 0.000 1.103 918 M CA -0.238 55.056 55.300 -0.010 0.000 0.910 918 M CB 2.007 34.700 32.600 0.155 0.000 1.659 918 M HN 1.181 nan 8.290 nan 0.000 0.445 919 G N 3.120 111.902 108.800 -0.029 0.000 2.513 919 G HA2 0.645 4.508 3.960 -0.161 0.000 0.317 919 G HA3 0.645 4.508 3.960 -0.161 0.000 0.317 919 G C -1.725 173.179 174.900 0.008 0.000 1.277 919 G CA -0.465 44.597 45.100 -0.063 0.000 0.955 919 G HN 0.583 nan 8.290 nan 0.000 0.484 920 V N 1.345 121.251 119.914 -0.014 0.000 2.448 920 V HA 0.890 4.913 4.120 -0.161 0.000 0.295 920 V C 0.628 176.728 176.094 0.011 0.000 1.025 920 V CA -0.079 62.219 62.300 -0.004 0.000 0.859 920 V CB 1.235 32.972 31.823 -0.143 0.000 0.988 920 V HN 1.084 nan 8.190 nan 0.000 0.431 921 G N 3.322 112.190 108.800 0.114 0.000 2.695 921 G HA2 0.510 4.373 3.960 -0.161 0.000 0.290 921 G HA3 0.510 4.373 3.960 -0.161 0.000 0.290 921 G C 0.025 175.059 174.900 0.223 0.000 1.410 921 G CA -0.743 44.425 45.100 0.113 0.000 0.844 921 G HN 0.527 nan 8.290 nan 0.000 0.478 922 R N -1.080 119.522 120.500 0.171 0.000 2.115 922 R HA 0.078 4.321 4.340 -0.161 0.000 0.226 922 R C 1.104 177.574 176.300 0.283 0.000 1.100 922 R CA 1.532 57.751 56.100 0.199 0.000 0.980 922 R CB -0.077 30.299 30.300 0.128 0.000 0.875 922 R HN 0.631 nan 8.270 nan 0.000 0.445 923 T N -3.974 110.728 114.554 0.246 0.000 2.916 923 T HA 0.209 4.462 4.350 -0.161 0.000 0.292 923 T C 0.458 175.220 174.700 0.103 0.000 1.055 923 T CA -0.912 61.336 62.100 0.247 0.000 1.009 923 T CB 1.525 70.476 68.868 0.138 0.000 1.118 923 T HN 0.026 nan 8.240 nan 0.000 0.497 924 F N 1.909 121.652 119.950 -0.345 0.000 2.095 924 F HA 0.019 4.448 4.527 -0.163 0.000 0.298 924 F C 2.528 178.233 175.800 -0.158 0.000 1.104 924 F CA 2.106 59.792 58.000 -0.524 0.000 1.232 924 F CB -0.849 37.721 39.000 -0.716 0.000 0.987 924 F HN 0.759 nan 8.300 nan 0.000 0.475 925 A N -0.329 122.480 122.820 -0.019 0.000 1.978 925 A HA -0.254 3.969 4.320 -0.161 0.000 0.220 925 A C 2.231 179.759 177.584 -0.092 0.000 1.170 925 A CA 1.916 53.929 52.037 -0.041 0.000 0.636 925 A CB -0.977 18.062 19.000 0.065 0.000 0.810 925 A HN 0.644 nan 8.150 nan 0.000 0.448 926 E N -0.420 119.742 120.200 -0.062 0.000 2.076 926 E HA -0.010 4.243 4.350 -0.161 0.000 0.190 926 E C 2.178 178.720 176.600 -0.096 0.000 0.979 926 E CA 0.776 57.147 56.400 -0.049 0.000 0.807 926 E CB -0.215 29.490 29.700 0.008 0.000 0.761 926 E HN 0.534 nan 8.360 nan 0.000 0.454 927 A N 0.650 123.399 122.820 -0.118 0.000 1.877 927 A HA -0.175 4.048 4.320 -0.161 0.000 0.216 927 A C 1.988 179.413 177.584 -0.264 0.000 1.186 927 A CA 1.173 53.131 52.037 -0.132 0.000 0.620 927 A CB -0.919 18.053 19.000 -0.045 0.000 0.822 927 A HN 0.462 nan 8.150 nan 0.000 0.443 928 F N 0.913 120.522 119.950 -0.568 0.000 2.095 928 F HA -0.156 4.273 4.527 -0.163 0.000 0.298 928 F C 2.582 178.181 175.800 -0.335 0.000 1.104 928 F CA 1.335 58.990 58.000 -0.574 0.000 1.232 928 F CB -0.364 38.124 39.000 -0.853 0.000 0.987 928 F HN 0.249 nan 8.300 nan 0.000 0.475 929 A N -0.451 122.258 122.820 -0.184 0.000 1.972 929 A HA -0.191 4.032 4.320 -0.161 0.000 0.219 929 A C 2.206 179.641 177.584 -0.249 0.000 1.169 929 A CA 1.774 53.703 52.037 -0.180 0.000 0.635 929 A CB -0.565 18.370 19.000 -0.107 0.000 0.810 929 A HN 0.448 nan 8.150 nan 0.000 0.446 930 K N -0.542 119.716 120.400 -0.237 0.000 2.076 930 K HA 0.110 4.333 4.320 -0.161 0.000 0.204 930 K C 2.309 178.761 176.600 -0.247 0.000 1.051 930 K CA 0.872 57.035 56.287 -0.207 0.000 0.949 930 K CB -0.236 32.176 32.500 -0.147 0.000 0.726 930 K HN 0.401 nan 8.250 nan 0.000 0.443 931 A N 1.274 123.893 122.820 -0.334 0.000 1.933 931 A HA -0.244 3.979 4.320 -0.161 0.000 0.218 931 A C 2.111 179.454 177.584 -0.401 0.000 1.175 931 A CA 1.466 53.286 52.037 -0.362 0.000 0.628 931 A CB -0.475 18.256 19.000 -0.449 0.000 0.814 931 A HN 0.342 nan 8.150 nan 0.000 0.444 932 Q N -0.969 118.511 119.800 -0.533 0.000 2.046 932 Q HA -0.155 4.088 4.340 -0.161 0.000 0.200 932 Q C 2.017 177.857 176.000 -0.265 0.000 0.975 932 Q CA 1.639 57.178 55.803 -0.440 0.000 0.836 932 Q CB -0.221 28.224 28.738 -0.489 0.000 0.896 932 Q HN 0.549 nan 8.270 nan 0.000 0.428 933 L N 0.150 121.227 121.223 -0.243 0.000 2.083 933 L HA -0.005 4.238 4.340 -0.161 0.000 0.209 933 L C 2.078 178.876 176.870 -0.121 0.000 1.083 933 L CA 2.234 56.970 54.840 -0.174 0.000 0.752 933 L CB -0.796 41.145 42.059 -0.196 0.000 0.899 933 L HN 0.284 nan 8.230 nan 0.000 0.433 934 G N -1.549 107.168 108.800 -0.139 0.000 2.443 934 G HA2 -0.253 3.610 3.960 -0.161 0.000 0.219 934 G HA3 -0.253 3.610 3.960 -0.161 0.000 0.219 934 G C 1.545 176.391 174.900 -0.090 0.000 1.131 934 G CA 0.790 45.831 45.100 -0.099 0.000 0.775 934 G HN 0.566 nan 8.290 nan 0.000 0.547 935 S N -0.010 115.619 115.700 -0.119 0.000 2.607 935 S HA 0.030 4.403 4.470 -0.161 0.000 0.224 935 S C 0.894 175.460 174.600 -0.056 0.000 0.969 935 S CA 0.704 58.845 58.200 -0.099 0.000 0.927 935 S CB -0.607 62.518 63.200 -0.125 0.000 0.772 935 S HN 0.559 nan 8.310 nan 0.000 0.533 936 N N 0.427 119.101 118.700 -0.043 0.000 2.815 936 N HA -0.160 4.483 4.740 -0.161 0.000 0.249 936 N C -0.228 175.292 175.510 0.017 0.000 1.114 936 N CA 0.709 53.755 53.050 -0.006 0.000 0.717 936 N CB -2.065 36.420 38.487 -0.004 0.000 1.074 936 N HN 0.534 nan 8.380 nan 0.000 0.555 937 S N -0.301 115.397 115.700 -0.003 0.000 2.585 937 S HA 0.352 4.725 4.470 -0.161 0.000 0.273 937 S C 1.433 176.062 174.600 0.049 0.000 1.339 937 S CA 0.487 58.713 58.200 0.044 0.000 1.028 937 S CB 0.802 63.982 63.200 -0.034 0.000 0.906 937 S HN 0.319 