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 1cs0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.250 176.300 -0.083 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.039 0.000 1.302 2 P HA 0.324 nan 4.420 nan 0.000 0.312 2 P C -1.416 175.594 177.300 -0.483 0.000 1.308 2 P CA -0.606 62.312 63.100 -0.302 0.000 0.743 2 P CB 0.055 31.656 31.700 -0.165 0.000 1.364 3 K N -0.007 119.945 120.400 -0.747 0.000 2.469 3 K HA 0.071 4.392 4.320 0.002 0.000 0.274 3 K C 0.157 176.677 176.600 -0.133 0.000 0.983 3 K CA -0.014 55.985 56.287 -0.480 0.000 0.974 3 K CB 0.319 32.700 32.500 -0.197 0.000 0.913 3 K HN 0.206 nan 8.250 nan 0.000 0.493 4 R N 0.623 121.119 120.500 -0.006 0.000 2.643 4 R HA -0.001 4.340 4.340 0.002 0.000 0.270 4 R C 0.623 176.984 176.300 0.101 0.000 1.061 4 R CA 0.642 56.769 56.100 0.045 0.000 1.107 4 R CB 0.565 30.898 30.300 0.054 0.000 0.999 4 R HN 0.962 nan 8.270 nan 0.000 0.460 5 T N -3.196 111.389 114.554 0.052 0.000 2.975 5 T HA -0.006 4.345 4.350 0.002 0.000 0.261 5 T C 0.510 175.236 174.700 0.044 0.000 0.984 5 T CA -0.236 61.885 62.100 0.035 0.000 0.911 5 T CB 0.207 69.076 68.868 0.001 0.000 1.127 5 T HN 0.634 nan 8.240 nan 0.000 0.514 6 D N 1.321 121.751 120.400 0.050 0.000 2.325 6 D HA 0.233 4.874 4.640 0.002 0.000 0.234 6 D C 0.220 176.560 176.300 0.067 0.000 1.122 6 D CA -0.291 53.736 54.000 0.045 0.000 0.850 6 D CB -0.174 40.645 40.800 0.032 0.000 0.921 6 D HN 0.457 nan 8.370 nan 0.000 0.513 7 I N -0.348 120.287 120.570 0.108 0.000 2.569 7 I HA 0.261 4.432 4.170 0.002 0.000 0.290 7 I C 0.593 176.843 176.117 0.222 0.000 1.088 7 I CA -0.678 60.715 61.300 0.156 0.000 1.047 7 I CB 2.559 40.658 38.000 0.165 0.000 1.237 7 I HN -0.316 nan 8.210 nan 0.000 0.421 8 K N 1.872 122.384 120.400 0.186 0.000 2.485 8 K HA 0.175 4.496 4.320 0.002 0.000 0.200 8 K C 0.244 176.982 176.600 0.230 0.000 1.352 8 K CA 0.189 56.573 56.287 0.162 0.000 0.953 8 K CB 0.857 33.396 32.500 0.064 0.000 1.387 8 K HN 0.651 nan 8.250 nan 0.000 0.512 9 S N 0.794 116.593 115.700 0.165 0.000 2.472 9 S HA 0.660 5.131 4.470 0.002 0.000 0.303 9 S C -0.412 174.246 174.600 0.097 0.000 1.099 9 S CA -0.818 57.459 58.200 0.129 0.000 1.077 9 S CB 1.180 64.429 63.200 0.081 0.000 1.031 9 S HN 0.099 nan 8.310 nan 0.000 0.487 10 I N 2.761 123.374 120.570 0.072 0.000 2.533 10 I HA 0.419 4.590 4.170 0.002 0.000 0.290 10 I C -1.057 175.071 176.117 0.017 0.000 1.056 10 I CA -0.855 60.457 61.300 0.019 0.000 1.057 10 I CB 2.020 39.998 38.000 -0.036 0.000 1.240 10 I HN 0.653 nan 8.210 nan 0.000 0.423 11 L N 7.819 129.044 121.223 0.003 0.000 2.295 11 L HA 0.657 4.997 4.340 0.002 0.000 0.285 11 L C -0.987 175.879 176.870 -0.005 0.000 1.035 11 L CA 0.100 54.939 54.840 -0.002 0.000 0.806 11 L CB 0.953 42.998 42.059 -0.024 0.000 1.214 11 L HN 0.433 nan 8.230 nan 0.000 0.426 12 I N 5.969 126.541 120.570 0.003 0.000 2.406 12 I HA 0.299 4.470 4.170 0.002 0.000 0.290 12 I C -0.650 175.467 176.117 0.000 0.000 0.999 12 I CA -0.636 60.664 61.300 0.001 0.000 1.124 12 I CB 1.594 39.599 38.000 0.008 0.000 1.289 12 I HN 0.488 nan 8.210 nan 0.000 0.441 13 L N 6.111 127.328 121.223 -0.009 0.000 2.315 13 L HA 0.389 4.730 4.340 0.002 0.000 0.283 13 L C 0.985 177.846 176.870 -0.017 0.000 1.089 13 L CA -0.271 54.559 54.840 -0.016 0.000 0.833 13 L CB 0.484 42.528 42.059 -0.026 0.000 1.170 13 L HN 0.691 nan 8.230 nan 0.000 0.442 14 G N 1.730 110.528 108.800 -0.004 0.000 2.599 14 G HA2 0.382 4.343 3.960 0.002 0.000 0.264 14 G HA3 0.382 4.343 3.960 0.002 0.000 0.264 14 G C 0.775 175.659 174.900 -0.026 0.000 1.200 14 G CA 0.127 45.230 45.100 0.006 0.000 0.896 14 G HN 0.780 nan 8.290 nan 0.000 0.536 15 A N -0.645 122.166 122.820 -0.014 0.000 2.072 15 A HA 0.548 4.869 4.320 0.002 0.000 0.216 15 A C 1.611 179.178 177.584 -0.028 0.000 1.156 15 A CA 1.603 53.598 52.037 -0.071 0.000 0.701 15 A CB -0.832 18.124 19.000 -0.074 0.000 0.816 15 A HN 2.548 nan 8.150 nan 0.000 0.458 16 G N -1.089 107.715 108.800 0.007 0.000 2.627 16 G HA2 -0.046 3.915 3.960 0.002 0.000 0.214 16 G HA3 -0.046 3.915 3.960 0.002 0.000 0.214 16 G C -3.057 171.852 174.900 0.014 0.000 1.331 16 G CA -0.469 44.633 45.100 0.003 0.000 0.891 16 G HN 0.327 nan 8.290 nan 0.000 0.539 17 P HA 0.366 nan 4.420 nan 0.000 0.269 17 P C 0.369 177.674 177.300 0.008 0.000 1.215 17 P CA -0.223 62.872 63.100 -0.009 0.000 0.780 17 P CB 0.321 32.003 31.700 -0.030 0.000 0.898 18 I N 2.264 122.838 120.570 0.007 0.000 2.556 18 I HA 0.114 4.285 4.170 0.002 0.000 0.284 18 I C 0.909 177.023 176.117 -0.005 0.000 1.114 18 I CA -0.044 61.268 61.300 0.019 0.000 1.418 18 I CB 0.077 38.082 38.000 0.008 0.000 1.394 18 I HN 0.195 nan 8.210 nan 0.000 0.552 19 V N 4.589 124.503 119.914 -0.000 0.000 3.160 19 V HA 0.563 4.684 4.120 0.002 0.000 0.310 19 V C -0.041 176.028 176.094 -0.042 0.000 1.181 19 V CA -1.220 61.060 62.300 -0.033 0.000 1.047 19 V CB 1.969 33.767 31.823 -0.041 0.000 1.068 19 V HN 0.447 nan 8.190 nan 0.000 0.441 20 I N 2.259 122.779 120.570 -0.083 0.000 2.668 20 I HA 0.412 4.583 4.170 0.002 0.000 0.285 20 I C 1.557 177.617 176.117 -0.095 0.000 1.168 20 I CA 2.005 63.243 61.300 -0.104 0.000 1.424 20 I CB 0.523 38.424 38.000 -0.165 0.000 1.377 20 I HN 1.268 nan 8.210 nan 0.000 0.560 21 G N 4.720 113.472 108.800 -0.080 0.000 2.241 21 G HA2 -0.301 3.660 3.960 0.002 0.000 0.244 21 G HA3 -0.301 3.660 3.960 0.002 0.000 0.244 21 G C 0.311 175.239 174.900 0.046 0.000 0.998 21 G CA 0.210 45.272 45.100 -0.063 0.000 0.621 21 G HN 0.619 nan 8.290 nan 0.000 0.519 22 Q N 0.038 119.888 119.800 0.084 0.000 3.255 22 Q HA 0.688 5.029 4.340 0.002 0.000 0.231 22 Q C 0.112 176.248 176.000 0.227 0.000 0.935 22 Q CA 0.419 56.377 55.803 0.260 0.000 0.714 22 Q CB 0.652 29.482 28.738 0.152 0.000 1.345 22 Q HN 0.906 nan 8.270 nan 0.000 0.463 23 A N 0.391 123.298 122.820 0.145 0.000 3.837 23 A HA 0.378 4.699 4.320 0.002 0.000 0.159 23 A C 1.044 178.635 177.584 0.012 0.000 1.157 23 A CA -0.136 51.934 52.037 0.054 0.000 0.890 23 A CB -0.331 18.661 19.000 -0.014 0.000 1.553 23 A HN 0.794 nan 8.150 nan 0.000 0.642 24 C N 1.328 120.612 119.300 -0.028 0.000 2.401 24 C HA -0.095 4.366 4.460 0.002 0.000 0.286 24 C C 2.482 177.433 174.990 -0.065 0.000 1.332 24 C CA 1.107 60.115 59.018 -0.018 0.000 1.795 24 C CB -1.490 26.244 27.740 -0.009 0.000 1.922 24 C HN 0.843 nan 8.230 nan 0.000 0.520 25 E N 1.424 121.480 120.200 -0.239 0.000 2.209 25 E HA -0.216 4.135 4.350 0.002 0.000 0.196 25 E C 1.399 177.777 176.600 -0.369 0.000 0.993 25 E CA 1.577 57.769 56.400 -0.346 0.000 0.819 25 E CB -0.700 28.666 29.700 -0.557 0.000 0.745 25 E HN 0.633 nan 8.360 nan 0.000 0.477 26 F N 1.564 121.574 119.950 0.100 0.000 2.512 26 F HA 0.066 4.594 4.527 0.002 0.000 0.296 26 F C 2.099 177.940 175.800 0.068 0.000 1.110 26 F CA 0.747 58.789 58.000 0.071 0.000 1.446 26 F CB -0.390 38.635 39.000 0.041 0.000 1.092 26 F HN 0.021 nan 8.300 nan 0.000 0.554 27 D N -0.639 119.872 120.400 0.185 0.000 2.123 27 D HA -0.234 4.407 4.640 0.002 0.000 0.200 27 D C 2.167 178.550 176.300 0.138 0.000 0.976 27 D CA 1.056 55.145 54.000 0.148 0.000 0.831 27 D CB -0.332 40.546 40.800 0.129 0.000 0.974 27 D HN 0.303 nan 8.370 nan 0.000 0.469 28 Y N 1.128 121.434 120.300 0.010 0.000 2.145 28 Y HA -0.192 4.359 4.550 0.002 0.000 0.286 28 Y C 2.487 178.393 175.900 0.009 0.000 1.145 28 Y CA 2.580 60.674 58.100 -0.010 0.000 1.148 28 Y CB -0.862 37.575 38.460 -0.039 0.000 0.981 28 Y HN 0.065 nan 8.280 nan 0.000 0.507 29 S N -0.300 115.302 115.700 -0.163 0.000 2.355 29 S HA -0.084 4.387 4.470 0.002 0.000 0.222 29 S C 2.366 176.904 174.600 -0.103 0.000 1.031 29 S CA 1.131 59.203 58.200 -0.214 0.000 0.993 29 S CB -1.559 61.657 63.200 0.026 0.000 0.859 29 S HN 0.578 nan 8.310 nan 0.000 0.453 30 G N 1.426 110.237 108.800 0.018 0.000 2.440 30 G HA2 0.035 3.996 3.960 0.002 0.000 0.218 30 G HA3 0.035 3.996 3.960 0.002 0.000 0.218 30 G C 1.708 176.601 174.900 -0.012 0.000 1.154 30 G CA 0.956 46.072 45.100 0.027 0.000 0.767 30 G HN 0.843 nan 8.290 nan 0.000 0.552 31 A N 0.136 122.941 122.820 -0.025 0.000 1.930 31 A HA -0.027 4.294 4.320 0.002 0.000 0.217 31 A C 2.329 179.863 177.584 -0.084 0.000 1.175 31 A CA 1.736 53.755 52.037 -0.030 0.000 0.627 31 A CB -0.333 18.665 19.000 -0.004 0.000 0.815 31 A HN 0.439 nan 8.150 nan 0.000 0.443 32 Q N -0.723 118.969 119.800 -0.179 0.000 2.119 32 Q HA -0.105 4.236 4.340 0.002 0.000 0.201 32 Q C 2.429 178.362 176.000 -0.111 0.000 0.972 32 Q CA 1.303 56.988 55.803 -0.197 0.000 0.847 32 Q CB -0.329 28.199 28.738 -0.350 0.000 0.903 32 Q HN 0.686 nan 8.270 nan 0.000 0.433 33 A N 0.297 123.064 122.820 -0.087 0.000 1.930 33 A HA -0.162 4.159 4.320 0.002 0.000 0.217 33 A C 2.358 179.927 177.584 -0.025 0.000 1.175 33 A CA 1.088 53.096 52.037 -0.048 0.000 0.627 33 A CB -0.822 18.159 19.000 -0.032 0.000 0.815 33 A HN 0.453 nan 8.150 nan 0.000 0.443 34 C N -0.576 118.714 119.300 -0.015 0.000 2.432 34 C HA -0.089 4.372 4.460 0.002 0.000 0.277 34 C C 2.714 177.711 174.990 0.011 0.000 1.249 34 C CA 1.415 60.437 59.018 0.007 0.000 1.725 34 C CB -0.988 26.761 27.740 0.015 0.000 2.028 34 C HN 0.767 nan 8.230 nan 0.000 0.477 35 K N 1.324 121.719 120.400 -0.007 0.000 2.009 35 K HA -0.166 4.155 4.320 0.002 0.000 0.210 35 K C 2.123 178.725 176.600 0.003 0.000 1.049 35 K CA 1.849 58.132 56.287 -0.006 0.000 0.929 35 K CB -0.380 32.103 32.500 -0.028 0.000 0.714 35 K HN 0.376 nan 8.250 nan 0.000 0.440 36 A N 1.345 124.157 122.820 -0.012 0.000 1.883 36 A HA -0.132 4.189 4.320 0.002 0.000 0.217 36 A C 2.193 179.799 177.584 0.037 0.000 1.186 36 A CA 1.541 53.573 52.037 -0.009 0.000 0.624 36 A CB -0.664 18.316 19.000 -0.033 0.000 0.822 36 A HN 0.361 nan 8.150 nan 0.000 0.444 37 L N -1.492 119.757 121.223 0.044 0.000 2.072 37 L HA -0.114 4.227 4.340 0.002 0.000 0.205 37 L C 2.858 179.852 176.870 0.207 0.000 1.079 37 L CA 1.252 56.155 54.840 0.105 0.000 0.752 37 L CB -0.562 41.508 42.059 0.019 0.000 0.906 37 L HN 0.426 nan 8.230 nan 0.000 0.436 38 R N 0.883 121.454 120.500 0.119 0.000 2.083 38 R HA -0.190 4.151 4.340 0.002 0.000 0.237 38 R C 2.027 178.385 176.300 0.096 0.000 1.137 38 R CA 1.803 57.965 56.100 0.105 0.000 0.951 38 R CB -0.195 30.143 30.300 0.063 0.000 0.851 38 R HN 0.475 nan 8.270 nan 0.000 0.434 39 E N 0.180 120.424 120.200 0.074 0.000 2.171 39 E HA -0.184 4.167 4.350 0.002 0.000 0.197 39 E C 1.405 178.056 176.600 0.085 0.000 0.997 39 E CA 0.870 57.304 56.400 0.056 0.000 0.810 39 E CB -0.034 29.683 29.700 0.029 0.000 0.738 39 E HN 0.391 nan 8.360 nan 0.000 0.467 40 E N -0.152 120.147 120.200 0.165 0.000 2.502 40 E HA 0.022 4.373 4.350 0.002 0.000 0.194 40 E C 0.948 177.605 176.600 0.094 0.000 1.062 40 E CA 0.547 57.091 56.400 0.240 0.000 0.867 40 E CB 0.473 30.464 29.700 0.484 0.000 0.888 40 E HN 0.382 nan 8.360 nan 0.000 0.510 41 G N 1.319 110.152 108.800 0.056 0.000 2.212 41 G HA2 -0.292 3.669 3.960 0.002 0.000 0.255 41 G HA3 -0.292 3.669 3.960 0.002 0.000 0.255 41 G C -0.330 174.454 174.900 -0.194 0.000 1.062 41 G CA 0.133 45.191 45.100 -0.069 0.000 0.815 41 G HN 0.215 nan 8.290 nan 0.000 0.497 42 Y N -0.986 119.339 120.300 0.042 0.000 2.519 42 Y HA 0.676 5.227 4.550 0.002 0.000 0.324 42 Y C 1.028 176.947 175.900 0.031 0.000 1.214 42 Y CA -1.010 57.113 58.100 0.039 0.000 1.260 42 Y CB 0.972 39.459 38.460 0.044 0.000 1.311 42 Y HN 0.165 nan 8.280 nan 0.000 0.505 43 R N 1.381 122.001 120.500 0.200 0.000 2.229 43 R HA 0.568 4.909 4.340 0.002 0.000 0.328 43 R C -1.871 174.508 176.300 0.131 0.000 1.009 43 R CA -0.387 55.787 56.100 0.124 0.000 0.864 43 R CB 0.511 30.862 30.300 0.086 0.000 1.085 43 R HN 0.529 nan 8.270 nan 0.000 0.453 44 V N 6.688 126.662 119.914 0.100 0.000 2.435 44 V HA 0.463 4.584 4.120 0.002 0.000 0.290 44 V C 0.062 176.199 176.094 0.072 0.000 1.030 44 V CA -0.725 61.623 62.300 0.080 0.000 0.881 44 V CB 1.652 33.518 31.823 0.071 0.000 0.983 44 V HN 0.676 nan 8.190 nan 0.000 0.445 45 I N 6.107 126.719 120.570 0.069 0.000 2.509 45 I HA 0.593 4.764 4.170 0.002 0.000 0.293 45 I C -0.782 175.382 176.117 0.078 0.000 1.020 45 I CA -0.597 60.758 61.300 0.092 0.000 1.088 45 I CB 1.888 39.933 38.000 0.074 0.000 1.267 45 I HN 0.465 nan 8.210 nan 0.000 0.430 46 L N 5.705 126.997 121.223 0.115 0.000 2.376 46 L HA 0.803 5.144 4.340 0.002 0.000 0.258 46 L C -1.504 175.440 176.870 0.123 0.000 1.013 46 L CA -0.924 53.966 54.840 0.085 0.000 0.822 46 L CB 1.694 43.787 42.059 0.056 0.000 1.388 46 L HN 0.427 nan 8.230 nan 0.000 0.413 47 V N 2.625 122.580 119.914 0.069 0.000 2.588 47 V HA 0.751 4.872 4.120 0.002 0.000 0.304 47 V C -1.358 174.763 176.094 0.046 0.000 1.042 47 V CA -0.066 62.276 62.300 0.070 0.000 0.877 47 V CB 1.602 33.431 31.823 0.009 0.000 0.996 47 V HN 1.016 nan 8.190 nan 0.000 0.425 48 N N 3.156 121.887 118.700 0.051 0.000 2.648 48 N HA 0.203 4.944 4.740 0.002 0.000 0.272 48 N C 0.377 175.903 175.510 0.028 0.000 1.118 48 N CA 0.292 53.363 53.050 0.035 0.000 0.973 48 N CB 2.277 40.790 38.487 0.043 0.000 1.565 48 N HN 0.671 nan 8.380 nan 0.000 0.542 49 S N 1.427 117.136 115.700 0.014 0.000 2.555 49 S HA -0.012 4.459 4.470 0.002 0.000 0.230 49 S C 0.686 175.286 174.600 0.001 0.000 0.978 49 S CA 0.092 58.294 58.200 0.003 0.000 0.934 49 S CB -0.218 62.975 63.200 -0.011 0.000 0.766 49 S HN 0.539 nan 8.310 nan 0.000 0.533 50 N N 3.180 121.885 118.700 0.007 0.000 2.469 50 N HA 0.270 5.011 4.740 0.002 0.000 0.239 50 N C -1.743 173.767 175.510 0.001 0.000 1.053 50 N CA -2.438 50.612 53.050 0.000 0.000 0.937 50 N CB 1.377 39.871 38.487 0.011 0.000 1.163 50 N HN 0.046 nan 8.380 nan 0.000 0.509 51 P HA -0.021 nan 4.420 nan 0.000 0.225 51 P C 0.236 177.462 177.300 -0.124 0.000 1.156 51 P CA 0.544 63.635 63.100 -0.016 0.000 0.787 51 P CB 0.182 31.916 31.700 0.057 0.000 0.802 52 A N 0.363 123.088 122.820 -0.157 0.000 2.543 52 A HA 0.270 4.591 4.320 0.002 0.000 0.258 52 A C 0.536 178.061 177.584 -0.099 0.000 1.391 52 A CA 0.089 51.937 52.037 -0.314 0.000 1.066 52 A CB -1.358 17.497 19.000 -0.241 0.000 0.972 52 A HN 0.292 nan 8.150 nan 0.000 0.560 53 T N -3.124 111.450 114.554 0.033 0.000 2.863 53 T HA 0.534 4.885 4.350 0.002 0.000 0.285 53 T C 0.894 175.780 174.700 0.311 0.000 1.009 53 T CA -0.707 61.502 62.100 0.180 0.000 0.989 53 T CB 1.140 70.073 68.868 0.109 0.000 1.004 53 T HN -0.031 nan 8.240 nan 0.000 0.455 54 I N 2.177 122.898 120.570 0.251 0.000 2.394 54 I HA -0.124 4.047 4.170 0.002 0.000 0.251 54 I C 2.530 178.727 176.117 0.135 0.000 1.136 54 I CA 1.550 62.946 61.300 0.159 0.000 1.425 54 I CB -0.852 37.177 38.000 0.048 0.000 1.079 54 I HN 0.856 nan 8.210 nan 0.000 0.425 55 M N 0.349 120.017 119.600 0.112 0.000 2.539 55 M HA -0.100 4.381 4.480 0.002 0.000 0.261 55 M C 1.520 177.870 176.300 0.083 0.000 1.069 55 M CA 1.884 57.233 55.300 0.082 0.000 1.081 55 M CB -0.931 31.709 32.600 0.066 0.000 1.412 55 M HN 0.228 nan 8.290 nan 0.000 0.482 56 T N -2.910 111.708 114.554 0.107 0.000 3.122 56 T HA 0.170 4.521 4.350 0.002 0.000 0.250 56 T C -0.047 174.713 174.700 0.100 0.000 1.067 56 T CA -0.510 61.639 62.100 0.082 0.000 0.966 56 T CB -0.393 68.513 68.868 0.062 0.000 1.002 56 T HN 0.256 nan 8.240 nan 0.000 0.542 57 D N 3.807 124.294 120.400 0.145 0.000 2.383 57 D HA 0.172 4.813 4.640 0.002 0.000 0.252 57 D C -1.304 175.049 176.300 0.089 0.000 1.166 57 D CA -2.078 52.020 54.000 0.164 0.000 0.879 57 D CB 1.722 42.645 40.800 0.205 0.000 1.164 57 D HN 0.094 nan 8.370 nan 0.000 0.462 58 P HA -0.228 nan 4.420 nan 0.000 0.218 58 P C 0.991 178.310 177.300 0.031 0.000 1.154 58 P CA 1.392 64.511 63.100 0.032 0.000 0.872 58 P CB 0.123 31.871 31.700 0.081 0.000 0.790 59 E N -1.153 119.073 120.200 0.043 0.000 2.511 59 E HA -0.038 4.313 4.350 0.002 0.000 0.196 59 E C 1.246 177.861 176.600 0.025 0.000 1.066 59 E CA 0.533 56.949 56.400 0.027 0.000 0.871 59 E CB -0.488 29.222 29.700 0.016 0.000 0.863 59 E HN 0.218 nan 8.360 nan 0.000 0.520 60 M N 0.456 120.076 119.600 0.032 0.000 2.516 60 M HA 0.332 4.813 4.480 0.002 0.000 0.259 60 M C 1.031 177.349 176.300 0.030 0.000 1.146 60 M CA 0.276 55.595 55.300 0.031 0.000 1.122 60 M CB 0.259 32.882 32.600 0.039 0.000 1.341 60 M HN 0.177 nan 8.290 nan 0.000 0.478 61 A N -0.288 122.548 122.820 0.027 0.000 2.524 61 A HA 0.543 4.864 4.320 0.002 0.000 0.289 61 A C -0.070 177.526 177.584 0.021 0.000 1.248 61 A CA -0.544 51.511 52.037 0.030 0.000 0.712 61 A CB 0.756 19.777 19.000 0.035 0.000 1.312 61 A HN 0.160 nan 8.150 nan 0.000 0.441 62 D N -0.270 120.147 120.400 0.029 0.000 2.262 62 D HA 0.323 4.964 4.640 0.002 0.000 0.212 62 D C 0.530 176.835 176.300 0.007 0.000 0.964 62 D CA 1.623 55.637 54.000 0.023 0.000 0.875 62 D CB 0.437 41.261 40.800 0.040 0.000 0.996 62 D HN 0.704 nan 8.370 nan 0.000 0.497 63 A N 0.919 123.752 122.820 0.022 0.000 2.530 63 A HA 0.487 4.808 4.320 0.002 0.000 0.279 63 A C -0.695 176.899 177.584 0.016 0.000 1.109 63 A CA -0.545 51.495 52.037 0.004 0.000 0.763 63 A CB 1.090 20.175 19.000 0.142 0.000 1.257 63 A HN -0.136 nan 8.150 nan 0.000 0.424 64 T N 2.294 116.747 114.554 -0.168 0.000 2.771 64 T HA 0.535 4.886 4.350 0.002 0.000 0.281 64 T C -1.103 173.405 174.700 -0.320 0.000 0.982 64 T CA 0.177 62.205 62.100 -0.121 0.000 0.978 64 T CB 0.267 69.073 68.868 -0.103 0.000 0.930 64 T HN 0.402 nan 8.240 nan 0.000 0.447 65 Y N 2.426 122.691 120.300 -0.059 0.000 2.388 65 Y HA 0.457 5.008 4.550 0.002 0.000 0.328 65 Y C 0.331 176.195 175.900 -0.061 0.000 0.963 65 Y CA -0.965 57.092 58.100 -0.071 0.000 1.240 65 Y CB 0.808 39.229 38.460 -0.066 0.000 1.118 65 Y HN 0.557 nan 8.280 nan 0.000 0.484 66 I N 5.190 125.771 120.570 0.017 0.000 2.241 66 I HA 0.212 4.383 4.170 0.002 0.000 0.294 66 I C -0.357 175.775 176.117 0.025 0.000 1.145 66 I CA 0.049 61.357 61.300 0.014 0.000 1.261 66 I CB -0.065 37.920 38.000 -0.024 0.000 1.475 66 I HN 0.536 nan 8.210 nan 0.000 0.533 67 E N 6.271 126.501 120.200 0.049 0.000 2.393 67 E HA 0.452 4.803 4.350 0.002 0.000 0.273 67 E C -2.611 173.987 176.600 -0.003 0.000 0.918 67 E CA -2.143 54.270 56.400 0.021 0.000 0.773 67 E CB 1.875 31.600 29.700 0.042 0.000 1.275 67 E HN 0.050 nan 8.360 nan 0.000 0.451 68 P HA 0.066 nan 4.420 nan 0.000 0.262 68 P C -0.004 177.298 177.300 0.003 0.000 1.182 68 P CA 0.408 63.493 63.100 -0.025 0.000 0.761 68 P CB 0.142 31.810 31.700 -0.054 0.000 0.795 69 I N 3.512 124.091 120.570 0.016 0.000 2.213 69 I HA 0.123 4.294 4.170 0.002 0.000 0.295 69 I C 0.949 177.100 176.117 0.056 0.000 1.172 69 I CA 0.063 61.375 61.300 0.021 0.000 1.443 69 I CB -0.821 37.180 38.000 0.001 0.000 1.491 69 I HN 0.390 nan 8.210 nan 0.000 0.652 70 H N 5.557 124.597 119.070 -0.050 0.000 2.538 70 H HA 0.077 4.634 4.556 0.002 0.000 0.353 70 H C 0.525 175.806 175.328 -0.077 0.000 1.109 70 H CA -0.842 55.171 56.048 -0.058 0.000 1.192 70 H CB 1.694 31.378 29.762 -0.130 0.000 1.555 70 H HN 0.603 nan 8.280 nan 0.000 0.518 71 W N 5.014 126.162 121.300 -0.253 0.000 2.321 71 W HA -0.153 4.508 4.660 0.002 0.000 0.306 71 W C 0.614 177.169 176.519 0.060 0.000 1.217 71 W CA 1.176 58.459 57.345 -0.102 0.000 1.257 71 W CB -0.518 28.844 29.460 -0.164 0.000 1.145 71 W HN 0.649 nan 8.180 nan 0.000 0.509 72 E N 0.893 120.615 120.200 -0.796 0.000 2.077 72 E HA -0.173 4.178 4.350 0.002 0.000 0.193 72 E C 2.397 178.810 176.600 -0.312 0.000 0.989 72 E CA 1.950 57.901 56.400 -0.748 0.000 0.800 72 E CB -0.313 28.925 29.700 -0.770 0.000 0.746 72 E HN 0.142 nan 8.360 nan 0.000 0.452 73 V N 0.900 120.707 119.914 -0.179 0.000 2.358 73 V HA -0.202 3.919 4.120 0.002 0.000 0.246 73 V C 2.322 178.324 176.094 -0.152 0.000 1.047 73 V CA 1.245 63.454 62.300 -0.151 0.000 1.035 73 V CB -0.267 31.494 31.823 -0.104 0.000 0.658 73 V HN 0.129 nan 8.190 nan 0.000 0.452 74 V N 0.248 120.101 119.914 -0.103 0.000 2.515 74 V HA -0.245 3.876 4.120 0.002 0.000 0.250 74 V C 2.530 178.535 176.094 -0.147 0.000 1.058 74 V CA 2.203 64.432 62.300 -0.118 0.000 1.064 74 V CB -0.905 30.893 31.823 -0.041 0.000 0.675 74 V HN 0.514 nan 8.190 nan 0.000 0.461 75 R N 0.462 120.904 120.500 -0.096 0.000 2.091 75 R HA -0.177 4.164 4.340 0.002 0.000 0.238 75 R C 2.357 178.513 176.300 -0.240 0.000 1.136 75 R CA 1.405 57.444 56.100 -0.101 0.000 0.959 75 R CB -0.125 30.191 30.300 0.027 0.000 0.856 75 R HN 0.324 nan 8.270 nan 0.000 0.437 76 K N 0.467 120.741 120.400 -0.211 0.000 2.147 76 K HA -0.122 4.199 4.320 0.002 0.000 0.205 76 K C 2.055 178.479 176.600 -0.293 0.000 1.049 76 K CA 1.151 57.308 56.287 -0.217 0.000 0.936 76 K CB -0.212 32.189 32.500 -0.165 0.000 0.722 76 K HN 0.350 nan 8.250 nan 0.000 0.446 77 I N 0.480 120.833 120.570 -0.362 0.000 2.286 77 I HA -0.203 3.968 4.170 0.002 0.000 0.245 77 I C 2.273 178.139 176.117 -0.419 0.000 1.104 77 I CA 0.790 61.775 61.300 -0.524 0.000 1.397 77 I CB -0.114 37.449 38.000 -0.727 0.000 1.072 77 I HN -0.003 nan 8.210 nan 0.000 0.417 78 I N 0.527 120.859 120.570 -0.397 0.000 2.202 78 I HA -0.301 3.870 4.170 0.002 0.000 0.242 78 I C 2.640 178.370 176.117 -0.646 0.000 1.091 78 I CA 1.467 62.510 61.300 -0.427 0.000 1.368 78 I CB -0.297 37.456 38.000 -0.412 0.000 1.058 78 I HN 0.281 nan 8.210 nan 0.000 0.410 79 E N 1.526 121.163 120.200 -0.939 0.000 2.097 79 E HA -0.344 4.007 4.350 0.002 0.000 0.196 79 E C 2.192 178.604 176.600 -0.312 0.000 1.000 79 E CA 1.904 57.740 56.400 -0.940 0.000 0.804 79 E CB -0.079 29.330 29.700 -0.485 0.000 0.740 79 E HN 0.394 nan 8.360 nan 0.000 0.454 80 K N -0.341 119.912 120.400 -0.245 0.000 2.167 80 K HA -0.087 4.234 4.320 0.002 0.000 0.203 80 K C 1.625 178.182 176.600 -0.071 0.000 1.052 80 K CA 1.180 57.400 56.287 -0.112 0.000 0.956 80 K CB 0.261 32.713 32.500 -0.080 0.000 0.735 80 K HN 0.053 nan 8.250 nan 0.000 0.451 81 E N 0.487 120.619 120.200 -0.113 0.000 2.389 81 E HA 0.053 4.404 4.350 0.002 0.000 0.199 81 E C -0.311 176.274 176.600 -0.026 0.000 0.978 81 E CA 0.004 56.381 56.400 -0.038 0.000 0.912 81 E CB 0.516 30.198 29.700 -0.029 0.000 0.907 81 E HN 0.169 nan 8.360 nan 0.000 0.494 82 R N 0.919 121.378 120.500 -0.067 0.000 3.146 82 R HA -0.119 4.222 4.340 0.002 0.000 0.250 82 R C -2.433 173.878 176.300 0.019 0.000 0.912 82 R CA 0.302 56.401 56.100 -0.002 0.000 0.633 82 R CB -2.464 27.876 30.300 0.068 0.000 1.180 82 R HN 0.228 nan 8.270 nan 0.000 0.464 83 P HA 0.113 nan 4.420 nan 0.000 0.272 83 P C 0.502 177.827 177.300 0.041 0.000 1.223 83 P CA -0.256 62.855 63.100 0.018 0.000 0.784 83 P CB 0.700 32.398 31.700 -0.004 0.000 0.923 84 D N 0.059 120.489 120.400 0.051 0.000 2.183 84 D HA 0.086 4.727 4.640 0.002 0.000 0.205 84 D C 0.753 177.079 176.300 0.044 0.000 0.962 84 D CA 1.141 55.175 54.000 0.056 0.000 0.849 84 D CB 0.299 41.139 40.800 0.067 0.000 0.978 84 D HN 0.455 nan 8.370 nan 0.000 0.488 85 A N -0.108 122.731 122.820 0.032 0.000 2.479 85 A HA 0.625 4.946 4.320 0.002 0.000 0.296 85 A C -1.319 176.267 177.584 0.003 0.000 1.121 85 A CA -0.570 51.476 52.037 0.015 0.000 0.743 85 A CB 2.381 21.382 19.000 0.002 0.000 1.323 85 A HN -0.058 nan 8.150 nan 0.000 0.415 86 V N 0.884 120.797 119.914 -0.002 0.000 2.709 86 V HA 0.714 4.835 4.120 0.002 0.000 0.308 86 V C -1.734 174.352 176.094 -0.012 0.000 1.062 86 V CA -0.632 61.664 62.300 -0.008 0.000 0.901 86 V CB 1.552 33.372 31.823 -0.004 0.000 1.003 86 V HN 1.108 nan 8.190 nan 0.000 0.425 87 L N 9.525 130.738 121.223 -0.016 0.000 2.316 87 L HA 0.792 5.133 4.340 0.002 0.000 0.280 87 L C -2.281 174.581 176.870 -0.012 0.000 1.006 87 L CA -1.150 53.680 54.840 -0.016 0.000 0.836 87 L CB 2.289 44.333 42.059 -0.025 0.000 1.221 87 L HN 0.539 nan 8.230 nan 0.000 0.418 88 P HA 0.163 nan 4.420 nan 0.000 0.280 88 P C 0.329 177.616 177.300 -0.022 0.000 1.431 88 P CA 0.072 63.163 63.100 -0.016 0.000 1.058 88 P CB 0.409 32.104 31.700 -0.008 0.000 1.521 89 T N -4.353 110.195 114.554 -0.010 0.000 3.186 89 T HA 0.277 4.628 4.350 0.002 0.000 0.257 89 T C 0.977 175.686 174.700 0.016 0.000 1.029 89 T CA -0.091 62.008 62.100 -0.002 0.000 0.916 89 T CB -0.421 68.456 68.868 0.014 0.000 1.041 89 T HN -0.151 nan 8.240 nan 0.000 0.562 90 M N 0.967 120.571 119.600 0.007 0.000 2.496 90 M HA 0.408 4.889 4.480 0.002 0.000 0.330 90 M C 1.028 177.345 176.300 0.029 0.000 1.133 90 M CA -0.044 55.291 55.300 0.058 0.000 0.964 90 M CB 0.907 33.535 32.600 0.048 0.000 1.401 90 M HN 0.420 nan 8.290 nan 0.000 0.520 91 G N 0.170 108.887 108.800 -0.139 0.000 4.803 91 G HA2 0.503 4.464 3.960 0.002 0.000 0.266 91 G HA3 0.503 4.464 3.960 0.002 0.000 0.266 91 G C 0.625 175.126 174.900 -0.665 0.000 1.111 91 G CA 0.112 45.036 45.100 -0.293 0.000 0.874 91 G HN 0.588 nan 8.290 nan 0.000 0.555 92 G N 0.617 108.668 108.800 -1.248 0.000 2.645 92 G HA2 -0.283 3.678 3.960 0.002 0.000 0.246 92 G HA3 -0.283 3.678 3.960 0.002 0.000 0.246 92 G C 0.777 175.407 174.900 -0.451 0.000 1.322 92 G CA 0.545 44.927 45.100 -1.195 0.000 0.898 92 G HN 0.586 nan 8.290 nan 0.000 0.573 93 Q N -1.107 118.525 119.800 -0.279 0.000 2.187 93 Q HA 0.086 4.427 4.340 0.002 0.000 0.199 93 Q C 2.855 178.799 176.000 -0.095 0.000 0.957 93 Q CA 2.594 58.323 55.803 -0.122 0.000 0.857 93 Q CB -0.600 28.100 28.738 -0.063 0.000 0.929 93 Q HN 0.716 nan 8.270 nan 0.000 0.453 94 T N 0.104 114.577 114.554 -0.134 0.000 2.635 94 T HA -0.239 4.112 4.350 0.002 0.000 0.267 94 T C 1.649 176.302 174.700 -0.080 0.000 1.040 94 T CA 1.650 63.695 62.100 -0.091 0.000 1.156 94 T CB -0.569 68.240 68.868 -0.097 0.000 0.863 94 T HN 0.481 nan 8.240 nan 0.000 0.430 95 A N 0.837 123.585 122.820 -0.120 0.000 1.933 95 A HA 0.039 4.359 4.320 0.002 0.000 0.218 95 A C 2.327 179.883 177.584 -0.048 0.000 1.175 95 A CA 1.115 53.102 52.037 -0.084 0.000 0.628 95 A CB -0.731 18.211 19.000 -0.097 0.000 0.814 95 A HN 0.478 nan 8.150 nan 0.000 0.444 96 L N -0.525 120.672 121.223 -0.043 0.000 2.005 96 L HA -0.209 4.132 4.340 0.002 0.000 0.207 96 L C 2.404 179.307 176.870 0.054 0.000 1.072 96 L CA 1.487 56.338 54.840 0.018 0.000 0.744 96 L CB -0.844 41.237 42.059 0.037 0.000 0.895 96 L HN 0.331 nan 8.230 nan 0.000 0.433 97 N N -0.291 118.441 118.700 0.052 0.000 2.061 97 N HA -0.239 4.502 4.740 0.002 0.000 0.193 97 N C 1.893 177.381 175.510 -0.037 0.000 1.030 97 N CA 1.686 54.746 53.050 0.016 0.000 0.856 97 N CB -0.945 37.544 38.487 0.004 0.000 1.023 97 N HN 0.372 nan 8.380 nan 0.000 0.424 98 C N 0.729 120.013 119.300 -0.026 0.000 2.429 98 C HA 0.095 4.556 4.460 0.002 0.000 0.277 98 C C 2.731 177.711 174.990 -0.017 0.000 1.262 98 C CA 1.024 60.031 59.018 -0.019 0.000 1.733 98 C CB -1.318 26.417 27.740 -0.008 0.000 2.010 98 C HN 0.483 nan 8.230 nan 0.000 0.483 99 A N -0.078 122.734 122.820 -0.013 0.000 1.940 99 A HA -0.089 4.232 4.320 0.002 0.000 0.219 99 A C 1.946 179.516 177.584 -0.023 0.000 1.176 99 A CA 1.758 53.790 52.037 -0.008 0.000 0.631 99 A CB -0.564 18.437 19.000 0.001 0.000 0.814 99 A HN 0.555 nan 8.150 nan 0.000 0.446 100 L N -0.837 120.366 121.223 -0.034 0.000 2.179 100 L HA -0.026 4.315 4.340 0.002 0.000 0.208 100 L C 2.344 179.131 176.870 -0.140 0.000 1.096 100 L CA 1.900 56.698 54.840 -0.070 0.000 0.779 100 L CB -0.553 41.468 42.059 -0.063 0.000 0.922 100 L HN 0.481 nan 8.230 nan 0.000 0.443 101 E N 0.111 120.212 120.200 -0.164 0.000 2.051 101 E HA -0.196 4.155 4.350 0.002 0.000 0.192 101 E C 2.217 178.653 176.600 -0.273 0.000 0.991 101 E CA 1.371 57.609 56.400 -0.271 0.000 0.799 101 E CB -0.349 29.188 29.700 -0.272 0.000 0.748 101 E HN 0.368 nan 8.360 nan 0.000 0.449 102 L N 0.630 121.786 121.223 -0.112 0.000 2.081 102 L HA -0.212 4.129 4.340 0.002 0.000 0.212 102 L C 2.686 179.521 176.870 -0.059 0.000 1.080 102 L CA 1.576 56.400 54.840 -0.027 0.000 0.754 102 L CB -0.410 41.674 42.059 0.040 0.000 0.893 102 L HN 0.288 nan 8.230 nan 0.000 0.433 103 E N -0.049 120.104 120.200 -0.077 0.000 2.028 103 E HA -0.201 4.150 4.350 0.002 0.000 0.190 103 E C 2.317 178.852 176.600 -0.109 0.000 0.984 103 E CA 0.780 57.141 56.400 -0.066 0.000 0.800 103 E CB 0.051 29.721 29.700 -0.050 0.000 0.758 103 E HN 0.322 nan 8.360 nan 0.000 0.448 104 R N 0.356 120.757 120.500 -0.164 0.000 2.097 104 R HA -0.162 4.179 4.340 0.002 0.000 0.236 104 R C 2.204 178.361 176.300 -0.239 0.000 1.135 104 R CA 1.593 57.572 56.100 -0.201 0.000 0.934 104 R CB -0.118 30.028 30.300 -0.257 0.000 0.846 104 R HN 0.189 nan 8.270 nan 0.000 0.431 105 Q N -0.748 118.832 119.800 -0.366 0.000 2.508 105 Q HA -0.069 4.272 4.340 0.002 0.000 0.214 105 Q C 1.133 177.030 176.000 -0.171 0.000 0.979 105 Q CA 1.157 56.698 55.803 -0.436 0.000 0.911 105 Q CB 0.075 28.214 28.738 -0.998 0.000 0.969 105 Q HN 0.735 nan 8.270 nan 0.000 0.504 106 G N 0.020 108.755 108.800 -0.108 0.000 2.155 106 G HA2 -0.317 3.644 3.960 0.002 0.000 0.257 106 G HA3 -0.317 3.644 3.960 0.002 0.000 0.257 106 G C 0.983 175.902 174.900 0.031 0.000 0.983 106 G CA 0.513 45.591 45.100 -0.036 0.000 0.676 106 G HN 0.330 nan 8.290 nan 0.000 0.528 107 V N 0.549 120.508 119.914 0.075 0.000 2.407 107 V HA -0.169 3.952 4.120 0.002 0.000 0.248 107 V C 2.916 179.140 176.094 0.217 0.000 1.055 107 V CA 2.244 64.668 62.300 0.207 0.000 1.049 107 V CB -0.443 31.527 31.823 0.246 0.000 0.662 107 V HN 0.541 nan 8.190 nan 0.000 0.455 108 L N -0.343 120.949 121.223 0.115 0.000 2.056 108 L HA -0.197 4.144 4.340 0.002 0.000 0.207 108 L C 2.550 179.476 176.870 0.093 0.000 1.078 108 L CA 1.893 56.794 54.840 0.103 0.000 0.749 108 L CB -0.589 41.499 42.059 0.050 0.000 0.901 108 L HN 0.374 nan 8.230 nan 0.000 0.433 109 E N 0.585 120.814 120.200 0.049 0.000 2.023 109 E HA -0.300 4.051 4.350 0.002 0.000 0.196 109 E C 2.102 178.696 176.600 -0.009 0.000 1.003 109 E CA 1.572 57.980 56.400 0.014 0.000 0.809 109 E CB -0.028 29.666 29.700 -0.010 0.000 0.755 109 E HN 0.356 nan 8.360 nan 0.000 0.449 110 E N -0.816 119.365 120.200 -0.032 0.000 2.136 110 E HA -0.236 4.115 4.350 0.002 0.000 0.202 110 E C 1.081 177.453 176.600 -0.380 0.000 1.019 110 E CA 1.582 57.857 56.400 -0.208 0.000 0.819 110 E CB -0.131 29.442 29.700 -0.213 0.000 0.739 110 E HN 0.327 nan 8.360 nan 0.000 0.458 111 F N -0.937 119.020 119.950 0.012 0.000 2.653 111 F HA 0.327 4.855 4.527 0.002 0.000 0.304 111 F C 1.182 176.987 175.800 0.008 0.000 1.092 111 F CA 0.327 58.333 58.000 0.010 0.000 1.279 111 F CB 1.141 40.146 39.000 0.009 0.000 1.044 111 F HN 0.120 nan 8.300 nan 0.000 0.564 112 G N 1.538 110.404 108.800 0.109 0.000 2.323 112 G HA2 -0.251 3.710 3.960 0.002 0.000 0.292 112 G HA3 -0.251 3.710 3.960 0.002 0.000 0.292 112 G C -0.209 174.741 174.900 0.084 0.000 1.040 112 G CA 0.110 45.253 45.100 0.072 0.000 0.942 112 G HN 0.163 nan 8.290 nan 0.000 0.506 113 V N 0.876 120.848 119.914 0.097 0.000 2.406 113 V HA 0.451 4.572 4.120 0.002 0.000 0.272 113 V C 0.915 177.036 176.094 0.046 0.000 1.043 113 V CA -0.060 62.283 62.300 0.071 0.000 0.915 113 V CB 1.427 33.291 31.823 0.069 0.000 0.988 113 V HN 0.370 nan 8.190 nan 0.000 0.466 114 T N 6.806 121.381 114.554 0.035 0.000 2.749 114 T HA 0.352 4.703 4.350 0.002 0.000 0.295 114 T C 0.019 174.728 174.700 0.015 0.000 0.936 114 T CA -0.176 61.938 62.100 0.023 0.000 1.060 114 T CB 0.653 69.534 68.868 0.022 0.000 0.904 114 T HN 0.639 nan 8.240 nan 0.000 0.500 115 M N 5.657 125.265 119.600 0.012 0.000 2.227 115 M HA 0.395 4.876 4.480 0.002 0.000 0.349 115 M C -0.433 175.869 176.300 0.004 0.000 1.443 115 M CA -0.088 55.216 55.300 0.008 0.000 1.110 115 M CB -0.113 32.493 32.600 0.010 0.000 1.773 115 M HN 0.635 nan 8.290 nan 0.000 0.463 116 I N 1.134 121.703 120.570 -0.003 0.000 2.957 116 I HA 0.935 5.106 4.170 0.002 0.000 0.310 116 I C 0.659 176.774 176.117 -0.003 0.000 1.063 116 I CA -0.335 60.962 61.300 -0.006 0.000 1.033 116 I CB 1.845 39.833 38.000 -0.021 0.000 1.230 116 I HN 0.816 nan 8.210 nan 0.000 0.447 117 G N 2.572 111.373 108.800 0.002 0.000 3.206 117 G HA2 -0.055 3.906 3.960 0.002 0.000 0.217 117 G HA3 -0.055 3.906 3.960 0.002 0.000 0.217 117 G C 0.119 175.029 174.900 0.017 0.000 1.350 117 G CA 0.314 45.421 45.100 0.011 0.000 0.836 117 G HN 1.737 nan 8.290 nan 0.000 0.548 118 A N -0.329 122.499 122.820 0.014 0.000 2.549 118 A HA 0.902 5.223 4.320 0.002 0.000 0.297 118 A C 0.047 177.641 177.584 0.016 0.000 1.061 118 A CA 0.957 53.004 52.037 0.017 0.000 0.690 118 A CB 1.133 20.144 19.000 0.018 0.000 1.287 118 A HN 1.927 nan 8.150 nan 0.000 0.402 119 T N -0.883 113.683 114.554 0.019 0.000 2.847 119 T HA 0.581 4.932 4.350 0.002 0.000 0.279 119 T C 1.386 176.101 174.700 0.026 0.000 0.984 119 T CA 0.247 62.359 62.100 0.019 0.000 0.988 119 T CB 1.304 70.183 68.868 0.018 0.000 1.040 119 T HN 1.701 nan 8.240 nan 0.000 0.528 120 A N 0.616 123.451 122.820 0.025 0.000 1.902 120 A HA -0.061 4.260 4.320 0.002 0.000 0.217 120 A C 2.022 179.634 177.584 0.048 0.000 1.181 120 A CA 2.093 54.150 52.037 0.034 0.000 0.623 120 A CB -1.326 17.685 19.000 0.019 0.000 0.818 120 A HN 1.007 nan 8.150 nan 0.000 0.443 121 D N -0.374 120.048 120.400 0.036 0.000 2.097 121 D HA -0.034 4.607 4.640 0.002 0.000 0.195 121 D C 2.110 178.437 176.300 0.045 0.000 0.989 121 D CA 1.694 55.718 54.000 0.040 0.000 0.827 121 D CB -0.249 40.567 40.800 0.026 0.000 0.966 121 D HN 0.332 nan 8.370 nan 0.000 0.456 122 A N 0.436 123.278 122.820 0.035 0.000 1.873 122 A HA -0.200 4.121 4.320 0.002 0.000 0.218 122 A C 2.477 180.082 177.584 0.034 0.000 1.193 122 A CA 1.812 53.869 52.037 0.033 0.000 0.629 122 A CB -1.090 17.926 19.000 0.027 0.000 0.826 122 A HN 0.398 nan 8.150 nan 0.000 0.447 123 I N -0.346 120.244 120.570 0.035 0.000 2.145 123 I HA -0.323 3.848 4.170 0.002 0.000 0.244 123 I C 2.323 178.451 176.117 0.018 0.000 1.075 123 I CA 2.174 63.489 61.300 0.024 0.000 1.332 123 I CB -0.505 37.530 38.000 0.057 0.000 1.033 123 I HN 0.474 nan 8.210 nan 0.000 0.410 124 D N 0.706 121.170 120.400 0.106 0.000 2.144 124 D HA -0.218 4.423 4.640 0.002 0.000 0.200 124 D C 2.177 178.519 176.300 0.072 0.000 0.978 124 D CA 1.173 55.281 54.000 0.180 0.000 0.833 124 D CB 0.012 40.940 40.800 0.214 0.000 0.961 124 D HN 0.085 nan 8.370 nan 0.000 0.470 125 K N -0.685 119.753 120.400 0.064 0.000 2.152 125 K HA -0.086 4.235 4.320 0.002 0.000 0.206 125 K C 1.711 178.381 176.600 0.116 0.000 1.048 125 K CA 1.236 57.567 56.287 0.073 0.000 0.933 125 K CB -0.030 32.505 32.500 0.058 0.000 0.721 125 K HN 0.193 nan 8.250 nan 0.000 0.447 126 A N 0.079 122.931 122.820 0.053 0.000 2.014 126 A HA 0.036 4.357 4.320 0.002 0.000 0.210 126 A C 1.585 179.037 177.584 -0.221 0.000 1.188 126 A CA 0.415 52.468 52.037 0.027 0.000 0.731 126 A CB 0.050 19.034 19.000 -0.026 0.000 0.858 126 A HN 0.156 nan 8.150 nan 0.000 0.464 127 E N 0.670 120.650 120.200 -0.367 0.000 2.230 127 E HA -0.047 4.304 4.350 0.002 0.000 0.192 127 E C -0.154 176.018 176.600 -0.712 0.000 0.987 127 E CA 0.233 56.142 56.400 -0.820 0.000 0.841 127 E CB -0.106 28.605 29.700 -1.649 0.000 0.783 127 E HN 0.544 nan 8.360 nan 0.000 0.481 128 D N 1.379 121.624 120.400 -0.258 0.000 2.336 128 D HA 0.010 4.651 4.640 0.002 0.000 0.249 128 D C 1.006 177.323 176.300 0.029 0.000 1.213 128 D CA -0.150 53.869 54.000 0.032 0.000 0.870 128 D CB 0.610 41.502 40.800 0.153 0.000 1.076 128 D HN -0.171 nan 8.370 nan 0.000 0.483 129 R N 3.500 124.008 120.500 0.013 0.000 2.117 129 R HA -0.179 4.162 4.340 0.002 0.000 0.243 129 R C 2.024 178.382 176.300 0.097 0.000 1.143 129 R CA 0.899 57.018 56.100 0.032 0.000 0.968 129 R CB -0.341 29.956 30.300 -0.005 0.000 0.863 129 R HN 0.532 nan 8.270 nan 0.000 0.444 130 R N 0.891 121.440 120.500 0.082 0.000 2.066 130 R HA -0.057 4.284 4.340 0.002 0.000 0.232 130 R C 2.404 178.749 176.300 0.075 0.000 1.131 130 R CA 1.290 57.431 56.100 0.069 0.000 0.955 130 R CB 0.001 30.343 30.300 0.070 0.000 0.851 130 R HN 0.159 nan 8.270 nan 0.000 0.432 131 R N -0.692 119.863 120.500 0.092 0.000 2.081 131 R HA -0.158 4.183 4.340 0.002 0.000 0.235 131 R C 2.191 178.532 176.300 0.069 0.000 1.131 131 R CA 1.585 57.729 56.100 0.074 0.000 0.960 131 R CB -0.487 29.862 30.300 0.080 0.000 0.856 131 R HN 0.223 nan 8.270 nan 0.000 0.436 132 F N 2.145 122.074 119.950 -0.036 0.000 2.126 132 F HA -0.240 4.288 4.527 0.002 0.000 0.299 132 F C 1.889 177.664 175.800 -0.042 0.000 1.096 132 F CA 1.994 59.963 58.000 -0.051 0.000 1.255 132 F CB -0.335 38.619 39.000 -0.076 0.000 0.997 132 F HN -0.031 nan 8.300 nan 0.000 0.479 133 D N -0.418 120.006 120.400 0.040 0.000 2.117 133 D HA -0.172 4.469 4.640 0.002 0.000 0.197 133 D C 2.214 178.451 176.300 -0.104 0.000 0.987 133 D CA 1.544 55.526 54.000 -0.030 0.000 0.829 133 D CB -0.150 40.679 40.800 0.048 0.000 0.961 133 D HN 0.180 nan 8.370 nan 0.000 0.460 134 V N 0.620 120.491 119.914 -0.072 0.000 2.295 134 V HA -0.224 3.897 4.120 0.002 0.000 0.246 134 V C 2.525 178.549 176.094 -0.117 0.000 1.049 134 V CA 1.786 64.044 62.300 -0.069 0.000 1.024 134 V CB -0.901 30.902 31.823 -0.033 0.000 0.648 134 V HN 0.340 nan 8.190 nan 0.000 0.447 135 A N -0.561 122.153 122.820 -0.177 0.000 1.933 135 A HA -0.214 4.107 4.320 0.002 0.000 0.218 135 A C 2.222 179.657 177.584 -0.248 0.000 1.175 135 A CA 1.962 53.874 52.037 -0.208 0.000 0.628 135 A CB -0.427 18.418 19.000 -0.258 0.000 0.814 135 A HN 0.413 nan 8.150 nan 0.000 0.444 136 M N -0.389 119.001 119.600 -0.350 0.000 2.099 136 M HA -0.109 4.372 4.480 0.002 0.000 0.262 136 M C 2.108 178.321 176.300 -0.144 0.000 1.067 136 M CA 2.103 57.232 55.300 -0.285 0.000 1.124 136 M CB -1.263 31.145 32.600 -0.320 0.000 1.353 136 M HN 0.562 nan 8.290 nan 0.000 0.410 137 K N 0.736 121.066 120.400 -0.116 0.000 2.103 137 K HA -0.193 4.128 4.320 0.002 0.000 0.207 137 K C 2.081 178.644 176.600 -0.061 0.000 1.048 137 K CA 1.512 57.759 56.287 -0.067 0.000 0.930 137 K CB -0.114 32.356 32.500 -0.051 0.000 0.716 137 K HN 0.203 nan 8.250 nan 0.000 0.444 138 K N 1.176 121.531 120.400 -0.075 0.000 2.209 138 K HA -0.119 4.202 4.320 0.002 0.000 0.204 138 K C 1.562 178.130 176.600 -0.053 0.000 1.048 138 K CA 1.565 57.817 56.287 -0.059 0.000 0.940 138 K CB -0.144 32.321 32.500 -0.059 0.000 0.729 138 K HN 0.498 nan 8.250 nan 0.000 0.451 139 I N -3.430 117.100 120.570 -0.066 0.000 3.904 139 I HA 0.356 4.527 4.170 0.002 0.000 0.333 139 I C 0.582 176.678 176.117 -0.034 0.000 1.361 139 I CA 0.099 61.370 61.300 -0.049 0.000 1.116 139 I CB 0.369 38.337 38.000 -0.053 0.000 1.028 139 I HN 0.146 nan 8.210 nan 0.000 0.398 140 G N 2.320 111.101 108.800 -0.033 0.000 2.221 140 G HA2 -0.243 3.718 3.960 0.002 0.000 0.265 140 G HA3 -0.243 3.718 3.960 0.002 0.000 0.265 140 G C -0.119 174.778 174.900 -0.006 0.000 1.041 140 G CA 0.261 45.350 45.100 -0.017 0.000 0.807 140 G HN 0.467 nan 8.290 nan 0.000 0.502 141 L N -0.226 120.989 121.223 -0.013 0.000 2.322 141 L HA 0.562 4.903 4.340 0.002 0.000 0.279 141 L C 0.702 177.584 176.870 0.020 0.000 1.036 141 L CA -0.834 54.017 54.840 0.019 0.000 0.807 141 L CB 1.631 43.708 42.059 0.031 0.000 1.226 141 L HN 0.301 nan 8.230 nan 0.000 0.433 142 E N 1.645 121.879 120.200 0.058 0.000 2.313 142 E HA 0.366 4.717 4.350 0.002 0.000 0.272 142 E C -0.899 175.739 176.600 0.065 0.000 1.038 142 E CA -0.443 55.991 56.400 0.057 0.000 0.863 142 E CB 1.320 31.069 29.700 0.081 0.000 1.060 142 E HN 0.667 nan 8.360 nan 0.000 0.402 143 T N 0.055 114.632 114.554 0.038 0.000 2.916 143 T HA 0.696 5.047 4.350 0.002 0.000 0.292 143 T C -0.096 174.606 174.700 0.004 0.000 1.055 143 T CA -0.827 61.291 62.100 0.031 0.000 1.009 143 T CB 1.562 70.447 68.868 0.028 0.000 1.118 143 T HN 0.533 nan 8.240 nan 0.000 0.497 144 A N 1.678 124.482 122.820 -0.028 0.000 2.448 144 A HA 0.443 4.764 4.320 0.002 0.000 0.239 144 A C 0.714 178.272 177.584 -0.044 0.000 1.080 144 A CA -0.471 51.525 52.037 -0.069 0.000 0.779 144 A CB -0.122 18.807 19.000 -0.118 0.000 1.026 144 A HN 0.960 nan 8.150 nan 0.000 0.499 145 R N 0.485 120.956 120.500 -0.049 0.000 2.484 145 R HA 0.295 4.636 4.340 0.002 0.000 0.293 145 R C 0.076 176.351 176.300 -0.041 0.000 1.023 145 R CA 0.995 57.072 56.100 -0.038 0.000 1.037 145 R CB 0.065 30.340 30.300 -0.041 0.000 0.951 145 R HN 1.005 nan 8.270 nan 0.000 0.418 146 S N 1.855 117.537 115.700 -0.030 0.000 2.790 146 S HA 0.841 5.312 4.470 0.002 0.000 0.292 146 S C -0.595 173.991 174.600 -0.024 0.000 1.197 146 S CA -0.517 57.667 58.200 -0.027 0.000 0.851 146 S CB 1.868 65.057 63.200 -0.018 0.000 1.217 146 S HN 0.713 nan 8.310 nan 0.000 0.526 147 G N -0.245 108.543 108.800 -0.020 0.000 2.703 147 G HA2 0.561 4.522 3.960 0.002 0.000 0.294 147 G HA3 0.561 4.522 3.960 0.002 0.000 0.294 147 G C -1.526 173.352 174.900 -0.037 0.000 1.451 147 G CA -0.784 44.301 45.100 -0.026 0.000 0.869 147 G HN 0.650 nan 8.290 nan 0.000 0.516 148 I N 0.753 121.283 120.570 -0.067 0.000 2.499 148 I HA 0.652 4.823 4.170 0.002 0.000 0.296 148 I C 0.542 176.537 176.117 -0.204 0.000 0.992 148 I CA -0.603 60.615 61.300 -0.138 0.000 1.297 148 I CB 1.556 39.456 38.000 -0.167 0.000 1.410 148 I HN 0.687 nan 8.210 nan 0.000 0.507 149 A N 4.389 127.047 122.820 -0.269 0.000 2.475 149 A HA 0.659 4.980 4.320 0.002 0.000 0.301 149 A C -0.603 176.797 177.584 -0.307 0.000 1.059 149 A CA -0.403 51.499 52.037 -0.226 0.000 0.710 149 A CB 1.014 19.988 19.000 -0.043 0.000 1.288 149 A HN 0.897 nan 8.150 nan 0.000 0.408 150 H N -0.164 118.923 119.070 0.028 0.000 3.398 150 H HA 0.277 4.834 4.556 0.002 0.000 0.260 150 H C 0.132 175.472 175.328 0.019 0.000 1.189 150 H CA 0.713 56.773 56.048 0.020 0.000 1.145 150 H CB 1.217 30.990 29.762 0.018 0.000 1.599 150 H HN 0.824 nan 8.280 nan 0.000 0.615 151 T N -3.258 111.372 114.554 0.126 0.000 2.821 151 T HA 0.151 4.502 4.350 0.002 0.000 0.306 151 T C 0.676 175.419 174.700 0.071 0.000 1.313 151 T CA -0.927 61.226 62.100 0.089 0.000 1.012 151 T CB 1.733 70.653 68.868 0.086 0.000 1.298 151 T HN -0.024 nan 8.240 nan 0.000 0.502 152 M N 0.834 120.474 119.600 0.067 0.000 2.279 152 M HA 0.064 4.545 4.480 0.002 0.000 0.264 152 M C 1.987 178.356 176.300 0.115 0.000 1.062 152 M CA 1.901 57.251 55.300 0.084 0.000 1.099 152 M CB -0.794 31.851 32.600 0.075 0.000 1.394 152 M HN 0.876 nan 8.290 nan 0.000 0.426 153 E N -0.201 120.051 120.200 0.087 0.000 2.028 153 E HA -0.213 4.138 4.350 0.002 0.000 0.191 153 E C 1.759 178.404 176.600 0.075 0.000 0.988 153 E CA 1.611 58.057 56.400 0.076 0.000 0.799 153 E CB -0.149 29.585 29.700 0.057 0.000 0.755 153 E HN 0.665 nan 8.360 nan 0.000 0.447 154 E N 0.343 120.585 120.200 0.069 0.000 2.110 154 E HA -0.198 4.153 4.350 0.002 0.000 0.193 154 E C 2.083 178.727 176.600 0.074 0.000 0.988 154 E CA 0.802 57.234 56.400 0.053 0.000 0.804 154 E CB -0.161 29.561 29.700 0.036 0.000 0.745 154 E HN 0.347 nan 8.360 nan 0.000 0.458 155 A N 1.594 124.487 122.820 0.121 0.000 1.865 155 A HA -0.186 4.135 4.320 0.002 0.000 0.217 155 A C 2.239 180.020 177.584 0.329 0.000 1.191 155 A CA 1.206 53.387 52.037 0.241 0.000 0.623 155 A CB -0.809 18.329 19.000 0.229 0.000 0.826 155 A HN 0.148 nan 8.150 nan 0.000 0.444 156 L N -0.830 120.561 121.223 0.279 0.000 2.187 156 L HA -0.234 4.107 4.340 0.002 0.000 0.213 156 L C 2.962 179.806 176.870 -0.043 0.000 1.100 156 L CA 1.004 55.912 54.840 0.113 0.000 0.765 156 L CB -0.379 41.753 42.059 0.121 0.000 0.904 156 L HN 0.473 nan 8.230 nan 0.000 0.437 157 A N -0.908 121.913 122.820 0.001 0.000 1.970 157 A HA -0.065 4.256 4.320 0.002 0.000 0.216 157 A C 2.271 179.813 177.584 -0.070 0.000 1.170 157 A CA 1.098 53.111 52.037 -0.039 0.000 0.645 157 A CB -0.465 18.527 19.000 -0.012 0.000 0.816 157 A HN 0.178 nan 8.150 nan 0.000 0.447 158 V N -0.098 119.791 119.914 -0.041 0.000 2.453 158 V HA -0.188 3.933 4.120 0.002 0.000 0.247 158 V C 3.020 179.023 176.094 -0.151 0.000 1.048 158 V CA 1.679 63.945 62.300 -0.056 0.000 1.049 158 V CB -1.093 30.736 31.823 0.011 0.000 0.672 158 V HN 0.578 nan 8.190 nan 0.000 0.457 159 A N 0.256 122.917 122.820 -0.265 0.000 1.940 159 A HA -0.140 4.181 4.320 0.002 0.000 0.219 159 A C 2.390 179.654 177.584 -0.533 0.000 1.176 159 A CA 2.037 53.725 52.037 -0.582 0.000 0.631 159 A CB -0.716 17.566 19.000 -1.197 0.000 0.814 159 A HN 0.575 nan 8.150 nan 0.000 0.446 160 A N -0.709 121.893 122.820 -0.363 0.000 2.067 160 A HA -0.125 4.196 4.320 0.002 0.000 0.219 160 A C 1.814 179.273 177.584 -0.208 0.000 1.158 160 A CA 2.011 53.885 52.037 -0.272 0.000 0.661 160 A CB -0.429 18.465 19.000 -0.177 0.000 0.801 160 A HN 0.505 nan 8.150 nan 0.000 0.452 161 D N -0.787 119.505 120.400 -0.179 0.000 2.216 161 D HA -0.070 4.571 4.640 0.002 0.000 0.208 161 D C 1.960 178.176 176.300 -0.139 0.000 0.960 161 D CA 1.694 55.616 54.000 -0.130 0.000 0.861 161 D CB 0.153 40.898 40.800 -0.091 0.000 0.985 161 D HN 0.338 nan 8.370 nan 0.000 0.493 162 V N -2.946 116.862 119.914 -0.176 0.000 3.125 162 V HA 0.452 4.573 4.120 0.002 0.000 0.249 162 V C 1.240 177.207 176.094 -0.213 0.000 1.113 162 V CA 0.694 62.897 62.300 -0.162 0.000 1.106 162 V CB -0.578 31.168 31.823 -0.128 0.000 0.768 162 V HN 0.264 nan 8.190 nan 0.000 0.468 163 G N 0.253 108.834 108.800 -0.365 0.000 2.860 163 G HA2 -0.211 3.750 3.960 0.002 0.000 0.553 163 G HA3 -0.211 3.750 3.960 0.002 0.000 0.553 163 G C -0.674 173.936 174.900 -0.483 0.000 1.439 163 G CA -0.052 44.754 45.100 -0.490 0.000 0.879 163 G HN 0.595 nan 8.290 nan 0.000 0.545 164 F N 1.246 121.148 119.950 -0.081 0.000 2.399 164 F HA 0.566 5.094 4.527 0.002 0.000 0.328 164 F C -0.883 174.906 175.800 -0.017 0.000 1.084 164 F CA -1.485 56.478 58.000 -0.061 0.000 1.053 164 F CB 1.466 40.451 39.000 -0.024 0.000 1.209 164 F HN 0.457 nan 8.300 nan 0.000 0.502 165 P HA 0.288 nan 4.420 nan 0.000 0.276 165 P C -1.191 176.150 177.300 0.069 0.000 1.244 165 P CA -0.570 62.599 63.100 0.115 0.000 0.801 165 P CB 0.905 32.463 31.700 -0.236 0.000 1.006 166 C N 0.302 119.672 119.300 0.117 0.000 2.889 166 C HA 0.770 5.231 4.460 0.002 0.000 0.307 166 C C -0.557 174.455 174.990 0.037 0.000 1.251 166 C CA -0.970 58.092 59.018 0.073 0.000 1.593 166 C CB 0.208 28.003 27.740 0.090 0.000 2.104 166 C HN 0.377 nan 8.230 nan 0.000 0.476 167 I N 2.376 122.952 120.570 0.010 0.000 2.321 167 I HA 0.504 4.675 4.170 0.002 0.000 0.291 167 I C -0.021 176.105 176.117 0.014 0.000 0.998 167 I CA -0.610 60.683 61.300 -0.012 0.000 1.227 167 I CB 1.072 39.045 38.000 -0.045 0.000 1.368 167 I HN 0.573 nan 8.210 nan 0.000 0.466 168 I N 6.954 127.525 120.570 0.001 0.000 2.354 168 I HA 0.497 4.668 4.170 0.002 0.000 0.292 168 I C -0.025 176.072 176.117 -0.033 0.000 0.989 168 I CA -0.438 60.851 61.300 -0.018 0.000 1.188 168 I CB 0.781 38.736 38.000 -0.076 0.000 1.342 168 I HN 0.383 nan 8.210 nan 0.000 0.457 169 R N 6.536 127.016 120.500 -0.033 0.000 2.473 169 R HA 0.421 4.762 4.340 0.002 0.000 0.303 169 R C -2.721 173.559 176.300 -0.034 0.000 1.002 169 R CA -1.820 54.258 56.100 -0.036 0.000 0.884 169 R CB 1.697 31.970 30.300 -0.046 0.000 1.173 169 R HN 0.227 nan 8.270 nan 0.000 0.464 170 P HA 0.053 nan 4.420 nan 0.000 0.272 170 P C -0.414 176.888 177.300 0.004 0.000 1.223 170 P CA -0.032 63.065 63.100 -0.005 0.000 0.784 170 P CB 0.835 32.536 31.700 0.001 0.000 0.923 171 S N 1.587 117.320 115.700 0.055 0.000 2.584 171 S HA 0.349 4.820 4.470 0.002 0.000 0.273 171 S C -0.036 174.677 174.600 0.187 0.000 1.311 171 S CA -0.104 58.142 58.200 0.078 0.000 1.034 171 S CB -0.715 62.596 63.200 0.184 0.000 0.939 171 S HN 0.437 nan 8.310 nan 0.000 0.513 172 F N 0.292 120.221 119.950 -0.036 0.000 3.058 172 F HA -0.229 4.299 4.527 0.002 0.000 0.295 172 F C 0.848 176.622 175.800 -0.043 0.000 0.875 172 F CA 0.843 58.819 58.000 -0.039 0.000 1.150 172 F CB -2.012 36.968 39.000 -0.033 0.000 1.175 172 F HN 0.659 nan 8.300 nan 0.000 0.599 173 T N -1.990 112.576 114.554 0.022 0.000 2.841 173 T HA 0.898 5.249 4.350 0.002 0.000 0.296 173 T C -0.276 174.404 174.700 -0.033 0.000 1.166 173 T CA -0.283 61.822 62.100 0.007 0.000 1.007 173 T CB 2.956 71.829 68.868 0.007 0.000 1.253 173 T HN 0.494 nan 8.240 nan 0.000 0.511 174 M N -0.678 118.909 119.600 -0.021 0.000 2.843 174 M HA 0.845 5.326 4.480 0.002 0.000 0.273 174 M C 0.824 177.117 176.300 -0.013 0.000 1.286 174 M CA 0.286 55.586 55.300 0.000 0.000 0.807 174 M CB 0.319 32.922 32.600 0.005 0.000 1.684 174 M HN 1.652 nan 8.290 nan 0.000 0.458 175 G N -0.716 108.087 108.800 0.005 0.000 2.180 175 G HA2 0.160 4.121 3.960 0.002 0.000 0.263 175 G HA3 0.160 4.121 3.960 0.002 0.000 0.263 175 G C 1.210 175.882 174.900 -0.381 0.000 0.989 175 G CA 1.010 45.944 45.100 -0.277 0.000 0.692 175 G HN 2.598 nan 8.290 nan 0.000 0.526 176 G N -1.534 107.212 108.800 -0.089 0.000 2.168 176 G HA2 -0.088 3.873 3.960 0.002 0.000 0.257 176 G HA3 -0.088 3.873 3.960 0.002 0.000 0.257 176 G C 0.503 175.367 174.900 -0.060 0.000 0.997 176 G CA 0.882 45.980 45.100 -0.004 0.000 0.708 176 G HN 1.771 nan 8.290 nan 0.000 0.520 177 S N 0.034 115.688 115.700 -0.077 0.000 2.515 177 S HA 0.430 4.901 4.470 0.002 0.000 0.285 177 S C 1.672 176.238 174.600 -0.056 0.000 1.265 177 S CA 1.216 59.370 58.200 -0.078 0.000 1.079 177 S CB 0.868 64.028 63.200 -0.067 0.000 0.877 177 S HN 2.092 nan 8.310 nan 0.000 0.493 178 G N 2.599 111.359 108.800 -0.066 0.000 2.179 178 G HA2 -0.185 3.776 3.960 0.002 0.000 0.260 178 G HA3 -0.185 3.776 3.960 0.002 0.000 0.260 178 G C 0.354 175.218 174.900 -0.060 0.000 0.977 178 G CA -0.036 45.029 45.100 -0.059 0.000 0.641 178 G