nan 8.310 nan 0.000 0.528 938 T N 1.812 116.442 114.554 0.126 0.000 3.105 938 T HA 0.239 4.492 4.350 -0.161 0.000 0.253 938 T C 0.509 175.281 174.700 0.120 0.000 1.047 938 T CA -0.469 61.708 62.100 0.128 0.000 0.944 938 T CB -0.285 68.687 68.868 0.173 0.000 1.016 938 T HN 0.540 nan 8.240 nan 0.000 0.544 939 M N 3.202 122.829 119.600 0.045 0.000 2.248 939 M HA 0.223 4.606 4.480 -0.161 0.000 0.343 939 M C -0.229 176.050 176.300 -0.036 0.000 1.243 939 M CA -0.226 55.062 55.300 -0.021 0.000 1.025 939 M CB 0.075 32.463 32.600 -0.353 0.000 1.759 939 M HN -0.077 nan 8.290 nan 0.000 0.452 940 K N 4.400 124.798 120.400 -0.003 0.000 2.185 940 K HA 0.373 4.596 4.320 -0.161 0.000 0.240 940 K C 0.020 176.559 176.600 -0.101 0.000 0.983 940 K CA -0.595 55.597 56.287 -0.158 0.000 0.873 940 K CB 1.086 33.383 32.500 -0.338 0.000 1.118 940 K HN 0.624 nan 8.250 nan 0.000 0.441 941 K N 1.035 121.273 120.400 -0.271 0.000 2.372 941 K HA 0.063 4.286 4.320 -0.161 0.000 0.200 941 K C 0.455 176.952 176.600 -0.172 0.000 1.022 941 K CA 0.145 56.391 56.287 -0.069 0.000 1.125 941 K CB 0.292 32.770 32.500 -0.036 0.000 0.855 941 K HN 0.657 nan 8.250 nan 0.000 0.524 942 H N -2.647 116.181 119.070 -0.404 0.000 2.947 942 H HA 0.601 5.061 4.556 -0.161 0.000 0.290 942 H C 0.146 174.882 175.328 -0.987 0.000 1.430 942 H CA -0.533 55.022 56.048 -0.822 0.000 1.189 942 H CB 1.385 30.945 29.762 -0.337 0.000 1.875 942 H HN 0.062 nan 8.280 nan 0.000 0.568 943 G N 0.538 109.085 108.800 -0.422 0.000 2.416 943 G HA2 -0.103 3.760 3.960 -0.161 0.000 0.203 943 G HA3 -0.103 3.760 3.960 -0.161 0.000 0.203 943 G C -1.178 173.744 174.900 0.038 0.000 1.227 943 G CA -0.383 44.680 45.100 -0.062 0.000 1.041 943 G HN 0.808 nan 8.290 nan 0.000 0.546 944 R N 0.192 120.869 120.500 0.294 0.000 2.514 944 R HA 0.717 4.960 4.340 -0.161 0.000 0.301 944 R C 0.064 176.734 176.300 0.617 0.000 0.962 944 R CA 0.115 56.468 56.100 0.422 0.000 0.882 944 R CB 1.456 31.938 30.300 0.304 0.000 1.143 944 R HN 1.344 nan 8.270 nan 0.000 0.452 945 A N 3.639 126.758 122.820 0.498 0.000 2.355 945 A HA 0.563 4.786 4.320 -0.161 0.000 0.324 945 A C -1.602 175.979 177.584 -0.005 0.000 1.117 945 A CA -0.703 51.481 52.037 0.245 0.000 0.785 945 A CB 1.425 20.504 19.000 0.132 0.000 1.254 945 A HN 0.572 nan 8.150 nan 0.000 0.453 946 L N 1.977 122.997 121.223 -0.339 0.000 2.322 946 L HA 0.781 5.024 4.340 -0.161 0.000 0.281 946 L C -1.653 175.009 176.870 -0.346 0.000 1.014 946 L CA -0.334 54.225 54.840 -0.468 0.000 0.815 946 L CB 1.218 42.680 42.059 -0.995 0.000 1.247 946 L HN 0.470 nan 8.230 nan 0.000 0.421 947 L N 4.642 125.735 121.223 -0.216 0.000 2.316 947 L HA 0.567 4.810 4.340 -0.161 0.000 0.280 947 L C 0.052 176.841 176.870 -0.135 0.000 1.006 947 L CA 0.007 54.739 54.840 -0.180 0.000 0.836 947 L CB 1.617 43.604 42.059 -0.120 0.000 1.221 947 L HN 0.682 nan 8.230 nan 0.000 0.418 948 S N 3.187 118.802 115.700 -0.142 0.000 2.259 948 S HA 0.560 4.933 4.470 -0.161 0.000 0.181 948 S C -0.524 174.034 174.600 -0.070 0.000 1.589 948 S CA -0.569 57.574 58.200 -0.096 0.000 1.234 948 S CB 0.430 63.568 63.200 -0.103 0.000 1.119 948 S HN 0.412 nan 8.310 nan 0.000 0.458 949 V N 3.670 123.556 119.914 -0.046 0.000 2.834 949 V HA 0.831 4.854 4.120 -0.161 0.000 0.313 949 V C -0.058 176.033 176.094 -0.004 0.000 1.060 949 V CA -1.137 61.149 62.300 -0.024 0.000 0.989 949 V CB 1.287 33.099 31.823 -0.018 0.000 1.041 949 V HN 0.859 nan 8.190 nan 0.000 0.459 950 R N 1.757 122.261 120.500 0.006 0.000 2.560 950 R HA 0.442 4.685 4.340 -0.161 0.000 0.270 950 R C 0.948 177.263 176.300 0.026 0.000 1.074 950 R CA -0.178 55.931 56.100 0.015 0.000 1.140 950 R CB 0.313 30.626 30.300 0.021 0.000 1.073 950 R HN 0.726 nan 8.270 nan 0.000 0.527 951 E N 1.668 121.884 120.200 0.026 0.000 2.095 951 E HA -0.253 4.000 4.350 -0.161 0.000 0.212 951 E C 1.873 178.497 176.600 0.040 0.000 1.044 951 E CA 2.543 58.962 56.400 0.032 0.000 0.857 951 E CB -0.624 29.093 29.700 0.028 0.000 0.764 951 E HN 0.927 nan 8.360 nan 0.000 0.462 952 G N 1.132 109.962 108.800 0.049 0.000 2.440 952 G HA2 -0.248 3.615 3.960 -0.161 0.000 0.218 952 G HA3 -0.248 3.615 3.960 -0.161 0.000 0.218 952 G C 1.135 176.070 174.900 0.057 0.000 1.154 952 G CA 1.020 46.154 45.100 0.056 0.000 0.767 952 G HN 0.207 nan 8.290 nan 0.000 0.552 953 D N 0.265 120.701 120.400 0.059 0.000 2.363 953 D HA 0.015 4.558 4.640 -0.161 0.000 0.220 953 D C 2.183 178.520 176.300 0.061 0.000 0.994 953 D CA 0.345 54.386 54.000 0.069 0.000 0.890 953 D CB -0.029 40.809 40.800 0.064 0.000 0.906 953 D HN 0.266 nan 8.370 nan 0.000 0.530 954 K N 0.618 121.046 120.400 0.048 0.000 2.228 954 K HA -0.175 4.048 4.320 -0.161 0.000 0.205 954 K C 1.889 178.518 176.600 0.048 0.000 1.045 954 K CA 0.907 57.219 56.287 0.041 0.000 0.931 954 K CB 0.156 32.677 32.500 0.036 0.000 0.727 954 K HN 0.196 nan 8.250 nan 0.000 0.458 955 E N 0.055 120.288 120.200 0.055 0.000 2.051 955 E HA -0.116 4.138 4.350 -0.161 0.000 0.189 955 E C 1.775 178.425 176.600 0.083 0.000 0.979 955 E CA 0.864 57.298 56.400 0.057 0.000 0.803 955 E CB 0.243 29.971 29.700 0.047 0.000 0.761 955 E HN 0.278 nan 8.360 nan 0.000 0.451 956 R N 0.136 120.709 120.500 0.122 0.000 2.200 956 R HA 0.032 4.275 4.340 -0.161 0.000 0.208 956 R C 2.297 178.753 176.300 0.260 0.000 1.033 956 R CA 0.282 56.516 56.100 0.224 0.000 1.000 956 R CB -0.442 30.032 30.300 0.290 0.000 0.906 956 R HN -0.007 nan 8.270 nan 0.000 0.462 957 V N 1.000 120.987 119.914 0.122 0.000 2.453 957 V HA -0.258 3.765 4.120 -0.161 0.000 0.252 957 V C 1.963 178.071 176.094 0.024 0.000 1.068 957 V CA 1.757 64.070 62.300 0.022 0.000 1.070 957 V CB -0.119 31.706 31.823 0.005 0.000 0.664 957 V HN 0.219 nan 8.190 nan 0.000 0.461 958 V N 0.167 120.122 119.914 0.068 0.000 2.343 958 V HA -0.226 3.797 4.120 -0.161 0.000 0.247 958 V C 2.362 178.508 176.094 0.086 0.000 1.051 958 V CA 2.491 64.828 62.300 0.062 0.000 1.036 958 V CB -0.701 31.158 31.823 0.059 0.000 0.654 958 V HN 0.684 nan 8.190 nan 0.000 0.451 959 D N -0.429 120.068 120.400 0.162 0.000 2.183 959 D HA -0.114 4.429 4.640 -0.161 0.000 0.203 959 D C 1.885 178.321 176.300 0.225 0.000 0.969 959 D CA 0.745 54.876 54.000 0.217 0.000 0.842 959 D CB -0.051 40.903 40.800 0.256 0.000 0.957 959 D HN 0.308 nan 8.370 nan 0.000 0.484 960 L N 0.397 121.667 121.223 0.077 0.000 2.093 960 L HA 0.111 4.355 4.340 -0.161 0.000 0.208 960 L C 2.093 178.886 176.870 -0.128 0.000 1.085 960 L CA 1.881 56.543 54.840 -0.296 0.000 0.755 960 L CB -0.965 40.587 42.059 -0.846 0.000 0.904 960 L HN 0.017 nan 8.230 nan 0.000 0.435 961 A N -0.193 122.589 122.820 -0.064 0.000 1.902 961 A HA -0.109 4.114 4.320 -0.161 0.000 0.217 961 A C 2.494 180.087 177.584 0.015 0.000 1.181 961 A CA 1.845 53.867 52.037 -0.025 0.000 0.623 961 A CB -1.225 17.773 19.000 -0.005 0.000 0.818 961 A HN 0.579 nan 8.150 nan 0.000 0.443 962 A N -0.115 122.727 122.820 0.037 0.000 1.892 962 A HA -0.234 3.989 4.320 -0.161 0.000 0.218 962 A C 2.108 179.727 177.584 0.059 0.000 1.188 962 A CA 2.147 54.217 52.037 0.055 0.000 0.631 962 A CB -0.491 18.549 19.000 0.067 0.000 0.822 962 A HN 0.555 nan 8.150 nan 0.000 0.447 963 K N -0.453 119.981 120.400 0.055 0.000 2.057 963 K HA -0.027 4.196 4.320 -0.161 0.000 0.207 963 K C 1.810 178.435 176.600 0.042 0.000 1.049 963 K CA 1.433 57.752 56.287 0.053 0.000 0.931 963 K CB -0.391 32.142 32.500 0.056 0.000 0.714 963 K HN 0.487 nan 8.250 nan 0.000 0.440 964 L N 0.668 121.891 121.223 -0.000 0.000 2.083 964 L HA -0.187 4.056 4.340 -0.161 0.000 0.209 964 L C 2.274 179.247 176.870 0.172 0.000 1.083 964 L CA 1.039 55.881 54.840 0.004 0.000 0.752 964 L CB -0.402 41.582 42.059 -0.126 0.000 0.899 964 L HN 0.167 nan 8.230 nan 0.000 0.433 965 L N -0.330 120.968 121.223 0.125 0.000 2.056 965 L HA -0.207 4.036 4.340 -0.161 0.000 0.207 965 L C 2.716 179.661 176.870 0.125 0.000 1.078 965 L CA 1.229 56.152 54.840 0.138 0.000 0.749 965 L CB -0.347 41.768 42.059 0.093 0.000 0.901 965 L HN 0.232 nan 8.230 nan 0.000 0.433 966 K N -0.289 120.171 120.400 0.101 0.000 2.211 966 K HA -0.269 3.954 4.320 -0.161 0.000 0.204 966 K C 2.022 178.683 176.600 0.101 0.000 1.047 966 K CA 1.352 57.691 56.287 0.086 0.000 0.935 966 K CB 0.108 32.651 32.500 0.072 0.000 0.728 966 K HN 0.100 nan 8.250 nan 0.000 0.452 967 Q N -0.670 119.220 119.800 0.149 0.000 2.451 967 Q HA 0.023 4.266 4.340 -0.161 0.000 0.206 967 Q C 0.586 176.697 176.000 0.185 0.000 0.947 967 Q CA 1.033 56.950 55.803 0.190 0.000 0.937 967 Q CB 0.510 29.409 28.738 0.269 0.000 1.025 967 Q HN 0.476 nan 8.270 nan 0.000 0.511 968 G N -1.227 107.671 108.800 0.165 0.000 2.134 968 G HA2 -0.241 3.622 3.960 -0.161 0.000 0.209 968 G HA3 -0.241 3.622 3.960 -0.161 0.000 0.209 968 G C -0.240 174.681 174.900 0.034 0.000 0.993 968 G CA -0.116 45.026 45.100 0.070 0.000 0.669 968 G HN 0.228 nan 8.290 nan 0.000 0.519 969 F N 1.106 121.100 119.950 0.073 0.000 2.371 969 F HA 0.588 5.019 4.527 -0.161 0.000 0.329 969 F C 1.051 176.901 175.800 0.084 0.000 1.107 969 F CA -0.224 57.833 58.000 0.095 0.000 1.137 969 F CB 0.863 39.926 39.000 0.105 0.000 1.214 969 F HN 0.075 nan 8.300 nan 0.000 0.536 970 E N 2.069 122.424 120.200 0.259 0.000 2.214 970 E HA 0.582 4.835 4.350 -0.161 0.000 0.274 970 E C -1.176 175.558 176.600 0.223 0.000 0.977 970 E CA -0.669 55.840 56.400 0.182 0.000 0.827 970 E CB 1.627 31.397 29.700 0.117 0.000 1.130 970 E HN 0.381 nan 8.360 nan 0.000 0.394 971 L N 1.393 122.710 121.223 0.157 0.000 2.341 971 L HA 0.593 4.836 4.340 -0.161 0.000 0.267 971 L C -0.744 176.195 176.870 0.114 0.000 1.009 971 L CA -1.080 53.843 54.840 0.138 0.000 0.819 971 L CB 1.638 43.750 42.059 0.089 0.000 1.323 971 L HN 0.357 nan 8.230 nan 0.000 0.425 972 D N 0.929 121.392 120.400 0.104 0.000 2.738 972 D HA 0.771 5.314 4.640 -0.161 0.000 0.237 972 D C -1.102 175.207 176.300 0.015 0.000 1.123 972 D CA -0.126 53.928 54.000 0.090 0.000 0.856 972 D CB 2.426 43.340 40.800 0.190 0.000 1.552 972 D HN 0.714 nan 8.370 nan 0.000 0.480 973 A N 0.964 123.788 122.820 0.005 0.000 2.437 973 A HA 0.606 4.829 4.320 -0.161 0.000 0.293 973 A C 0.084 177.658 177.584 -0.016 0.000 1.038 973 A CA -0.846 51.178 52.037 -0.022 0.000 0.708 973 A CB 0.806 19.790 19.000 -0.027 0.000 1.251 973 A HN 0.476 nan 8.150 nan 0.000 0.409 974 T N 0.262 114.806 114.554 -0.016 0.000 2.903 974 T HA 0.221 4.474 4.350 -0.161 0.000 0.314 974 T C 1.180 175.905 174.700 0.043 0.000 1.078 974 T CA 1.104 63.211 62.100 0.012 0.000 1.114 974 T CB 0.148 69.016 68.868 0.001 0.000 0.987 974 T HN 0.834 nan 8.240 nan 0.000 0.548 975 H N 2.464 121.531 119.070 -0.004 0.000 2.357 975 H HA -0.278 4.181 4.556 -0.162 0.000 0.228 975 H C 2.403 177.734 175.328 0.005 0.000 1.075 975 H CA 2.796 58.847 56.048 0.006 0.000 1.455 975 H CB -0.997 28.773 29.762 0.015 0.000 1.835 975 H HN 0.871 nan 8.280 nan 0.000 0.851 976 G N -1.957 107.035 108.800 0.321 0.000 2.503 976 G HA2 -0.333 3.531 3.960 -0.161 0.000 0.221 976 G HA3 -0.333 3.531 3.960 -0.161 0.000 0.221 976 G C 1.651 176.604 174.900 0.089 0.000 1.131 976 G CA 1.641 46.861 45.100 0.200 0.000 0.756 976 G HN 0.574 nan 8.290 nan 0.000 0.572 977 T N 1.287 115.870 