HN 1.082 nan 8.290 nan 0.000 0.533 179 G N -1.330 107.440 108.800 -0.050 0.000 2.753 179 G HA2 1.006 4.967 3.960 0.002 0.000 0.285 179 G HA3 1.006 4.967 3.960 0.002 0.000 0.285 179 G C 0.270 175.148 174.900 -0.037 0.000 1.344 179 G CA 0.235 45.310 45.100 -0.043 0.000 1.050 179 G HN 1.703 nan 8.290 nan 0.000 0.532 180 G N -1.819 106.963 108.800 -0.029 0.000 2.317 180 G HA2 0.403 4.364 3.960 0.002 0.000 0.293 180 G HA3 0.403 4.364 3.960 0.002 0.000 0.293 180 G C -1.827 173.050 174.900 -0.037 0.000 1.287 180 G CA -0.847 44.241 45.100 -0.019 0.000 0.850 180 G HN 0.675 nan 8.290 nan 0.000 0.515 181 I N 1.277 121.812 120.570 -0.059 0.000 2.362 181 I HA 0.594 4.765 4.170 0.002 0.000 0.289 181 I C 0.539 176.507 176.117 -0.248 0.000 0.994 181 I CA -0.709 60.480 61.300 -0.185 0.000 1.158 181 I CB 1.924 39.745 38.000 -0.298 0.000 1.315 181 I HN 0.730 nan 8.210 nan 0.000 0.451 182 A N 5.679 128.398 122.820 -0.168 0.000 2.260 182 A HA 0.458 4.779 4.320 0.002 0.000 0.308 182 A C -0.390 176.989 177.584 -0.343 0.000 1.254 182 A CA -0.186 51.785 52.037 -0.109 0.000 0.874 182 A CB 0.073 19.251 19.000 0.298 0.000 1.153 182 A HN 0.745 nan 8.150 nan 0.000 0.527 183 Y N 1.664 121.842 120.300 -0.204 0.000 2.497 183 Y HA 0.089 4.639 4.550 0.002 0.000 0.265 183 Y C 0.918 176.474 175.900 -0.574 0.000 1.111 183 Y CA 0.762 58.726 58.100 -0.227 0.000 1.288 183 Y CB 0.236 38.629 38.460 -0.112 0.000 1.082 183 Y HN 0.893 nan 8.280 nan 0.000 0.536 184 N N -2.281 115.968 118.700 -0.752 0.000 2.972 184 N HA 0.219 4.960 4.740 0.002 0.000 0.262 184 N C 0.387 175.379 175.510 -0.863 0.000 1.478 184 N CA -0.982 51.539 53.050 -0.880 0.000 0.841 184 N CB 0.612 38.937 38.487 -0.270 0.000 1.512 184 N HN -0.201 nan 8.380 nan 0.000 0.548 185 R N -0.114 120.184 120.500 -0.337 0.000 2.066 185 R HA -0.103 4.238 4.340 0.002 0.000 0.232 185 R C 1.461 177.814 176.300 0.088 0.000 1.131 185 R CA 1.702 57.826 56.100 0.040 0.000 0.955 185 R CB -0.282 30.101 30.300 0.137 0.000 0.851 185 R HN 0.826 nan 8.270 nan 0.000 0.432 186 E N 0.650 120.860 120.200 0.018 0.000 2.035 186 E HA -0.264 4.087 4.350 0.002 0.000 0.204 186 E C 1.714 178.332 176.600 0.030 0.000 1.025 186 E CA 2.082 58.500 56.400 0.029 0.000 0.835 186 E CB -0.060 29.643 29.700 0.006 0.000 0.764 186 E HN 0.447 nan 8.360 nan 0.000 0.457 187 E N -0.376 119.820 120.200 -0.006 0.000 2.130 187 E HA -0.217 4.134 4.350 0.002 0.000 0.196 187 E C 1.959 178.575 176.600 0.027 0.000 0.998 187 E CA 1.196 57.594 56.400 -0.002 0.000 0.806 187 E CB -0.326 29.365 29.700 -0.015 0.000 0.738 187 E HN 0.352 nan 8.360 nan 0.000 0.459 188 F N 2.082 121.975 119.950 -0.095 0.000 2.095 188 F HA -0.218 4.309 4.527 0.001 0.000 0.298 188 F C 2.168 177.983 175.800 0.024 0.000 1.104 188 F CA 1.620 59.618 58.000 -0.003 0.000 1.232 188 F CB 0.125 39.200 39.000 0.124 0.000 0.987 188 F HN -0.062 nan 8.300 nan 0.000 0.475 189 E N -0.137 120.137 120.200 0.123 0.000 2.077 189 E HA -0.271 4.080 4.350 0.002 0.000 0.193 189 E C 2.129 178.692 176.600 -0.062 0.000 0.989 189 E CA 1.349 57.764 56.400 0.026 0.000 0.800 189 E CB -0.360 29.401 29.700 0.101 0.000 0.746 189 E HN 0.589 nan 8.360 nan 0.000 0.452 190 E N 1.003 121.179 120.200 -0.040 0.000 2.012 190 E HA -0.225 4.126 4.350 0.002 0.000 0.197 190 E C 2.176 178.716 176.600 -0.100 0.000 1.007 190 E CA 1.241 57.608 56.400 -0.055 0.000 0.816 190 E CB -0.108 29.572 29.700 -0.034 0.000 0.762 190 E HN 0.174 nan 8.360 nan 0.000 0.451 191 I N 0.581 121.074 120.570 -0.127 0.000 2.163 191 I HA -0.373 3.798 4.170 0.002 0.000 0.243 191 I C 2.737 178.736 176.117 -0.197 0.000 1.085 191 I CA 0.936 62.146 61.300 -0.149 0.000 1.347 191 I CB -0.329 37.578 38.000 -0.155 0.000 1.044 191 I HN 0.367 nan 8.210 nan 0.000 0.408 192 C N 0.592 119.701 119.300 -0.319 0.000 2.429 192 C HA -0.139 4.322 4.460 0.002 0.000 0.277 192 C C 3.212 178.101 174.990 -0.167 0.000 1.262 192 C CA 0.953 59.776 59.018 -0.325 0.000 1.733 192 C CB -1.200 26.209 27.740 -0.552 0.000 2.010 192 C HN 0.614 nan 8.230 nan 0.000 0.483 193 A N 0.442 123.187 122.820 -0.125 0.000 1.877 193 A HA -0.232 4.089 4.320 0.002 0.000 0.216 193 A C 2.224 179.769 177.584 -0.065 0.000 1.186 193 A CA 1.931 53.931 52.037 -0.062 0.000 0.620 193 A CB -0.649 18.329 19.000 -0.036 0.000 0.822 193 A HN 0.668 nan 8.150 nan 0.000 0.443 194 R N -0.583 119.864 120.500 -0.088 0.000 2.073 194 R HA -0.099 4.242 4.340 0.002 0.000 0.234 194 R C 2.192 178.450 176.300 -0.069 0.000 1.134 194 R CA 1.773 57.821 56.100 -0.086 0.000 0.952 194 R CB -0.719 29.524 30.300 -0.094 0.000 0.850 194 R HN 0.425 nan 8.270 nan 0.000 0.433 195 G N 0.592 109.346 108.800 -0.078 0.000 2.421 195 G HA2 -0.164 3.796 3.960 0.002 0.000 0.217 195 G HA3 -0.164 3.796 3.960 0.002 0.000 0.217 195 G C 1.433 176.314 174.900 -0.031 0.000 1.143 195 G CA 0.375 45.440 45.100 -0.058 0.000 0.784 195 G HN 0.233 nan 8.290 nan 0.000 0.541 196 L N 0.101 121.305 121.223 -0.031 0.000 2.046 196 L HA -0.048 4.293 4.340 0.002 0.000 0.208 196 L C 2.512 179.389 176.870 0.012 0.000 1.077 196 L CA 1.478 56.319 54.840 0.001 0.000 0.747 196 L CB -0.276 41.788 42.059 0.009 0.000 0.896 196 L HN 0.165 nan 8.230 nan 0.000 0.432 197 D N -0.265 120.137 120.400 0.003 0.000 2.117 197 D HA -0.216 4.425 4.640 0.002 0.000 0.197 197 D C 2.006 178.311 176.300 0.008 0.000 0.987 197 D CA 0.905 54.913 54.000 0.012 0.000 0.829 197 D CB 0.117 40.922 40.800 0.007 0.000 0.961 197 D HN 0.080 nan 8.370 nan 0.000 0.460 198 L N -0.016 121.205 121.223 -0.004 0.000 2.156 198 L HA 0.132 4.473 4.340 0.002 0.000 0.208 198 L C 0.742 177.618 176.870 0.011 0.000 1.095 198 L CA 0.690 55.528 54.840 -0.003 0.000 0.770 198 L CB -0.525 41.522 42.059 -0.020 0.000 0.914 198 L HN -0.142 nan 8.230 nan 0.000 0.439 199 S N 0.071 115.783 115.700 0.020 0.000 2.525 199 S HA 0.077 4.548 4.470 0.002 0.000 0.285 199 S C -1.388 173.230 174.600 0.030 0.000 1.283 199 S CA -0.937 57.291 58.200 0.047 0.000 1.072 199 S CB 0.557 63.795 63.200 0.064 0.000 0.867 199 S HN 0.128 nan 8.310 nan 0.000 0.492 200 P HA -0.043 nan 4.420 nan 0.000 0.219 200 P C 1.027 178.260 177.300 -0.113 0.000 1.146 200 P CA 1.153 64.215 63.100 -0.063 0.000 0.808 200 P CB -0.063 31.557 31.700 -0.133 0.000 0.779 201 T N -5.495 109.030 114.554 -0.049 0.000 3.129 201 T HA 0.196 4.547 4.350 0.002 0.000 0.267 201 T C 0.633 175.353 174.700 0.033 0.000 1.018 201 T CA -0.556 61.519 62.100 -0.042 0.000 0.903 201 T CB -0.513 68.349 68.868 -0.011 0.000 1.067 201 T HN -0.070 nan 8.240 nan 0.000 0.549 202 K N 1.053 121.481 120.400 0.046 0.000 3.451 202 K HA -0.203 4.118 4.320 0.002 0.000 0.273 202 K C -0.716 175.987 176.600 0.171 0.000 0.944 202 K CA 0.703 57.034 56.287 0.072 0.000 0.734 202 K CB -1.108 31.414 32.500 0.037 0.000 1.437 202 K HN 0.834 nan 8.250 nan 0.000 0.454 203 E N 1.024 121.322 120.200 0.164 0.000 2.321 203 E HA 0.427 4.778 4.350 0.002 0.000 0.278 203 E C -1.002 175.635 176.600 0.062 0.000 0.902 203 E CA -0.800 55.711 56.400 0.185 0.000 0.758 203 E CB 1.180 31.028 29.700 0.247 0.000 1.213 203 E HN 0.246 nan 8.360 nan 0.000 0.426 204 L N 3.295 124.512 121.223 -0.011 0.000 2.323 204 L HA 0.630 4.971 4.340 0.002 0.000 0.265 204 L C -0.940 175.902 176.870 -0.046 0.000 1.012 204 L CA -1.273 53.549 54.840 -0.030 0.000 0.820 204 L CB 1.691 43.721 42.059 -0.048 0.000 1.334 204 L HN 0.464 nan 8.230 nan 0.000 0.427 205 L N 2.261 123.467 121.223 -0.030 0.000 2.381 205 L HA 0.604 4.945 4.340 0.002 0.000 0.274 205 L C -1.105 175.760 176.870 -0.007 0.000 0.988 205 L CA 0.055 54.881 54.840 -0.023 0.000 0.824 205 L CB 1.605 43.654 42.059 -0.018 0.000 1.263 205 L HN 0.356 nan 8.230 nan 0.000 0.410 206 I N 4.217 124.794 120.570 0.012 0.000 2.389 206 I HA 0.454 4.625 4.170 0.002 0.000 0.288 206 I C -0.912 175.214 176.117 0.015 0.000 0.999 206 I CA -0.248 61.083 61.300 0.051 0.000 1.129 206 I CB 1.622 39.705 38.000 0.139 0.000 1.288 206 I HN 0.588 nan 8.210 nan 0.000 0.444 207 D N 4.057 124.458 120.400 0.002 0.000 2.419 207 D HA 0.352 4.993 4.640 0.002 0.000 0.234 207 D C -0.610 175.661 176.300 -0.048 0.000 1.014 207 D CA -0.781 53.199 54.000 -0.033 0.000 0.919 207 D CB 1.134 41.903 40.800 -0.052 0.000 1.366 207 D HN 0.571 nan 8.370 nan 0.000 0.490 208 E N -0.381 119.774 120.200 -0.074 0.000 2.371 208 E HA 0.292 4.643 4.350 0.002 0.000 0.257 208 E C -0.332 176.201 176.600 -0.112 0.000 1.134 208 E CA -0.733 55.614 56.400 -0.087 0.000 0.919 208 E CB 0.928 30.575 29.700 -0.088 0.000 1.025 208 E HN 0.181 nan 8.360 nan 0.000 0.438 209 S N 1.069 116.707 115.700 -0.102 0.000 2.564 209 S HA 0.158 4.629 4.470 0.002 0.000 0.278 209 S C 0.298 174.759 174.600 -0.231 0.000 1.333 209 S CA -0.542 57.583 58.200 -0.125 0.000 1.048 209 S CB 0.049 63.213 63.200 -0.059 0.000 0.900 209 S HN 0.552 nan 8.310 nan 0.000 0.505 210 L N 4.780 125.813 121.223 -0.317 0.000 3.333 210 L HA 0.406 4.747 4.340 0.002 0.000 0.299 210 L C -0.192 176.479 176.870 -0.333 0.000 1.256 210 L CA -0.272 54.174 54.840 -0.657 0.000 1.037 210 L CB 0.101 41.586 42.059 -0.958 0.000 1.423 210 L HN 0.586 nan 8.230 nan 0.000 0.605 211 I N 1.649 122.148 120.570 -0.118 0.000 2.821 211 I HA -0.051 4.120 4.170 0.002 0.000 0.294 211 I C 1.500 177.680 176.117 0.104 0.000 1.210 211 I CA 1.586 62.891 61.300 0.008 0.000 1.430 211 I CB 0.346 38.372 38.000 0.042 0.000 1.356 211 I HN 0.487 nan 8.210 nan 0.000 0.563 212 G N 4.485 113.368 108.800 0.138 0.000 2.232 212 G HA2 -0.219 3.742 3.960 0.002 0.000 0.226 212 G HA3 -0.219 3.742 3.960 0.002 0.000 0.226 212 G C -0.049 175.047 174.900 0.327 0.000 0.996 212 G CA -0.612 44.592 45.100 0.173 0.000 0.626 212 G HN 0.489 nan 8.290 nan 0.000 0.509 213 W N 1.931 123.262 121.300 0.052 0.000 2.034 213 W HA 0.608 5.269 4.660 0.002 0.000 0.357 213 W C 1.129 177.698 176.519 0.082 0.000 1.326 213 W CA -0.531 56.865 57.345 0.084 0.000 1.318 213 W CB 0.307 29.822 29.460 0.092 0.000 1.193 213 W HN 0.039 nan 8.180 nan 0.000 0.620 214 K N 1.257 121.854 120.400 0.328 0.000 2.237 214 K HA 0.162 4.483 4.320 0.002 0.000 0.270 214 K C -0.391 176.330 176.600 0.202 0.000 1.015 214 K CA -0.453 55.957 56.287 0.205 0.000 0.949 214 K CB 0.899 33.534 32.500 0.225 0.000 0.976 214 K HN 0.359 nan 8.250 nan 0.000 0.472 215 E N 2.338 122.533 120.200 -0.009 0.000 2.176 215 E HA 0.251 4.602 4.350 0.002 0.000 0.267 215 E C -1.594 174.897 176.600 -0.182 0.000 0.893 215 E CA -0.528 55.883 56.400 0.017 0.000 0.761 215 E CB 0.727 30.438 29.700 0.018 0.000 1.133 215 E HN 0.368 nan 8.360 nan 0.000 0.409 216 Y N 1.686 122.091 120.300 0.174 0.000 2.570 216 Y HA 0.437 4.988 4.550 0.002 0.000 0.345 216 Y C -0.290 175.730 175.900 0.201 0.000 1.014 216 Y CA -0.784 57.420 58.100 0.172 0.000 1.063 216 Y CB 2.289 40.840 38.460 0.152 0.000 1.272 216 Y HN 0.474 nan 8.280 nan 0.000 0.477 217 E N 1.867 122.267 120.200 0.334 0.000 2.393 217 E HA 0.685 5.036 4.350 0.002 0.000 0.273 217 E C -1.524 175.205 176.600 0.215 0.000 0.918 217 E CA -1.068 55.474 56.400 0.237 0.000 0.773 217 E CB 3.203 32.971 29.700 0.112 0.000 1.275 217 E HN 0.452 nan 8.360 nan 0.000 0.451 218 M N 1.436 121.141 119.600 0.176 0.000 2.324 218 M HA 0.263 4.744 4.480 0.002 0.000 0.288 218 M C -1.338 174.998 176.300 0.060 0.000 1.097 218 M CA -0.763 54.604 55.300 0.112 0.000 0.928 218 M CB 2.436 35.103 32.600 0.112 0.000 1.648 218 M HN 0.343 nan 8.290 nan 0.000 0.460 219 E N 3.320 123.532 120.200 0.021 0.000 2.081 219 E HA 0.433 4.784 4.350 0.002 0.000 0.281 219 E C -1.049 175.522 176.600 -0.048 0.000 0.986 219 E CA -0.251 56.144 56.400 -0.009 0.000 0.796 219 E CB 1.534 31.223 29.700 -0.018 0.000 1.085 219 E HN 0.364 nan 8.360 nan 0.000 0.398 220 V N 2.441 122.338 119.914 -0.028 0.000 2.667 220 V HA 0.500 4.621 4.120 0.002 0.000 0.308 220 V C 0.147 176.223 176.094 -0.030 0.000 1.048 220 V CA -0.964 61.314 62.300 -0.037 0.000 0.928 220 V CB 2.104 33.926 31.823 -0.002 0.000 1.004 220 V HN 0.308 nan 8.190 nan 0.000 0.444 221 V N 4.028 123.920 119.914 -0.038 0.000 2.577 221 V HA 0.599 4.720 4.120 0.002 0.000 0.303 221 V C -0.223 175.888 176.094 0.028 0.000 1.042 221 V CA -0.629 61.675 62.300 0.008 0.000 0.872 221 V CB 1.841 33.679 31.823 0.025 0.000 0.998 221 V HN 0.915 nan 8.190 nan 0.000 0.423 222 R N 2.737 123.263 120.500 0.043 0.000 2.686 222 R HA 0.624 4.965 4.340 0.002 0.000 0.286 222 R C -1.421 174.913 176.300 0.057 0.000 0.969 222 R CA -0.520 55.607 56.100 0.045 0.000 0.898 222 R CB 2.052 32.373 30.300 0.035 0.000 1.183 222 R HN 0.935 nan 8.270 nan 0.000 0.456 223 D N 1.679 122.115 120.400 0.061 0.000 2.392 223 D HA 0.111 4.752 4.640 0.002 0.000 0.246 223 D C 0.441 176.773 176.300 0.053 0.000 1.013 223 D CA -0.800 53.241 54.000 0.068 0.000 0.993 223 D CB 1.168 42.020 40.800 0.086 0.000 1.219 223 D HN 0.580 nan 8.370 nan 0.000 0.538 224 K N -0.081 120.350 120.400 0.052 0.000 2.280 224 K HA -0.093 4.228 4.320 0.002 0.000 0.202 224 K C 0.615 177.236 176.600 0.035 0.000 1.047 224 K CA 0.917 57.227 56.287 0.038 0.000 0.942 224 K CB -0.314 32.206 32.500 0.033 0.000 0.739 224 K HN 0.112 nan 8.250 nan 0.000 0.457 225 N N 0.966 119.691 118.700 0.042 0.000 2.461 225 N HA -0.073 4.668 4.740 0.002 0.000 0.188 225 N C -0.423 175.108 175.510 0.035 0.000 1.134 225 N CA 0.993 54.066 53.050 0.037 0.000 0.878 225 N CB 0.080 38.592 38.487 0.043 0.000 0.972 225 N HN 0.373 nan 8.380 nan 0.000 0.456 226 D N -1.337 119.085 120.400 0.036 0.000 2.954 226 D HA -0.148 4.493 4.640 0.002 0.000 0.200 226 D C -0.967 175.355 176.300 0.037 0.000 1.022 226 D CA 0.297 54.316 54.000 0.033 0.000 1.003 226 D CB -1.474 39.342 40.800 0.026 0.000 1.073 226 D HN 0.147 nan 8.370 nan 0.000 0.438 227 N N 0.484 119.212 118.700 0.046 0.000 2.492 227 N HA 0.286 5.027 4.740 0.002 0.000 0.262 227 N C -0.310 175.229 175.510 0.048 0.000 1.202 227 N CA 0.291 53.372 53.050 0.051 0.000 0.926 227 N CB 1.216 39.743 38.487 0.067 0.000 1.078 227 N HN 0.304 nan 8.380 nan 0.000 0.454 228 C N 3.601 122.925 119.300 0.039 0.000 2.535 228 C HA 0.708 5.169 4.460 0.002 0.000 0.319 228 C C -0.566 174.431 174.990 0.011 0.000 1.171 228 C CA -0.725 58.308 59.018 0.025 0.000 1.394 228 C CB -0.542 27.210 27.740 0.020 0.000 1.990 228 C HN 0.727 nan 8.230 nan 0.000 0.466 229 I N 3.450 124.010 120.570 -0.015 0.000 2.828 229 I HA 0.663 4.834 4.170 0.002 0.000 0.302 229 I C -1.023 175.031 176.117 -0.105 0.000 1.101 229 I CA -0.863 60.401 61.300 -0.059 0.000 1.031 229 I CB 1.678 39.619 38.000 -0.097 0.000 1.231 229 I HN 0.252 nan 8.210 nan 0.000 0.427 230 I N 5.040 125.547 120.570 -0.105 0.000 2.301 230 I HA 0.155 4.326 4.170 0.002 0.000 0.292 230 I C 1.076 177.070 176.117 -0.206 0.000 1.046 230 I CA -0.339 60.897 61.300 -0.106 0.000 1.282 230 I CB 1.244 39.225 38.000 -0.031 0.000 1.409 230 I HN 0.575 nan 8.210 nan 0.000 0.484 231 V N 5.121 124.857 119.914 -0.297 0.000 2.591 231 V HA -0.051 4.070 4.120 0.002 0.000 0.249 231 V C 0.777 176.728 176.094 -0.238 0.000 1.053 231 V CA 0.979 62.994 62.300 -0.475 0.000 1.068 231 V CB 0.264 31.677 31.823 -0.683 0.000 0.689 231 V HN 0.901 nan 8.190 nan 0.000 0.462 232 C N -0.400 118.834 119.300 -0.110 0.000 3.302 232 C HA 0.572 5.033 4.460 0.002 0.000 0.347 232 C C -0.404 174.612 174.990 0.043 0.000 1.218 232 C CA -0.363 58.644 59.018 -0.018 0.000 1.234 232 C CB 1.240 28.976 27.740 -0.007 0.000 1.551 232 C HN 0.468 nan 8.230 nan 0.000 0.501 233 S N 3.530 119.292 115.700 0.104 0.000 2.532 233 S HA 0.903 5.374 4.470 0.002 0.000 0.301 233 S C -1.084 173.613 174.600 0.162 0.000 1.083 233 S CA -0.587 57.705 58.200 0.155 0.000 1.025 233 S CB 1.349 64.714 63.200 0.275 0.000 1.056 233 S HN 0.734 nan 8.310 nan 0.000 0.494 234 I N 1.222 121.909 120.570 0.194 0.000 2.534 234 I HA 0.398 4.569 4.170 0.002 0.000 0.288 234 I C -0.515 175.710 176.117 0.181 0.000 1.077 234 I CA -0.340 61.058 61.300 0.163 0.000 1.051 234 I CB 2.192 40.258 38.000 0.110 0.000 1.234 234 I HN 0.790 nan 8.210 nan 0.000 0.425 235 E N 6.486 126.761 120.200 0.124 0.000 2.133 235 E HA 0.312 4.663 4.350 0.002 0.000 0.274 235 E C -0.763 175.818 176.600 -0.031 0.000 0.930 235 E CA -0.552 55.806 56.400 -0.070 0.000 0.770 235 E CB 0.975 30.709 29.700 0.056 0.000 1.104 235 E HN 0.543 nan 8.360 nan 0.000 0.403 236 N N 3.939 122.555 118.700 -0.140 0.000 2.530 236 N HA 0.027 4.768 4.740 0.002 0.000 0.273 236 N C 0.265 175.760 175.510 -0.024 0.000 1.173 236 N CA -0.107 52.919 53.050 -0.040 0.000 0.967 236 N CB 0.669 39.131 38.487 -0.043 0.000 1.109 236 N HN 0.524 nan 8.380 nan 0.000 0.453 237 F N 1.889 121.685 119.950 -0.257 0.000 2.118 237 F HA 0.004 4.532 4.527 0.002 0.000 0.293 237 F C 0.626 176.308 175.800 -0.197 0.000 1.102 237 F CA 0.871 58.570 58.000 -0.502 0.000 1.247 237 F CB 0.221 38.914 39.000 -0.512 0.000 1.017 237 F HN 0.394 nan 8.300 nan 0.000 0.475 238 D N 1.644 122.114 120.400 0.117 0.000 2.351 238 D HA 0.295 4.936 4.640 0.002 0.000 0.251 238 D C 0.340 176.647 176.300 0.011 0.000 1.137 238 D CA 0.340 54.377 54.000 0.062 0.000 0.879 238 D CB 1.347 42.247 40.800 0.168 0.000 1.181 238 D HN 0.310 nan 8.370 nan 0.000 0.448 239 A N 3.251 126.065 122.820 -0.009 0.000 2.292 239 A HA 0.222 4.543 4.320 0.002 0.000 0.265 239 A C 0.767 178.379 177.584 0.047 0.000 1.133 239 A CA -0.475 51.577 52.037 0.024 0.000 0.807 239 A CB 0.248 19.264 19.000 0.025 0.000 1.102 239 A HN 0.525 nan 8.150 nan 0.000 0.502 240 M N 0.020 119.666 119.600 0.076 0.000 2.251 240 M HA 0.253 4.734 4.480 0.002 0.000 0.343 240 M C 1.362 177.684 176.300 0.037 0.000 1.245 240 M CA 1.923 57.255 55.300 0.052 0.000 1.061 240 M CB -0.286 32.353 32.600 0.066 0.000 1.723 240 M HN 1.438 nan 8.290 nan 0.000 0.449 241 G N 3.573 112.387 108.800 0.024 0.000 2.284 241 G HA2 -0.146 3.815 3.960 0.002 0.000 0.201 241 G HA3 -0.146 3.815 3.960 0.002 0.000 0.201 241 G C 0.001 174.944 174.900 0.072 0.000 0.998 241 G CA -0.616 44.509 45.100 0.041 0.000 0.651 241 G HN 0.563 nan 8.290 nan 0.000 0.489 242 I N 2.394 123.010 120.570 0.077 0.000 2.411 242 I HA 0.330 4.501 4.170 0.002 0.000 0.284 242 I C 0.528 176.722 176.117 0.128 0.000 1.012 242 I CA -1.070 60.303 61.300 0.121 0.000 1.119 242 I CB 1.355 39.431 38.000 0.127 0.000 1.261 242 I HN 0.164 nan 8.210 nan 0.000 0.448 243 H N 5.071 124.186 119.070 0.075 0.000 3.092 243 H HA -0.079 4.478 4.556 0.002 0.000 0.332 243 H C 1.207 176.572 175.328 0.062 0.000 1.029 243 H CA 1.352 57.434 56.048 0.057 0.000 1.376 243 H CB 1.225 31.018 29.762 0.053 0.000 1.329 243 H HN 0.865 nan 8.280 nan 0.000 0.598 244 T N 0.867 115.278 114.554 -0.238 0.000 2.721 244 T HA -0.168 4.183 4.350 0.002 0.000 0.268 244 T C 2.132 176.950 174.700 0.195 0.000 1.038 244 T CA 1.271 63.360 62.100 -0.018 0.000 1.145 244 T CB -0.692 68.113 68.868 -0.105 0.000 0.858 244 T HN 0.629 nan 8.240 nan 0.000 0.459 245 G N 0.895 110.013 108.800 0.530 0.000 2.448 245 G HA2 -0.049 3.912 3.960 0.002 0.000 0.218 245 G HA3 -0.049 3.912 3.960 0.002 0.000 0.218 245 G C 1.027 176.011 174.900 0.139 0.000 1.135 245 G CA 0.651 45.903 45.100 0.253 0.000 0.784 245 G HN 0.502 nan 8.290 nan 0.000 0.543 246 D N -0.162 120.378 120.400 0.233 0.000 2.368 246 D HA 0.257 4.898 4.640 0.002 0.000 0.218 246 D C 0.529 177.015 176.300 0.310 0.000 1.112 246 D CA 0.042 54.214 54.000 0.287 0.000 0.834 246 D CB 0.671 41.716 40.800 0.408 0.000 0.953 246 D HN 0.063 nan 8.370 nan 0.000 0.505 247 S N -0.196 115.626 115.700 0.204 0.000 2.638 247 S HA 0.485 4.956 4.470 0.002 0.000 0.298 247 S C 0.276 174.941 174.600 0.110 0.000 1.111 247 S CA -0.659 57.643 58.200 0.169 0.000 1.027 247 S CB 1.711 64.985 63.200 0.123 0.000 1.064 247 S HN 0.034 nan 8.310 nan 0.000 0.525 248 I N 2.694 123.320 120.570 0.093 0.000 2.441 248 I HA 0.241 4.412 4.170 0.002 0.000 0.287 248 I C 0.640 176.763 176.117 0.010 0.000 1.049 248 I CA 0.193 61.472 61.300 -0.035 0.000 1.381 248 I CB 0.924 38.739 38.000 -0.310 0.000 1.409 248 I HN 0.649 nan 8.210 nan 0.000 0.523 249 T N 4.215 118.764 114.554 -0.008 0.000 2.906 249 T HA 0.799 5.150 4.350 0.002 0.000 0.295 249 T C -0.562 174.160 174.700 0.037 0.000 1.061 249 T CA -0.728 61.386 62.100 0.023 0.000 1.000 249 T CB 1.846 70.734 68.868 0.035 0.000 1.103 249 T HN 0.415 nan 8.240 nan 0.000 0.486 250 V N -1.310 118.658 119.914 0.090 0.000 3.040 250 V HA 1.042 5.163 4.120 0.002 0.000 0.312 250 V C -0.500 175.670 176.094 0.128 0.000 1.115 250 V CA -1.226 61.151 62.300 0.128 0.000 0.998 250 V CB 1.221 33.190 31.823 0.242 0.000 1.042 250 V HN 1.566 nan 8.190 nan 0.000 0.433 251 A N 3.278 126.164 122.820 0.111 0.000 2.414 251 A HA 1.044 5.365 4.320 0.002 0.000 0.306 251 A C -2.926 174.698 177.584 0.067 0.000 1.054 251 A CA -1.802 50.290 52.037 0.091 0.000 0.724 251 A CB 2.007 21.050 19.000 0.071 0.000 1.267 251 A HN 0.781 nan 8.150 nan 0.000 0.418 252 P HA 0.488 nan 4.420 nan 0.000 0.306 252 P C 0.163 177.519 177.300 0.093 0.000 1.309 252 P CA -0.190 62.944 63.100 0.056 0.000 0.759 252 P CB 0.640 32.336 31.700 -0.007 0.000 1.314 253 A N 0.342 123.259 122.820 0.162 0.000 2.507 253 A HA 0.043 4.364 4.320 0.002 0.000 0.235 253 A C 1.101 178.701 177.584 0.028 0.000 1.070 253 A CA 0.472 52.647 52.037 0.230 0.000 0.768 253 A CB -0.373 18.834 19.000 0.345 0.000 1.011 253 A HN 0.504 nan 8.150 nan 0.000 0.502 254 Q N -0.259 119.490 119.800 -0.085 0.000 2.471 254 Q HA 0.017 4.357 4.340 0.002 0.000 0.259 254 Q C 1.418 177.092 176.000 -0.543 0.000 0.850 254 Q CA 1.508 57.026 55.803 -0.474 0.000 0.981 254 Q CB -0.024 28.093 28.738 -1.035 0.000 1.180 254 Q HN 1.007 nan 8.270 nan 0.000 0.571 255 T N -1.629 112.725 114.554 -0.333 0.000 3.186 255 T HA 0.456 4.807 4.350 0.002 0.000 0.257 255 T C 0.526 175.167 174.700 -0.098 0.000 1.029 255 T CA -0.136 61.814 62.100 -0.251 0.000 0.916 255 T CB -0.288 68.461 68.868 -0.199 0.000 1.041 255 T HN -0.100 nan 8.240 nan 0.000 0.562 256 L N 2.688 123.858 121.223 -0.087 0.000 2.325 256 L HA 0.524 4.865 4.340 0.002 0.000 0.278 256 L C 0.867 177.681 176.870 -0.094 0.000 1.023 256 L CA -1.082 53.695 54.840 -0.105 0.000 0.811 256 L CB 1.778 43.748 42.059 -0.148 0.000 1.249 256 L HN 0.264 nan 8.230 nan 0.000 0.431 257 T N -2.815 111.687 114.554 -0.087 0.000 2.828 257 T HA 0.030 4.381 4.350 0.002 0.000 0.290 257 T C 0.725 175.391 174.700 -0.057 0.000 1.019 257 T CA -0.520 61.533 62.100 -0.078 0.000 1.031 257 T CB 1.213 70.040 68.868 -0.068 0.000 1.001 257 T HN 0.677 nan 8.240 nan 0.000 0.531 258 D N 0.126 120.486 120.400 -0.067 0.000 2.158 258 D HA -0.125 4.516 4.640 0.002 0.000 0.197 258 D C 1.984 178.280 176.300 -0.006 0.000 0.995 258 D CA 1.435 55.405 54.000 -0.051 0.000 0.846 258 D CB -0.053 40.705 40.800 -0.070 0.000 0.941 258 D HN 0.634 nan 8.370 nan 0.000 0.456 259 K N -0.205 120.178 120.400 -0.029 0.000 2.057 259 K HA -0.126 4.195 4.320 0.002 0.000 0.207 259 K C 2.119 178.691 176.600 -0.047 0.000 1.049 259 K CA 1.270 57.537 56.287 -0.033 0.000 0.931 259 K CB 0.005 32.480 32.500 -0.042 0.000 0.714 259 K HN 0.279 nan 8.250 nan 0.000 0.440 260 E N -0.530 119.632 120.200 -0.063 0.000 2.107 260 E HA -0.177 4.174 4.350 0.002 0.000 0.191 260 E C 1.731 178.243 176.600 -0.147 0.000 0.982 260 E CA 0.776 57.105 56.400 -0.119 0.000 0.809 260 E CB -0.095 29.514 29.700 -0.152 0.000 0.756 260 E HN 0.296 nan 8.360 nan 0.000 0.459 261 Y N 2.004 122.173 120.300 -0.219 0.000 2.181 261 Y HA -0.273 4.278 4.550 0.002 0.000 0.288 261 Y C 2.263 178.049 175.900 -0.190 0.000 1.146 261 Y CA 1.517 59.480 58.100 -0.229 0.000 1.164 261 Y CB 0.192 38.547 38.460 -0.175 0.000 0.982 261 Y HN -0.025 nan 8.280 nan 0.000 0.515 262 Q N 0.241 120.071 119.800 0.049 0.000 2.084 262 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 262 Q C 2.443 178.377 176.000 -0.109 0.000 0.978 262 Q CA 1.906 57.704 55.803 -0.008 0.000 0.844 262 Q CB -0.544 28.207 28.738 0.021 0.000 0.898 262 Q HN 0.616 nan 8.270 nan 0.000 0.426 263 I N 0.372 120.861 120.570 -0.134 0.000 2.226 263 I HA -0.279 3.892 4.170 0.002 0.000 0.245 263 I C 2.555 178.524 176.117 -0.246 0.000 1.100 263 I CA 1.081 62.289 61.300 -0.153 0.000 1.374 263 I CB -0.262 37.651 38.000 -0.145 0.000 1.057 263 I HN 0.208 nan 8.210 nan 0.000 0.413 264 M N 0.574 119.928 119.600 -0.410 0.000 2.132 264 M HA -0.234 4.247 4.480 0.002 0.000 0.263 264 M C 2.550 178.563 176.300 -0.478 0.000 1.065 264 M CA 1.689 56.588 55.300 -0.669 0.000 1.122 264 M CB -0.163 31.892 32.600 -0.909 0.000 1.365 264 M HN 0.061 nan 8.290 nan 0.000 0.411 265 R N 0.170 120.409 120.500 -0.435 0.000 2.081 265 R HA -0.159 4.182 4.340 0.002 0.000 0.235 265 R C 1.514 177.743 176.300 -0.119 0.000 1.131 265 R CA 2.404 58.339 56.100 -0.274 0.000 