114.554 0.049 0.000 2.904 977 T HA 0.180 4.434 4.350 -0.161 0.000 0.267 977 T C 2.746 177.447 174.700 0.002 0.000 1.059 977 T CA 1.196 63.305 62.100 0.016 0.000 1.137 977 T CB -0.191 68.672 68.868 -0.008 0.000 0.879 977 T HN 0.392 nan 8.240 nan 0.000 0.467 978 A N 1.924 124.735 122.820 -0.014 0.000 1.898 978 A HA 0.015 4.238 4.320 -0.161 0.000 0.216 978 A C 2.227 179.789 177.584 -0.036 0.000 1.181 978 A CA 0.808 52.822 52.037 -0.038 0.000 0.620 978 A CB -0.651 18.303 19.000 -0.077 0.000 0.819 978 A HN 0.362 nan 8.150 nan 0.000 0.442 979 I N 0.261 120.810 120.570 -0.035 0.000 2.236 979 I HA -0.235 3.838 4.170 -0.161 0.000 0.249 979 I C 2.409 178.531 176.117 0.008 0.000 1.102 979 I CA 1.517 62.810 61.300 -0.012 0.000 1.365 979 I CB -1.134 36.894 38.000 0.046 0.000 1.051 979 I HN 0.177 nan 8.210 nan 0.000 0.420 980 V N 0.333 120.256 119.914 0.016 0.000 2.407 980 V HA -0.181 3.842 4.120 -0.161 0.000 0.245 980 V C 2.510 178.613 176.094 0.016 0.000 1.041 980 V CA 0.990 63.302 62.300 0.020 0.000 1.040 980 V CB -0.388 31.450 31.823 0.025 0.000 0.671 980 V HN 0.288 nan 8.190 nan 0.000 0.455 981 L N 0.585 121.814 121.223 0.009 0.000 1.994 981 L HA -0.079 4.164 4.340 -0.161 0.000 0.208 981 L C 2.722 179.598 176.870 0.010 0.000 1.071 981 L CA 1.926 56.773 54.840 0.011 0.000 0.745 981 L CB -1.237 40.825 42.059 0.005 0.000 0.892 981 L HN 0.469 nan 8.230 nan 0.000 0.431 982 G N -0.472 108.330 108.800 0.002 0.000 2.491 982 G HA2 -0.297 3.566 3.960 -0.161 0.000 0.218 982 G HA3 -0.297 3.566 3.960 -0.161 0.000 0.218 982 G C 1.330 176.234 174.900 0.007 0.000 1.180 982 G CA 0.685 45.785 45.100 0.001 0.000 0.774 982 G HN 0.408 nan 8.290 nan 0.000 0.562 983 E N 0.337 120.542 120.200 0.009 0.000 2.501 983 E HA 0.058 4.311 4.350 -0.161 0.000 0.203 983 E C 2.232 178.841 176.600 0.015 0.000 1.072 983 E CA 0.393 56.800 56.400 0.013 0.000 0.885 983 E CB -0.044 29.666 29.700 0.016 0.000 0.813 983 E HN 0.469 nan 8.360 nan 0.000 0.556 984 A N -0.850 121.980 122.820 0.017 0.000 2.431 984 A HA 0.416 4.639 4.320 -0.161 0.000 0.239 984 A C 1.453 179.049 177.584 0.020 0.000 1.230 984 A CA 0.528 52.578 52.037 0.020 0.000 0.928 984 A CB 0.577 19.592 19.000 0.025 0.000 1.006 984 A HN 0.260 nan 8.150 nan 0.000 0.520 985 G N -0.881 107.930 108.800 0.017 0.000 2.184 985 G HA2 -0.141 3.722 3.960 -0.161 0.000 0.206 985 G HA3 -0.141 3.722 3.960 -0.161 0.000 0.206 985 G C -0.088 174.823 174.900 0.019 0.000 0.995 985 G CA 0.054 45.164 45.100 0.018 0.000 0.651 985 G HN 0.389 nan 8.290 nan 0.000 0.511 986 I N 1.330 121.912 120.570 0.019 0.000 2.406 986 I HA 0.348 4.422 4.170 -0.161 0.000 0.290 986 I C -0.431 175.695 176.117 0.015 0.000 0.999 986 I CA -0.765 60.547 61.300 0.021 0.000 1.124 986 I CB 1.775 39.790 38.000 0.025 0.000 1.289 986 I HN 0.108 nan 8.210 nan 0.000 0.441 987 N N 7.805 126.515 118.700 0.016 0.000 2.511 987 N HA 0.419 5.062 4.740 -0.161 0.000 0.249 987 N C -2.445 173.075 175.510 0.016 0.000 0.971 987 N CA -1.310 51.746 53.050 0.010 0.000 0.938 987 N CB 1.249 39.740 38.487 0.007 0.000 1.131 987 N HN 0.342 nan 8.380 nan 0.000 0.505 988 P HA 0.191 nan 4.420 nan 0.000 0.282 988 P C -0.696 176.616 177.300 0.019 0.000 1.287 988 P CA -0.570 62.544 63.100 0.023 0.000 0.792 988 P CB 1.002 32.710 31.700 0.013 0.000 1.163 989 R N 0.301 120.821 120.500 0.034 0.000 2.349 989 R HA 0.386 4.630 4.340 -0.161 0.000 0.299 989 R C -0.576 175.737 176.300 0.023 0.000 1.027 989 R CA -0.755 55.363 56.100 0.030 0.000 0.958 989 R CB 0.175 30.503 30.300 0.047 0.000 1.047 989 R HN 0.258 nan 8.270 nan 0.000 0.468 990 L N 4.875 126.101 121.223 0.004 0.000 2.380 990 L HA 0.274 4.518 4.340 -0.161 0.000 0.273 990 L C -0.559 176.324 176.870 0.022 0.000 1.138 990 L CA 0.301 55.137 54.840 -0.006 0.000 0.832 990 L CB 1.549 43.587 42.059 -0.034 0.000 1.124 990 L HN 0.497 nan 8.230 nan 0.000 0.454 991 V N 4.782 124.713 119.914 0.029 0.000 2.823 991 V HA 0.568 4.591 4.120 -0.161 0.000 0.312 991 V C -0.561 175.556 176.094 0.038 0.000 1.072 991 V CA -0.717 61.613 62.300 0.050 0.000 0.937 991 V CB 2.264 34.141 31.823 0.090 0.000 1.013 991 V HN 0.898 nan 8.190 nan 0.000 0.430 992 N N 4.175 122.901 118.700 0.043 0.000 2.438 992 N HA 0.417 5.060 4.740 -0.161 0.000 0.282 992 N C -0.411 175.099 175.510 -0.000 0.000 1.037 992 N CA -0.772 52.292 53.050 0.025 0.000 0.942 992 N CB 1.409 39.916 38.487 0.033 0.000 1.136 992 N HN 0.689 nan 8.380 nan 0.000 0.481 993 K N 0.513 120.850 120.400 -0.105 0.000 2.244 993 K HA 0.043 4.266 4.320 -0.161 0.000 0.242 993 K C 0.846 177.327 176.600 -0.198 0.000 1.082 993 K CA -0.452 55.691 56.287 -0.241 0.000 0.841 993 K CB 0.300 32.507 32.500 -0.488 0.000 1.129 993 K HN 0.179 nan 8.250 nan 0.000 0.516 994 V N 0.885 120.648 119.914 -0.252 0.000 2.453 994 V HA -0.178 3.845 4.120 -0.161 0.000 0.247 994 V C 1.814 177.961 176.094 0.087 0.000 1.048 994 V CA 1.874 64.197 62.300 0.037 0.000 1.049 994 V CB -0.905 30.910 31.823 -0.013 0.000 0.672 994 V HN 0.727 nan 8.190 nan 0.000 0.457 995 H N -1.139 117.987 119.070 0.093 0.000 2.536 995 H HA 0.216 4.675 4.556 -0.162 0.000 0.276 995 H C 1.499 176.856 175.328 0.048 0.000 1.019 995 H CA 0.552 56.635 56.048 0.059 0.000 1.159 995 H CB -0.250 29.529 29.762 0.028 0.000 1.373 995 H HN 0.492 nan 8.280 nan 0.000 0.584 996 E N -0.092 120.067 120.200 -0.067 0.000 2.207 996 E HA 0.322 4.575 4.350 -0.161 0.000 0.197 996 E C 1.046 177.660 176.600 0.025 0.000 0.914 996 E CA 0.416 56.831 56.400 0.025 0.000 0.914 996 E CB 0.599 30.297 29.700 -0.003 0.000 0.893 996 E HN 0.466 nan 8.360 nan 0.000 0.479 997 G