0.960 265 R CB -0.447 29.724 30.300 -0.216 0.000 0.856 265 R HN 0.573 nan 8.270 nan 0.000 0.436 266 N N -0.067 118.572 118.700 -0.103 0.000 2.142 266 N HA -0.117 4.624 4.740 0.002 0.000 0.186 266 N C 1.820 177.323 175.510 -0.011 0.000 1.023 266 N CA 0.902 53.925 53.050 -0.045 0.000 0.852 266 N CB -0.138 38.326 38.487 -0.039 0.000 0.998 266 N HN 0.290 nan 8.380 nan 0.000 0.424 267 A N 0.872 123.687 122.820 -0.008 0.000 1.883 267 A HA -0.150 4.171 4.320 0.002 0.000 0.217 267 A C 2.361 180.052 177.584 0.177 0.000 1.186 267 A CA 1.570 53.665 52.037 0.097 0.000 0.624 267 A CB -0.716 18.379 19.000 0.159 0.000 0.822 267 A HN 0.179 nan 8.150 nan 0.000 0.444 268 S N -0.425 115.403 115.700 0.213 0.000 2.359 268 S HA -0.198 4.273 4.470 0.002 0.000 0.224 268 S C 2.059 176.714 174.600 0.090 0.000 1.035 268 S CA 1.922 60.246 58.200 0.208 0.000 1.018 268 S CB -0.413 62.880 63.200 0.156 0.000 0.876 268 S HN 0.583 nan 8.310 nan 0.000 0.448 269 M N 0.822 120.451 119.600 0.049 0.000 2.132 269 M HA -0.063 4.418 4.480 0.002 0.000 0.263 269 M C 2.510 178.827 176.300 0.027 0.000 1.065 269 M CA 1.316 56.633 55.300 0.028 0.000 1.122 269 M CB -0.587 32.021 32.600 0.014 0.000 1.365 269 M HN 0.394 nan 8.290 nan 0.000 0.411 270 A N -0.017 122.820 122.820 0.028 0.000 1.933 270 A HA -0.100 4.221 4.320 0.002 0.000 0.218 270 A C 2.246 179.835 177.584 0.009 0.000 1.175 270 A CA 1.523 53.569 52.037 0.015 0.000 0.628 270 A CB -0.950 18.057 19.000 0.011 0.000 0.814 270 A HN 0.299 nan 8.150 nan 0.000 0.444 271 V N -0.509 119.420 119.914 0.025 0.000 2.343 271 V HA -0.238 3.883 4.120 0.002 0.000 0.247 271 V C 2.516 178.625 176.094 0.024 0.000 1.051 271 V CA 1.972 64.279 62.300 0.011 0.000 1.036 271 V CB -0.706 31.145 31.823 0.047 0.000 0.654 271 V HN 0.505 nan 8.190 nan 0.000 0.451 272 L N -0.522 120.721 121.223 0.034 0.000 2.046 272 L HA -0.137 4.204 4.340 0.002 0.000 0.208 272 L C 2.577 179.460 176.870 0.022 0.000 1.077 272 L CA 1.869 56.729 54.840 0.032 0.000 0.747 272 L CB -0.657 41.420 42.059 0.030 0.000 0.896 272 L HN 0.190 nan 8.230 nan 0.000 0.432 273 R N -0.906 119.603 120.500 0.015 0.000 2.081 273 R HA -0.211 4.130 4.340 0.002 0.000 0.235 273 R C 2.236 178.536 176.300 0.001 0.000 1.131 273 R CA 1.433 57.538 56.100 0.009 0.000 0.960 273 R CB -0.204 30.100 30.300 0.007 0.000 0.856 273 R HN 0.254 nan 8.270 nan 0.000 0.436 274 E N 0.732 120.925 120.200 -0.011 0.000 2.046 274 E HA -0.129 4.222 4.350 0.002 0.000 0.190 274 E C 1.559 178.148 176.600 -0.018 0.000 0.982 274 E CA 1.144 57.528 56.400 -0.027 0.000 0.800 274 E CB -0.092 29.572 29.700 -0.061 0.000 0.756 274 E HN 0.096 nan 8.360 nan 0.000 0.449 275 I N 0.018 120.586 120.570 -0.003 0.000 2.361 275 I HA 0.031 4.202 4.170 0.002 0.000 0.251 275 I C 1.717 177.847 176.117 0.022 0.000 1.133 275 I CA 1.594 62.907 61.300 0.022 0.000 1.413 275 I CB -0.394 37.645 38.000 0.065 0.000 1.073 275 I HN 0.405 nan 8.210 nan 0.000 0.424 276 G N -0.235 108.575 108.800 0.018 0.000 2.131 276 G HA2 -0.178 3.783 3.960 0.002 0.000 0.201 276 G HA3 -0.178 3.783 3.960 0.002 0.000 0.201 276 G C 0.213 175.126 174.900 0.021 0.000 1.000 276 G CA -0.030 45.080 45.100 0.017 0.000 0.680 276 G HN 0.129 nan 8.290 nan 0.000 0.514 277 V N 0.596 120.524 119.914 0.025 0.000 2.415 277 V HA 0.317 4.438 4.120 0.002 0.000 0.267 277 V C 1.210 177.320 176.094 0.027 0.000 1.042 277 V CA 1.048 63.364 62.300 0.026 0.000 1.000 277 V CB 1.186 33.026 31.823 0.028 0.000 1.015 277 V HN 0.518 nan 8.190 nan 0.000 0.478 278 E N 2.177 122.393 120.200 0.027 0.000 2.490 278 E HA 0.067 4.418 4.350 0.002 0.000 0.209 278 E C 0.677 177.298 176.600 0.036 0.000 0.971 278 E CA 0.486 56.903 56.400 0.029 0.000 0.988 278 E CB 0.793 30.508 29.700 0.025 0.000 1.029 278 E HN 0.836 nan 8.360 nan 0.000 0.496 279 T N -1.735 112.841 114.554 0.036 0.000 3.741 279 T HA 0.635 4.986 4.350 0.002 0.000 0.242 279 T C 0.060 174.789 174.700 0.048 0.000 1.042 279 T CA -0.293 61.834 62.100 0.044 0.000 1.278 279 T CB 0.914 69.805 68.868 0.037 0.000 0.994 279 T HN 0.136 nan 8.240 nan 0.000 0.594 280 G N -0.307 108.524 108.800 0.051 0.000 2.335 280 G HA2 0.627 4.588 3.960 0.002 0.000 0.291 280 G HA3 0.627 4.588 3.960 0.002 0.000 0.291 280 G C -0.614 174.319 174.900 0.054 0.000 1.261 280 G CA -0.178 44.956 45.100 0.056 0.000 0.871 280 G HN 0.612 nan 8.290 nan 0.000 0.491 281 G N -1.138 107.695 108.800 0.054 0.000 2.552 281 G HA2 0.716 4.677 3.960 0.002 0.000 0.324 281 G HA3 0.716 4.677 3.960 0.002 0.000 0.324 281 G C -0.613 174.308 174.900 0.036 0.000 1.217 281 G CA 0.176 45.303 45.100 0.044 0.000 0.989 281 G HN 1.355 nan 8.290 nan 0.000 0.490 282 S N -0.748 114.968 115.700 0.026 0.000 2.547 282 S HA 0.331 4.802 4.470 0.002 0.000 0.270 282 S C -1.085 173.523 174.600 0.014 0.000 1.150 282 S CA -0.937 57.275 58.200 0.020 0.000 0.850 282 S CB 1.839 65.049 63.200 0.016 0.000 1.118 282 S HN 0.752 nan 8.310 nan 0.000 0.461 283 N N 1.627 120.331 118.700 0.006 0.000 2.425 283 N HA 0.475 5.216 4.740 0.002 0.000 0.268 283 N C -1.424 174.064 175.510 -0.037 0.000 0.991 283 N CA -0.194 52.855 53.050 -0.000 0.000 0.931 283 N CB 1.085 39.576 38.487 0.007 0.000 1.130 283 N HN 0.383 nan 8.380 nan 0.000 0.493 284 V N 3.395 123.288 119.914 -0.035 0.000 2.448 284 V HA 0.340 4.461 4.120 0.002 0.000 0.295 284 V C -0.021 175.938 176.094 -0.225 0.000 1.025 284 V CA -0.762 61.456 62.300 -0.137 0.000 0.859 284 V CB 1.597 33.367 31.823 -0.087 0.000 0.988 284 V HN 0.637 nan 8.190 nan 0.000 0.431 285 Q N 2.901 122.477 119.800 -0.373 0.000 2.266 285 Q HA 0.768 5.109 4.340 0.002 0.000 0.261 285 Q C -1.592 174.066 176.000 -0.569 0.000 0.985 285 Q CA -0.347 55.282 55.803 -0.291 0.000 0.873 285 Q CB 2.479 31.105 28.738 -0.186 0.000 1.306 285 Q HN 0.666 nan 8.270 nan 0.000 0.447 286 F N -0.348 119.661 119.950 0.098 0.000 2.664 286 F HA 0.744 5.272 4.527 0.002 0.000 0.317 286 F C -0.613 175.302 175.800 0.192 0.000 1.108 286 F CA -1.082 56.998 58.000 0.133 0.000 0.957 286 F CB 1.668 40.748 39.000 0.133 0.000 1.365 286 F HN 0.508 nan 8.300 nan 0.000 0.475 287 A N 0.890 123.993 122.820 0.470 0.000 2.371 287 A HA 0.873 5.194 4.320 0.002 0.000 0.311 287 A C -1.774 176.167 177.584 0.595 0.000 1.068 287 A CA -0.726 51.600 52.037 0.480 0.000 0.744 287 A CB 1.524 20.741 19.000 0.361 0.000 1.239 287 A HN 0.527 nan 8.150 nan 0.000 0.435 288 V N 2.617 122.868 119.914 0.562 0.000 2.588 288 V HA 0.338 4.459 4.120 0.002 0.000 0.304 288 V C -0.447 175.620 176.094 -0.045 0.000 1.042 288 V CA -0.961 61.505 62.300 0.277 0.000 0.877 288 V CB 1.998 33.937 31.823 0.193 0.000 0.996 288 V HN 0.908 nan 8.190 nan 0.000 0.425 289 N N 6.639 124.951 118.700 -0.647 0.000 2.408 289 N HA 0.280 5.021 4.740 0.002 0.000 0.257 289 N C -1.565 173.654 175.510 -0.486 0.000 1.064 289 N CA -1.975 50.353 53.050 -1.204 0.000 0.952 289 N CB 2.015 39.548 38.487 -1.590 0.000 1.093 289 N HN 0.278 nan 8.380 nan 0.000 0.490 290 P HA -0.110 nan 4.420 nan 0.000 0.220 290 P C 0.615 177.838 177.300 -0.128 0.000 1.148 290 P CA 1.295 64.326 63.100 -0.116 0.000 0.803 290 P CB 0.450 32.153 31.700 0.004 0.000 0.782 291 K N -0.382 119.912 120.400 -0.178 0.000 2.288 291 K HA -0.057 4.264 4.320 0.002 0.000 0.201 291 K C 0.719 177.243 176.600 -0.126 0.000 1.048 291 K CA 1.381 57.590 56.287 -0.130 0.000 0.956 291 K CB -0.164 32.269 32.500 -0.112 0.000 0.746 291 K HN 0.294 nan 8.250 nan 0.000 0.461 292 N N -2.689 115.910 118.700 -0.167 0.000 2.073 292 N HA 0.071 4.812 4.740 0.002 0.000 0.227 292 N C 0.558 175.992 175.510 -0.127 0.000 1.367 292 N CA 0.338 53.313 53.050 -0.126 0.000 0.775 292 N CB 0.602 39.023 38.487 -0.111 0.000 1.234 292 N HN 0.054 nan 8.380 nan 0.000 0.512 293 G N 0.978 109.688 108.800 -0.151 0.000 2.184 293 G HA2 -0.407 3.554 3.960 0.002 0.000 0.264 293 G HA3 -0.407 3.554 3.960 0.002 0.000 0.264 293 G C 0.056 174.886 174.900 -0.116 0.000 0.975 293 G CA 0.295 45.319 45.100 -0.126 0.000 0.642 293 G HN 0.641 nan 8.290 nan 0.000 0.536 294 R N 0.127 120.541 120.500 -0.143 0.000 2.486 294 R HA 0.290 4.631 4.340 0.002 0.000 0.303 294 R C -0.080 176.250 176.300 0.049 0.000 0.958 294 R CA -0.190 55.876 56.100 -0.056 0.000 1.077 294 R CB -0.043 30.234 30.300 -0.039 0.000 0.921 294 R HN 0.337 nan 8.270 nan 0.000 0.406 295 L N 6.943 128.222 121.223 0.094 0.000 2.264 295 L HA 0.440 4.781 4.340 0.002 0.000 0.289 295 L C -0.734 176.291 176.870 0.258 0.000 1.044 295 L CA -0.125 54.809 54.840 0.157 0.000 0.807 295 L CB 1.119 43.189 42.059 0.019 0.000 1.192 295 L HN 0.571 nan 8.230 nan 0.000 0.425 296 I N 5.490 126.278 120.570 0.363 0.000 2.465 296 I HA 0.344 4.515 4.170 0.002 0.000 0.291 296 I C -0.718 175.590 176.117 0.319 0.000 1.014 296 I CA -1.078 60.401 61.300 0.299 0.000 1.093 296 I CB 2.159 40.299 38.000 0.234 0.000 1.267 296 I HN 0.236 nan 8.210 nan 0.000 0.431 297 V N 6.301 126.338 119.914 0.205 0.000 2.432 297 V HA 0.207 4.327 4.120 0.002 0.000 0.271 297 V C 0.997 177.120 176.094 0.048 0.000 1.046 297 V CA -0.333 62.000 62.300 0.053 0.000 0.945 297 V CB 1.242 33.089 31.823 0.040 0.000 0.992 297 V HN 0.575 nan 8.190 nan 0.000 0.471 298 I N 2.916 123.449 120.570 -0.061 0.000 2.512 298 I HA 0.219 4.390 4.170 0.002 0.000 0.247 298 I C 0.988 177.022 176.117 -0.138 0.000 1.094 298 I CA 0.996 62.259 61.300 -0.062 0.000 1.427 298 I CB -0.180 37.763 38.000 -0.095 0.000 1.149 298 I HN 1.009 nan 8.210 nan 0.000 0.438 299 E N 0.938 120.972 120.200 -0.275 0.000 2.432 299 E HA 0.490 4.841 4.350 0.002 0.000 0.279 299 E C -0.921 175.369 176.600 -0.517 0.000 1.099 299 E CA -0.903 55.113 56.400 -0.640 0.000 0.859 299 E CB 1.713 31.100 29.700 -0.521 0.000 1.402 299 E HN 0.029 nan 8.360 nan 0.000 0.451 300 M N 1.089 120.281 119.600 -0.680 0.000 2.322 300 M HA 0.566 5.047 4.480 0.002 0.000 0.286 300 M C -2.139 174.008 176.300 -0.256 0.000 1.111 300 M CA -0.433 54.686 55.300 -0.301 0.000 0.941 300 M CB 2.358 34.943 32.600 -0.025 0.000 1.671 300 M HN 0.378 nan 8.290 nan 0.000 0.470 301 N N 4.861 123.476 118.700 -0.141 0.000 2.501 301 N HA 0.361 5.102 4.740 0.002 0.000 0.245 301 N C -2.568 172.914 175.510 -0.046 0.000 0.974 301 N CA -1.229 51.761 53.050 -0.099 0.000 0.941 301 N CB 1.472 39.924 38.487 -0.059 0.000 1.122 301 N HN 0.569 nan 8.380 nan 0.000 0.507 302 P HA 0.020 nan 4.420 nan 0.000 0.249 302 P C -0.371 176.930 177.300 0.001 0.000 1.686 302 P CA 0.392 63.482 63.100 -0.016 0.000 0.873 302 P CB -0.136 31.550 31.700 -0.024 0.000 1.828 303 R N -2.199 118.312 120.500 0.018 0.000 2.921 303 R HA 0.530 4.871 4.340 0.002 0.000 0.268 303 R C -0.637 175.715 176.300 0.087 0.000 1.008 303 R CA -1.084 55.042 56.100 0.044 0.000 0.876 303 R CB 0.023 30.341 30.300 0.029 0.000 1.395 303 R HN -0.161 nan 8.270 nan 0.000 0.443 304 V N -0.343 119.652 119.914 0.135 0.000 3.083 304 V HA 0.772 4.893 4.120 0.002 0.000 0.306 304 V C 0.072 176.345 176.094 0.298 0.000 1.077 304 V CA 0.198 62.610 62.300 0.187 0.000 1.073 304 V CB 1.152 33.088 31.823 0.188 0.000 1.081 304 V HN 1.015 nan 8.190 nan 0.000 0.474 305 S N 1.960 117.798 115.700 0.230 0.000 2.790 305 S HA 0.459 4.930 4.470 0.002 0.000 0.292 305 S C 0.645 175.240 174.600 -0.008 0.000 1.197 305 S CA -0.502 57.830 58.200 0.219 0.000 0.851 305 S CB 1.506 64.797 63.200 0.152 0.000 1.217 305 S HN 1.089 nan 8.310 nan 0.000 0.526 306 R N 0.311 120.790 120.500 -0.035 0.000 2.148 306 R HA 0.093 4.434 4.340 0.002 0.000 0.227 306 R C 1.447 177.738 176.300 -0.016 0.000 1.103 306 R CA 1.717 57.761 56.100 -0.095 0.000 0.983 306 R CB -0.786 29.474 30.300 -0.068 0.000 0.874 306 R HN 0.412 nan 8.270 nan 0.000 0.451 307 S N 1.029 116.747 115.700 0.030 0.000 2.414 307 S HA -0.092 4.379 4.470 0.002 0.000 0.227 307 S C 1.964 176.596 174.600 0.053 0.000 1.022 307 S CA 1.177 59.402 58.200 0.041 0.000 0.958 307 S CB 0.077 63.304 63.200 0.046 0.000 0.797 307 S HN 0.647 nan 8.310 nan 0.000 0.493 308 S N 1.881 117.622 115.700 0.068 0.000 2.428 308 S HA 0.116 4.587 4.470 0.002 0.000 0.230 308 S C 1.957 176.639 174.600 0.137 0.000 1.014 308 S CA 0.801 59.058 58.200 0.094 0.000 0.957 308 S CB -0.324 62.938 63.200 0.103 0.000 0.784 308 S HN 0.437 nan 8.310 nan 0.000 0.499 309 A N 1.973 124.864 122.820 0.118 0.000 1.873 309 A HA 0.147 4.468 4.320 0.002 0.000 0.215 309 A C 2.225 179.838 177.584 0.049 0.000 1.186 309 A CA 1.438 53.562 52.037 0.144 0.000 0.616 309 A CB -0.984 18.028 19.000 0.019 0.000 0.823 309 A HN 0.591 nan 8.150 nan 0.000 0.442 310 L N -0.004 121.234 121.223 0.024 0.000 2.012 310 L HA -0.112 4.229 4.340 0.002 0.000 0.210 310 L C 2.620 179.519 176.870 0.047 0.000 1.073 310 L CA 2.442 57.293 54.840 0.019 0.000 0.748 310 L CB -0.741 41.328 42.059 0.017 0.000 0.891 310 L HN 0.332 nan 8.230 nan 0.000 0.431 311 A N -1.230 121.631 122.820 0.068 0.000 1.940 311 A HA -0.209 4.112 4.320 0.002 0.000 0.219 311 A C 2.365 180.029 177.584 0.134 0.000 1.176 311 A CA 2.102 54.186 52.037 0.079 0.000 0.631 311 A CB -1.016 18.017 19.000 0.055 0.000 0.814 311 A HN 0.590 nan 8.150 nan 0.000 0.446 312 S N -0.050 115.761 115.700 0.186 0.000 2.368 312 S HA -0.131 4.340 4.470 0.002 0.000 0.225 312 S C 2.015 176.790 174.600 0.293 0.000 1.030 312 S CA 1.413 59.790 58.200 0.294 0.000 0.999 312 S CB -0.182 63.252 63.200 0.391 0.000 0.844 312 S HN 0.515 nan 8.310 nan 0.000 0.459 313 K N 2.023 122.531 120.400 0.179 0.000 2.026 313 K HA 0.111 4.432 4.320 0.002 0.000 0.208 313 K C 2.374 179.062 176.600 0.147 0.000 1.048 313 K CA 1.286 57.673 56.287 0.166 0.000 0.929 313 K CB -1.002 31.502 32.500 0.007 0.000 0.713 313 K HN 0.360 nan 8.250 nan 0.000 0.439 314 A N 1.308 124.169 122.820 0.069 0.000 1.883 314 A HA -0.161 4.160 4.320 0.002 0.000 0.217 314 A C 2.259 179.960 177.584 0.195 0.000 1.186 314 A CA 2.728 54.807 52.037 0.071 0.000 0.624 314 A CB -0.867 18.174 19.000 0.069 0.000 0.822 314 A HN 0.523 nan 8.150 nan 0.000 0.444 315 T N -5.374 109.310 114.554 0.216 0.000 3.037 315 T HA 0.426 4.777 4.350 0.002 0.000 0.251 315 T C 1.473 176.372 174.700 0.332 0.000 1.079 315 T CA 1.066 63.315 62.100 0.249 0.000 1.067 315 T CB 0.376 69.361 68.868 0.194 0.000 0.948 315 T HN 1.737 nan 8.240 nan 0.000 0.496 316 G N 1.190 110.236 108.800 0.410 0.000 2.176 316 G HA2 -0.236 3.724 3.960 0.002 0.000 0.253 316 G HA3 -0.236 3.724 3.960 0.002 0.000 0.253 316 G C -0.182 175.003 174.900 0.476 0.000 0.979 316 G CA 0.008 45.391 45.100 0.471 0.000 0.641 316 G HN 0.628 nan 8.290 nan 0.000 0.530 317 F N 3.858 123.980 119.950 0.287 0.000 2.390 317 F HA 0.584 5.112 4.527 0.002 0.000 0.361 317 F C -1.844 174.102 175.800 0.243 0.000 1.124 317 F CA -3.139 55.006 58.000 0.241 0.000 1.149 317 F CB 1.471 40.543 39.000 0.120 0.000 1.160 317 F HN -0.067 nan 8.300 nan 0.000 0.501 318 P HA 0.098 nan 4.420 nan 0.000 0.249 318 P C 1.268 178.723 177.300 0.258 0.000 1.737 318 P CA 0.366 63.618 63.100 0.253 0.000 1.128 318 P CB -0.089 31.688 31.700 0.128 0.000 1.942 319 I N 1.897 122.733 120.570 0.443 0.000 2.087 319 I HA -0.357 3.814 4.170 0.002 0.000 0.240 319 I C 2.354 178.584 176.117 0.188 0.000 1.054 319 I CA 2.061 63.592 61.300 0.385 0.000 1.311 319 I CB -0.887 37.265 38.000 0.254 0.000 1.024 319 I HN 0.190 nan 8.210 nan 0.000 0.402 320 A N 0.415 123.285 122.820 0.083 0.000 1.940 320 A HA -0.255 4.066 4.320 0.002 0.000 0.219 320 A C 2.322 179.894 177.584 -0.021 0.000 1.176 320 A CA 1.886 53.921 52.037 -0.002 0.000 0.631 320 A CB -0.511 18.417 19.000 -0.121 0.000 0.814 320 A HN 0.368 nan 8.150 nan 0.000 0.446 321 K N -0.744 119.634 120.400 -0.037 0.000 2.057 321 K HA -0.045 4.276 4.320 0.002 0.000 0.206 321 K C 1.881 178.466 176.600 -0.026 0.000 1.050 321 K CA 1.370 57.628 56.287 -0.049 0.000 0.935 321 K CB -0.256 32.209 32.500 -0.059 0.000 0.715 321 K HN 0.296 nan 8.250 nan 0.000 0.439 322 V N 1.011 120.930 119.914 0.009 0.000 2.358 322 V HA -0.221 3.900 4.120 0.002 0.000 0.246 322 V C 2.243 178.375 176.094 0.064 0.000 1.047 322 V CA 1.968 64.285 62.300 0.029 0.000 1.035 322 V CB -0.506 31.362 31.823 0.074 0.000 0.658 322 V HN 0.363 nan 8.190 nan 0.000 0.452 323 A N 0.049 122.919 122.820 0.084 0.000 1.908 323 A HA -0.147 4.174 4.320 0.002 0.000 0.218 323 A C 2.408 180.018 177.584 0.043 0.000 1.181 323 A CA 2.133 54.214 52.037 0.073 0.000 0.627 323 A CB -0.752 18.291 19.000 0.072 0.000 0.818 323 A HN 0.572 nan 8.150 nan 0.000 0.445 324 A N -0.326 122.505 122.820 0.018 0.000 1.933 324 A HA -0.139 4.182 4.320 0.002 0.000 0.218 324 A C 2.097 179.687 177.584 0.009 0.000 1.175 324 A CA 1.712 53.746 52.037 -0.005 0.000 0.628 324 A CB -0.370 18.615 19.000 -0.024 0.000 0.814 324 A HN 0.541 nan 8.150 nan 0.000 0.444 325 K N -0.943 119.470 120.400 0.021 0.000 2.217 325 K HA 0.003 4.324 4.320 0.002 0.000 0.202 325 K C 1.522 178.245 176.600 0.204 0.000 1.051 325 K CA 0.736 57.068 56.287 0.074 0.000 0.952 325 K CB -0.193 32.225 32.500 -0.136 0.000 0.736 325 K HN 0.287 nan 8.250 nan 0.000 0.453 326 L N 0.701 122.002 121.223 0.129 0.000 2.109 326 L HA -0.021 4.320 4.340 0.002 0.000 0.207 326 L C 2.291 179.218 176.870 0.095 0.000 1.086 326 L CA 1.334 56.257 54.840 0.138 0.000 0.760 326 L CB -0.946 41.176 42.059 0.106 0.000 0.910 326 L HN 0.082 nan 8.230 nan 0.000 0.437 327 A N -0.377 122.477 122.820 0.057 0.000 1.986 327 A HA -0.146 4.175 4.320 0.002 0.000 0.220 327 A C 1.651 179.232 177.584 -0.006 0.000 1.171 327 A CA 1.726 53.772 52.037 0.015 0.000 0.640 327 A CB -0.870 18.122 19.000 -0.013 0.000 0.811 327 A HN 0.316 nan 8.150 nan 0.000 0.451 328 V N -4.025 115.898 119.914 0.015 0.000 3.023 328 V HA 0.616 4.737 4.120 0.002 0.000 0.384 328 V C 1.019 177.113 176.094 -0.000 0.000 1.289 328 V CA 0.429 62.718 62.300 -0.019 0.000 1.383 328 V CB -1.012 30.712 31.823 -0.165 0.000 1.388 328 V HN 1.438 nan 8.190 nan 0.000 0.551 329 G N -0.032 108.771 108.800 0.005 0.000 2.267 329 G HA2 -0.342 3.619 3.960 0.002 0.000 0.257 329 G HA3 -0.342 3.619 3.960 0.002 0.000 0.257 329 G C 0.013 174.880 174.900 -0.054 0.000 0.998 329 G CA 0.433 45.504 45.100 -0.048 0.000 0.620 329 G HN 0.655 nan 8.290 nan 0.000 0.529 330 Y N 2.390 122.717 120.300 0.045 0.000 2.550 330 Y HA 0.392 4.943 4.550 0.002 0.000 0.343 330 Y C 1.621 177.549 175.900 0.046 0.000 1.245 330 Y CA 0.943 59.072 58.100 0.048 0.000 1.462 330 Y CB 0.719 39.209 38.460 0.050 0.000 1.340 330 Y HN 0.313 nan 8.280 nan 0.000 0.604 331 T N -0.497 114.193 114.554 0.227 0.000 2.945 331 T HA 0.364 4.715 4.350 0.002 0.000 0.286 331 T C 0.890 175.682 174.700 0.154 0.000 1.025 331 T CA -0.930 61.260 62.100 0.150 0.000 1.039 331 T CB 1.082 70.013 68.868 0.104 0.000 1.068 331 T HN 0.658 nan 8.240 nan 0.000 0.497 332 L N 0.956 122.259 121.223 0.133 0.000 2.042 332 L HA -0.105 4.236 4.340 0.002 0.000 0.210 332 L C 2.603 179.549 176.870 0.126 0.000 1.076 332 L CA 1.811 56.735 54.840 0.140 0.000 0.749 332 L CB -0.608 41.544 42.059 0.156 0.000 0.893 332 L HN 0.835 nan 8.230 nan 0.000 0.432 333 D N -0.468 119.999 120.400 0.111 0.000 2.309 333 D HA -0.230 4.411 4.640 0.002 0.000 0.212 333 D C 1.643 177.991 176.300 0.079 0.000 0.968 333 D CA 1.057 55.111 54.000 0.091 0.000 0.882 333 D CB -0.202 40.644 40.800 0.077 0.000 0.918 333 D HN 0.448 nan 8.370 nan 0.000 0.503 334 E N -0.345 119.915 120.200 0.101 0.000 2.250 334 E HA 0.141 4.492 4.350 0.002 0.000 0.192 334 E C 0.615 177.260 176.600 0.075 0.000 0.986 334 E CA -0.030 56.438 56.400 0.114 0.000 0.849 334 E CB 0.339 30.162 29.700 0.205 0.000 0.797 334 E HN 0.294 nan 8.360 nan 0.000 0.482 335 L N 1.258 122.509 121.223 0.047 0.000 2.421 335 L HA 0.236 4.577 4.340 0.002 0.000 0.263 335 L C 0.296 177.152 176.870 -0.022 0.000 1.122 335 L CA -0.568 54.255 54.840 -0.027 0.000 0.804 335 L CB 0.635 42.664 42.059 -0.050 0.000 1.150 335 L HN 0.028 nan 8.230 nan 0.000 0.457 336 M N 1.307 120.873 119.600 -0.055 0.000 2.573 336 M HA 0.251 4.731 4.480 0.002 0.000 0.309 336 M C -0.379 175.875 176.300 -0.077 0.000 1.202 336 M CA -0.766 54.496 55.300 -0.063 0.000 0.975 336 M CB 1.006 33.565 32.600 -0.068 0.000 1.600 336 M HN 0.382 nan 8.290 nan 0.000 0.479 337 N N 1.388 120.032 118.700 -0.093 0.000 2.406 337 N HA 0.063 4.804 4.740 0.002 0.000 0.251 337 N C 0.339 175.800 175.510 -0.082 0.000 1.069 337 N CA 0.218 53.219 53.050 -0.083 0.000 0.947 337 N CB 0.538 38.952 38.487 -0.121 0.000 1.111 337 N HN 0.398 nan 8.380 nan 0.000 0.497 338 D N 2.670 123.034 120.400 -0.061 0.000 2.269 338 D HA -0.260 4.381 4.640 0.002 0.000 0.191 338 D C 1.726 177.979 176.300 -0.079 0.000 1.007 338 D CA 2.037 56.023 54.000 -0.023 0.000 0.855 338 D CB -0.211 40.648 40.800 0.098 0.000 0.979 338 D HN 0.785 nan 8.370 nan 0.000 0.452 339 I N -0.993 119.493 120.570 -0.139 0.000 2.756 339 I HA -0.098 4.073 4.170 0.002 0.000 0.262 339 I C 1.039 177.109 176.117 -0.078 0.000 1.225 339 I CA 1.387 62.581 61.300 -0.176 0.000 1.472 339 I CB -0.699 37.149 38.000 -0.253 0.000 1.094 339 I HN -0.069 nan 8.210 nan 0.000 0.454 340 T N -1.031 113.483 114.554 -0.066 0.000 3.330 340 T HA 0.462 4.813 4.350 0.002 0.000 0.249 340 T C 1.300 175.959 174.700 -0.068 0.000 0.980 340 T CA 0.072 62.138 62.100 -0.057 0.000 0.920 340 T CB -0.425 68.372 68.868 -0.119 0.000 1.065 340 T HN 0.685 nan 8.240 nan 0.000 0.588 341 G N 0.886 109.651 108.800 -0.058 0.000 2.305 341 G HA2 0.011 3.972 3.960 0.002 0.000 0.287 341 G HA3 0.011 3.972 3.960 0.002 0.000 0.287 341 G C 1.175 176.041 174.900 -0.057 0.000 1.036 341 G CA 0.193 45.265 45.100 -0.045 0.000 0.887 341 G HN 1.707 nan 8.290 nan 0.000 0.505 342 G N -1.029 107.727 108.800 -0.074 0.000 2.205 342 G HA2 -0.403 3.558 3.960 0.002 0.000 0.269 342 G HA3 -0.403 3.558 3.960 0.002 0.000 0.269 342 G C 1.353 176.188 174.900 -0.108 0.000 0.977 342 G CA 1.299 46.350 45.100 -0.081 0.000 0.652 342 G HN 1.013 nan 8.290 nan 0.000 0.539 343 R N 0.566 120.990 120.500 -0.126 0.000 2.139 343 R HA 0.074 4.415 4.340 0.002 0.000 0.243 343 R C 2.042 178.199 176.300 -0.239 0.000 1.145 343 R CA 1.869 57.877 56.100 -0.154 0.000 0.976 343 R CB -0.472 29.747 30.300 -0.135 0.000 0.866 343 R HN 0.807 nan 8.270 nan 0.000 0.449 344 T N -2.700 111.663 114.554 -0.318 0.000 2.930 344 T HA 0.589 4.940 4.350 0.002 0.000 0.290 344 T C -2.781 171.767 174.700 -0.253 0.000 1.052 344 T CA -2.591 59.277 62.100 -0.387 0.000 1.017 344 T CB 2.708 71.150 68.868 -0.711 0.000 1.137 344 T HN -0.218 nan 8.240 nan 0.000 0.511 345 P HA 0.373 nan 4.420 nan 0.000 0.276 345 P C 0.245 177.604 177.300 0.099 0.000 1.261 345 P CA -0.532 62.550 63.100 -0.031 0.000 0.800 345 P CB 0.669 32.384 31.700 0.026 0.000 1.066 346 A N 0.554 123.476 122.820 0.169 0.000 2.169 346 A HA 0.029 4.350 4.320 0.002 0.000 0.212 346 A C 1.117 178.999 177.584 0.496 0.000 1.153 346 A CA 0.517 52.743 52.037 0.315 0.000 0.756 346 A CB -1.142 17.907 19.000 0.082 0.000 0.813 346 A HN 0.573 nan 8.150 nan 0.000 0.471 347 S N 0.799 116.712 115.700 0.355 0.000 3.530 347 S HA 0.536 5.007 4.470 0.002 0.000 0.279 347 S C -0.298 174.538 174.600 0.395 0.000 1.280 347 S CA -0.500 57.878 58.200 0.297 0.000 0.946 347 S CB -1.367 61.943 63.200 0.184 0.000 1.501 347 S HN 0.781 nan 8.310 nan 0.000 0.498 348 F N -1.513 118.533 119.950 0.160 0.000 2.817 348 F HA 0.679 5.207 4.527 0.002 0.000 0.317 348 F C -1.277 174.597 175.800 0.124 0.000 1.168 348 F CA -1.317 56.759 58.000 0.127 0.000 0.911 348 F CB 0.866 39.939 39.000 0.123 0.000 1.337 348 F HN 0.173 nan 8.300 nan 0.000 0.464 349 E N 1.945 122.100 120.200 -0.076 0.000 2.158 349 E HA 0.427 4.778 4.350 0.002 0.000 0.271 349 E C -2.677 173.810 176.600 -0.188 0.000 0.911 349 E CA -2.041 54.213 56.400 -0.245 0.000 0.767 349 E CB 1.969 31.634 29.700 -0.059 0.000 1.120 349 E HN 0.281 nan 8.360 nan 0.000 0.405 350 P HA 0.042 nan 4.420 nan 0.000 0.272 350 P C -0.864 176.475 177.300 0.065 0.000 1.223 350 P CA -0.187 62.924 63.100 0.019 0.000 0.784 350 P CB 0.849 32.543 31.700 -0.010 0.000 0.923 351 S N 1.438 117.212 115.700 0.123 0.000 2.557 351 S HA 0.719 5.190 4.470 0.002 0.000 0.291 351 S C -0.626 173.945 174.600 -0.048 0.000 1.116 351 S CA -0.776 57.433 58.200 0.016 0.000 0.992 351 S CB -0.045 63.170 63.200 0.025 0.000 1.028 351 S HN 0.356 nan 8.310 nan 0.000 0.484 352 I N 1.794 122.242 120.570 -0.204 0.000 2.530 352 I HA 0.674 4.845 4.170 0.002 0.000 0.297 352 I C -0.743 175.080 176.117 -0.490 0.000 1.011 352 I CA -0.864 60.136 61.300 -0.500 0.000 1.107 352 I CB 2.097 39.565 38.000 -0.887 0.000 1.285 352 I HN 0.502 nan 8.210 nan 0.000 0.436 353 D N 5.545 125.670 120.400 -0.458 0.000 3.058 353 D HA 0.289 4.930 4.640 0.002 0.000 0.272 353 D C -0.615 175.670 176.300 -0.025 0.000 1.350 353 D CA -0.163 53.740 54.000 -0.161 0.000 0.863 353 D CB -0.364 40.444 40.800 0.012 0.000 1.064 353 D HN 0.749 nan 8.370 nan 0.000 0.488 354 Y N -3.675 116.625 120.300 -0.001 0.000 2.818 354 Y HA 0.628 5.179 4.550 0.002 0.000 0.341 354 Y C -1.733 174.137 175.900 -0.050 0.000 1.283 354 Y CA -1.685 56.391 58.100 -0.040 0.000 1.075 354 Y CB 0.728 39.069 38.460 -0.198 0.000 1.370 354 Y HN -0.201 nan 8.280 nan 0.000 0.448 355 V N 1.996 122.045 119.914 0.226 0.000 2.540 355 V HA 0.622 4.743 4.120 0.002 0.000 0.302 355 V C -0.758 175.423 176.094 0.145 0.000 1.035 355 V CA -0.866 61.533 62.300 0.166 0.000 0.873 355 V CB 1.589 33.520 31.823 0.180 0.000 0.992 355 V HN 0.659 nan 8.190 nan 0.000 0.428 356 V N 3.702 123.692 119.914 0.126 0.000 2.435 356 V HA 0.601 4.722 4.120 0.002 0.000 0.290 356 V C 0.149 176.274 176.094 0.052 0.000 1.030 356 V CA -0.196 62.134 62.300 0.050 0.000 0.881 356 V CB 1.949 33.797 31.823 0.040 0.000 0.983 356 V HN 0.976 nan 8.190 nan 0.000 0.445 357 T N 5.012 119.575 114.554 0.016 0.000 2.861 357 T HA 0.449 4.800 4.350 0.002 0.000 0.287 357 T C -0.614 174.081 174.700 -0.007 0.000 1.003 357 T CA -0.714 61.392 62.100 0.012 0.000 0.977 357 T CB 1.637 70.504 68.868 -0.001 0.000 0.996 357 T HN 0.668 nan 8.240 nan 0.000 0.448 358 K N 3.844 124.236 120.400 -0.014 0.000 2.292 358 K HA 0.625 4.946 4.320 0.002 0.000 0.257 358 K C -1.431 175.144 176.600 -0.041 0.000 0.940 358 K CA -0.699 55.582 56.287 -0.010 0.000 0.811 358 K CB 1.026 33.529 32.500 0.004 0.000 1.120 358 K HN 0.618 nan 8.250 nan 0.000 0.428 359 I N 5.773 126.318 120.570 -0.041 0.000 2.466 359 I HA 0.334 4.505 4.170 0.002 0.000 0.289 359 I C -2.284 173.806 176.117 -0.046 0.000 1.026 359 I CA -2.697 58.570 61.300 -0.056 0.000 1.078 359 I CB 2.150 40.098 38.000 -0.086 0.000 1.249 359 I HN 0.481 nan 8.210 nan 0.000 0.429 360 P HA 0.221 nan 4.420 nan 0.000 0.274 360 P C -0.953 176.158 177.300 -0.315 0.000 1.231 360 P CA -0.542 62.422 63.100 -0.226 0.000 0.790 360 P CB 0.854 32.351 31.700 -0.339 0.000 0.951 361 R N 2.029 122.285 120.500 -0.407 0.000 2.387 361 R HA 0.600 4.941 4.340 0.002 0.000 0.314 361 R C -1.093 174.901 176.300 -0.510 0.000 0.958 361 R CA -0.462 55.475 56.100 -0.272 0.000 0.846 361 R CB -0.126 30.103 30.300 -0.118 0.000 1.147 361 R HN 0.281 nan 8.270 nan 0.000 0.447 362 F N 1.603 121.564 119.950 0.017 0.000 2.518 362 F HA 0.464 4.992 4.527 0.002 0.000 0.338 362 F C 0.839 176.578 175.800 -0.101 0.000 1.065 362 F CA -0.689 57.253 58.000 -0.096 0.000 1.012 362 F CB 1.671 40.623 39.000 -0.081 0.000 1.297 362 F HN 0.563 nan 8.300 nan 0.000 0.489 363 N N -0.520 118.170 118.700 -0.017 0.000 2.471 363 N HA 0.182 4.923 4.740 0.002 0.000 0.270 363 N C 0.357 175.878 175.510 0.017 0.000 1.490 363 N CA 0.017 53.080 53.050 0.020 0.000 0.850 363 N CB 0.152 38.692 38.487 0.088 0.000 1.411 363 N HN 0.354 nan 8.380 nan 0.000 0.488 364 F N 1.877 121.947 119.950 0.201 0.000 2.236 364 F HA -0.218 4.310 4.527 0.002 0.000 0.302 364 F C 2.697 178.493 175.800 -0.006 0.000 1.073 364 F CA 1.045 59.108 58.000 0.105 0.000 1.336 364 F CB -0.024 39.004 39.000 0.048 0.000 1.040 364 F HN 0.317 nan 8.300 nan 0.000 0.507 365 E N 1.110 121.381 120.200 0.120 0.000 2.204 365 E HA -0.218 4.133 4.350 0.002 0.000 0.195 365 E C 1.522 178.030 176.600 -0.153 0.000 0.990 365 E CA 1.221 57.620 56.400 -0.003 0.000 0.821 365 E CB -0.712 28.977 29.700 -0.018 0.000 0.750 365 E HN 0.394 nan 8.360 nan 0.000 0.477 366 K N -0.208 119.975 120.400 -0.361 0.000 2.432 366 K HA 0.054 4.375 4.320 0.002 0.000 0.196 366 K C -0.163 175.674 176.600 -1.271 0.000 1.038 366 K CA 0.363 56.165 56.287 -0.809 0.000 0.986 366 K CB 0.055 31.934 32.500 -1.035 0.000 0.782 366 K HN 0.091 nan 8.250 nan 0.000 0.485 367 F N -0.185 119.697 119.950 -0.114 0.000 2.523 367 F HA 0.330 4.858 4.527 0.001 0.000 0.322 367 F C 1.053 176.820 175.800 -0.055 0.000 1.361 367 F CA -0.902 57.019 58.000 -0.132 0.000 1.151 367 F CB 0.334 39.045 39.000 -0.481 0.000 1.391 367 F HN -0.157 nan 8.300 nan 0.000 0.566 368 A N 1.435 124.280 122.820 0.043 0.000 1.893 368 A HA -0.262 4.059 4.320 0.002 0.000 0.222 368 A C 2.436 180.053 177.584 0.056 0.000 1.309 368 A CA 2.439 54.498 52.037 0.035 0.000 0.681 368 A CB -1.261 17.746 19.000 0.011 0.000 0.842 368 A HN 0.730 nan 8.150 nan 0.000 0.468 369 G N -1.213 107.633 108.800 0.077 0.000 2.956 369 G HA2 0.395 4.356 3.960 0.002 0.000 0.207 369 G HA3 0.395 4.356 3.960 0.002 0.000 0.207 369 G C 0.542 175.498 174.900 0.094 0.000 1.162 369 G CA 0.769 45.911 45.100 0.068 0.000 0.796 369 G HN 0.931 nan 8.290 nan 0.000 0.527 370 A N 0.334 123.230 122.820 0.127 0.000 2.351 370 A HA 0.432 4.753 4.320 0.002 0.000 0.257 370 A C 0.479 178.116 177.584 0.088 0.000 1.087 370 A CA -0.621 51.514 52.037 0.164 0.000 0.798 370 A CB 0.359 19.460 19.000 0.169 0.000 1.033 370 A HN 0.230 nan 8.150 nan 0.000 0.488 371 N N 1.052 119.824 118.700 0.121 0.000 2.405 371 N HA 0.020 4.761 4.740 0.002 0.000 0.260 371 N C -0.482 174.978 175.510 -0.083 0.000 1.152 371 N CA 0.057 53.121 53.050 0.023 0.000 0.948 371 N CB 0.899 39.425 38.487 0.065 0.000 1.111 371 N HN 0.588 nan 8.380 nan 0.000 0.485 372 D N 2.211 122.392 120.400 -0.364 0.000 2.340 372 D HA 0.043 4.684 4.640 0.002 0.000 0.217 372 D C -0.030 175.858 176.300 -0.686 0.000 1.081 372 D CA -0.021 53.378 54.000 -1.001 0.000 0.842 372 D CB 0.178 40.243 40.800 -1.226 0.000 0.934 372 D HN 0.207 nan 8.370 nan 0.000 0.511 373 R N 0.782 121.108 120.500 -0.289 0.000 2.441 373 R HA 0.362 4.703 4.340 0.002 0.000 0.284 373 R C 0.311 176.591 176.300 -0.033 0.000 1.070 373 R CA -0.583 55.421 56.100 -0.159 0.000 1.047 373 R CB 0.931 31.173 30.300 -0.097 0.000 1.016 373 R HN 0.203 nan 8.270 nan 0.000 0.477 374 L N 1.253 122.475 121.223 -0.003 0.000 2.380 374 L HA 0.268 4.609 4.340 0.002 0.000 0.273 374 L C 1.224 178.164 176.870 0.116 0.000 1.138 374 L CA 0.208 55.106 54.840 0.096 0.000 0.832 374 L CB 0.888 43.008 42.059 0.101 0.000 1.124 374 L HN 0.651 nan 8.230 nan 0.000 0.454 375 T N -1.049 113.595 114.554 0.150 0.000 2.587 375 T HA 0.186 4.537 4.350 0.002 0.000 0.282 375 T C 0.938 175.726 174.700 0.147 0.000 1.018 375 T CA 0.381 62.561 62.100 0.133 0.000 1.120 375 T CB 1.191 70.127 68.868 0.115 0.000 1.538 375 T HN 0.716 nan 8.240 nan 0.000 0.480 376 T N -0.524 114.099 114.554 0.115 0.000 3.088 376 T HA 0.183 4.534 4.350 0.002 0.000 0.259 376 T C 0.750 175.543 174.700 0.155 0.000 1.122 376 T CA 0.350 62.537 62.100 0.145 0.000 1.095 376 T CB -0.105 68.814 68.868 0.085 0.000 0.930 376 T HN 0.516 nan 8.240 nan 0.000 0.508 377 Q N 1.304 121.147 119.800 0.072 0.000 2.303 377 Q HA 0.377 4.718 4.340 0.002 0.000 0.257 377 Q C -0.513 175.459 176.000 -0.047 0.000 0.941 377 Q CA -0.516 55.277 55.803 -0.017 0.000 0.931 377 Q CB 0.853 29.562 28.738 -0.048 0.000 1.215 377 Q HN 0.415 nan 8.270 nan 0.000 0.437 378 M N 3.687 123.162 119.600 -0.207 0.000 2.245 378 M HA -0.068 4.413 4.480 0.002 0.000 0.335 378 M C 0.473 176.732 176.300 -0.068 0.000 1.155 378 M CA 1.344 56.552 55.300 -0.155 0.000 1.055 378 M CB 0.445 32.861 32.600 -0.307 0.000 1.670 378 M HN 0.609 nan 8.290 nan 0.000 0.447 379 K N 0.070 120.525 120.400 0.091 0.000 2.521 379 K HA 0.105 4.426 4.320 0.002 0.000 0.213 379 K C 0.137 176.821 176.600 0.140 0.000 1.223 379 K CA -0.100 56.277 56.287 0.149 0.000 1.013 379 K CB 0.817 33.592 32.500 0.458 0.000 1.017 379 K HN 0.774 nan 8.250 nan 0.000 0.591 380 S N 0.444 116.150 115.700 0.010 0.000 2.585 380 S HA 0.108 4.579 4.470 0.002 0.000 0.273 380 S C 1.165 175.633 174.600 -0.220 0.000 1.339 380 S CA -0.668 57.319 58.200 -0.355 0.000 1.028 380 S CB 1.459 64.198 63.200 -0.767 0.000 0.906 380 S HN 0.048 nan 8.310 nan 0.000 0.528 381 V N -0.627 119.153 119.914 -0.224 0.000 3.660 381 V HA 0.659 4.779 4.120 0.002 0.000 0.276 381 V C 0.894 176.916 176.094 -0.120 0.000 1.317 381 V CA 0.602 62.831 62.300 -0.118 0.000 1.097 381 V CB -0.970 30.822 31.823 -0.052 0.000 0.863 381 V HN 1.247 nan 8.190 nan 0.000 0.438 382 G N 0.441 109.135 108.800 -0.176 0.000 2.428 382 G HA2 0.595 4.556 3.960 0.002 0.000 0.305 382 G HA3 0.595 4.556 3.960 0.002 0.000 0.305 382 G C -1.665 173.144 174.900 -0.152 0.000 1.260 382 G CA -0.023 45.000 45.100 -0.130 0.000 0.853 382 G HN 0.736 nan 8.290 nan 0.000 0.480 383 E N -2.168 117.975 120.200 -0.095 0.000 2.396 383 E HA 0.593 4.944 4.350 0.002 0.000 0.280 383 E C -2.064 174.521 176.600 -0.025 0.000 1.065 383 E CA -0.948 55.408 56.400 -0.073 0.000 0.831 383 E CB 2.125 31.787 29.700 -0.063 0.000 1.272 383 E HN 0.966 nan 8.360 nan 0.000 0.443 384 V N 1.990 121.903 119.914 -0.001 0.000 2.960 384 V HA 0.761 4.882 4.120 0.002 0.000 0.315 384 V C -0.971 175.175 176.094 0.087 0.000 1.087 384 V CA -0.760 61.566 62.300 0.043 0.000 0.982 384 V CB 1.967 33.810 31.823 0.034 0.000 1.039 384 V HN 0.836 nan 8.190 nan 0.000 0.437 385 M N 4.774 124.496 119.600 0.204 0.000 2.572 385 M HA 0.890 5.371 4.480 0.002 0.000 0.299 385 M C -1.291 175.185 176.300 0.294 0.000 1.205 385 M CA -0.475 54.955 55.300 0.216 0.000 0.876 385 M CB 2.104 34.824 32.600 0.199 0.000 1.728 385 M HN 0.863 nan 8.290 nan 0.000 0.458 386 A N 3.951 126.841 122.820 0.116 0.000 2.498 386 A HA 0.860 5.181 4.320 0.002 0.000 0.298 386 A C -1.645 175.909 177.584 -0.051 0.000 1.075 386 A CA -0.758 51.340 52.037 0.102 0.000 0.714 386 A CB 1.578 20.623 19.000 0.076 0.000 1.299 386 A HN 0.861 nan 8.150 nan 0.000 0.407 387 I N 1.216 121.721 120.570 -0.107 0.000 2.466 387 I HA 0.631 4.802 4.170 0.002 0.000 0.289 387 I C 0.434 176.403 176.117 -0.247 0.000 1.026 387 I CA -0.439 60.632 61.300 -0.381 0.000 1.078 387 I CB 2.249 39.697 38.000 -0.920 0.000 1.249 387 I HN 0.805 nan 8.210 nan 0.000 0.429 388 G N 4.241 112.944 108.800 -0.161 0.000 2.660 388 G HA2 0.399 4.360 3.960 0.002 0.000 0.294 388 G HA3 0.399 4.360 3.960 0.002 0.000 0.294 388 G C 0.165 175.134 174.900 0.114 0.000 1.369 388 G CA -0.510 44.618 45.100 0.046 0.000 0.912 388 G HN 0.469 nan 8.290 nan 0.000 0.479 389 R N -0.745 119.880 120.500 0.209 0.000 2.235 389 R HA 0.051 4.392 4.340 0.002 0.000 0.213 389 R C 1.020 177.418 176.300 0.163 0.000 1.059 389 R CA 1.197 57.428 56.100 0.218 0.000 0.997 389 R CB -0.155 30.277 30.300 0.220 0.000 0.884 389 R HN 0.709 nan 8.270 nan 0.000 0.462 390 T N -4.179 110.459 114.554 0.141 0.000 2.887 390 T HA 0.208 4.559 4.350 0.002 0.000 0.292 390 T C 0.718 175.498 174.700 0.133 0.000 1.087 390 T CA -0.881 61.297 62.100 0.130 0.000 1.009 390 T CB 2.088 71.014 68.868 0.095 0.000 1.203 390 T HN -0.215 nan 8.240 nan 0.000 0.518 391 Q N 0.210 120.103 119.800 0.155 0.000 2.119 391 Q HA -0.062 4.279 4.340 0.002 0.000 0.201 391 Q C 2.215 178.282 176.000 0.111 0.000 0.972 391 Q CA 1.880 57.795 55.803 0.187 0.000 0.847 391 Q CB -0.468 28.428 28.738 0.265 0.000 0.903 391 Q HN 0.778 nan 8.270 nan 0.000 0.433 392 Q N -0.143 119.688 119.800 0.051 0.000 2.046 392 Q HA -0.198 4.143 4.340 0.002 0.000 0.200 392 Q C 2.015 178.012 176.000 -0.005 0.000 0.975 392 Q CA 1.614 57.425 55.803 0.014 0.000 0.836 392 Q CB -0.144 28.578 28.738 -0.025 0.000 0.896 392 Q HN 0.557 nan 8.270 nan 0.000 0.428 393 E N 0.051 120.263 120.200 0.021 0.000 2.051 393 E HA -0.223 4.128 4.350 0.002 0.000 0.192 393 E C 2.085 178.706 176.600 0.035 0.000 0.991 393 E CA 1.339 57.758 56.400 0.031 0.000 0.799 393 E CB -0.108 29.645 29.700 0.088 0.000 0.748 393 E HN 0.169 nan 8.360 nan 0.000 0.449 394 S N -0.032 115.699 115.700 0.052 0.000 2.359 394 S HA -0.196 4.275 4.470 0.002 0.000 0.224 394 S C 2.010 176.616 174.600 0.009 0.000 1.035 394 S CA 1.391 59.614 58.200 0.039 0.000 1.018 394 S CB -0.403 62.834 63.200 0.062 0.000 0.876 394 S HN 0.367 nan 8.310 nan 0.000 0.448 395 L N 1.731 122.956 121.223 0.004 0.000 2.017 395 L HA -0.035 4.306 4.340 0.002 0.000 0.208 395 L C 2.519 179.312 176.870 -0.130 0.000 1.073 395 L CA 1.951 56.756 54.840 -0.059 0.000 0.745 395 L CB -0.891 41.161 42.059 -0.012 0.000 0.894 395 L HN 0.368 nan 8.230 nan 0.000 0.432 396 Q N -0.550 119.184 119.800 -0.111 0.000 2.167 396 Q HA -0.220 4.121 4.340 0.002 0.000 0.202 396 Q C 2.218 178.157 176.000 -0.101 0.000 0.970 396 Q CA 1.520 57.222 55.803 -0.168 0.000 0.855 396 Q CB -0.060 28.558 28.738 -0.200 0.000 0.911 396 Q HN 0.573 nan 8.270 nan 0.000 0.438 397 K N 0.206 120.584 120.400 -0.037 0.000 2.103 397 K HA -0.054 4.267 4.320 0.002 0.000 0.204 397 K C 2.077 178.684 176.600 0.012 0.000 1.052 397 K CA 0.904 57.202 56.287 0.017 0.000 0.945 397 K CB -0.043 32.496 32.500 0.065 0.000 0.722 397 K HN 0.095 nan 8.250 nan 0.000 0.443 398 A N 1.445 124.256 122.820 -0.016 0.000 1.877 398 A HA -0.143 4.178 4.320 0.002 0.000 0.216 398 A C 2.095 179.654 177.584 -0.042 0.000 1.186 398 A CA 1.231 53.258 52.037 -0.016 0.000 0.620 398 A CB -0.682 18.288 19.000 -0.049 0.000 0.822 398 A HN 0.155 nan 8.150 nan 0.000 0.443 399 L N -0.305 120.848 121.223 -0.115 0.000 2.042 399 L HA -0.256 4.085 4.340 0.002 0.000 0.210 399 L C 2.795 179.670 176.870 0.007 0.000 1.076 399 L CA 2.045 56.822 54.840 -0.104 0.000 0.749 399 L CB -0.498 41.390 42.059 -0.285 0.000 0.893 399 L HN 0.623 nan 8.230 nan 0.000 0.432 400 R N 0.049 120.545 120.500 -0.006 0.000 2.235 400 R HA -0.017 4.324 4.340 0.002 0.000 0.213 400 R C 1.829 178.150 176.300 0.035 0.000 1.059 400 R CA 1.141 57.257 56.100 0.027 0.000 0.997 400 R CB -0.529 29.789 30.300 0.030 0.000 0.884 400 R HN 0.222 nan 8.270 nan 0.000 0.462 401 G N 0.702 109.522 108.800 0.033 0.000 3.088 401 G HA2 -0.038 3.923 3.960 0.002 0.000 0.217 401 G HA3 -0.038 3.923 3.960 0.002 0.000 0.217 401 G C 1.065 175.982 174.900 0.029 0.000 1.159 401 G CA -0.324 44.797 45.100 0.034 0.000 0.760 401 G HN 0.226 nan 8.290 nan 0.000 0.550 402 L N 0.283 121.532 121.223 0.044 0.000 2.362 402 L HA 0.098 4.438 4.340 0.002 0.000 0.219 402 L C 1.051 177.950 176.870 0.047 0.000 1.134 402 L CA 0.997 55.872 54.840 0.059 0.000 0.807 402 L CB -0.072 42.057 42.059 0.116 0.000 0.927 402 L HN 0.198 nan 8.230 nan 0.000 0.447 403 E N -1.048 119.170 120.200 0.030 0.000 2.553 403 E HA -0.176 4.175 4.350 0.002 0.000 0.264 403 E C 0.698 177.301 176.600 0.005 0.000 1.068 403 E CA 0.920 57.323 56.400 0.006 0.000 0.774 403 E CB -2.229 27.463 29.700 -0.012 0.000 1.349 403 E HN 0.486 nan 8.360 nan 0.000 0.404 404 V N -4.130 115.793 119.914 0.015 0.000 3.380 404 V HA 0.592 4.713 4.120 0.002 0.000 0.307 404 V C 1.286 177.339 176.094 -0.068 0.000 1.434 404 V CA 0.877 63.166 62.300 -0.018 0.000 1.075 404 V CB 0.723 32.549 31.823 0.006 0.000 0.954 404 V HN 0.592 nan 8.190 nan 0.000 0.444 405 G N 0.264 109.038 108.800 -0.043 0.000 2.143 405 G HA2 -0.051 3.910 3.960 0.002 0.000 0.249 405 G HA3 -0.051 3.910 3.960 0.002 0.000 0.249 405 G C 0.353 175.218 174.900 -0.058 0.000 0.981 405 G CA 0.282 45.349 45.100 -0.054 0.000 0.665 405 G HN 1.659 nan 8.290 nan 0.000 0.528 406 A N -0.130 122.671 122.820 -0.030 0.000 2.316 406 A HA 0.808 5.129 4.320 0.002 0.000 0.284 406 A C 1.323 178.943 177.584 0.059 0.000 1.115 406 A CA 1.036 53.084 52.037 0.020 0.000 0.812 406 A CB 0.700 19.803 19.000 0.172 0.000 1.064 406 A HN 1.457 nan 8.150 nan 0.000 0.489 407 T N -1.549 113.051 114.554 0.076 0.000 3.044 407 T HA 0.547 4.898 4.350 0.002 0.000 0.260 407 T C 0.843 175.593 174.700 0.084 0.000 1.019 407 T CA 0.904 63.048 62.100 0.074 0.000 0.921 407 T CB -0.156 68.757 68.868 0.075 0.000 1.053 407 T HN 2.242 nan 8.240 nan 0.000 0.533 408 G N 1.495 110.346 108.800 0.085 0.000 2.249 408 G HA2 0.135 4.095 3.960 0.002 0.000 0.089 408 G HA3 0.135 4.095 3.960 0.002 0.000 0.089 408 G C -1.016 173.901 174.900 0.029 0.000 1.206 408 G CA -0.745 44.336 45.100 -0.030 0.000 1.190 408 G HN 0.162 nan 8.290 nan 0.000 0.454 409 F N 3.853 123.936 119.950 0.222 0.000 2.859 409 F HA 0.256 4.784 4.527 0.002 0.000 0.315 409 F C 0.711 176.711 175.800 0.333 0.000 1.207 409 F CA -0.324 57.849 58.000 0.289 0.000 1.370 409 F CB -0.244 38.856 39.000 0.167 0.000 1.314 409 F HN 0.077 nan 8.300 nan 0.000 0.555 410 D N 3.043 123.685 120.400 0.403 0.000 2.472 410 D HA -0.005 4.636 4.640 0.002 0.000 0.237 410 D C -2.087 174.306 176.300 0.155 0.000 1.141 410 D CA -0.732 53.382 54.000 0.190 0.000 0.875 410 D CB 0.529 41.344 40.800 0.026 0.000 1.192 410 D HN 0.092 nan 8.370 nan 0.000 0.450 411 P HA 0.088 nan 4.420 nan 0.000 0.271 411 P C 0.183 177.429 177.300 -0.090 0.000 1.218 411 P CA -0.234 62.881 63.100 0.024 0.000 0.780 411 P CB 1.035 32.751 31.700 0.027 0.000 0.901 412 K N 1.002 121.295 120.400 -0.178 0.000 2.350 412 K HA 0.128 4.449 4.320 0.002 0.000 0.196 412 K C 0.339 176.853 176.600 -0.144 0.000 1.084 412 K CA 0.577 56.690 56.287 -0.290 0.000 0.967 412 K CB 0.203 32.236 32.500 -0.778 0.000 0.950 412 K HN 0.419 nan 8.250 nan 0.000 0.512 413 V N -1.613 118.251 119.914 -0.082 0.000 2.919 413 V HA 0.555 4.676 4.120 0.002 0.000 0.316 413 V C -0.054 176.050 176.094 0.016 0.000 1.077 413 V CA -1.235 61.075 62.300 0.017 0.000 0.977 413 V CB 1.647 33.526 31.823 0.093 0.000 1.039 413 V HN -0.028 nan 8.190 nan 0.000 0.441 414 S N 0.618 116.333 115.700 0.025 0.000 2.586 414 S HA 0.480 4.951 4.470 0.002 0.000 0.274 414 S C 0.850 175.468 174.600 0.029 0.000 1.281 414 S CA -0.582 57.632 58.200 0.022 0.000 1.035 414 S CB 0.723 63.934 63.200 0.018 0.000 0.962 414 S HN 0.715 nan 8.310 nan 0.000 0.512 415 L N 2.224 123.464 121.223 0.028 0.000 2.083 415 L HA -0.056 4.285 4.340 0.002 0.000 0.209 415 L C 1.303 178.190 176.870 0.028 0.000 1.083 415 L CA 1.267 56.126 54.840 0.032 0.000 0.752 415 L CB -0.375 41.703 42.059 0.031 0.000 0.899 415 L HN 0.721 nan 8.230 nan 0.000 0.433 416 D N -1.673 118.741 120.400 0.023 0.000 2.519 416 D HA -0.010 4.631 4.640 0.002 0.000 0.238 416 D C -0.015 176.297 176.300 0.020 0.000 1.192 416 D CA -0.129 53.883 54.000 0.020 0.000 0.835 416 D CB -0.522 40.288 40.800 0.017 0.000 0.975 416 D HN 0.065 nan 8.370 nan 0.000 0.490 417 D N 1.213 121.628 120.400 0.024 0.000 2.329 417 D HA 0.145 4.786 4.640 0.002 0.000 0.232 417 D C -1.397 174.917 176.300 0.024 0.000 1.088 417 D CA -2.344 51.670 54.000 0.024 0.000 0.835 417 D CB 2.094 42.912 40.800 0.030 0.000 1.078 417 D HN -0.138 nan 8.370 nan 0.000 0.495 418 P HA -0.113 nan 4.420 nan 0.000 0.218 418 P C 0.260 177.571 177.300 0.018 0.000 1.148 418 P CA 1.088 64.198 63.100 0.017 0.000 0.822 418 P CB 0.380 32.088 31.700 0.012 0.000 0.784 419 E N -1.005 119.207 120.200 0.019 0.000 2.476 419 E HA 0.264 4.615 4.350 0.002 0.000 0.196 419 E C 1.840 178.457 176.600 0.028 0.000 1.029 419 E CA -0.032 56.379 56.400 0.018 0.000 0.896 419 E CB -0.035 29.672 29.700 0.011 0.000 1.012 419 E HN 0.127 nan 8.360 nan 0.000 0.475 420 A N 1.343 124.186 122.820 0.038 0.000 1.892 420 A HA -0.204 4.117 4.320 0.002 0.000 0.218 420 A C 2.102 179.722 177.584 0.058 0.000 1.188 420 A CA 1.185 53.257 52.037 0.057 0.000 0.631 420 A CB -0.590 18.447 19.000 0.061 0.000 0.822 420 A HN 0.248 nan 8.150 nan 0.000 0.447 421 L N -0.874 120.374 121.223 0.042 0.000 2.191 421 L HA -0.158 4.183 4.340 0.002 0.000 0.212 421 L C 2.662 179.543 176.870 0.018 0.000 1.103 421 L CA 1.596 56.456 54.840 0.034 0.000 0.769 421 L CB -0.545 41.530 42.059 0.026 0.000 0.908 421 L HN 0.368 nan 8.230 nan 0.000 0.438 422 T N -0.659 113.902 114.554 0.011 0.000 2.896 422 T HA -0.106 4.245 4.350 0.002 0.000 0.263 422 T C 1.849 176.535 174.700 -0.025 0.000 1.050 422 T CA 0.969 63.064 62.100 -0.008 0.000 1.140 422 T CB 0.085 68.947 68.868 -0.009 0.000 0.877 422 T HN 0.328 nan 8.240 nan 0.000 0.457 423 K N 0.931 121.326 120.400 -0.009 0.000 2.026 423 K HA 0.049 4.370 4.320 0.002 0.000 0.208 423 K C 2.114 178.660 176.600 -0.089 0.000 1.048 423 K CA 1.125 57.389 56.287 -0.038 0.000 0.929 423 K CB -0.306 32.212 32.500 0.029 0.000 0.713 423 K HN 0.272 nan 8.250 nan 0.000 0.439 424 I N 1.172 121.757 120.570 0.024 0.000 2.163 424 I HA -0.310 3.861 4.170 0.002 0.000 0.243 424 I C 2.821 178.911 176.117 -0.045 0.000 1.085 424 I CA 1.211 62.550 61.300 0.065 0.000 1.347 424 I CB -0.239 37.835 38.000 0.124 0.000 1.044 424 I HN 0.192 nan 8.210 nan 0.000 0.408 425 R N 0.870 121.347 120.500 -0.038 0.000 2.096 425 R HA -0.246 4.095 4.340 0.002 0.000 0.240 425 R C 2.568 178.816 176.300 -0.087 0.000 1.139 425 R CA 1.677 57.747 56.100 -0.051 0.000 0.952 425 R CB -0.321 29.958 30.300 -0.035 0.000 0.854 425 R HN 0.230 nan 8.270 nan 0.000 0.436 426 R N 0.843 121.275 120.500 -0.114 0.000 2.075 426 R HA -0.110 4.231 4.340 0.002 0.000 0.232 426 R C 1.555 177.745 176.300 -0.184 0.000 1.126 426 R CA 1.614 57.631 56.100 -0.139 0.000 0.963 426 R CB -0.297 29.919 30.300 -0.140 0.000 0.858 426 R HN 0.279 nan 8.270 nan 0.000 0.435 427 E N 0.596 120.627 120.200 -0.282 0.000 2.268 427 E HA -0.134 4.217 4.350 0.002 0.000 0.195 427 E C 1.937 178.437 176.600 -0.166 0.000 0.995 427 E CA 0.601 56.795 56.400 -0.344 0.000 0.836 427 E CB -0.028 29.179 29.700 -0.822 0.000 0.763 427 E HN 0.201 nan 8.360 nan 0.000 0.491 428 L N 0.782 121.937 121.223 -0.114 0.000 2.127 428 L HA -0.027 4.314 4.340 0.002 0.000 0.203 428 L C 2.343 179.174 176.870 -0.065 0.000 1.080 428 L CA 1.423 56.230 54.840 -0.057 0.000 0.768 428 L CB -0.394 41.636 42.059 -0.049 0.000 0.924 428 L HN -0.063 nan 8.230 nan 0.000 0.444 429 K N -0.717 119.635 120.400 -0.079 0.000 2.097 429 K HA -0.070 4.251 4.320 0.002 0.000 0.205 429 K C -0.302 176.250 176.600 -0.079 0.000 1.050 429 K CA 1.125 57.365 56.287 -0.077 0.000 0.938 429 K CB 0.229 32.681 32.500 -0.080 0.000 0.718 429 K HN 0.255 nan 8.250 nan 0.000 0.442 430 D N 0.877 121.220 120.400 -0.095 0.000 2.412 430 D HA 0.148 4.789 4.640 0.002 0.000 0.276 430 D C -1.157 175.088 176.300 -0.091 0.000 1.196 430 D CA -0.152 53.792 54.000 -0.093 0.000 0.905 430 D CB 1.337 42.065 40.800 -0.120 0.000 1.081 430 D HN 0.216 nan 8.370 nan 0.000 0.502 431 A N 1.485 124.273 122.820 -0.053 0.000 2.598 431 A HA 0.422 4.743 4.320 0.002 0.000 0.239 431 A C 0.883 178.425 177.584 -0.070 0.000 1.032 431 A CA 0.639 52.656 52.037 -0.033 0.000 0.760 431 A CB 0.400 19.410 19.000 0.017 0.000 0.946 431 A HN 0.540 nan 8.150 nan 0.000 0.512 432 G N -0.536 108.212 108.800 -0.086 0.000 3.211 432 G HA2 0.595 4.556 3.960 0.002 0.000 0.262 432 G HA3 0.595 4.556 3.960 0.002 0.000 0.262 432 G C 0.829 175.643 174.900 -0.144 0.000 1.352 432 G CA 0.118 45.117 45.100 -0.169 0.000 1.004 432 G HN 1.360 nan 8.290 nan 0.000 0.559 433 A N -0.878 121.812 122.820 -0.217 0.000 2.066 433 A HA 0.101 4.422 4.320 0.002 0.000 0.218 433 A C 1.465 179.193 177.584 0.240 0.000 1.157 433 A CA 1.801 53.705 52.037 -0.222 0.000 0.670 433 A CB -0.138 18.779 19.000 -0.138 0.000 0.804 433 A HN 0.383 nan 8.150 nan 0.000 0.453 434 D N -1.114 119.474 120.400 0.315 0.000 2.339 434 D HA 0.039 4.680 4.640 0.002 0.000 0.217 434 D C 1.712 178.393 176.300 0.636 0.000 1.050 434 D CA 0.065 54.444 54.000 0.631 0.000 0.856 434 D CB -0.170 40.962 40.800 0.553 0.000 0.922 434 D HN 0.501 nan 8.370 nan 0.000 0.518 435 R N 0.716 121.427 120.500 0.352 0.000 2.113 435 R HA -0.217 4.124 4.340 0.002 0.000 0.244 435 R C 2.014 178.462 176.300 0.248 0.000 1.142 435 R CA 1.171 57.440 56.100 0.282 0.000 0.953 435 R CB -0.379 30.014 30.300 0.156 0.000 0.860 435 R HN 0.088 nan 8.270 nan 0.000 0.438 436 I N 0.412 121.020 120.570 0.063 0.000 2.185 436 I HA -0.307 3.864 4.170 0.002 0.000 0.246 436 I C 1.650 177.749 176.117 -0.030 0.000 1.088 436 I CA 1.568 62.788 61.300 -0.133 0.000 1.347 436 I CB -0.350 37.284 38.000 -0.610 0.000 1.041 436 I HN 0.338 nan 8.210 nan 0.000 0.415 437 W N -0.939 120.485 121.300 0.207 0.000 2.436 437 W HA -0.156 4.505 4.660 0.002 0.000 0.284 437 W C 2.492 179.022 176.519 0.019 0.000 1.225 437 W CA 0.682 58.110 57.345 0.138 0.000 1.271 437 W CB -1.192 28.249 29.460 -0.033 0.000 1.114 437 W HN 0.211 nan 8.180 nan 0.000 0.559 438 Y N 0.396 120.865 120.300 0.282 0.000 2.421 438 Y HA -0.125 4.426 4.550 0.002 0.000 0.292 438 Y C 2.407 178.321 175.900 0.023 0.000 1.136 438 Y CA 1.038 59.219 58.100 0.135 0.000 1.255 438 Y CB -0.688 37.827 38.460 0.092 0.000 0.991 438 Y HN -0.174 nan 8.280 nan 0.000 0.552 439 I N -0.821 119.831 120.570 0.136 0.000 2.252 439 I HA -0.300 3.871 4.170 0.002 0.000 0.245 439 I C 2.559 178.542 176.117 -0.223 0.000 1.102 439 I CA 1.089 62.344 61.300 -0.075 0.000 1.385 439 I CB -0.535 37.493 38.000 0.046 0.000 1.064 439 I HN 0.182 nan 8.210 nan 0.000 0.414 440 A N 0.509 123.316 122.820 -0.021 0.000 1.902 440 A HA -0.230 4.091 4.320 0.002 0.000 0.217 440 A C 1.933 179.537 177.584 0.034 0.000 1.181 440 A CA 1.951 53.984 52.037 -0.006 0.000 0.623 440 A CB -0.573 18.432 19.000 0.008 0.000 