N -0.113 108.689 108.800 0.003 0.000 2.815 997 G HA2 0.679 4.542 3.960 -0.161 0.000 0.305 997 G HA3 0.679 4.542 3.960 -0.161 0.000 0.305 997 G C -1.467 173.386 174.900 -0.079 0.000 1.277 997 G CA -0.776 44.313 45.100 -0.018 0.000 0.795 997 G HN -0.071 nan 8.290 nan 0.000 0.528 998 R N 0.448 120.896 120.500 -0.088 0.000 2.508 998 R HA 0.511 4.754 4.340 -0.161 0.000 0.283 998 R C -2.529 173.725 176.300 -0.078 0.000 1.120 998 R CA -0.840 55.169 56.100 -0.152 0.000 0.958 998 R CB 2.073 32.237 30.300 -0.226 0.000 1.215 998 R HN 0.528 nan 8.270 nan 0.000 0.427 999 P HA 0.221 nan 4.420 nan 0.000 0.276 999 P C -1.148 176.166 177.300 0.024 0.000 1.252 999 P CA -0.425 62.638 63.100 -0.062 0.000 0.802 999 P CB 0.529 32.221 31.700 -0.014 0.000 1.035 1000 H N -1.891 117.168 119.070 -0.020 0.000 2.797 1000 H HA 0.369 4.829 4.556 -0.160 0.000 0.372 1000 H C 1.188 176.516 175.328 0.000 0.000 1.168 1000 H CA -1.121 54.915 56.048 -0.021 0.000 1.163 1000 H CB 1.098 30.835 29.762 -0.041 0.000 1.778 1000 H HN 0.222 nan 8.280 nan 0.000 0.551 1001 I N -1.502 119.127 120.570 0.098 0.000 2.242 1001 I HA -0.452 3.621 4.170 -0.161 0.000 0.242 1001 I C 2.435 178.564 176.117 0.019 0.000 0.998 1001 I CA 1.961 63.301 61.300 0.067 0.000 1.283 1001 I CB -0.874 37.094 38.000 -0.053 0.000 0.985 1001 I HN 0.659 nan 8.210 nan 0.000 0.415 1002 Q N 0.659 120.321 119.800 -0.230 0.000 2.112 1002 Q HA -0.280 3.963 4.340 -0.161 0.000 0.206 1002 Q C 2.002 177.973 176.000 -0.049 0.000 0.987 1002 Q CA 2.463 58.118 55.803 -0.247 0.000 0.858 1002 Q CB -0.361 27.986 28.738 -0.651 0.000 0.905 1002 Q HN 0.674 nan 8.270 nan 0.000 0.420 1003 D N -0.339 120.150 120.400 0.148 0.000 2.117 1003 D HA -0.115 4.428 4.640 -0.161 0.000 0.198 1003 D C 2.058 178.348 176.300 -0.016 0.000 0.982 1003 D CA 0.835 54.924 54.000 0.148 0.000 0.828 1003 D CB 0.017 40.958 40.800 0.236 0.000 0.967 1003 D HN 0.265 nan 8.370 nan 0.000 0.464 1004 R N 0.279 120.776 120.500 -0.005 0.000 2.075 1004 R HA 0.005 4.248 4.340 -0.161 0.000 0.232 1004 R C 2.575 178.744 176.300 -0.218 0.000 1.126 1004 R CA 0.547 56.566 56.100 -0.135 0.000 0.963 1004 R CB -0.202 30.039 30.300 -0.099 0.000 0.858 1004 R HN 0.266 nan 8.270 nan 0.000 0.435 1005 I N 1.197 121.745 120.570 -0.037 0.000 2.202 1005 I HA -0.279 3.794 4.170 -0.161 0.000 0.242 1005 I C 2.647 178.579 176.117 -0.308 0.000 1.091 1005 I CA 1.296 62.609 61.300 0.022 0.000 1.368 1005 I CB -0.316 37.749 38.000 0.109 0.000 1.058 1005 I HN 0.145 nan 8.210 nan 0.000 0.410 1006 K N 1.611 121.732 120.400 -0.466 0.000 2.147 1006 K HA -0.176 4.047 4.320 -0.161 0.000 0.205 1006 K C 1.320 177.568 176.600 -0.587 0.000 1.049 1006 K CA 1.773 57.501 56.287 -0.932 0.000 0.936 1006 K CB -0.196 32.024 32.500 -0.466 0.000 0.722 1006 K HN 0.349 nan 8.250 nan 0.000 0.446 1007 N N 0.009 118.516 118.700 -0.321 0.000 2.515 1007 N HA 0.045 4.688 4.740 -0.161 0.000 0.191 1007 N C -0.202 175.194 175.510 -0.191 0.000 1.182 1007 N CA 0.379 53.300 53.050 -0.215 0.000 0.879 1007 N CB 0.400 38.792 38.487 -0.157 0.000 0.984 1007 N HN 0.408 nan 8.380 nan 0.000 0.453 1008 G N 1.310 109.978 108.800 -0.221 0.000 2.359 1008 G HA2 -0.284 3.579 3.960 -0.161 0.000 0.298 1008 G HA3 -0.284 3.579 3.960 -0.161 0.000 0.298 1008 G C 0.375 175.195 174.900 -0.132 0.000 1.030 1008 G CA 0.174 45.207 45.100 -0.113 0.000 1.149 1008 G HN 0.495 nan 8.290 nan 0.000 0.512 1009 E N -1.503 118.547 120.200 -0.250 0.000 2.413 1009 E HA 0.157 4.410 4.350 -0.161 0.000 0.203 1009 E C 0.089 176.437 176.600 -0.419 0.000 0.957 1009 E CA 0.273 56.440 56.400 -0.389 0.000 0.950 1009 E CB 0.610 29.940 29.700 -0.618 0.000 0.957 1009 E HN 0.614 nan 8.360 nan 0.000 0.497 1010 Y N -0.082 120.252 120.300 0.057 0.000 2.549 1010 Y HA 0.188 4.641 4.550 -0.161 0.000 0.339 1010 Y C 1.357 177.355 175.900 0.164 0.000 1.053 1010 Y CA -0.648 57.520 58.100 0.112 0.000 1.105 1010 Y CB 1.673 40.183 38.460 0.084 0.000 1.258 1010 Y HN -0.141 nan 8.280 nan 0.000 0.478 1011 T N -2.987 111.843 114.554 0.460 0.000 2.958 1011 T HA 0.229 4.482 4.350 -0.161 0.000 0.256 1011 T C -0.738 174.254 174.700 0.487 0.000 0.983 1011 T CA 0.082 62.420 62.100 0.397 0.000 0.924 1011 T CB -0.008 69.055 68.868 0.325 0.000 1.136 1011 T HN 0.431 nan 8.240 nan 0.000 0.506 1012 Y N 0.334 120.819 120.300 0.309 0.000 2.544 1012 Y HA 0.723 5.175 4.550 -0.162 0.000 0.342 1012 Y C -2.220 173.705 175.900 0.042 0.000 1.062 1012 Y CA -2.783 55.421 58.100 0.173 0.000 1.023 1012 Y CB 1.610 40.090 38.460 0.034 0.000 1.308 1012 Y HN 0.163 nan 8.280 nan 0.000 0.457 1013 I N 6.334 126.490 120.570 -0.690 0.000 2.692 1013 I HA 0.416 4.489 4.170 -0.161 0.000 0.293 1013 I C -1.623 173.980 176.117 -0.856 0.000 1.200 1013 I CA -0.905 59.983 61.300 -0.686 0.000 1.036 1013 I CB 2.398 40.191 38.000 -0.345 0.000 1.258 1013 I HN 0.545 nan 8.210 nan 0.000 0.421 1014 I N 6.708 126.874 120.570 -0.675 0.000 2.410 1014 I HA 0.454 4.527 4.170 -0.161 0.000 0.286 1014 I C -1.165 174.811 176.117 -0.234 0.000 1.009 1014 I CA 0.136 61.182 61.300 -0.423 0.000 1.111 1014 I CB 1.248 39.027 38.000 -0.370 0.000 1.262 1014 I HN 0.613 nan 8.210 nan 0.000 0.443 1015 N N 5.571 124.192 118.700 -0.131 0.000 2.558 1015 N HA 0.330 4.973 4.740 -0.161 0.000 0.285 1015 N C -1.343 174.142 175.510 -0.041 0.000 1.112 1015 N CA -0.304 52.687 53.050 -0.099 0.000 0.857 1015 N CB 1.291 39.701 38.487 -0.129 0.000 1.376 1015 N HN 0.709 nan 8.380 nan 0.000 0.526 1016 T N 0.536 115.072 114.554 -0.030 0.000 2.859 1016 T HA 0.616 4.869 4.350 -0.161 0.000 0.281 1016 T C -0.001 174.696 174.700 -0.005 