0.818 440 A HN 0.328 nan 8.150 nan 0.000 0.443 441 D N 0.093 120.517 120.400 0.040 0.000 2.218 441 D HA -0.041 4.600 4.640 0.002 0.000 0.204 441 D C 2.149 178.457 176.300 0.013 0.000 0.976 441 D CA 1.283 55.307 54.000 0.039 0.000 0.853 441 D CB -0.324 40.486 40.800 0.016 0.000 0.939 441 D HN 0.441 nan 8.370 nan 0.000 0.481 442 A N 0.346 123.111 122.820 -0.091 0.000 1.902 442 A HA -0.163 4.158 4.320 0.002 0.000 0.217 442 A C 1.919 179.429 177.584 -0.125 0.000 1.181 442 A CA 0.964 52.900 52.037 -0.169 0.000 0.623 442 A CB -0.814 17.981 19.000 -0.341 0.000 0.818 442 A HN 0.109 nan 8.150 nan 0.000 0.443 443 F N 0.040 120.011 119.950 0.036 0.000 2.146 443 F HA -0.066 4.462 4.527 0.002 0.000 0.298 443 F C 2.482 178.294 175.800 0.021 0.000 1.096 443 F CA 1.341 59.351 58.000 0.018 0.000 1.275 443 F CB -0.684 38.309 39.000 -0.012 0.000 1.008 443 F HN 0.126 nan 8.300 nan 0.000 0.480 444 R N -0.013 120.604 120.500 0.194 0.000 2.152 444 R HA -0.015 4.326 4.340 0.002 0.000 0.232 444 R C 2.073 178.430 176.300 0.096 0.000 1.117 444 R CA 1.030 57.206 56.100 0.126 0.000 0.981 444 R CB -0.606 29.753 30.300 0.098 0.000 0.870 444 R HN 0.228 nan 8.270 nan 0.000 0.451 445 A N -0.060 122.811 122.820 0.086 0.000 2.238 445 A HA 0.259 4.580 4.320 0.002 0.000 0.208 445 A C 1.418 179.044 177.584 0.069 0.000 1.177 445 A CA 0.755 52.831 52.037 0.066 0.000 0.804 445 A CB 0.072 19.104 19.000 0.054 0.000 0.823 445 A HN 0.440 nan 8.150 nan 0.000 0.482 446 G N -1.561 107.296 108.800 0.096 0.000 2.179 446 G HA2 -0.164 3.797 3.960 0.002 0.000 0.220 446 G HA3 -0.164 3.797 3.960 0.002 0.000 0.220 446 G C 0.085 175.047 174.900 0.104 0.000 0.990 446 G CA 0.015 45.170 45.100 0.091 0.000 0.646 446 G HN 0.352 nan 8.290 nan 0.000 0.517 447 L N 2.260 123.550 121.223 0.111 0.000 2.397 447 L HA 0.527 4.868 4.340 0.002 0.000 0.271 447 L C 1.502 178.508 176.870 0.227 0.000 1.148 447 L CA 0.120 55.026 54.840 0.109 0.000 0.825 447 L CB 1.280 43.355 42.059 0.026 0.000 1.117 447 L HN 0.463 nan 8.230 nan 0.000 0.456 448 S N 1.584 117.400 115.700 0.193 0.000 2.645 448 S HA 0.214 4.685 4.470 0.002 0.000 0.266 448 S C 1.084 175.896 174.600 0.354 0.000 1.258 448 S CA -0.929 57.411 58.200 0.234 0.000 0.990 448 S CB 1.578 64.858 63.200 0.133 0.000 0.967 448 S HN 0.330 nan 8.310 nan 0.000 0.556 449 V N 1.242 121.344 119.914 0.313 0.000 2.287 449 V HA -0.170 3.951 4.120 0.002 0.000 0.248 449 V C 2.189 178.447 176.094 0.273 0.000 1.053 449 V CA 2.352 64.854 62.300 0.338 0.000 1.027 449 V CB -0.958 30.943 31.823 0.129 0.000 0.646 449 V HN 0.857 nan 8.190 nan 0.000 0.447 450 D N 0.331 120.838 120.400 0.179 0.000 2.178 450 D HA -0.094 4.547 4.640 0.002 0.000 0.202 450 D C 2.162 178.590 176.300 0.214 0.000 0.974 450 D CA 1.518 55.620 54.000 0.170 0.000 0.841 450 D CB -0.482 40.371 40.800 0.089 0.000 0.953 450 D HN 0.494 nan 8.370 nan 0.000 0.478 451 G N 0.534 109.437 108.800 0.171 0.000 2.408 451 G HA2 -0.160 3.801 3.960 0.002 0.000 0.217 451 G HA3 -0.160 3.801 3.960 0.002 0.000 0.217 451 G C 1.856 176.826 174.900 0.117 0.000 1.150 451 G CA 0.410 45.588 45.100 0.130 0.000 0.776 451 G HN 0.218 nan 8.290 nan 0.000 0.542 452 V N 0.481 120.473 119.914 0.130 0.000 2.358 452 V HA -0.112 4.009 4.120 0.002 0.000 0.246 452 V C 2.288 178.435 176.094 0.088 0.000 1.047 452 V CA 1.745 64.077 62.300 0.053 0.000 1.035 452 V CB -0.624 31.188 31.823 -0.018 0.000 0.658 452 V HN 0.405 nan 8.190 nan 0.000 0.452 453 F N 2.040 122.026 119.950 0.060 0.000 2.065 453 F HA -0.268 4.260 4.527 0.002 0.000 0.298 453 F C 2.350 178.172 175.800 0.038 0.000 1.112 453 F CA 2.284 60.315 58.000 0.052 0.000 1.212 453 F CB -0.422 38.616 39.000 0.064 0.000 0.975 453 F HN 0.194 nan 8.300 nan 0.000 0.476 454 N N 0.780 119.554 118.700 0.124 0.000 2.205 454 N HA -0.188 4.553 4.740 0.002 0.000 0.186 454 N C 1.891 177.337 175.510 -0.108 0.000 1.015 454 N CA 1.800 54.865 53.050 0.025 0.000 0.862 454 N CB -0.541 38.028 38.487 0.137 0.000 0.986 454 N HN 0.397 nan 8.380 nan 0.000 0.429 455 L N -0.216 120.957 121.223 -0.084 0.000 2.095 455 L HA -0.032 4.309 4.340 0.002 0.000 0.204 455 L C 2.256 179.045 176.870 -0.135 0.000 1.080 455 L CA 1.414 56.201 54.840 -0.088 0.000 0.759 455 L CB -0.485 41.540 42.059 -0.056 0.000 0.914 455 L HN 0.278 nan 8.230 nan 0.000 0.439 456 T N -5.071 109.375 114.554 -0.181 0.000 3.014 456 T HA 0.107 4.458 4.350 0.002 0.000 0.250 456 T C 0.862 175.399 174.700 -0.272 0.000 1.060 456 T CA 0.507 62.501 62.100 -0.177 0.000 1.040 456 T CB -0.097 68.698 68.868 -0.121 0.000 0.971 456 T HN 0.337 nan 8.240 nan 0.000 0.497 457 N N 0.244 118.617 118.700 -0.545 0.000 2.863 457 N HA -0.130 4.611 4.740 0.002 0.000 0.245 457 N C -0.659 174.662 175.510 -0.314 0.000 1.001 457 N CA 0.816 53.499 53.050 -0.612 0.000 0.901 457 N CB -1.837 36.480 38.487 -0.283 0.000 1.124 457 N HN 0.564 nan 8.380 nan 0.000 0.582 458 I N 1.244 121.669 120.570 -0.241 0.000 2.496 458 I HA 0.003 4.174 4.170 0.002 0.000 0.285 458 I C 0.884 177.115 176.117 0.190 0.000 1.080 458 I CA -0.074 61.132 61.300 -0.157 0.000 1.404 458 I CB 0.378 38.110 38.000 -0.447 0.000 1.403 458 I HN 0.141 nan 8.210 nan 0.000 0.539 459 D N 6.194 126.790 120.400 0.328 0.000 2.533 459 D HA -0.058 4.583 4.640 0.002 0.000 0.236 459 D C 1.197 177.722 176.300 0.375 0.000 1.137 459 D CA 0.286 54.536 54.000 0.417 0.000 0.867 459 D CB 0.793 41.799 40.800 0.343 0.000 1.170 459 D HN 0.480 nan 8.370 nan 0.000 0.474 460 R N 2.852 123.513 120.500 0.269 0.000 2.170 460 R HA -0.214 4.127 4.340 0.002 0.000 0.242 460 R C 1.895 178.267 176.300 0.119 0.000 1.145 460 R CA 1.304 57.503 56.100 0.165 0.000 0.984 460 R CB -0.178 30.133 30.300 0.018 0.000 0.869 460 R HN 0.653 nan 8.270 nan 0.000 0.455 461 W N 0.692 121.936 121.300 -0.093 0.000 2.325 461 W HA -0.211 4.450 4.660 0.002 0.000 0.299 461 W C 1.296 177.693 176.519 -0.204 0.000 1.215 461 W CA 1.517 58.732 57.345 -0.218 0.000 1.244 461 W CB -0.198 29.021 29.460 -0.402 0.000 1.140 461 W HN -0.033 nan 8.180 nan 0.000 0.523 462 F N -0.353 119.754 119.950 0.261 0.000 2.179 462 F HA -0.043 4.485 4.527 0.002 0.000 0.292 462 F C 2.259 178.123 175.800 0.106 0.000 1.089 462 F CA 1.242 59.357 58.000 0.192 0.000 1.295 462 F CB -1.287 37.937 39.000 0.373 0.000 1.041 462 F HN -0.260 nan 8.300 nan 0.000 0.487 463 L N 0.262 121.688 121.223 0.338 0.000 2.043 463 L HA -0.216 4.125 4.340 0.002 0.000 0.212 463 L C 2.572 179.494 176.870 0.086 0.000 1.075 463 L CA 1.527 56.548 54.840 0.301 0.000 0.752 463 L CB -1.263 41.013 42.059 0.362 0.000 0.891 463 L HN 0.178 nan 8.230 nan 0.000 0.432 464 V N -2.610 117.273 119.914 -0.051 0.000 2.490 464 V HA -0.273 3.848 4.120 0.002 0.000 0.250 464 V C 2.192 178.154 176.094 -0.221 0.000 1.061 464 V CA 1.538 63.725 62.300 -0.189 0.000 1.064 464 V CB -0.858 30.853 31.823 -0.188 0.000 0.670 464 V HN 0.525 nan 8.190 nan 0.000 0.461 465 Q N 0.258 119.946 119.800 -0.187 0.000 2.119 465 Q HA -0.001 4.340 4.340 0.002 0.000 0.201 465 Q C 2.326 178.257 176.000 -0.115 0.000 0.972 465 Q CA 2.049 57.751 55.803 -0.168 0.000 0.847 465 Q CB -0.266 28.355 28.738 -0.196 0.000 0.903 465 Q HN 0.667 nan 8.270 nan 0.000 0.433 466 I N 0.731 121.258 120.570 -0.071 0.000 2.286 466 I HA -0.231 3.940 4.170 0.002 0.000 0.245 466 I C 2.486 178.462 176.117 -0.234 0.000 1.104 466 I CA 1.031 62.235 61.300 -0.160 0.000 1.397 466 I CB -0.248 37.755 38.000 0.004 0.000 1.072 466 I HN 0.259 nan 8.210 nan 0.000 0.417 467 E N 1.347 121.268 120.200 -0.465 0.000 2.085 467 E HA -0.328 4.023 4.350 0.002 0.000 0.194 467 E C 2.079 178.475 176.600 -0.339 0.000 0.994 467 E CA 1.793 57.725 56.400 -0.780 0.000 0.801 467 E CB -0.026 28.944 29.700 -1.218 0.000 0.743 467 E HN 0.536 nan 8.360 nan 0.000 0.453 468 E N 0.299 120.358 120.200 -0.234 0.000 2.150 468 E HA -0.190 4.161 4.350 0.002 0.000 0.193 468 E C 2.155 178.753 176.600 -0.004 0.000 0.985 468 E CA 0.923 57.257 56.400 -0.109 0.000 0.814 468 E CB -0.131 29.510 29.700 -0.098 0.000 0.752 468 E HN 0.351 nan 8.360 nan 0.000 0.466 469 L N 0.349 121.569 121.223 -0.003 0.000 2.093 469 L HA -0.131 4.210 4.340 0.002 0.000 0.208 469 L C 2.536 179.529 176.870 0.206 0.000 1.085 469 L CA 0.609 55.548 54.840 0.166 0.000 0.755 469 L CB -0.308 41.776 42.059 0.041 0.000 0.904 469 L HN 0.116 nan 8.230 nan 0.000 0.435 470 V N -0.115 119.824 119.914 0.042 0.000 2.295 470 V HA -0.260 3.861 4.120 0.002 0.000 0.246 470 V C 2.729 178.865 176.094 0.069 0.000 1.049 470 V CA 1.609 63.952 62.300 0.072 0.000 1.024 470 V CB -0.629 31.236 31.823 0.071 0.000 0.648 470 V HN 0.438 nan 8.190 nan 0.000 0.447 471 R N -0.124 120.390 120.500 0.025 0.000 2.091 471 R HA -0.112 4.229 4.340 0.002 0.000 0.238 471 R C 2.231 178.559 176.300 0.046 0.000 1.136 471 R CA 1.400 57.511 56.100 0.017 0.000 0.959 471 R CB -1.009 29.280 30.300 -0.019 0.000 0.856 471 R HN 0.434 nan 8.270 nan 0.000 0.437 472 L N 0.995 122.270 121.223 0.086 0.000 2.083 472 L HA -0.158 4.183 4.340 0.002 0.000 0.209 472 L C 2.427 179.304 176.870 0.011 0.000 1.083 472 L CA 1.368 56.269 54.840 0.101 0.000 0.752 472 L CB -0.362 41.800 42.059 0.173 0.000 0.899 472 L HN 0.236 nan 8.230 nan 0.000 0.433 473 E N -0.092 120.111 120.200 0.006 0.000 2.106 473 E HA -0.216 4.135 4.350 0.002 0.000 0.192 473 E C 2.016 178.619 176.600 0.005 0.000 0.984 473 E CA 1.029 57.401 56.400 -0.047 0.000 0.806 473 E CB -0.034 29.709 29.700 0.072 0.000 0.750 473 E HN 0.571 nan 8.360 nan 0.000 0.458 474 E N 1.069 121.289 120.200 0.034 0.000 2.110 474 E HA -0.209 4.142 4.350 0.002 0.000 0.193 474 E C 2.077 178.695 176.600 0.029 0.000 0.988 474 E CA 0.903 57.322 56.400 0.032 0.000 0.804 474 E CB -0.068 29.651 29.700 0.032 0.000 0.745 474 E HN 0.100 nan 8.360 nan 0.000 0.458 475 K N 1.128 121.553 120.400 0.042 0.000 2.057 475 K HA -0.146 4.175 4.320 0.002 0.000 0.207 475 K C 2.091 178.753 176.600 0.103 0.000 1.049 475 K CA 1.179 57.495 56.287 0.049 0.000 0.931 475 K CB 0.014 32.536 32.500 0.036 0.000 0.714 475 K HN -0.049 nan 8.250 nan 0.000 0.440 476 V N 1.423 121.413 119.914 0.126 0.000 2.343 476 V HA -0.249 3.872 4.120 0.002 0.000 0.247 476 V C 2.475 178.594 176.094 0.042 0.000 1.051 476 V CA 2.008 64.362 62.300 0.090 0.000 1.036 476 V CB -0.726 31.050 31.823 -0.078 0.000 0.654 476 V HN 0.532 nan 8.190 nan 0.000 0.451 477 A N -0.852 121.981 122.820 0.022 0.000 1.969 477 A HA -0.233 4.088 4.320 0.002 0.000 0.218 477 A C 2.286 179.883 177.584 0.022 0.000 1.169 477 A CA 1.860 53.907 52.037 0.017 0.000 0.635 477 A CB -0.377 18.634 19.000 0.018 0.000 0.810 477 A HN 0.615 nan 8.150 nan 0.000 0.445 478 E N -0.128 120.087 120.200 0.025 0.000 2.051 478 E HA -0.113 4.238 4.350 0.002 0.000 0.189 478 E C 2.012 178.624 176.600 0.019 0.000 0.979 478 E CA 1.521 57.930 56.400 0.016 0.000 0.803 478 E CB -0.079 29.624 29.700 0.005 0.000 0.761 478 E HN 0.518 nan 8.360 nan 0.000 0.451 479 V N -1.659 118.276 119.914 0.034 0.000 2.871 479 V HA 0.173 4.294 4.120 0.002 0.000 0.256 479 V C 1.181 177.305 176.094 0.051 0.000 1.082 479 V CA 0.841 63.167 62.300 0.042 0.000 1.105 479 V CB -1.078 30.779 31.823 0.058 0.000 0.713 479 V HN 0.389 nan 8.190 nan 0.000 0.473 480 G N 0.339 109.168 108.800 0.048 0.000 2.740 480 G HA2 -0.364 3.597 3.960 0.002 0.000 0.250 480 G HA3 -0.364 3.597 3.960 0.002 0.000 0.250 480 G C 0.463 175.387 174.900 0.040 0.000 1.358 480 G CA 0.387 45.507 45.100 0.033 0.000 0.897 480 G HN 0.848 nan 8.290 nan 0.000 0.567 481 I N -0.164 120.419 120.570 0.022 0.000 2.335 481 I HA -0.159 4.012 4.170 0.002 0.000 0.251 481 I C 2.813 178.957 176.117 0.045 0.000 1.129 481 I CA 2.776 64.089 61.300 0.021 0.000 1.402 481 I CB -0.206 37.795 38.000 0.001 0.000 1.069 481 I HN 0.679 nan 8.210 nan 0.000 0.424 482 T N 0.276 114.857 114.554 0.045 0.000 2.720 482 T HA -0.144 4.207 4.350 0.002 0.000 0.268 482 T C 1.601 176.348 174.700 0.079 0.000 1.037 482 T CA 1.468 63.600 62.100 0.053 0.000 1.144 482 T CB -0.727 68.162 68.868 0.036 0.000 0.864 482 T HN 0.630 nan 8.240 nan 0.000 0.444 483 G N 0.818 109.673 108.800 0.091 0.000 2.679 483 G HA2 0.062 4.023 3.960 0.002 0.000 0.212 483 G HA3 0.062 4.023 3.960 0.002 0.000 0.212 483 G C 0.687 175.735 174.900 0.246 0.000 1.137 483 G CA -0.028 45.149 45.100 0.129 0.000 0.787 483 G HN 0.471 nan 8.290 nan 0.000 0.534 484 L N 2.399 123.741 121.223 0.198 0.000 2.672 484 L HA 0.162 4.503 4.340 0.002 0.000 0.238 484 L C 0.500 177.527 176.870 0.262 0.000 1.392 484 L CA -0.772 54.187 54.840 0.198 0.000 1.238 484 L CB -1.102 40.992 42.059 0.059 0.000 1.548 484 L HN 0.277 nan 8.230 nan 0.000 0.423 485 N N -0.281 118.550 118.700 0.220 0.000 2.326 485 N HA 0.148 4.889 4.740 0.002 0.000 0.239 485 N C 1.277 176.724 175.510 -0.106 0.000 1.301 485 N CA 0.286 53.373 53.050 0.060 0.000 0.909 485 N CB 0.818 39.310 38.487 0.008 0.000 1.156 485 N HN 0.165 nan 8.380 nan 0.000 0.462 486 A N 0.135 122.567 122.820 -0.647 0.000 1.940 486 A HA -0.236 4.085 4.320 0.002 0.000 0.219 486 A C 1.593 179.048 177.584 -0.213 0.000 1.176 486 A CA 1.819 53.411 52.037 -0.741 0.000 0.631 486 A CB -0.829 17.617 19.000 -0.924 0.000 0.814 486 A HN 0.805 nan 8.150 nan 0.000 0.446 487 D N -1.307 119.020 120.400 -0.122 0.000 2.097 487 D HA -0.108 4.533 4.640 0.002 0.000 0.195 487 D C 1.619 177.981 176.300 0.104 0.000 0.989 487 D CA 1.152 55.145 54.000 -0.010 0.000 0.827 487 D CB -0.398 40.399 40.800 -0.005 0.000 0.966 487 D HN 0.394 nan 8.370 nan 0.000 0.456 488 F N 1.143 121.054 119.950 -0.066 0.000 2.146 488 F HA -0.067 4.460 4.527 0.002 0.000 0.298 488 F C 2.013 177.790 175.800 -0.038 0.000 1.096 488 F CA 0.489 58.462 58.000 -0.046 0.000 1.275 488 F CB -0.736 38.238 39.000 -0.043 0.000 1.008 488 F HN -0.093 nan 8.300 nan 0.000 0.480 489 L N 1.043 122.204 121.223 -0.102 0.000 2.042 489 L HA -0.158 4.183 4.340 0.002 0.000 0.210 489 L C 2.654 179.425 176.870 -0.166 0.000 1.076 489 L CA 1.994 56.706 54.840 -0.212 0.000 0.749 489 L CB -0.931 41.132 42.059 0.006 0.000 0.893 489 L HN 0.208 nan 8.230 nan 0.000 0.432 490 R N -0.990 119.467 120.500 -0.071 0.000 2.092 490 R HA -0.207 4.134 4.340 0.002 0.000 0.231 490 R C 2.362 178.625 176.300 -0.061 0.000 1.119 490 R CA 1.659 57.718 56.100 -0.069 0.000 0.970 490 R CB -0.344 29.956 30.300 0.001 0.000 0.864 490 R HN 0.636 nan 8.270 nan 0.000 0.440 491 Q N 0.601 120.403 119.800 0.003 0.000 2.084 491 Q HA -0.178 4.163 4.340 0.002 0.000 0.202 491 Q C 2.114 178.130 176.000 0.027 0.000 0.978 491 Q CA 1.681 57.519 55.803 0.058 0.000 0.844 491 Q CB -0.089 28.755 28.738 0.177 0.000 0.898 491 Q HN 0.465 nan 8.270 nan 0.000 0.426 492 L N 0.541 121.714 121.223 -0.084 0.000 2.017 492 L HA -0.215 4.126 4.340 0.002 0.000 0.208 492 L C 2.637 179.538 176.870 0.051 0.000 1.073 492 L CA 1.067 55.889 54.840 -0.028 0.000 0.745 492 L CB -0.474 41.352 42.059 -0.389 0.000 0.894 492 L HN 0.115 nan 8.230 nan 0.000 0.432 493 K N 0.449 120.728 120.400 -0.202 0.000 2.057 493 K HA -0.156 4.165 4.320 0.002 0.000 0.207 493 K C 2.130 178.555 176.600 -0.291 0.000 1.049 493 K CA 1.366 57.375 56.287 -0.462 0.000 0.931 493 K CB -0.451 31.365 32.500 -1.141 0.000 0.714 493 K HN 0.267 nan 8.250 nan 0.000 0.440 494 R N 0.963 121.382 120.500 -0.135 0.000 2.200 494 R HA -0.056 4.285 4.340 0.002 0.000 0.234 494 R C 1.628 177.965 176.300 0.062 0.000 1.127 494 R CA 0.985 57.112 56.100 0.046 0.000 0.989 494 R CB 0.058 30.404 30.300 0.078 0.000 0.869 494 R HN 0.079 nan 8.270 nan 0.000 0.459 495 K N -0.692 119.739 120.400 0.052 0.000 2.417 495 K HA 0.128 4.449 4.320 0.002 0.000 0.196 495 K C 0.804 177.336 176.600 -0.114 0.000 1.023 495 K CA 0.758 57.053 56.287 0.013 0.000 1.122 495 K CB 1.150 33.696 32.500 0.077 0.000 0.850 495 K HN 0.372 nan 8.250 nan 0.000 0.521 496 G N 1.702 110.470 108.800 -0.054 0.000 2.143 496 G HA2 -0.258 3.703 3.960 0.002 0.000 0.249 496 G HA3 -0.258 3.703 3.960 0.002 0.000 0.249 496 G C -0.085 174.734 174.900 -0.136 0.000 0.981 496 G CA -0.414 44.642 45.100 -0.073 0.000 0.665 496 G HN 0.200 nan 8.290 nan 0.000 0.528 497 F N 1.739 121.679 119.950 -0.016 0.000 2.538 497 F HA 0.520 5.048 4.527 0.002 0.000 0.371 497 F C 1.202 176.984 175.800 -0.030 0.000 1.087 497 F CA 0.385 58.374 58.000 -0.017 0.000 1.250 497 F CB 0.741 39.705 39.000 -0.059 0.000 1.110 497 F HN 0.371 nan 8.300 nan 0.000 0.570 498 A N 3.056 125.990 122.820 0.189 0.000 2.332 498 A HA 0.178 4.499 4.320 0.002 0.000 0.258 498 A C 1.177 178.818 177.584 0.096 0.000 1.087 498 A CA -0.601 51.507 52.037 0.118 0.000 0.802 498 A CB 0.262 19.319 19.000 0.095 0.000 1.042 498 A HN 0.763 nan 8.150 nan 0.000 0.489 499 D N 1.018 121.453 120.400 0.058 0.000 2.178 499 D HA -0.109 4.532 4.640 0.002 0.000 0.201 499 D C 2.107 178.421 176.300 0.023 0.000 0.980 499 D CA 1.842 55.857 54.000 0.024 0.000 0.842 499 D CB -0.295 40.517 40.800 0.020 0.000 0.948 499 D HN 0.617 nan 8.370 nan 0.000 0.472 500 A N 0.699 123.543 122.820 0.040 0.000 1.930 500 A HA -0.161 4.160 4.320 0.002 0.000 0.217 500 A C 2.201 179.813 177.584 0.046 0.000 1.175 500 A CA 1.545 53.603 52.037 0.036 0.000 0.627 500 A CB -0.307 18.716 19.000 0.038 0.000 0.815 500 A HN 0.069 nan 8.150 nan 0.000 0.443 501 R N 0.027 120.576 120.500 0.081 0.000 2.062 501 R HA 0.058 4.399 4.340 0.002 0.000 0.229 501 R C 1.942 178.278 176.300 0.059 0.000 1.128 501 R CA 1.423 57.592 56.100 0.115 0.000 0.960 501 R CB -0.707 29.732 30.300 0.231 0.000 0.855 501 R HN 0.491 nan 8.270 nan 0.000 0.432 502 L N 0.014 121.248 121.223 0.019 0.000 2.012 502 L HA -0.167 4.174 4.340 0.002 0.000 0.210 502 L C 2.533 179.373 176.870 -0.049 0.000 1.073 502 L CA 1.546 56.340 54.840 -0.076 0.000 0.748 502 L CB -0.853 41.139 42.059 -0.112 0.000 0.891 502 L HN 0.356 nan 8.230 nan 0.000 0.431 503 A N 0.306 123.112 122.820 -0.023 0.000 1.892 503 A HA -0.266 4.055 4.320 0.002 0.000 0.218 503 A C 2.324 179.903 177.584 -0.008 0.000 1.188 503 A CA 2.083 54.110 52.037 -0.017 0.000 0.631 503 A CB -0.462 18.532 19.000 -0.009 0.000 0.822 503 A HN 0.356 nan 8.150 nan 0.000 0.447 504 K N -0.709 119.693 120.400 0.004 0.000 2.147 504 K HA -0.012 4.309 4.320 0.002 0.000 0.205 504 K C 1.775 178.379 176.600 0.006 0.000 1.049 504 K CA 1.281 57.573 56.287 0.010 0.000 0.936 504 K CB -0.305 32.209 32.500 0.024 0.000 0.722 504 K HN 0.488 nan 8.250 nan 0.000 0.446 505 L N -0.128 121.094 121.223 -0.002 0.000 2.179 505 L HA -0.046 4.295 4.340 0.002 0.000 0.208 505 L C 2.181 179.045 176.870 -0.009 0.000 1.096 505 L CA 0.760 55.596 54.840 -0.006 0.000 0.779 505 L CB -0.195 41.847 42.059 -0.029 0.000 0.922 505 L HN 0.111 nan 8.230 nan 0.000 0.443 506 A N -0.312 122.497 122.820 -0.018 0.000 2.251 506 A HA 0.306 4.627 4.320 0.002 0.000 0.209 506 A C 1.619 179.199 177.584 -0.006 0.000 1.187 506 A CA 0.540 52.570 52.037 -0.012 0.000 0.823 506 A CB -0.581 18.406 19.000 -0.022 0.000 0.846 506 A HN 0.444 nan 8.150 nan 0.000 0.486 507 G N -0.348 108.449 108.800 -0.004 0.000 2.323 507 G HA2 -0.091 3.870 3.960 0.002 0.000 0.292 507 G HA3 -0.091 3.870 3.960 0.002 0.000 0.292 507 G C 0.265 175.162 174.900 -0.005 0.000 1.040 507 G CA 0.812 45.911 45.100 -0.002 0.000 0.942 507 G HN 1.714 nan 8.290 nan 0.000 0.506 508 V N -4.418 115.490 119.914 -0.009 0.000 3.181 508 V HA 0.905 5.026 4.120 0.002 0.000 0.314 508 V C 0.535 176.623 176.094 -0.011 0.000 1.173 508 V CA -2.015 60.279 62.300 -0.011 0.000 1.052 508 V CB 1.364 33.177 31.823 -0.017 0.000 1.123 508 V HN 0.310 nan 8.190 nan 0.000 0.454 509 R N 0.382 120.874 120.500 -0.012 0.000 2.490 509 R HA 0.298 4.639 4.340 0.002 0.000 0.278 509 R C 1.361 177.654 176.300 -0.012 0.000 1.069 509 R CA 0.228 56.322 56.100 -0.010 0.000 1.080 509 R CB 0.896 31.190 30.300 -0.010 0.000 1.030 509 R HN 0.981 nan 8.270 nan 0.000 0.491 510 E N 2.431 122.626 120.200 -0.007 0.000 2.209 510 E HA -0.244 4.107 4.350 0.002 0.000 0.196 510 E C 1.226 177.820 176.600 -0.009 0.000 0.993 510 E CA 1.497 57.894 56.400 -0.005 0.000 0.819 510 E CB 0.070 29.772 29.700 0.004 0.000 0.745 510 E HN 0.725 nan 8.360 nan 0.000 0.477 511 A N 0.960 123.774 122.820 -0.009 0.000 1.969 511 A HA -0.181 4.140 4.320 0.002 0.000 0.218 511 A C 1.907 179.478 177.584 -0.022 0.000 1.169 511 A CA 1.377 53.408 52.037 -0.010 0.000 0.635 511 A CB -0.366 18.628 19.000 -0.008 0.000 0.810 511 A HN 0.360 nan 8.150 nan 0.000 0.445 512 E N -0.259 119.925 120.200 -0.028 0.000 2.077 512 E HA -0.161 4.190 4.350 0.002 0.000 0.193 512 E C 1.820 178.383 176.600 -0.062 0.000 0.989 512 E CA 1.157 57.532 56.400 -0.042 0.000 0.800 512 E CB -0.181 29.498 29.700 -0.036 0.000 0.746 512 E HN 0.538 nan 8.360 nan 0.000 0.452 513 I N 0.815 121.352 120.570 -0.054 0.000 2.226 513 I HA -0.252 3.919 4.170 0.002 0.000 0.245 513 I C 2.505 178.577 176.117 -0.076 0.000 1.100 513 I CA 1.332 62.590 61.300 -0.070 0.000 1.374 513 I CB -0.928 37.039 38.000 -0.054 0.000 1.057 513 I HN 0.108 nan 8.210 nan 0.000 0.413 514 R N 1.329 121.803 120.500 -0.043 0.000 2.092 514 R HA -0.168 4.173 4.340 0.002 0.000 0.231 514 R C 2.246 178.520 176.300 -0.043 0.000 1.119 514 R CA 1.348 57.433 56.100 -0.025 0.000 0.970 514 R CB 0.035 30.339 30.300 0.007 0.000 0.864 514 R HN 0.232 nan 8.270 nan 0.000 0.440 515 K N 0.162 120.527 120.400 -0.057 0.000 2.057 515 K HA -0.133 4.188 4.320 0.002 0.000 0.206 515 K C 1.963 178.478 176.600 -0.143 0.000 1.050 515 K CA 1.195 57.441 56.287 -0.068 0.000 0.935 515 K CB -0.196 32.266 32.500 -0.064 0.000 0.715 515 K HN 0.076 nan 8.250 nan 0.000 0.439 516 L N 1.430 122.531 121.223 -0.205 0.000 2.127 516 L HA -0.177 4.164 4.340 0.002 0.000 0.211 516 L C 1.978 178.559 176.870 -0.481 0.000 1.089 516 L CA 1.646 56.247 54.840 -0.397 0.000 0.757 516 L CB -0.097 41.748 42.059 -0.357 0.000 0.899 516 L HN 0.064 nan 8.230 nan 0.000 0.434 517 R N -0.972 119.375 120.500 -0.254 0.000 2.119 517 R HA -0.080 4.261 4.340 0.002 0.000 0.222 517 R C 1.822 177.980 176.300 -0.236 0.000 1.088 517 R CA 1.057 57.033 56.100 -0.206 0.000 0.984 517 R CB -0.353 29.850 30.300 -0.161 0.000 0.884 517 R HN 0.445 nan 8.270 nan 0.000 0.447 518 D N 0.797 121.112 120.400 -0.141 0.000 2.117 518 D HA -0.183 4.458 4.640 0.002 0.000 0.197 518 D C 1.855 178.163 176.300 0.014 0.000 0.987 518 D CA 1.120 55.128 54.000 0.013 0.000 0.829 518 D CB 0.041 40.885 40.800 0.073 0.000 0.961 518 D HN 0.250 nan 8.370 nan 0.000 0.460 519 Q N -0.436 119.312 119.800 -0.088 0.000 2.030 519 Q HA -0.197 4.144 4.340 0.002 0.000 0.204 519 Q C 1.679 177.732 176.000 0.089 0.000 0.986 519 Q CA 1.297 57.063 55.803 -0.062 0.000 0.843 519 Q CB -0.029 28.562 28.738 -0.244 0.000 0.904 519 Q HN 0.355 nan 8.270 nan 0.000 0.420 520 Y N 0.245 120.539 120.300 -0.010 0.000 2.583 520 Y HA 0.011 4.562 4.550 0.002 0.000 0.293 520 Y C 0.371 176.271 175.900 0.000 0.000 1.157 520 Y CA 0.716 58.812 58.100 -0.007 0.000 1.315 520 Y CB -0.247 38.199 38.460 -0.024 0.000 1.021 520 Y HN 0.261 nan 8.280 nan 0.000 0.536 521 D N -0.423 120.061 120.400 0.139 0.000 2.746 521 D HA -0.200 4.441 4.640 0.002 0.000 0.236 521 D C -0.778 175.557 176.300 0.057 0.000 1.129 521 D CA 0.247 54.333 54.000 0.143 0.000 0.691 521 D CB -1.323 39.583 40.800 0.176 0.000 1.077 521 D HN 0.222 nan 8.370 nan 0.000 0.432 522 L N 2.356 123.497 121.223 -0.136 0.000 2.314 522 L HA 0.437 4.778 4.340 0.002 0.000 0.275 522 L C -0.803 175.962 176.870 -0.175 0.000 1.068 522 L CA -0.329 54.492 54.840 -0.032 0.000 0.894 522 L CB 0.547 42.657 42.059 0.084 0.000 1.275 522 L HN 0.109 nan 8.230 nan 0.000 0.432 523 H N 3.834 123.026 119.070 0.202 0.000 2.731 523 H HA 0.613 5.170 4.556 0.002 0.000 0.368 523 H C -2.511 172.632 175.328 -0.308 0.000 1.168 523 H CA -1.868 54.213 56.048 0.055 0.000 1.181 523 H CB 1.734 31.505 29.762 0.013 0.000 1.743 523 H HN 0.364 nan 8.280 nan 0.000 0.547 524 P HA 0.114 nan 4.420 nan 0.000 0.278 524 P C -0.186 176.731 177.300 -0.638 0.000 1.258 524 P CA -0.527 61.896 63.100 -1.129 0.000 0.811 524 P CB 1.085 32.117 31.700 -1.114 0.000 1.063 525 V N -1.683 117.879 119.914 -0.588 0.000 3.093 525 V HA 0.571 4.692 4.120 0.002 0.000 0.320 525 V C -1.042 174.699 176.094 -0.588 0.000 1.093 525 V CA -0.880 61.186 62.300 -0.390 0.000 1.016 525 V CB 0.942 32.660 31.823 -0.176 0.000 1.096 525 V HN 0.317 nan 8.190 nan 0.000 0.452 526 Y N 0.923 121.146 120.300 -0.129 0.000 2.341 526 Y HA 0.703 5.254 4.550 0.002 0.000 0.338 526 Y C 0.344 176.076 175.900 -0.280 0.000 0.965 526 Y CA -0.773 57.218 58.100 -0.180 0.000 1.108 526 Y CB 1.795 40.246 38.460 -0.014 0.000 1.180 526 Y HN 0.499 nan 8.280 nan 0.000 0.458 527 K N 3.165 123.293 120.400 -0.454 0.000 2.166 527 K HA 0.579 4.899 4.320 0.002 0.000 0.245 