0.000 1.005 1016 T CA -0.215 61.885 62.100 0.001 0.000 1.025 1016 T CB 1.886 70.769 68.868 0.025 0.000 0.977 1016 T HN 0.267 nan 8.240 nan 0.000 0.458 1017 T N 1.207 115.764 114.554 0.005 0.000 2.864 1017 T HA 0.763 5.016 4.350 -0.161 0.000 0.289 1017 T C -0.794 173.911 174.700 0.008 0.000 1.082 1017 T CA -0.933 61.163 62.100 -0.006 0.000 1.009 1017 T CB 1.816 70.671 68.868 -0.022 0.000 1.234 1017 T HN 0.759 nan 8.240 nan 0.000 0.526 1018 S N 0.089 115.779 115.700 -0.016 0.000 2.333 1018 S HA 0.560 4.933 4.470 -0.161 0.000 0.250 1018 S C -0.658 173.868 174.600 -0.124 0.000 0.959 1018 S CA 0.216 58.410 58.200 -0.010 0.000 1.037 1018 S CB -0.145 63.075 63.200 0.033 0.000 1.215 1018 S HN 1.595 nan 8.310 nan 0.000 0.410 1019 G N 4.222 112.858 108.800 -0.272 0.000 3.187 1019 G HA2 0.005 3.868 3.960 -0.161 0.000 0.682 1019 G HA3 0.005 3.868 3.960 -0.161 0.000 0.682 1019 G C 0.122 174.784 174.900 -0.396 0.000 1.266 1019 G CA -0.715 44.028 45.100 -0.594 0.000 0.902 1019 G HN 0.514 nan 8.290 nan 0.000 0.589 1020 R N 0.704 120.927 120.500 -0.463 0.000 2.208 1020 R HA -0.170 4.073 4.340 -0.161 0.000 0.262 1020 R C 2.550 178.776 176.300 -0.123 0.000 1.166 1020 R CA 2.230 58.218 56.100 -0.186 0.000 0.987 1020 R CB -0.331 29.916 30.300 -0.088 0.000 0.887 1020 R HN 0.711 nan 8.270 nan 0.000 0.459 1021 R N -1.028 119.386 120.500 -0.143 0.000 2.090 1021 R HA 0.122 4.366 4.340 -0.161 0.000 0.219 1021 R C 2.073 178.323 176.300 -0.083 0.000 1.100 1021 R CA 0.860 56.903 56.100 -0.095 0.000 0.991 1021 R CB -0.125 30.123 30.300 -0.087 0.000 0.893 1021 R HN 0.215 nan 8.270 nan 0.000 0.443 1022 A N 0.815 123.574 122.820 -0.101 0.000 2.024 1022 A HA -0.156 4.067 4.320 -0.161 0.000 0.220 1022 A C 1.961 179.507 177.584 -0.063 0.000 1.164 1022 A CA 1.251 53.243 52.037 -0.075 0.000 0.643 1022 A CB -0.416 18.535 19.000 -0.082 0.000 0.806 1022 A HN 0.268 nan 8.150 nan 0.000 0.451 1023 I N -1.162 119.365 120.570 -0.073 0.000 2.333 1023 I HA -0.150 3.923 4.170 -0.161 0.000 0.246 1023 I C 2.202 178.288 176.117 -0.051 0.000 1.106 1023 I CA 1.185 62.451 61.300 -0.058 0.000 1.411 1023 I CB -0.171 37.797 38.000 -0.052 0.000 1.082 1023 I HN 0.309 nan 8.210 nan 0.000 0.420 1024 E N 0.344 120.516 120.200 -0.047 0.000 2.482 1024 E HA -0.146 4.108 4.350 -0.161 0.000 0.196 1024 E C 0.835 177.417 176.600 -0.031 0.000 1.047 1024 E CA 0.476 56.855 56.400 -0.036 0.000 0.869 1024 E CB 0.142 29.825 29.700 -0.029 0.000 0.836 1024 E HN 0.400 nan 8.360 nan 0.000 0.520 1025 D N -1.130 119.251 120.400 -0.032 0.000 2.346 1025 D HA -0.031 4.512 4.640 -0.161 0.000 0.206 1025 D C 1.280 177.573 176.300 -0.011 0.000 1.001 1025 D CA 0.557 54.549 54.000 -0.012 0.000 0.871 1025 D CB 0.450 41.242 40.800 -0.013 0.000 0.943 1025 D HN 0.055 nan 8.370 nan 0.000 0.518 1026 S N -1.147 114.530 115.700 -0.038 0.000 2.603 1026 S HA 0.171 4.545 4.470 -0.161 0.000 0.232 1026 S C 1.617 176.165 174.600 -0.088 0.000 1.016 1026 S CA -0.564 57.600 58.200 -0.060 0.000 0.976 1026 S CB 0.441 63.603 63.200 -0.063 0.000 0.921 1026 S HN -0.012 nan 8.310 nan 0.000 0.516 1027 R N 1.324 121.778 120.500 -0.077 0.000 2.139 1027 R HA -0.082 4.161 4.340 -0.161 0.000 0.243 1027 R C 2.180 178.414 176.300 -0.110 0.000 1.145 1027 R CA 1.596 57.640 56.100 -0.093 0.000 0.976 1027 R CB -0.602 29.659 30.300 -0.066 0.000 0.866 1027 R HN 0.420 nan 8.270 nan 0.000 0.449 1028 V N 0.769 120.628 119.914 -0.092 0.000 2.343 1028 V HA -0.233 3.790 4.120 -0.161 0.000 0.247 1028 V C 1.917 177.935 176.094 -0.127 0.000 1.051 1028 V CA 1.893 64.135 62.300 -0.096 0.000 1.036 1028 V CB -0.212 31.561 31.823 -0.083 0.000 0.654 1028 V HN 0.225 nan 8.190 nan 0.000 0.451 1029 I N 0.570 121.049 120.570 -0.151 0.000 2.163 1029 I HA -0.206 3.867 4.170 -0.161 0.000 0.243 1029 I C 2.766 178.725 176.117 -0.264 0.000 1.085 1029 I CA 2.054 63.246 61.300 -0.181 0.000 1.347 1029 I CB -0.831 37.054 38.000 -0.191 0.000 1.044 1029 I HN 0.255 nan 8.210 nan 0.000 0.408 1030 R N 0.370 120.670 120.500 -0.333 0.000 2.083 1030 R HA -0.118 4.125 4.340 -0.161 0.000 0.237 1030 R C 2.452 178.508 176.300 -0.407 0.000 1.137 1030 R CA 1.364 57.141 56.100 -0.538 0.000 0.951 1030 R CB -0.521 29.521 30.300 -0.429 0.000 0.851 1030 R HN 0.393 nan 8.270 nan 0.000 0.434 1031 R N 0.424 120.784 120.500 -0.232 0.000 2.081 1031 R HA -0.067 4.176 4.340 -0.161 0.000 0.235 1031 R C 2.440 178.677 176.300 -0.105 0.000 1.131 1031 R CA 1.765 57.778 56.100 -0.145 0.000 0.960 1031 R CB -0.280 29.963 30.300 -0.094 0.000 0.856 1031 R HN 0.211 nan 8.270 nan 0.000 0.436 1032 S N 1.270 116.927 115.700 -0.072 0.000 2.355 1032 S HA -0.078 4.295 4.470 -0.161 0.000 0.222 1032 S C 2.250 176.924 174.600 0.124 0.000 1.031 1032 S CA 1.009 59.250 58.200 0.068 0.000 0.993 1032 S CB -0.285 62.981 63.200 0.109 0.000 0.859 1032 S HN 0.439 nan 8.310 nan 0.000 0.453 1033 A N 1.827 124.632 122.820 -0.024 0.000 1.908 1033 A HA -0.084 4.139 4.320 -0.161 0.000 0.218 1033 A C 2.181 179.819 177.584 0.090 0.000 1.181 1033 A CA 1.602 53.645 52.037 0.009 0.000 0.627 1033 A CB -0.842 18.018 19.000 -0.233 0.000 0.818 1033 A HN 0.393 nan 8.150 nan 0.000 0.445 1034 L N -0.210 121.002 121.223 -0.017 0.000 2.017 1034 L HA -0.195 4.049 4.340 -0.161 0.000 0.208 1034 L C 2.577 179.476 176.870 0.048 0.000 1.073 1034 L CA 2.707 57.625 54.840 0.130 0.000 0.745 1034 L CB -0.757 41.362 42.059 0.101 0.000 0.894 1034 L HN 0.619 nan 8.230 nan 0.000 0.432 1035 Q N -1.837 117.928 119.800 -0.060 0.000 2.226 1035 Q HA -0.233 4.010 4.340 -0.161 0.000 0.204 1035 Q C 0.959 176.722 176.000 -0.395 0.000 0.975 1035 Q CA 1.729 57.385 55.803 -0.244 0.000 0.866 1035 Q CB -0.125 28.394 28.738 -0.365 0.000 0.915 1035 Q HN 0.657 nan 8.270 nan 0.000 0.440 1036 Y N 0.361 120.692 120.300 0.051 0.000 2.555 1036 Y HA 0.211 4.665 4.550 -0.160 0.000 0.259 1036 Y C -0.204 175.749 175.900 0.089 0.000 1.179 1036 Y CA -0.260 57.878 58.100 0.063 0.000 1.230 1036 Y CB 0.848 39.345 38.460 0.061 0.000 1.146 1036 Y HN -0.034 nan 8.280 nan 0.000 0.526 1037 K N -1.176 119.336 120.400 0.186 0.000 3.129 1037 K HA -0.150 4.073 4.320 -0.161 0.000 0.273 1037 K C -0.642 176.091 176.600 0.222 0.000 1.123 1037 K CA 0.330 56.724 56.287 0.178 0.000 0.800 1037 K CB -2.518 30.063 32.500 0.135 0.000 1.238 1037 K HN 0.127 nan 8.250 nan 0.000 0.492 1038 V N 1.578 121.649 119.914 0.261 0.000 2.432 1038 V HA 0.106 4.129 4.120 -0.161 0.000 0.275 1038 V C 0.754 177.035 176.094 0.310 0.000 1.043 1038 V CA -0.689 61.782 62.300 0.284 0.000 0.925 1038 V CB 1.094 33.081 31.823 0.274 0.000 0.985 1038 V HN 0.354 nan 8.190 nan 0.000 0.466 1039 H N 5.479 124.704 119.070 0.258 0.000 3.004 1039 H HA 0.320 4.779 4.556 -0.160 0.000 0.316 1039 H C -0.683 174.839 175.328 0.324 0.000 1.014 1039 H CA 0.253 56.442 56.048 0.234 0.000 1.454 1039 H CB 0.161 30.035 29.762 0.186 0.000 1.472 1039 H HN 0.658 nan 8.280 nan 0.000 0.571 1040 Y N 2.018 121.950 120.300 -0.613 0.000 2.492 1040 Y HA 0.465 4.915 4.550 -0.166 0.000 0.346 1040 Y C -1.497 174.239 175.900 -0.273 0.000 0.997 1040 Y CA -1.359 56.545 58.100 -0.326 0.000 1.025 1040 Y CB 1.378 39.711 38.460 -0.211 0.000 1.263 1040 Y HN 0.446 nan 8.280 nan 0.000 0.454 1041 D N 1.613 122.022 120.400 0.016 0.000 2.252 1041 D HA 0.316 4.859 4.640 -0.161 0.000 0.245 1041 D C 0.207 176.570 176.300 0.105 0.000 1.009 1041 D CA -0.338 53.703 54.000 0.068 0.000 0.870 1041 D CB 2.244 43.162 40.800 0.197 0.000 1.251 1041 D HN 0.821 nan 8.370 nan 0.000 0.460 1042 T N -3.337 111.284 114.554 0.113 0.000 3.084 1042 T HA 0.162 4.415 4.350 -0.161 0.000 0.270 1042 T C 0.560 175.315 174.700 0.092 0.000 1.008 1042 T CA -0.222 61.942 62.100 0.107 0.000 0.900 1042 T CB -0.005 68.944 68.868 0.134 0.000 1.084 1042 T HN 0.419 nan 8.240 nan 0.000 0.538 1043 T N -0.712 113.903 114.554 0.102 0.000 2.893 1043 T HA 0.634 4.888 4.350 -0.161 0.000 0.293 1043 T C 0.633 175.398 174.700 0.109 0.000 1.027 1043 T CA -0.862 61.305 62.100 0.111 0.000 0.988 1043 T CB 1.929 70.877 68.868 0.134 0.000 1.043 1043 T HN -0.068 nan 8.240 nan 0.000 0.461 1044 L N 2.385 123.677 121.223 0.115 0.000 2.056 1044 L HA 0.063 4.306 4.340 -0.161 0.000 0.207 1044 L C 2.311 179.324 176.870 0.238 0.000 1.078 1044 L CA 1.604 56.519 54.840 0.126 0.000 0.749 1044 L CB -0.674 41.481 42.059 0.161 0.000 0.901 1044 L HN 0.699 nan 8.230 nan 0.000 0.433 1045 N N -0.227 118.622 118.700 0.248 0.000 2.149 1045 N HA -0.139 4.505 4.740 -0.161 0.000 0.188 1045 N C 1.776 177.406 175.510 0.200 0.000 1.019 1045 N CA 1.359 54.566 53.050 0.262 0.000 0.857 1045 N CB -0.694 37.909 38.487 0.194 0.000 0.997 1045 N HN 0.478 nan 8.380 nan 0.000 0.426 1046 G N -0.059 108.839 108.800 0.164 0.000 2.422 1046 G HA2 -0.157 3.706 3.960 -0.161 0.000 0.218 1046 G HA3 -0.157 3.706 3.960 -0.161 0.000 0.218 1046 G C 1.583 176.557 174.900 0.123 0.000 1.146 1046 G CA 1.041 46.230 45.100 0.149 0.000 0.769 1046 G HN 0.434 nan 8.290 nan 0.000 0.547 1047 G N 0.169 109.034 108.800 0.108 0.000 2.403 1047 G HA2 -0.060 3.803 3.960 -0.161 0.000 0.216 1047 G HA3 -0.060 3.803 3.960 -0.161 0.000 0.216 1047 G C 1.556 176.414 174.900 -0.070 0.000 1.154 1047 G CA 0.479 45.615 45.100 0.061 0.000 0.784 1047 G HN 0.314 nan 8.290 nan 0.000 0.538 1048 F N 1.817 121.767 119.950 0.001 0.000 2.134 1048 F HA 0.043 4.472 4.527 -0.163 0.000 0.299 1048 F C 3.012 178.745 175.800 -0.112 0.000 1.097 1048 F CA 1.027 59.004 58.000 -0.038 0.000 1.264 1048 F CB -0.392 38.598 39.000 -0.018 0.000 1.001 1048 F HN 0.235 nan 8.300 nan 0.000 0.479 1049 A N -0.818 121.967 122.820 -0.059 0.000 1.930 1049 A HA -0.163 4.061 4.320 -0.161 0.000 0.217 1049 A C 2.233 179.555 177.584 -0.437 0.000 1.175 1049 A CA 2.171 53.929 52.037 -0.466 0.000 0.627 1049 A CB -1.296 16.975 19.000 -1.216 0.000 0.815 1049 A HN 0.339 nan 8.150 nan 0.000 0.443 1050 T N 0.188 114.624 114.554 -0.196 0.000 2.788 1050 T HA -0.032 4.222 4.350 -0.161 0.000 0.268 1050 T C 2.157 176.762 174.700 -0.159 0.000 1.044 1050 T CA 1.556 63.614 62.100 -0.071 0.000 1.139 1050 T CB -0.344 68.464 68.868 -0.100 0.000 0.867 1050 T HN 0.590 nan 8.240 nan 0.000 0.454 1051 A N 0.946 123.672 122.820 -0.158 0.000 1.897 1051 A HA 0.087 4.310 4.320 -0.161 0.000 0.215 1051 A C 2.321 179.881 177.584 -0.040 0.000 1.181 1051 A CA 1.118 53.073 52.037 -0.137 0.000 0.620 1051 A CB -0.596 18.342 19.000 -0.103 0.000 0.821 1051 A HN 0.412 nan 8.150 nan 0.000 0.443 1052 M N -0.447 119.155 119.600 0.003 0.000 2.149 1052 M HA -0.177 4.206 4.480 -0.161 0.000 0.261 1052 M C 2.259 178.577 176.300 0.031 0.000 1.064 1052 M CA 1.443 56.770 55.300 0.045 0.000 1.102 1052 M CB -0.270 32.388 32.600 0.095 0.000 1.369 1052 M HN 0.478 nan 8.290 nan 0.000 0.408 1053 A N -0.305 122.525 122.820 0.016 0.000 2.209 1053 A HA -0.011 4.212 4.320 -0.161 0.000 0.212 1053 A C 1.877 179.456 177.584 -0.009 0.000 1.158 1053 A CA 0.691 52.744 52.037 0.027 0.000 0.742 1053 A CB -0.753 18.322 19.000 0.126 0.000 0.790 1053 A HN 0.476 nan 8.150 nan 0.000 0.472 1054 L N -0.884 120.328 121.223 -0.017 0.000 2.201 1054 L HA -0.128 4.115 4.340 -0.161 0.000 0.212 1054 L C 1.212 178.087 176.870 0.008 0.000 1.105 1054 L CA 0.968 55.802 54.840 -0.010 