527 K C -0.381 175.986 176.600 -0.388 0.000 0.967 527 K CA -0.917 55.104 56.287 -0.444 0.000 0.863 527 K CB 1.900 34.072 32.500 -0.547 0.000 1.107 527 K HN 0.706 nan 8.250 nan 0.000 0.436 528 R N 0.302 120.715 120.500 -0.145 0.000 2.604 528 R HA 0.433 4.774 4.340 0.002 0.000 0.287 528 R C -0.378 175.934 176.300 0.021 0.000 0.970 528 R CA -1.011 55.047 56.100 -0.070 0.000 0.946 528 R CB 1.508 31.790 30.300 -0.030 0.000 1.127 528 R HN 0.201 nan 8.270 nan 0.000 0.473 529 V N 2.541 122.398 119.914 -0.095 0.000 2.583 529 V HA 0.021 4.142 4.120 0.002 0.000 0.287 529 V C 0.249 176.371 176.094 0.048 0.000 1.051 529 V CA 0.500 62.738 62.300 -0.103 0.000 1.010 529 V CB 1.213 32.658 31.823 -0.629 0.000 0.988 529 V HN 0.972 nan 8.190 nan 0.000 0.478 530 D N 0.546 121.036 120.400 0.151 0.000 2.497 530 D HA 0.037 4.678 4.640 0.002 0.000 0.256 530 D C 0.929 177.353 176.300 0.208 0.000 1.273 530 D CA 0.786 54.871 54.000 0.142 0.000 0.812 530 D CB 0.077 40.952 40.800 0.126 0.000 1.190 530 D HN 0.771 nan 8.370 nan 0.000 0.524 531 T N -2.012 112.701 114.554 0.265 0.000 8.466 531 T HA -0.360 3.991 4.350 0.002 0.000 0.319 531 T C 1.107 176.040 174.700 0.388 0.000 2.022 531 T CA 1.421 63.740 62.100 0.365 0.000 3.147 531 T CB -2.949 66.266 68.868 0.578 0.000 2.153 531 T HN 0.937 nan 8.240 nan 0.000 1.109 532 C N 0.656 120.126 119.300 0.285 0.000 3.098 532 C HA 0.886 5.347 4.460 0.002 0.000 0.265 532 C C 1.616 176.670 174.990 0.106 0.000 1.572 532 C CA -0.365 58.808 59.018 0.258 0.000 1.788 532 C CB -0.549 27.397 27.740 0.344 0.000 2.982 532 C HN 2.217 nan 8.230 nan 0.000 0.532 533 A N 0.240 123.101 122.820 0.069 0.000 2.745 533 A HA 0.250 4.571 4.320 0.002 0.000 0.296 533 A C 1.584 179.165 177.584 -0.005 0.000 1.500 533 A CA 1.483 53.529 52.037 0.014 0.000 0.766 533 A CB -1.869 17.116 19.000 -0.026 0.000 1.030 533 A HN 2.818 nan 8.150 nan 0.000 0.489 534 A N -2.028 120.803 122.820 0.018 0.000 2.945 534 A HA -0.335 3.986 4.320 0.002 0.000 0.263 534 A C 1.225 178.722 177.584 -0.144 0.000 1.293 534 A CA 2.358 54.380 52.037 -0.024 0.000 0.944 534 A CB -2.253 16.741 19.000 -0.010 0.000 1.093 534 A HN 1.900 nan 8.150 nan 0.000 0.786 535 E N -1.587 118.460 120.200 -0.254 0.000 2.204 535 E HA 0.073 4.424 4.350 0.002 0.000 0.194 535 E C 0.129 176.087 176.600 -1.069 0.000 0.989 535 E CA 0.951 56.963 56.400 -0.645 0.000 0.824 535 E CB 0.007 29.241 29.700 -0.778 0.000 0.756 535 E HN 0.763 nan 8.360 nan 0.000 0.477 536 F N -0.538 119.401 119.950 -0.019 0.000 2.563 536 F HA 0.544 5.072 4.527 0.002 0.000 0.316 536 F C 0.312 176.099 175.800 -0.022 0.000 1.076 536 F CA -1.121 56.859 58.000 -0.033 0.000 0.921 536 F CB 1.363 40.323 39.000 -0.067 0.000 1.209 536 F HN -0.158 nan 8.300 nan 0.000 0.462 537 A N 0.870 123.780 122.820 0.150 0.000 2.346 537 A HA 0.584 4.905 4.320 0.002 0.000 0.255 537 A C -0.007 177.624 177.584 0.079 0.000 1.113 537 A CA 0.050 52.135 52.037 0.080 0.000 0.798 537 A CB 0.461 19.494 19.000 0.054 0.000 1.073 537 A HN 0.745 nan 8.150 nan 0.000 0.502 538 T N -1.572 113.007 114.554 0.042 0.000 2.903 538 T HA 0.463 4.814 4.350 0.002 0.000 0.299 538 T C -0.621 174.082 174.700 0.004 0.000 1.093 538 T CA -0.557 61.554 62.100 0.019 0.000 1.002 538 T CB 1.344 70.223 68.868 0.017 0.000 1.127 538 T HN 0.515 nan 8.240 nan 0.000 0.488 539 D N 1.738 122.133 120.400 -0.009 0.000 2.433 539 D HA 0.183 4.824 4.640 0.002 0.000 0.211 539 D C 0.084 176.377 176.300 -0.010 0.000 1.114 539 D CA 0.230 54.226 54.000 -0.007 0.000 0.837 539 D CB 0.796 41.592 40.800 -0.006 0.000 0.984 539 D HN 0.489 nan 8.370 nan 0.000 0.505 540 T N 0.559 115.097 114.554 -0.025 0.000 2.882 540 T HA 0.513 4.864 4.350 0.002 0.000 0.287 540 T C 0.293 174.993 174.700 0.001 0.000 0.992 540 T CA -0.496 61.587 62.100 -0.028 0.000 1.076 540 T CB 2.160 70.956 68.868 -0.121 0.000 0.961 540 T HN -0.069 nan 8.240 nan 0.000 0.490 541 A N 3.136 125.966 122.820 0.017 0.000 3.158 541 A HA 0.405 4.726 4.320 0.002 0.000 0.319 541 A C -0.791 176.818 177.584 0.042 0.000 1.204 541 A CA -0.508 51.523 52.037 -0.010 0.000 0.992 541 A CB -0.338 18.630 19.000 -0.053 0.000 1.110 541 A HN 0.720 nan 8.150 nan 0.000 0.519 542 Y N 2.517 122.779 120.300 -0.064 0.000 2.417 542 Y HA 0.727 5.278 4.550 0.002 0.000 0.336 542 Y C -0.565 175.325 175.900 -0.018 0.000 0.961 542 Y CA -1.789 56.310 58.100 -0.002 0.000 1.215 542 Y CB 0.497 39.001 38.460 0.073 0.000 1.120 542 Y HN 0.550 nan 8.280 nan 0.000 0.499 543 M N 6.609 126.275 119.600 0.111 0.000 2.727 543 M HA 0.556 5.037 4.480 0.002 0.000 0.300 543 M C -1.556 174.853 176.300 0.182 0.000 1.246 543 M CA -1.086 54.195 55.300 -0.032 0.000 0.835 543 M CB 2.878 35.354 32.600 -0.206 0.000 1.755 543 M HN 0.499 nan 8.290 nan 0.000 0.473 544 Y N -1.878 118.487 120.300 0.108 0.000 2.588 544 Y HA 0.843 5.394 4.550 0.002 0.000 0.343 544 Y C -0.675 175.350 175.900 0.207 0.000 1.065 544 Y CA -1.390 56.818 58.100 0.180 0.000 1.038 544 Y CB 0.842 39.288 38.460 -0.022 0.000 1.297 544 Y HN 0.731 nan 8.280 nan 0.000 0.467 545 S N 0.948 116.767 115.700 0.199 0.000 2.610 545 S HA 0.772 5.243 4.470 0.002 0.000 0.273 545 S C -0.341 174.196 174.600 -0.105 0.000 1.274 545 S CA -0.096 57.945 58.200 -0.266 0.000 1.023 545 S CB 1.704 64.729 63.200 -0.290 0.000 0.962 545 S HN 1.087 nan 8.310 nan 0.000 0.523 546 T N 0.398 114.784 114.554 -0.281 0.000 2.886 546 T HA 0.387 4.738 4.350 0.002 0.000 0.330 546 T C -2.129 172.440 174.700 -0.219 0.000 1.488 546 T CA -0.610 61.450 62.100 -0.066 0.000 1.054 546 T CB 0.626 69.549 68.868 0.092 0.000 1.348 546 T HN 0.566 nan 8.240 nan 0.000 0.489 547 Y N 2.589 122.880 120.300 -0.015 0.000 2.691 547 Y HA 0.506 5.056 4.550 0.002 0.000 0.338 547 Y C 0.920 176.823 175.900 0.004 0.000 1.148 547 Y CA -0.155 57.938 58.100 -0.012 0.000 1.430 547 Y CB 0.489 38.954 38.460 0.009 0.000 1.303 547 Y HN 0.600 nan 8.280 nan 0.000 0.499 548 E N 0.133 120.342 120.200 0.014 0.000 2.524 548 E HA 0.250 4.601 4.350 0.002 0.000 0.219 548 E C 0.395 177.005 176.600 0.017 0.000 0.776 548 E CA -0.483 55.936 56.400 0.033 0.000 0.944 548 E CB 1.059 30.779 29.700 0.034 0.000 1.719 548 E HN 0.231 nan 8.360 nan 0.000 0.384 549 E N 0.622 120.831 120.200 0.016 0.000 2.094 549 E HA 0.078 4.429 4.350 0.002 0.000 0.193 549 E C -0.379 176.224 176.600 0.005 0.000 0.950 549 E CA 0.512 56.922 56.400 0.017 0.000 0.842 549 E CB 0.220 29.933 29.700 0.022 0.000 0.816 549 E HN 0.320 nan 8.360 nan 0.000 0.465 550 E N 0.252 120.452 120.200 0.000 0.000 2.259 550 E HA 0.172 4.523 4.350 0.002 0.000 0.281 550 E C -1.088 175.504 176.600 -0.014 0.000 1.027 550 E CA -0.258 56.141 56.400 -0.002 0.000 0.838 550 E CB 0.956 30.658 29.700 0.002 0.000 1.066 550 E HN 0.089 nan 8.360 nan 0.000 0.401 551 C N 4.619 123.919 119.300 -0.000 0.000 2.350 551 C HA 0.297 4.758 4.460 0.002 0.000 0.348 551 C C 0.648 175.650 174.990 0.020 0.000 1.260 551 C CA -0.263 58.763 59.018 0.013 0.000 1.966 551 C CB 0.042 27.808 27.740 0.043 0.000 2.380 551 C HN 0.926 nan 8.230 nan 0.000 0.535 552 E N 2.652 122.866 120.200 0.024 0.000 2.538 552 E HA 0.120 4.471 4.350 0.002 0.000 0.207 552 E C 1.579 178.192 176.600 0.022 0.000 1.002 552 E CA 0.240 56.646 56.400 0.011 0.000 0.952 552 E CB 0.509 30.198 29.700 -0.019 0.000 1.031 552 E HN 0.829 nan 8.360 nan 0.000 0.476 553 A N 1.808 124.669 122.820 0.067 0.000 1.865 553 A HA -0.239 4.082 4.320 0.002 0.000 0.217 553 A C 1.083 178.680 177.584 0.021 0.000 1.191 553 A CA 1.483 53.547 52.037 0.045 0.000 0.623 553 A CB -0.595 18.460 19.000 0.092 0.000 0.826 553 A HN 0.466 nan 8.150 nan 0.000 0.444 554 N N -0.956 117.761 118.700 0.029 0.000 2.714 554 N HA -0.110 4.631 4.740 0.002 0.000 0.253 554 N C -2.555 172.966 175.510 0.018 0.000 1.024 554 N CA 0.263 53.325 53.050 0.019 0.000 0.726 554 N CB -0.936 37.557 38.487 0.011 0.000 0.908 554 N HN 0.375 nan 8.380 nan 0.000 0.542 555 P HA 0.056 nan 4.420 nan 0.000 0.269 555 P C -0.399 176.912 177.300 0.018 0.000 1.217 555 P CA 0.123 63.238 63.100 0.025 0.000 0.783 555 P CB 0.668 32.382 31.700 0.022 0.000 0.898 556 S N 0.148 115.860 115.700 0.019 0.000 2.610 556 S HA 0.330 4.801 4.470 0.002 0.000 0.273 556 S C 1.181 175.788 174.600 0.013 0.000 1.274 556 S CA -0.257 57.952 58.200 0.015 0.000 1.023 556 S CB 0.671 63.881 63.200 0.017 0.000 0.962 556 S HN 0.648 nan 8.310 nan 0.000 0.523 557 T N -2.152 112.407 114.554 0.009 0.000 2.990 557 T HA 0.104 4.455 4.350 0.002 0.000 0.250 557 T C 0.916 175.619 174.700 0.005 0.000 1.041 557 T CA -0.101 62.003 62.100 0.006 0.000 1.010 557 T CB -0.081 68.790 68.868 0.005 0.000 1.003 557 T HN 0.370 nan 8.240 nan 0.000 0.499 558 D N 2.268 122.671 120.400 0.005 0.000 2.173 558 D HA -0.041 4.600 4.640 0.002 0.000 0.205 558 D C 1.085 177.384 176.300 -0.001 0.000 1.002 558 D CA 1.085 55.086 54.000 0.001 0.000 0.881 558 D CB 0.077 40.879 40.800 0.003 0.000 1.062 558 D HN 0.325 nan 8.370 nan 0.000 0.459 559 R N 1.121 121.623 120.500 0.004 0.000 2.560 559 R HA 0.250 4.591 4.340 0.002 0.000 0.270 559 R C 0.115 176.429 176.300 0.024 0.000 1.074 559 R CA -0.285 55.817 56.100 0.004 0.000 1.140 559 R CB 0.402 30.710 30.300 0.013 0.000 1.073 559 R HN 0.301 nan 8.270 nan 0.000 0.527 560 E N 2.312 122.529 120.200 0.028 0.000 2.290 560 E HA 0.123 4.474 4.350 0.002 0.000 0.277 560 E C -0.585 176.116 176.600 0.169 0.000 1.035 560 E CA 0.001 56.456 56.400 0.091 0.000 0.873 560 E CB 0.845 30.614 29.700 0.116 0.000 1.029 560 E HN 0.186 nan 8.360 nan 0.000 0.419 561 K N 2.824 123.298 120.400 0.124 0.000 2.164 561 K HA 0.500 4.821 4.320 0.002 0.000 0.258 561 K C -0.400 176.238 176.600 0.063 0.000 0.951 561 K CA -0.703 55.647 56.287 0.105 0.000 0.844 561 K CB 1.622 34.155 32.500 0.056 0.000 1.099 561 K HN 0.346 nan 8.250 nan 0.000 0.435 562 I N 3.167 123.754 120.570 0.029 0.000 2.389 562 I HA 0.298 4.469 4.170 0.002 0.000 0.288 562 I C -0.548 175.539 176.117 -0.051 0.000 0.999 562 I CA -0.562 60.695 61.300 -0.071 0.000 1.129 562 I CB 1.601 39.470 38.000 -0.219 0.000 1.288 562 I HN 0.632 nan 8.210 nan 0.000 0.444 563 M N 6.399 125.960 119.600 -0.065 0.000 2.238 563 M HA 0.482 4.963 4.480 0.002 0.000 0.350 563 M C -1.223 175.034 176.300 -0.073 0.000 1.138 563 M CA -0.575 54.693 55.300 -0.053 0.000 1.040 563 M CB 1.653 34.216 32.600 -0.061 0.000 1.639 563 M HN 0.285 nan 8.290 nan 0.000 0.451 564 V N 6.521 126.406 119.914 -0.048 0.000 2.378 564 V HA 0.404 4.525 4.120 0.002 0.000 0.288 564 V C -0.397 175.682 176.094 -0.026 0.000 1.016 564 V CA -0.728 61.543 62.300 -0.048 0.000 0.840 564 V CB 1.437 33.245 31.823 -0.024 0.000 0.994 564 V HN 0.755 nan 8.190 nan 0.000 0.431 565 L N 4.671 125.876 121.223 -0.030 0.000 2.264 565 L HA 0.632 4.973 4.340 0.002 0.000 0.289 565 L C 1.087 177.955 176.870 -0.004 0.000 1.044 565 L CA -0.167 54.659 54.840 -0.023 0.000 0.807 565 L CB 1.179 43.219 42.059 -0.033 0.000 1.192 565 L HN 0.752 nan 8.230 nan 0.000 0.425 566 G N 1.475 110.265 108.800 -0.016 0.000 2.616 566 G HA2 0.353 4.314 3.960 0.002 0.000 0.268 566 G HA3 0.353 4.314 3.960 0.002 0.000 0.268 566 G C 0.806 175.692 174.900 -0.025 0.000 1.213 566 G CA 0.014 45.106 45.100 -0.014 0.000 0.926 566 G HN 0.789 nan 8.290 nan 0.000 0.523 567 G N -1.654 107.133 108.800 -0.021 0.000 3.126 567 G HA2 0.511 4.472 3.960 0.002 0.000 0.224 567 G HA3 0.511 4.472 3.960 0.002 0.000 0.224 567 G C 0.993 175.864 174.900 -0.049 0.000 1.142 567 G CA 0.832 45.905 45.100 -0.046 0.000 0.759 567 G HN 1.855 nan 8.290 nan 0.000 0.550 568 G N 0.574 109.342 108.800 -0.054 0.000 2.542 568 G HA2 -0.157 3.804 3.960 0.002 0.000 0.235 568 G HA3 -0.157 3.804 3.960 0.002 0.000 0.235 568 G C -2.608 172.265 174.900 -0.045 0.000 1.286 568 G CA -0.320 44.746 45.100 -0.055 0.000 0.904 568 G HN 0.336 nan 8.290 nan 0.000 0.577 569 P HA 0.248 nan 4.420 nan 0.000 0.272 569 P C -0.139 177.145 177.300 -0.025 0.000 1.223 569 P CA -0.132 62.951 63.100 -0.030 0.000 0.784 569 P CB 0.217 31.901 31.700 -0.028 0.000 0.923 570 N N 1.800 120.485 118.700 -0.024 0.000 2.503 570 N HA 0.396 5.136 4.740 0.002 0.000 0.267 570 N C 0.022 175.519 175.510 -0.021 0.000 1.214 570 N CA -0.233 52.813 53.050 -0.007 0.000 0.959 570 N CB 0.430 38.917 38.487 -0.000 0.000 1.142 570 N HN 0.328 nan 8.380 nan 0.000 0.455 571 R N 0.326 120.824 120.500 -0.004 0.000 2.795 571 R HA 0.462 4.803 4.340 0.002 0.000 0.268 571 R C -0.997 175.307 176.300 0.008 0.000 1.041 571 R CA -0.836 55.259 56.100 -0.010 0.000 0.927 571 R CB 0.632 30.922 30.300 -0.017 0.000 1.235 571 R HN 0.396 nan 8.270 nan 0.000 0.463 572 I N 1.827 122.399 120.570 0.004 0.000 2.668 572 I HA 0.170 4.341 4.170 0.002 0.000 0.285 572 I C 1.092 177.203 176.117 -0.010 0.000 1.168 572 I CA 1.781 63.082 61.300 0.002 0.000 1.424 572 I CB 0.517 38.521 38.000 0.006 0.000 1.377 572 I HN 0.973 nan 8.210 nan 0.000 0.560 573 G N 4.806 113.619 108.800 0.022 0.000 2.234 573 G HA2 -0.203 3.758 3.960 0.002 0.000 0.235 573 G HA3 -0.203 3.758 3.960 0.002 0.000 0.235 573 G C 0.308 175.327 174.900 0.199 0.000 0.997 573 G CA -0.407 44.730 45.100 0.061 0.000 0.623 573 G HN 0.530 nan 8.290 nan 0.000 0.514 574 Q N 0.955 120.851 119.800 0.160 0.000 2.928 574 Q HA 0.508 4.849 4.340 0.002 0.000 0.353 574 Q C 0.763 176.920 176.000 0.261 0.000 0.870 574 Q CA 0.341 56.266 55.803 0.205 0.000 0.963 574 Q CB 0.814 29.532 28.738 -0.033 0.000 1.419 574 Q HN 0.559 nan 8.270 nan 0.000 0.396 575 G N 0.222 109.205 108.800 0.305 0.000 2.630 575 G HA2 0.280 4.241 3.960 0.002 0.000 0.223 575 G HA3 0.280 4.241 3.960 0.002 0.000 0.223 575 G C 0.781 175.764 174.900 0.138 0.000 1.434 575 G CA -0.538 44.650 45.100 0.147 0.000 1.057 575 G HN 0.435 nan 8.290 nan 0.000 0.570 576 I N -0.189 120.405 120.570 0.042 0.000 2.567 576 I HA -0.121 4.050 4.170 0.002 0.000 0.257 576 I C 2.511 178.622 176.117 -0.010 0.000 1.184 576 I CA 1.293 62.611 61.300 0.030 0.000 1.451 576 I CB -0.030 37.982 38.000 0.019 0.000 1.089 576 I HN 0.510 nan 8.210 nan 0.000 0.441 577 E N 0.689 120.800 120.200 -0.148 0.000 2.070 577 E HA -0.247 4.104 4.350 0.002 0.000 0.197 577 E C 1.836 178.246 176.600 -0.317 0.000 1.004 577 E CA 1.887 58.084 56.400 -0.338 0.000 0.805 577 E CB -0.390 28.951 29.700 -0.598 0.000 0.744 577 E HN 0.507 nan 8.360 nan 0.000 0.451 578 F N 0.380 120.331 119.950 0.003 0.000 2.186 578 F HA -0.077 4.451 4.527 0.002 0.000 0.299 578 F C 2.090 177.909 175.800 0.032 0.000 1.090 578 F CA 1.304 59.310 58.000 0.009 0.000 1.307 578 F CB -0.506 38.499 39.000 0.008 0.000 1.019 578 F HN 0.011 nan 8.300 nan 0.000 0.489 579 D N -1.215 119.297 120.400 0.186 0.000 2.219 579 D HA -0.249 4.392 4.640 0.002 0.000 0.205 579 D C 2.112 178.462 176.300 0.083 0.000 0.970 579 D CA 0.732 54.801 54.000 0.115 0.000 0.851 579 D CB -0.211 40.634 40.800 0.075 0.000 0.943 579 D HN 0.315 nan 8.370 nan 0.000 0.488 580 Y N 0.368 120.617 120.300 -0.086 0.000 2.181 580 Y HA -0.261 4.290 4.550 0.002 0.000 0.288 580 Y C 2.138 177.898 175.900 -0.234 0.000 1.146 580 Y CA 1.507 59.495 58.100 -0.186 0.000 1.164 580 Y CB -0.464 37.855 38.460 -0.235 0.000 0.982 580 Y HN 0.132 nan 8.280 nan 0.000 0.515 581 C N -0.644 118.674 119.300 0.030 0.000 2.429 581 C HA -0.226 4.235 4.460 0.002 0.000 0.277 581 C C 2.965 178.035 174.990 0.134 0.000 1.262 581 C CA 1.072 60.053 59.018 -0.063 0.000 1.733 581 C CB -1.699 25.878 27.740 -0.271 0.000 2.010 581 C HN 0.788 nan 8.230 nan 0.000 0.483 582 C N 0.297 119.703 119.300 0.177 0.000 2.413 582 C HA -0.096 4.365 4.460 0.002 0.000 0.276 582 C C 2.738 177.801 174.990 0.121 0.000 1.236 582 C CA 1.079 60.222 59.018 0.208 0.000 1.735 582 C CB -1.404 26.416 27.740 0.134 0.000 2.031 582 C HN 0.539 nan 8.230 nan 0.000 0.474 583 V N -0.067 119.867 119.914 0.034 0.000 2.295 583 V HA -0.271 3.850 4.120 0.002 0.000 0.246 583 V C 2.268 178.413 176.094 0.085 0.000 1.049 583 V CA 2.155 64.461 62.300 0.011 0.000 1.024 583 V CB -0.977 30.804 31.823 -0.069 0.000 0.648 583 V HN 0.669 nan 8.190 nan 0.000 0.447 584 H N -0.379 118.623 119.070 -0.113 0.000 2.353 584 H HA -0.129 4.428 4.556 0.002 0.000 0.300 584 H C 2.361 177.707 175.328 0.030 0.000 1.090 584 H CA 1.034 57.029 56.048 -0.088 0.000 1.327 584 H CB 0.020 29.704 29.762 -0.130 0.000 1.383 584 H HN 0.478 nan 8.280 nan 0.000 0.508 585 A N 0.236 123.213 122.820 0.262 0.000 1.908 585 A HA -0.236 4.085 4.320 0.002 0.000 0.218 585 A C 2.526 180.147 177.584 0.063 0.000 1.181 585 A CA 1.973 54.115 52.037 0.176 0.000 0.627 585 A CB -0.758 18.323 19.000 0.135 0.000 0.818 585 A HN 0.392 nan 8.150 nan 0.000 0.445 586 S N -0.671 115.067 115.700 0.064 0.000 2.371 586 S HA -0.047 4.424 4.470 0.002 0.000 0.224 586 S C 1.930 176.550 174.600 0.034 0.000 1.029 586 S CA 1.263 59.485 58.200 0.036 0.000 0.978 586 S CB -0.485 62.735 63.200 0.033 0.000 0.833 586 S HN 0.479 nan 8.310 nan 0.000 0.466 587 L N 1.114 122.355 121.223 0.029 0.000 2.056 587 L HA 0.006 4.347 4.340 0.002 0.000 0.207 587 L C 2.993 179.863 176.870 0.000 0.000 1.078 587 L CA 1.148 55.992 54.840 0.005 0.000 0.749 587 L CB -0.818 41.225 42.059 -0.026 0.000 0.901 587 L HN 0.385 nan 8.230 nan 0.000 0.433 588 A N 0.665 123.482 122.820 -0.005 0.000 1.835 588 A HA -0.166 4.155 4.320 0.002 0.000 0.215 588 A C 2.249 179.863 177.584 0.049 0.000 1.199 588 A CA 1.502 53.542 52.037 0.004 0.000 0.615 588 A CB -0.923 18.080 19.000 0.005 0.000 0.838 588 A HN 0.328 nan 8.150 nan 0.000 0.444 589 L N -0.981 120.273 121.223 0.052 0.000 2.127 589 L HA -0.218 4.123 4.340 0.002 0.000 0.211 589 L C 2.825 179.814 176.870 0.198 0.000 1.089 589 L CA 1.928 56.834 54.840 0.111 0.000 0.757 589 L CB -0.545 41.486 42.059 -0.047 0.000 0.899 589 L HN 0.529 nan 8.230 nan 0.000 0.434 590 R N 0.663 121.229 120.500 0.110 0.000 2.090 590 R HA -0.209 4.132 4.340 0.002 0.000 0.228 590 R C 2.220 178.564 176.300 0.073 0.000 1.110 590 R CA 1.579 57.737 56.100 0.096 0.000 0.973 590 R CB -0.019 30.317 30.300 0.060 0.000 0.869 590 R HN 0.318 nan 8.270 nan 0.000 0.440 591 E N 0.498 120.732 120.200 0.057 0.000 2.106 591 E HA -0.181 4.169 4.350 0.002 0.000 0.192 591 E C 0.965 177.590 176.600 0.041 0.000 0.984 591 E CA 1.751 58.172 56.400 0.036 0.000 0.806 591 E CB -0.063 29.648 29.700 0.018 0.000 0.750 591 E HN 0.292 nan 8.360 nan 0.000 0.458 592 D N -0.987 119.461 120.400 0.080 0.000 2.378 592 D HA 0.039 4.680 4.640 0.002 0.000 0.222 592 D C 1.085 177.389 176.300 0.007 0.000 0.980 592 D CA 1.186 55.236 54.000 0.084 0.000 0.907 592 D CB 0.300 41.230 40.800 0.217 0.000 0.899 592 D HN 0.420 nan 8.370 nan 0.000 0.527 593 G N -1.093 107.718 108.800 0.018 0.000 2.179 593 G HA2 -0.278 3.683 3.960 0.002 0.000 0.220 593 G HA3 -0.278 3.683 3.960 0.002 0.000 0.220 593 G C 0.108 174.962 174.900 -0.077 0.000 0.990 593 G CA -0.260 44.806 45.100 -0.057 0.000 0.646 593 G HN 0.309 nan 8.290 nan 0.000 0.517 594 Y N 0.686 120.986 120.300 -0.000 0.000 2.299 594 Y HA 0.490 5.041 4.550 0.002 0.000 0.335 594 Y C 1.054 176.956 175.900 0.003 0.000 1.287 594 Y CA 0.082 58.182 58.100 -0.000 0.000 1.424 594 Y CB 0.582 39.040 38.460 -0.004 0.000 1.326 594 Y HN 0.160 nan 8.280 nan 0.000 0.567 595 E N 1.345 121.651 120.200 0.176 0.000 2.089 595 E HA 0.148 4.499 4.350 0.002 0.000 0.284 595 E C -0.991 175.672 176.600 0.106 0.000 1.023 595 E CA -0.566 55.898 56.400 0.106 0.000 0.819 595 E CB 0.466 30.210 29.700 0.074 0.000 1.076 595 E HN 0.641 nan 8.360 nan 0.000 0.396 596 T N 2.554 117.158 114.554 0.084 0.000 2.767 596 T HA 0.495 4.846 4.350 0.002 0.000 0.288 596 T C 0.109 174.843 174.700 0.057 0.000 0.963 596 T CA -0.679 61.456 62.100 0.058 0.000 1.019 596 T CB 0.432 69.329 68.868 0.048 0.000 0.923 596 T HN 0.317 nan 8.240 nan 0.000 0.468 597 I N 3.724 124.326 120.570 0.053 0.000 2.382 597 I HA 0.392 4.563 4.170 0.002 0.000 0.286 597 I C -0.287 175.871 176.117 0.069 0.000 1.002 597 I CA -0.942 60.410 61.300 0.087 0.000 1.135 597 I CB 1.871 39.939 38.000 0.113 0.000 1.288 597 I HN 0.553 nan 8.210 nan 0.000 0.448 598 M N 7.888 127.539 119.600 0.085 0.000 2.238 598 M HA 0.492 4.973 4.480 0.002 0.000 0.350 598 M C -1.265 175.086 176.300 0.085 0.000 1.138 598 M CA -0.374 54.958 55.300 0.053 0.000 1.040 598 M CB 1.369 33.983 32.600 0.023 0.000 1.639 598 M HN 0.279 nan 8.290 nan 0.000 0.451 599 V N 5.740 125.675 119.914 0.036 0.000 2.376 599 V HA 0.684 4.805 4.120 0.002 0.000 0.287 599 V C -0.597 175.469 176.094 -0.048 0.000 1.015 599 V CA -0.584 61.733 62.300 0.029 0.000 0.834 599 V CB 1.041 32.867 31.823 0.005 0.000 1.001 599 V HN 0.935 nan 8.190 nan 0.000 0.428 600 N N 2.524 121.144 118.700 -0.133 0.000 3.127 600 N HA 0.476 5.217 4.740 0.002 0.000 0.239 600 N C -0.381 174.781 175.510 -0.579 0.000 1.407 600 N CA -0.260 52.638 53.050 -0.253 0.000 0.891 600 N CB 1.936 40.292 38.487 -0.218 0.000 1.447 600 N HN 0.646 nan 8.380 nan 0.000 0.507 601 C N -0.353 118.612 119.300 -0.557 0.000 3.359 601 C HA 0.514 4.975 4.460 0.002 0.000 0.258 601 C C 0.077 174.872 174.990 -0.324 0.000 1.840 601 C CA -1.001 57.559 59.018 -0.763 0.000 1.746 601 C CB -1.526 26.129 27.740 -0.141 0.000 3.306 601 C HN 0.580 nan 8.230 nan 0.000 0.485 602 N N 3.225 121.749 118.700 -0.293 0.000 2.406 602 N HA 0.299 5.040 4.740 0.002 0.000 0.251 602 N C -1.104 174.408 175.510 0.004 0.000 1.069 602 N CA -2.022 50.977 53.050 -0.085 0.000 0.947 602 N CB 1.615 40.049 38.487 -0.088 0.000 1.111 602 N HN 0.256 nan 8.380 nan 0.000 0.497 603 P HA -0.070 nan 4.420 nan 0.000 0.223 603 P C 0.361 177.601 177.300 -0.099 0.000 1.151 603 P CA 1.129 64.324 63.100 0.159 0.000 0.787 603 P CB 0.523 32.292 31.700 0.115 0.000 0.788 604 E N -0.053 120.080 120.200 -0.110 0.000 2.216 604 E HA -0.032 4.319 4.350 0.002 0.000 0.192 604 E C 0.985 177.473 176.600 -0.186 0.000 0.988 604 E CA 0.705 57.007 56.400 -0.164 0.000 0.834 604 E CB -0.349 29.287 29.700 -0.108 0.000 0.772 604 E HN 0.373 nan 8.360 nan 0.000 0.479 605 T N -1.836 112.625 114.554 -0.155 0.000 2.868 605 T HA 0.129 4.480 4.350 0.002 0.000 0.292 605 T C 1.294 175.940 174.700 -0.090 0.000 1.028 605 T CA -0.683 61.364 62.100 -0.088 0.000 1.059 605 T CB 1.731 70.561 68.868 -0.065 0.000 0.991 605 T HN -0.216 nan 8.240 nan 0.000 0.531 606 V N 2.042 121.980 119.914 0.041 0.000 2.871 606 V HA -0.106 4.015 4.120 0.002 0.000 0.256 606 V C 2.964 179.061 176.094 0.005 0.000 1.082 606 V CA 1.823 64.183 62.300 0.099 0.000 1.105 606 V CB -0.937 30.939 31.823 0.089 0.000 0.713 606 V HN 1.108 nan 8.190 nan 0.000 0.473 607 S N 0.865 116.549 115.700 -0.027 0.000 2.399 607 S HA -0.186 4.285 4.470 0.002 0.000 0.231 607 S C 1.733 176.284 174.600 -0.083 0.000 1.022 607 S CA 1.660 59.834 58.200 -0.044 0.000 0.983 607 S CB -0.761 62.413 63.200 -0.042 0.000 0.803 607 S HN 0.709 nan 8.310 nan 0.000 0.480 608 T N -0.873 113.610 114.554 -0.119 0.000 3.244 608 T HA 0.238 4.589 4.350 0.002 0.000 0.254 608 T C -0.191 174.420 174.700 -0.149 0.000 1.024 608 T CA -0.430 61.592 62.100 -0.130 0.000 0.920 608 T CB -0.214 68.579 68.868 -0.125 0.000 1.042 608 T HN 0.280 nan 8.240 nan 0.000 0.572 609 D N 1.433 121.751 120.400 -0.137 0.000 2.249 609 D HA 0.105 4.746 4.640 0.002 0.000 0.246 609 D C 1.012 177.164 176.300 -0.246 0.000 1.114 609 D CA -1.039 52.856 54.000 -0.176 0.000 0.854 609 D CB 0.923 41.724 40.800 0.002 0.000 1.132 609 D HN 0.430 nan 8.370 nan 0.000 0.461 610 Y N 1.699 121.915 120.300 -0.140 0.000 2.569 610 Y HA -0.014 4.537 4.550 0.002 0.000 0.293 610 Y C 1.198 177.080 175.900 -0.030 0.000 1.144 610 Y CA 0.439 58.460 58.100 -0.131 0.000 1.321 610 Y CB -0.317 38.075 38.460 -0.112 0.000 0.982 610 Y HN 0.225 nan 8.280 nan 0.000 0.558 611 D N 0.322 120.589 120.400 -0.221 0.000 2.277 611 D HA -0.080 4.561 4.640 0.002 0.000 0.208 611 D C 1.715 178.010 176.300 -0.008 0.000 0.962 611 D CA 1.423 55.397 54.000 -0.043 0.000 0.865 611 D CB -0.123 40.602 40.800 -0.125 0.000 0.939 611 D HN 0.456 nan 8.370 nan 0.000 0.510 612 T N -0.197 114.339 114.554 -0.032 0.000 2.962 612 T HA -0.029 4.322 4.350 0.002 0.000 0.270 612 T C 1.090 175.799 174.700 0.015 0.000 1.088 612 T CA 0.661 62.757 62.100 -0.006 0.000 1.127 612 T CB 0.112 68.971 68.868 -0.015 0.000 0.883 612 T HN 0.194 nan 8.240 nan 0.000 0.493 613 S N -0.509 115.208 115.700 0.028 0.000 2.671 613 S HA 0.419 4.890 4.470 0.002 0.000 0.277 613 S C -0.138 174.494 174.600 0.053 0.000 1.165 613 S CA -0.955 57.268 58.200 0.039 0.000 0.822 613 S CB 1.607 64.828 63.200 0.035 0.000 1.150 613 S HN -0.096 nan 8.310 nan 0.000 0.479 614 D N 0.568 121.000 120.400 0.052 0.000 2.162 614 D HA 0.100 4.741 4.640 0.002 0.000 0.203 614 D C 0.170 176.496 176.300 0.043 0.000 0.967 614 D CA 1.088 55.119 54.000 