0.000 0.775 1054 L CB -0.377 41.688 42.059 0.010 0.000 0.913 1054 L HN 0.401 nan 8.230 nan 0.000 0.440 1055 N N -0.022 118.686 118.700 0.014 0.000 2.413 1055 N HA 0.214 4.857 4.740 -0.161 0.000 0.207 1055 N C -0.098 175.418 175.510 0.009 0.000 1.206 1055 N CA -0.048 53.014 53.050 0.020 0.000 0.832 1055 N CB 0.324 38.830 38.487 0.032 0.000 1.037 1055 N HN 0.230 nan 8.380 nan 0.000 0.467 1056 A N -0.059 122.756 122.820 -0.008 0.000 2.479 1056 A HA 0.524 4.747 4.320 -0.161 0.000 0.296 1056 A C -1.456 176.102 177.584 -0.043 0.000 1.121 1056 A CA -0.655 51.369 52.037 -0.021 0.000 0.743 1056 A CB 1.436 20.422 19.000 -0.024 0.000 1.323 1056 A HN 0.064 nan 8.150 nan 0.000 0.415 1057 D N 0.889 121.259 120.400 -0.050 0.000 2.404 1057 D HA 0.521 5.064 4.640 -0.161 0.000 0.267 1057 D C 0.981 177.223 176.300 -0.095 0.000 1.194 1057 D CA 0.288 54.244 54.000 -0.074 0.000 0.910 1057 D CB 0.991 41.753 40.800 -0.063 0.000 1.090 1057 D HN 0.591 nan 8.370 nan 0.000 0.511 1058 A N 2.316 125.061 122.820 -0.125 0.000 2.148 1058 A HA -0.170 4.053 4.320 -0.161 0.000 0.222 1058 A C 1.802 179.292 177.584 -0.156 0.000 1.161 1058 A CA 2.106 54.055 52.037 -0.146 0.000 0.662 1058 A CB -0.513 18.379 19.000 -0.180 0.000 0.799 1058 A HN 0.536 nan 8.150 nan 0.000 0.466 1059 T N -3.944 110.509 114.554 -0.167 0.000 3.134 1059 T HA 0.244 4.497 4.350 -0.161 0.000 0.260 1059 T C 1.194 175.819 174.700 -0.125 0.000 1.027 1059 T CA 0.593 62.590 62.100 -0.172 0.000 0.913 1059 T CB 0.200 68.932 68.868 -0.226 0.000 1.046 1059 T HN 0.541 nan 8.240 nan 0.000 0.553 1060 E N 1.913 122.057 120.200 -0.094 0.000 2.016 1060 E HA 0.001 4.254 4.350 -0.161 0.000 0.190 1060 E C 0.744 177.314 176.600 -0.052 0.000 0.985 1060 E CA 0.713 57.075 56.400 -0.064 0.000 0.802 1060 E CB 0.201 29.874 29.700 -0.045 0.000 0.762 1060 E HN 0.690 nan 8.360 nan 0.000 0.448 1061 K N 0.094 120.467 120.400 -0.044 0.000 2.422 1061 K HA 0.389 4.612 4.320 -0.161 0.000 0.251 1061 K C -1.032 175.555 176.600 -0.023 0.000 0.933 1061 K CA -0.793 55.478 56.287 -0.027 0.000 0.798 1061 K CB 2.346 34.842 32.500 -0.007 0.000 1.238 1061 K HN -0.008 nan 8.250 nan 0.000 0.428 1062 V N 1.718 121.633 119.914 0.001 0.000 2.540 1062 V HA 0.687 4.710 4.120 -0.161 0.000 0.302 1062 V C -0.612 175.586 176.094 0.173 0.000 1.035 1062 V CA -0.776 61.561 62.300 0.062 0.000 0.873 1062 V CB 1.299 33.109 31.823 -0.022 0.000 0.992 1062 V HN 0.950 nan 8.190 nan 0.000 0.428 1063 I N 3.882 124.549 120.570 0.162 0.000 2.785 1063 I HA 0.761 4.834 4.170 -0.161 0.000 0.302 1063 I C 0.062 176.052 176.117 -0.212 0.000 1.069 1063 I CA -0.325 60.989 61.300 0.023 0.000 1.045 1063 I CB 2.626 40.580 38.000 -0.077 0.000 1.236 1063 I HN 1.039 nan 8.210 nan 0.000 0.429 1064 S N 4.406 119.833 115.700 -0.454 0.000 2.565 1064 S HA 0.304 4.678 4.470 -0.161 0.000 0.290 1064 S C 0.944 175.301 174.600 -0.405 0.000 1.150 1064 S CA -0.670 57.105 58.200 -0.708 0.000 1.058 1064 S CB 1.898 64.596 63.200 -0.838 0.000 1.032 1064 S HN 0.508 nan 8.310 nan 0.000 0.510 1065 V N 3.005 122.679 119.914 -0.399 0.000 2.317 1065 V HA -0.265 3.758 4.120 -0.161 0.000 0.251 1065 V C 2.696 178.522 176.094 -0.446 0.000 1.065 1065 V CA 2.481 64.538 62.300 -0.405 0.000 1.049 1065 V CB -1.350 30.238 31.823 -0.390 0.000 0.651 1065 V HN 0.887 nan 8.190 nan 0.000 0.450 1066 Q N 0.104 119.704 119.800 -0.334 0.000 2.030 1066 Q HA -0.217 4.026 4.340 -0.161 0.000 0.204 1066 Q C 2.246 178.183 176.000 -0.106 0.000 0.986 1066 Q CA 2.192 57.871 55.803 -0.208 0.000 0.843 1066 Q CB -0.385 28.251 28.738 -0.170 0.000 0.904 1066 Q HN 0.749 nan 8.270 nan 0.000 0.420 1067 E N -0.045 120.081 120.200 -0.124 0.000 2.077 1067 E HA -0.186 4.068 4.350 -0.161 0.000 0.193 1067 E C 2.053 178.656 176.600 0.006 0.000 0.989 1067 E CA 1.122 57.489 56.400 -0.055 0.000 0.800 1067 E CB -0.257 29.397 29.700 -0.077 0.000 0.746 1067 E HN 0.372 nan 8.360 nan 0.000 0.452 1068 M N 0.456 120.035 119.600 -0.035 0.000 2.082 1068 M HA -0.209 4.174 4.480 -0.161 0.000 0.258 1068 M C 2.180 178.683 176.300 0.338 0.000 1.071 1068 M CA 1.728 57.065 55.300 0.061 0.000 1.103 1068 M CB -0.588 31.957 32.600 -0.092 0.000 1.307 1068 M HN 0.243 nan 8.290 nan 0.000 0.409 1069 H N -0.916 118.191 119.070 0.062 0.000 2.518 1069 H HA -0.026 4.433 4.556 -0.162 0.000 0.289 1069 H C 1.956 177.312 175.328 0.046 0.000 1.051 1069 H CA 0.620 56.708 56.048 0.065 0.000 1.280 1069 H CB 0.052 29.829 29.762 0.026 0.000 1.380 1069 H HN 0.464 nan 8.280 nan 0.000 0.566 1070 A N 0.842 123.757 122.820 0.159 0.000 2.072 1070 A HA -0.091 4.132 4.320 -0.161 0.000 0.216 1070 A C 2.110 179.740 177.584 0.077 0.000 1.156 1070 A CA 0.456 52.547 52.037 0.090 0.000 0.701 1070 A CB 0.004 19.037 19.000 0.055 0.000 0.816 1070 A HN 0.418 nan 8.150 nan 0.000 0.458 1071 Q N -0.173 119.695 119.800 0.113 0.000 2.435 1071 Q HA 0.152 4.395 4.340 -0.161 0.000 0.207 1071 Q C -0.101 175.922 176.000 0.038 0.000 0.956 1071 Q CA 0.172 56.031 55.803 0.093 0.000 0.917 1071 Q CB -0.059 28.777 28.738 0.164 0.000 0.997 1071 Q HN 0.608 nan 8.270 nan 0.000 0.497 1072 I N 2.721 123.309 120.570 0.030 0.000 2.505 1072 I HA 0.034 4.107 4.170 -0.161 0.000 0.287 1072 I C 0.357 176.456 176.117 -0.030 0.000 1.104 1072 I CA -0.025 61.252 61.300 -0.038 0.000 1.387 1072 I CB 0.155 38.113 38.000 -0.070 0.000 1.404 1072 I HN -0.082 nan 8.210 nan 0.000 0.528 1073 K N 0.000 120.375 120.400 -0.042 0.000 2.780 1073 K HA 0.000 4.223 4.320 -0.161 0.000 0.191 1073 K CA 0.000 56.268 56.287 -0.031 0.000 0.838 1073 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543