0.051 0.000 0.840 614 D CB 0.139 40.969 40.800 0.050 0.000 0.972 614 D HN 0.419 nan 8.370 nan 0.000 0.482 615 R N 0.022 120.547 120.500 0.041 0.000 2.564 615 R HA 0.472 4.813 4.340 0.002 0.000 0.284 615 R C -1.359 174.951 176.300 0.018 0.000 1.031 615 R CA -0.741 55.362 56.100 0.004 0.000 0.904 615 R CB 2.347 32.652 30.300 0.008 0.000 1.199 615 R HN -0.104 nan 8.270 nan 0.000 0.443 616 L N 3.122 124.326 121.223 -0.032 0.000 2.343 616 L HA 0.453 4.794 4.340 0.002 0.000 0.278 616 L C -1.684 175.186 176.870 0.001 0.000 0.996 616 L CA -0.458 54.400 54.840 0.030 0.000 0.831 616 L CB 0.953 43.029 42.059 0.029 0.000 1.232 616 L HN 0.533 nan 8.230 nan 0.000 0.413 617 Y N 5.371 125.745 120.300 0.124 0.000 2.491 617 Y HA 0.322 4.873 4.550 0.002 0.000 0.334 617 Y C -0.432 175.592 175.900 0.208 0.000 0.969 617 Y CA -0.196 57.996 58.100 0.155 0.000 1.241 617 Y CB 0.989 39.467 38.460 0.029 0.000 1.105 617 Y HN 0.539 nan 8.280 nan 0.000 0.503 618 F N 4.988 125.138 119.950 0.334 0.000 2.619 618 F HA 0.289 4.817 4.527 0.002 0.000 0.350 618 F C -0.128 175.816 175.800 0.241 0.000 1.259 618 F CA -0.271 57.900 58.000 0.286 0.000 1.204 618 F CB -0.279 38.962 39.000 0.401 0.000 1.556 618 F HN 0.417 nan 8.300 nan 0.000 0.650 619 E N 4.608 124.952 120.200 0.241 0.000 2.416 619 E HA 0.378 4.729 4.350 0.002 0.000 0.273 619 E C -2.730 173.933 176.600 0.105 0.000 0.935 619 E CA -2.305 54.236 56.400 0.234 0.000 0.784 619 E CB 1.524 31.373 29.700 0.249 0.000 1.301 619 E HN 0.104 nan 8.360 nan 0.000 0.454 620 P HA 0.036 nan 4.420 nan 0.000 0.268 620 P C -0.055 177.267 177.300 0.036 0.000 1.205 620 P CA -0.147 62.990 63.100 0.062 0.000 0.771 620 P CB 0.390 32.132 31.700 0.070 0.000 0.858 621 V N 3.440 123.357 119.914 0.005 0.000 2.153 621 V HA 0.172 4.293 4.120 0.002 0.000 0.250 621 V C 0.859 176.952 176.094 -0.001 0.000 1.334 621 V CA 0.207 62.502 62.300 -0.007 0.000 1.249 621 V CB -1.073 30.732 31.823 -0.029 0.000 1.371 621 V HN 0.707 nan 8.190 nan 0.000 0.498 622 T N -0.187 114.375 114.554 0.013 0.000 2.916 622 T HA 0.547 4.898 4.350 0.002 0.000 0.292 622 T C 0.669 175.377 174.700 0.013 0.000 1.064 622 T CA -0.671 61.438 62.100 0.015 0.000 1.011 622 T CB 2.153 71.039 68.868 0.031 0.000 1.152 622 T HN 0.115 nan 8.240 nan 0.000 0.510 623 L N 0.816 122.045 121.223 0.011 0.000 2.012 623 L HA 0.026 4.367 4.340 0.002 0.000 0.210 623 L C 2.646 179.530 176.870 0.024 0.000 1.073 623 L CA 2.402 57.248 54.840 0.009 0.000 0.748 623 L CB -0.792 41.271 42.059 0.007 0.000 0.891 623 L HN 0.995 nan 8.230 nan 0.000 0.431 624 E N -0.632 119.591 120.200 0.039 0.000 2.038 624 E HA -0.277 4.074 4.350 0.002 0.000 0.195 624 E C 1.695 178.340 176.600 0.075 0.000 1.000 624 E CA 1.914 58.351 56.400 0.061 0.000 0.803 624 E CB -0.276 29.468 29.700 0.073 0.000 0.750 624 E HN 0.631 nan 8.360 nan 0.000 0.448 625 D N 0.043 120.487 120.400 0.074 0.000 2.144 625 D HA -0.113 4.528 4.640 0.002 0.000 0.200 625 D C 2.136 178.467 176.300 0.052 0.000 0.978 625 D CA 1.035 55.090 54.000 0.091 0.000 0.833 625 D CB 0.147 41.010 40.800 0.104 0.000 0.961 625 D HN 0.174 nan 8.370 nan 0.000 0.470 626 V N 1.466 121.388 119.914 0.014 0.000 2.453 626 V HA -0.145 3.976 4.120 0.002 0.000 0.247 626 V C 2.638 178.706 176.094 -0.043 0.000 1.048 626 V CA 0.715 62.994 62.300 -0.035 0.000 1.049 626 V CB -0.298 31.503 31.823 -0.037 0.000 0.672 626 V HN 0.174 nan 8.190 nan 0.000 0.457 627 L N -0.211 121.009 121.223 -0.006 0.000 2.079 627 L HA -0.169 4.172 4.340 0.002 0.000 0.210 627 L C 2.741 179.615 176.870 0.007 0.000 1.081 627 L CA 1.426 56.267 54.840 0.000 0.000 0.752 627 L CB -0.513 41.561 42.059 0.026 0.000 0.896 627 L HN 0.373 nan 8.230 nan 0.000 0.433 628 E N -0.005 120.225 120.200 0.049 0.000 2.150 628 E HA -0.159 4.192 4.350 0.002 0.000 0.193 628 E C 2.205 178.822 176.600 0.027 0.000 0.985 628 E CA 1.128 57.586 56.400 0.096 0.000 0.814 628 E CB -0.058 29.755 29.700 0.188 0.000 0.752 628 E HN 0.553 nan 8.360 nan 0.000 0.466 629 I N 0.313 120.811 120.570 -0.120 0.000 2.406 629 I HA -0.182 3.989 4.170 0.002 0.000 0.249 629 I C 2.363 178.296 176.117 -0.308 0.000 1.122 629 I CA 0.395 61.434 61.300 -0.435 0.000 1.431 629 I CB -0.081 37.455 38.000 -0.774 0.000 1.087 629 I HN -0.111 nan 8.210 nan 0.000 0.424 630 V N 1.037 120.840 119.914 -0.187 0.000 2.295 630 V HA -0.319 3.802 4.120 0.002 0.000 0.246 630 V C 2.646 178.681 176.094 -0.099 0.000 1.049 630 V CA 2.163 64.385 62.300 -0.129 0.000 1.024 630 V CB -0.821 30.951 31.823 -0.086 0.000 0.648 630 V HN 0.448 nan 8.190 nan 0.000 0.447 631 R N 0.803 121.254 120.500 -0.081 0.000 2.140 631 R HA -0.241 4.100 4.340 0.002 0.000 0.250 631 R C 2.201 178.455 176.300 -0.077 0.000 1.150 631 R CA 2.777 58.833 56.100 -0.074 0.000 0.966 631 R CB -0.452 29.800 30.300 -0.080 0.000 0.869 631 R HN 0.732 nan 8.270 nan 0.000 0.445 632 I N -2.967 117.555 120.570 -0.080 0.000 3.265 632 I HA 0.126 4.297 4.170 0.002 0.000 0.282 632 I C 1.382 177.462 176.117 -0.062 0.000 1.207 632 I CA 0.438 61.703 61.300 -0.059 0.000 1.449 632 I CB 0.019 38.004 38.000 -0.026 0.000 1.121 632 I HN -0.024 nan 8.210 nan 0.000 0.442 633 E N 1.953 122.094 120.200 -0.098 0.000 2.170 633 E HA -0.030 4.321 4.350 0.002 0.000 0.191 633 E C 0.179 176.756 176.600 -0.038 0.000 0.981 633 E CA 0.342 56.705 56.400 -0.061 0.000 0.830 633 E CB -0.037 29.613 29.700 -0.083 0.000 0.775 633 E HN 0.461 nan 8.360 nan 0.000 0.470 634 K N 1.016 121.387 120.400 -0.048 0.000 3.653 634 K HA -0.138 4.183 4.320 0.002 0.000 0.275 634 K C -2.508 174.080 176.600 -0.020 0.000 0.962 634 K CA 0.312 56.580 56.287 -0.032 0.000 0.773 634 K CB -1.192 31.295 32.500 -0.022 0.000 1.463 634 K HN 0.213 nan 8.250 nan 0.000 0.450 635 P HA -0.010 nan 4.420 nan 0.000 0.274 635 P C 0.374 177.670 177.300 -0.006 0.000 1.237 635 P CA -0.293 62.798 63.100 -0.014 0.000 0.793 635 P CB 1.046 32.727 31.700 -0.033 0.000 0.977 636 K N 0.251 120.659 120.400 0.013 0.000 2.062 636 K HA 0.050 4.371 4.320 0.002 0.000 0.205 636 K C 0.844 177.438 176.600 -0.011 0.000 1.051 636 K CA 1.322 57.621 56.287 0.020 0.000 0.941 636 K CB -0.331 32.212 32.500 0.071 0.000 0.719 636 K HN 0.739 nan 8.250 nan 0.000 0.440 637 G N -0.585 108.192 108.800 -0.038 0.000 2.704 637 G HA2 0.482 4.443 3.960 0.002 0.000 0.293 637 G HA3 0.482 4.443 3.960 0.002 0.000 0.293 637 G C -1.866 172.983 174.900 -0.084 0.000 1.421 637 G CA -0.660 44.400 45.100 -0.066 0.000 0.870 637 G HN -0.033 nan 8.290 nan 0.000 0.492 638 V N 1.172 121.034 119.914 -0.087 0.000 2.638 638 V HA 0.494 4.615 4.120 0.002 0.000 0.306 638 V C -0.299 175.727 176.094 -0.113 0.000 1.052 638 V CA -0.636 61.609 62.300 -0.093 0.000 0.885 638 V CB 1.784 33.563 31.823 -0.073 0.000 0.999 638 V HN 0.672 nan 8.190 nan 0.000 0.424 639 I N 4.825 125.312 120.570 -0.140 0.000 2.312 639 I HA 0.293 4.464 4.170 0.002 0.000 0.290 639 I C 0.766 176.806 176.117 -0.127 0.000 1.008 639 I CA -0.331 60.857 61.300 -0.186 0.000 1.226 639 I CB 1.760 39.577 38.000 -0.303 0.000 1.371 639 I HN 0.608 nan 8.210 nan 0.000 0.468 640 V N 2.166 122.024 119.914 -0.094 0.000 3.528 640 V HA 0.176 4.297 4.120 0.002 0.000 0.294 640 V C 1.042 177.132 176.094 -0.007 0.000 1.404 640 V CA 0.259 62.531 62.300 -0.047 0.000 1.065 640 V CB 0.159 31.957 31.823 -0.041 0.000 0.904 640 V HN 0.766 nan 8.190 nan 0.000 0.435 641 Q N -0.724 119.079 119.800 0.006 0.000 2.360 641 Q HA 0.302 4.643 4.340 0.002 0.000 0.202 641 Q C 1.205 177.420 176.000 0.357 0.000 0.915 641 Q CA 0.677 56.558 55.803 0.129 0.000 0.943 641 Q CB 0.055 28.866 28.738 0.122 0.000 1.064 641 Q HN 0.754 nan 8.270 nan 0.000 0.511 642 Y N -1.528 118.798 120.300 0.044 0.000 2.442 642 Y HA 0.381 4.932 4.550 0.002 0.000 0.250 642 Y C 1.773 177.750 175.900 0.129 0.000 1.113 642 Y CA -0.133 58.030 58.100 0.104 0.000 1.273 642 Y CB 0.257 38.767 38.460 0.084 0.000 1.138 642 Y HN 0.063 nan 8.280 nan 0.000 0.522 643 G N -0.440 108.465 108.800 0.174 0.000 3.371 643 G HA2 0.438 4.399 3.960 0.002 0.000 0.248 643 G HA3 0.438 4.399 3.960 0.002 0.000 0.248 643 G C 0.883 175.683 174.900 -0.167 0.000 1.161 643 G CA 0.404 45.546 45.100 0.070 0.000 0.796 643 G HN 0.549 nan 8.290 nan 0.000 0.539 644 G N 0.033 108.590 108.800 -0.405 0.000 2.568 644 G HA2 -0.257 3.704 3.960 0.002 0.000 0.222 644 G HA3 -0.257 3.704 3.960 0.002 0.000 0.222 644 G C 0.741 175.397 174.900 -0.406 0.000 1.321 644 G CA 0.135 44.706 45.100 -0.881 0.000 0.893 644 G HN 0.110 nan 8.290 nan 0.000 0.569 645 Q N -0.450 119.134 119.800 -0.360 0.000 2.119 645 Q HA -0.039 4.302 4.340 0.002 0.000 0.201 645 Q C 2.971 178.888 176.000 -0.139 0.000 0.972 645 Q CA 2.282 57.965 55.803 -0.201 0.000 0.847 645 Q CB -1.032 27.607 28.738 -0.164 0.000 0.903 645 Q HN 0.726 nan 8.270 nan 0.000 0.433 646 T N 2.058 116.528 114.554 -0.139 0.000 2.570 646 T HA -0.145 4.206 4.350 0.002 0.000 0.266 646 T C -1.055 173.603 174.700 -0.070 0.000 1.071 646 T CA 2.111 64.157 62.100 -0.090 0.000 1.172 646 T CB -1.157 67.663 68.868 -0.081 0.000 0.864 646 T HN 0.278 nan 8.240 nan 0.000 0.421 647 P HA 0.106 nan 4.420 nan 0.000 0.225 647 P C 1.578 178.850 177.300 -0.047 0.000 1.156 647 P CA 0.448 63.519 63.100 -0.049 0.000 0.787 647 P CB -0.146 31.531 31.700 -0.038 0.000 0.802 648 L N 0.466 121.654 121.223 -0.059 0.000 2.046 648 L HA -0.084 4.257 4.340 0.002 0.000 0.208 648 L C 2.217 179.060 176.870 -0.045 0.000 1.077 648 L CA 1.997 56.806 54.840 -0.051 0.000 0.747 648 L CB -0.981 41.038 42.059 -0.068 0.000 0.896 648 L HN -0.185 nan 8.230 nan 0.000 0.432 649 K N -1.057 119.312 120.400 -0.050 0.000 2.362 649 K HA -0.037 4.284 4.320 0.002 0.000 0.200 649 K C 1.661 178.241 176.600 -0.032 0.000 1.046 649 K CA 0.778 57.040 56.287 -0.042 0.000 0.952 649 K CB -0.026 32.447 32.500 -0.045 0.000 0.753 649 K HN 0.340 nan 8.250 nan 0.000 0.466 650 L N -0.668 120.536 121.223 -0.032 0.000 2.585 650 L HA 0.150 4.491 4.340 0.002 0.000 0.226 650 L C 2.144 178.999 176.870 -0.025 0.000 1.113 650 L CA -0.120 54.705 54.840 -0.026 0.000 0.876 650 L CB -0.165 41.879 42.059 -0.026 0.000 1.072 650 L HN 0.082 nan 8.230 nan 0.000 0.468 651 A N 1.090 123.894 122.820 -0.027 0.000 1.849 651 A HA -0.293 4.028 4.320 0.002 0.000 0.217 651 A C 2.357 179.929 177.584 -0.021 0.000 1.202 651 A CA 2.085 54.107 52.037 -0.025 0.000 0.629 651 A CB -0.518 18.468 19.000 -0.024 0.000 0.834 651 A HN 0.287 nan 8.150 nan 0.000 0.447 652 R N -0.835 119.654 120.500 -0.018 0.000 2.097 652 R HA -0.173 4.168 4.340 0.002 0.000 0.236 652 R C 2.494 178.786 176.300 -0.013 0.000 1.135 652 R CA 1.901 57.993 56.100 -0.015 0.000 0.934 652 R CB -0.627 29.665 30.300 -0.014 0.000 0.846 652 R HN 0.533 nan 8.270 nan 0.000 0.431 653 A N 0.492 123.304 122.820 -0.013 0.000 1.948 653 A HA -0.196 4.125 4.320 0.002 0.000 0.220 653 A C 2.187 179.764 177.584 -0.011 0.000 1.177 653 A CA 1.570 53.600 52.037 -0.011 0.000 0.636 653 A CB -0.677 18.317 19.000 -0.010 0.000 0.815 653 A HN 0.302 nan 8.150 nan 0.000 0.449 654 L N -1.187 120.027 121.223 -0.015 0.000 2.056 654 L HA -0.186 4.155 4.340 0.002 0.000 0.207 654 L C 2.645 179.505 176.870 -0.017 0.000 1.078 654 L CA 1.784 56.613 54.840 -0.018 0.000 0.749 654 L CB -0.462 41.582 42.059 -0.025 0.000 0.901 654 L HN 0.549 nan 8.230 nan 0.000 0.433 655 E N 0.258 120.448 120.200 -0.017 0.000 2.077 655 E HA -0.245 4.106 4.350 0.002 0.000 0.193 655 E C 2.253 178.846 176.600 -0.011 0.000 0.989 655 E CA 1.126 57.517 56.400 -0.015 0.000 0.800 655 E CB -0.023 29.669 29.700 -0.013 0.000 0.746 655 E HN 0.457 nan 8.360 nan 0.000 0.452 656 A N 0.922 123.737 122.820 -0.009 0.000 1.978 656 A HA -0.098 4.223 4.320 0.002 0.000 0.220 656 A C 2.176 179.757 177.584 -0.006 0.000 1.170 656 A CA 1.663 53.696 52.037 -0.007 0.000 0.636 656 A CB -0.484 18.512 19.000 -0.006 0.000 0.810 656 A HN 0.349 nan 8.150 nan 0.000 0.448 657 A N -1.749 121.068 122.820 -0.006 0.000 2.302 657 A HA 0.435 4.756 4.320 0.002 0.000 0.219 657 A C 1.610 179.189 177.584 -0.007 0.000 1.243 657 A CA 1.037 53.072 52.037 -0.004 0.000 0.856 657 A CB -1.056 17.943 19.000 -0.002 0.000 0.893 657 A HN 1.902 nan 8.150 nan 0.000 0.491 658 G N -1.226 107.568 108.800 -0.009 0.000 2.136 658 G HA2 -0.192 3.769 3.960 0.002 0.000 0.242 658 G HA3 -0.192 3.769 3.960 0.002 0.000 0.242 658 G C 0.115 175.005 174.900 -0.016 0.000 0.989 658 G CA 0.089 45.182 45.100 -0.011 0.000 0.682 658 G HN 0.786 nan 8.290 nan 0.000 0.522 659 V N 1.638 121.541 119.914 -0.019 0.000 2.614 659 V HA 0.395 4.516 4.120 0.002 0.000 0.291 659 V C -1.176 174.902 176.094 -0.026 0.000 1.049 659 V CA -1.042 61.242 62.300 -0.026 0.000 1.038 659 V CB 1.320 33.125 31.823 -0.031 0.000 0.980 659 V HN 0.215 nan 8.190 nan 0.000 0.481 660 P HA 0.163 nan 4.420 nan 0.000 0.244 660 P C -0.414 176.863 177.300 -0.038 0.000 1.769 660 P CA -0.072 63.011 63.100 -0.029 0.000 1.102 660 P CB 0.102 31.787 31.700 -0.026 0.000 1.937 661 V N 5.230 125.122 119.914 -0.036 0.000 2.470 661 V HA 0.119 4.240 4.120 0.002 0.000 0.276 661 V C 1.197 177.263 176.094 -0.047 0.000 1.040 661 V CA -0.302 61.971 62.300 -0.045 0.000 1.008 661 V CB 0.161 31.961 31.823 -0.037 0.000 0.990 661 V HN 0.359 nan 8.190 nan 0.000 0.477 662 I N 2.361 122.891 120.570 -0.067 0.000 2.793 662 I HA 1.027 5.198 4.170 0.002 0.000 0.313 662 I C 0.683 176.756 176.117 -0.072 0.000 0.998 662 I CA -0.075 61.182 61.300 -0.070 0.000 1.140 662 I CB 1.533 39.478 38.000 -0.092 0.000 1.327 662 I HN 0.880 nan 8.210 nan 0.000 0.491 663 G N 2.496 111.263 108.800 -0.056 0.000 2.632 663 G HA2 -0.185 3.776 3.960 0.002 0.000 0.224 663 G HA3 -0.185 3.776 3.960 0.002 0.000 0.224 663 G C -0.149 174.742 174.900 -0.016 0.000 1.341 663 G CA -0.311 44.765 45.100 -0.040 0.000 0.880 663 G HN 0.968 nan 8.290 nan 0.000 0.566 664 T N 1.395 115.949 114.554 0.000 0.000 2.866 664 T HA 0.398 4.749 4.350 0.002 0.000 0.293 664 T C 1.371 176.072 174.700 0.002 0.000 1.005 664 T CA 0.953 63.059 62.100 0.010 0.000 1.162 664 T CB 0.230 69.110 68.868 0.021 0.000 0.968 664 T HN 1.842 nan 8.240 nan 0.000 0.530 665 S N 4.610 120.313 115.700 0.005 0.000 2.573 665 S HA 0.118 4.589 4.470 0.002 0.000 0.277 665 S C -1.583 173.016 174.600 -0.001 0.000 1.346 665 S CA -1.205 56.996 58.200 0.000 0.000 1.034 665 S CB 0.645 63.848 63.200 0.006 0.000 0.879 665 S HN 0.353 nan 8.310 nan 0.000 0.528 666 P HA -0.042 nan 4.420 nan 0.000 0.220 666 P C 0.837 178.134 177.300 -0.004 0.000 1.148 666 P CA 1.386 64.481 63.100 -0.008 0.000 0.803 666 P CB -0.096 31.597 31.700 -0.012 0.000 0.782 667 D N -0.304 120.096 120.400 -0.000 0.000 2.123 667 D HA -0.082 4.559 4.640 0.002 0.000 0.200 667 D C 1.971 178.276 176.300 0.009 0.000 0.976 667 D CA 1.057 55.059 54.000 0.003 0.000 0.831 667 D CB -0.447 40.357 40.800 0.005 0.000 0.974 667 D HN -0.070 nan 8.370 nan 0.000 0.469 668 A N 0.363 123.190 122.820 0.013 0.000 1.902 668 A HA -0.119 4.202 4.320 0.002 0.000 0.217 668 A C 2.340 179.935 177.584 0.019 0.000 1.181 668 A CA 1.151 53.201 52.037 0.022 0.000 0.623 668 A CB -0.855 18.160 19.000 0.025 0.000 0.818 668 A HN 0.401 nan 8.150 nan 0.000 0.443 669 I N -0.384 120.191 120.570 0.008 0.000 2.226 669 I HA -0.259 3.912 4.170 0.002 0.000 0.245 669 I C 2.267 178.379 176.117 -0.008 0.000 1.100 669 I CA 1.974 63.273 61.300 -0.001 0.000 1.374 669 I CB -0.423 37.573 38.000 -0.007 0.000 1.057 669 I HN 0.423 nan 8.210 nan 0.000 0.413 670 D N 0.722 121.119 120.400 -0.005 0.000 2.144 670 D HA -0.176 4.465 4.640 0.002 0.000 0.200 670 D C 2.375 178.677 176.300 0.004 0.000 0.978 670 D CA 1.064 55.059 54.000 -0.007 0.000 0.833 670 D CB 0.061 40.855 40.800 -0.009 0.000 0.961 670 D HN 0.038 nan 8.370 nan 0.000 0.470 671 R N -0.217 120.296 120.500 0.022 0.000 2.105 671 R HA -0.107 4.234 4.340 0.002 0.000 0.239 671 R C 2.105 178.467 176.300 0.103 0.000 1.135 671 R CA 1.264 57.395 56.100 0.053 0.000 0.967 671 R CB -0.286 30.052 30.300 0.064 0.000 0.861 671 R HN 0.267 nan 8.270 nan 0.000 0.442 672 A N 0.952 123.807 122.820 0.057 0.000 1.874 672 A HA -0.084 4.237 4.320 0.002 0.000 0.214 672 A C 1.864 179.372 177.584 -0.127 0.000 1.189 672 A CA 0.819 52.852 52.037 -0.007 0.000 0.615 672 A CB -0.133 18.837 19.000 -0.050 0.000 0.830 672 A HN 0.179 nan 8.150 nan 0.000 0.443 673 E N 0.597 120.749 120.200 -0.080 0.000 2.150 673 E HA -0.133 4.218 4.350 0.002 0.000 0.193 673 E C -0.215 176.352 176.600 -0.056 0.000 0.985 673 E CA 0.650 56.996 56.400 -0.090 0.000 0.814 673 E CB -0.432 29.230 29.700 -0.063 0.000 0.752 673 E HN 0.643 nan 8.360 nan 0.000 0.466 674 D N 1.070 121.464 120.400 -0.010 0.000 2.352 674 D HA 0.003 4.644 4.640 0.002 0.000 0.245 674 D C 1.364 177.706 176.300 0.071 0.000 1.224 674 D CA -0.222 53.786 54.000 0.013 0.000 0.879 674 D CB 0.621 41.421 40.800 -0.001 0.000 1.057 674 D HN -0.097 nan 8.370 nan 0.000 0.491 675 R N 3.639 124.178 120.500 0.065 0.000 2.159 675 R HA -0.270 4.071 4.340 0.002 0.000 0.249 675 R C 1.370 177.766 176.300 0.160 0.000 1.136 675 R CA 1.469 57.646 56.100 0.127 0.000 0.951 675 R CB -0.760 29.586 30.300 0.077 0.000 0.876 675 R HN 0.589 nan 8.270 nan 0.000 0.440 676 E N 0.357 120.600 120.200 0.073 0.000 2.028 676 E HA -0.076 4.275 4.350 0.002 0.000 0.191 676 E C 2.343 178.891 176.600 -0.087 0.000 0.988 676 E CA 0.604 57.018 56.400 0.023 0.000 0.799 676 E CB 0.006 29.691 29.700 -0.025 0.000 0.755 676 E HN 0.273 nan 8.360 nan 0.000 0.447 677 R N -0.008 120.432 120.500 -0.100 0.000 2.103 677 R HA -0.182 4.159 4.340 0.002 0.000 0.242 677 R C 2.302 178.624 176.300 0.036 0.000 1.142 677 R CA 1.189 57.214 56.100 -0.125 0.000 0.960 677 R CB -0.644 29.631 30.300 -0.041 0.000 0.858 677 R HN 0.235 nan 8.270 nan 0.000 0.439 678 F N 2.034 121.968 119.950 -0.028 0.000 2.113 678 F HA -0.175 4.353 4.527 0.002 0.000 0.297 678 F C 2.729 178.566 175.800 0.062 0.000 1.103 678 F CA 1.573 59.580 58.000 0.012 0.000 1.248 678 F CB -0.445 38.554 39.000 -0.001 0.000 0.999 678 F HN -0.010 nan 8.300 nan 0.000 0.475 679 Q N -0.748 119.086 119.800 0.056 0.000 2.152 679 Q HA -0.299 4.042 4.340 0.002 0.000 0.206 679 Q C 2.039 178.055 176.000 0.026 0.000 0.985 679 Q CA 2.229 58.031 55.803 -0.002 0.000 0.863 679 Q CB -0.301 28.508 28.738 0.119 0.000 0.904 679 Q HN 0.537 nan 8.270 nan 0.000 0.422 680 H N -0.578 118.434 119.070 -0.097 0.000 2.357 680 H HA -0.003 4.554 4.556 0.002 0.000 0.301 680 H C 1.845 177.111 175.328 -0.102 0.000 1.082 680 H CA 1.490 57.493 56.048 -0.075 0.000 1.342 680 H CB -0.417 29.326 29.762 -0.032 0.000 1.389 680 H HN 0.432 nan 8.280 nan 0.000 0.511 681 A N 0.285 123.115 122.820 0.018 0.000 1.930 681 A HA -0.098 4.223 4.320 0.002 0.000 0.217 681 A C 2.646 180.146 177.584 -0.140 0.000 1.175 681 A CA 1.448 53.456 52.037 -0.048 0.000 0.627 681 A CB -0.802 18.183 19.000 -0.024 0.000 0.815 681 A HN 0.231 nan 8.150 nan 0.000 0.443 682 V N 0.041 119.770 119.914 -0.307 0.000 2.255 682 V HA -0.302 3.819 4.120 0.002 0.000 0.247 682 V C 2.483 178.481 176.094 -0.159 0.000 1.051 682 V CA 2.383 64.497 62.300 -0.309 0.000 1.018 682 V CB -0.808 30.735 31.823 -0.466 0.000 0.641 682 V HN 0.645 nan 8.190 nan 0.000 0.445 683 E N -0.299 119.817 120.200 -0.141 0.000 2.058 683 E HA -0.314 4.037 4.350 0.002 0.000 0.194 683 E C 2.390 178.943 176.600 -0.078 0.000 0.997 683 E CA 1.687 58.026 56.400 -0.103 0.000 0.801 683 E CB -0.128 29.498 29.700 -0.124 0.000 0.746 683 E HN 0.372 nan 8.360 nan 0.000 0.450 684 R N 0.834 121.296 120.500 -0.064 0.000 2.096 684 R HA -0.134 4.207 4.340 0.002 0.000 0.240 684 R C 2.057 178.340 176.300 -0.030 0.000 1.139 684 R CA 1.427 57.506 56.100 -0.036 0.000 0.952 684 R CB -0.423 29.872 30.300 -0.009 0.000 0.854 684 R HN 0.162 nan 8.270 nan 0.000 0.436 685 L N 0.480 121.683 121.223 -0.034 0.000 2.599 685 L HA 0.144 4.485 4.340 0.002 0.000 0.230 685 L C 0.129 176.986 176.870 -0.022 0.000 1.141 685 L CA 0.217 55.047 54.840 -0.017 0.000 0.877 685 L CB -0.259 41.797 42.059 -0.005 0.000 1.009 685 L HN 0.204 nan 8.230 nan 0.000 0.447 686 K N 1.117 121.493 120.400 -0.039 0.000 3.393 686 K HA -0.144 4.177 4.320 0.002 0.000 0.272 686 K C -0.834 175.742 176.600 -0.039 0.000 1.004 686 K CA 0.396 56.659 56.287 -0.041 0.000 0.764 686 K CB -1.390 31.090 32.500 -0.033 0.000 1.373 686 K HN 0.257 nan 8.250 nan 0.000 0.458 687 L N 0.159 121.353 121.223 -0.048 0.000 2.333 687 L HA 0.446 4.787 4.340 0.002 0.000 0.269 687 L C 0.528 177.367 176.870 -0.050 0.000 1.010 687 L CA -1.177 53.641 54.840 -0.037 0.000 0.818 687 L CB 1.618 43.669 42.059 -0.013 0.000 1.306 687 L HN 0.013 nan 8.230 nan 0.000 0.430 688 K N 2.332 122.699 120.400 -0.054 0.000 2.276 688 K HA 0.301 4.622 4.320 0.002 0.000 0.283 688 K C -0.834 175.780 176.600 0.022 0.000 1.044 688 K CA -0.098 56.138 56.287 -0.085 0.000 0.944 688 K CB 1.389 33.714 32.500 -0.292 0.000 1.012 688 K HN 0.519 nan 8.250 nan 0.000 0.472 689 Q N 3.608 123.455 119.800 0.079 0.000 2.315 689 Q HA 0.341 4.682 4.340 0.002 0.000 0.273 689 Q C -2.570 173.560 176.000 0.217 0.000 1.053 689 Q CA -1.999 53.899 55.803 0.158 0.000 0.817 689 Q CB 2.162 30.937 28.738 0.061 0.000 1.326 689 Q HN 0.306 nan 8.270 nan 0.000 0.423 690 P HA 0.065 nan 4.420 nan 0.000 0.266 690 P C -1.073 176.304 177.300 0.129 0.000 1.195 690 P CA -0.029 63.183 63.100 0.185 0.000 0.768 690 P CB 0.430 32.187 31.700 0.096 0.000 0.838 691 A N 3.334 126.220 122.820 0.111 0.000 2.540 691 A HA 0.265 4.586 4.320 0.002 0.000 0.239 691 A C 0.452 178.071 177.584 0.058 0.000 1.061 691 A CA 0.175 52.247 52.037 0.060 0.000 0.758 691 A CB -0.960 18.046 19.000 0.011 0.000 0.991 691 A HN 0.787 nan 8.150 nan 0.000 0.502 692 N N 0.095 118.819 118.700 0.041 0.000 2.357 692 N HA 0.791 5.532 4.740 0.002 0.000 0.284 692 N C -0.813 174.713 175.510 0.027 0.000 1.236 692 N CA -0.221 52.852 53.050 0.038 0.000 0.774 692 N CB 2.022 40.542 38.487 0.054 0.000 1.534 692 N HN 0.823 nan 8.380 nan 0.000 0.478 693 A N -0.163 122.672 122.820 0.025 0.000 2.532 693 A HA 0.853 5.174 4.320 0.002 0.000 0.290 693 A C -1.248 176.358 177.584 0.037 0.000 1.143 693 A CA -0.699 51.354 52.037 0.027 0.000 0.728 693 A CB 1.601 20.612 19.000 0.020 0.000 1.317 693 A HN 0.620 nan 8.150 nan 0.000 0.414 694 T N 1.215 115.794 114.554 0.041 0.000 3.038 694 T HA 0.469 4.820 4.350 0.002 0.000 0.344 694 T C -0.922 173.809 174.700 0.051 0.000 1.054 694 T CA -0.210 61.919 62.100 0.048 0.000 1.092 694 T CB 0.566 69.463 68.868 0.047 0.000 1.031 694 T HN 0.533 nan 8.240 nan 0.000 0.482 695 V N 3.155 123.111 119.914 0.070 0.000 2.439 695 V HA 0.347 4.468 4.120 0.002 0.000 0.282 695 V C 1.124 177.270 176.094 0.086 0.000 1.039 695 V CA -0.327 62.019 62.300 0.077 0.000 0.913 695 V CB 1.559 33.449 31.823 0.110 0.000 0.983 695 V HN 0.917 nan 8.190 nan 0.000 0.460 696 T N 1.990 116.575 114.554 0.050 0.000 3.038 696 T HA 0.356 4.707 4.350 0.002 0.000 0.244 696 T C 0.569 175.279 174.700 0.017 0.000 1.016 696 T CA 0.677 62.803 62.100 0.043 0.000 1.098 696 T CB 0.517 69.400 68.868 0.026 0.000 0.954 696 T HN 0.753 nan 8.240 nan 0.000 0.469 697 A N 0.450 123.254 122.820 -0.028 0.000 2.355 697 A HA 0.690 5.011 4.320 0.002 0.000 0.324 697 A C 0.788 178.233 177.584 -0.232 0.000 1.117 697 A CA -0.656 51.323 52.037 -0.096 0.000 0.785 697 A CB 0.621 19.578 19.000 -0.072 0.000 1.254 697 A HN 0.065 nan 8.150 nan 0.000 0.453 698 I N 1.021 121.352 120.570 -0.397 0.000 2.068 698 I HA -0.252 3.919 4.170 0.002 0.000 0.238 698 I C 2.175 178.044 176.117 -0.414 0.000 1.046 698 I CA 1.865 62.725 61.300 -0.733 0.000 1.306 698 I CB -0.457 37.236 38.000 -0.512 0.000 1.023 698 I HN 0.712 nan 8.210 nan 0.000 0.399 699 E N -0.329 119.741 120.200 -0.216 0.000 2.265 699 E HA -0.231 4.120 4.350 0.002 0.000 0.196 699 E C 2.190 178.749 176.600 -0.069 0.000 0.996 699 E CA 1.015 57.351 56.400 -0.107 0.000 0.832 699 E CB -0.531 29.128 29.700 -0.069 0.000 0.756 699 E HN 0.559 nan 8.360 nan 0.000 0.491 700 M N 0.077 119.628 119.600 -0.081 0.000 2.200 700 M HA -0.076 4.405 4.480 0.002 0.000 0.265 700 M C 2.092 178.386 176.300 -0.009 0.000 1.066 700 M CA 1.321 56.599 55.300 -0.036 0.000 1.127 700 M CB 0.047 32.626 32.600 -0.034 0.000 1.379 700 M HN 0.111 nan 8.290 nan 0.000 0.420 701 A N -0.391 122.415 122.820 -0.023 0.000 1.854 701 A HA -0.095 4.226 4.320 0.002 0.000 0.214 701 A C 1.916 179.554 177.584 0.090 0.000 1.192 701 A CA 1.668 53.748 52.037 0.073 0.000 0.611 701 A CB -1.112 17.984 19.000 0.160 0.000 0.832 701 A HN 0.374 nan 8.150 nan 0.000 0.442 702 V N 0.296 120.255 119.914 0.076 0.000 2.453 702 V HA -0.265 3.856 4.120 0.002 0.000 0.252 702 V C 2.416 178.571 176.094 0.103 0.000 1.068 702 V CA 2.514 64.889 62.300 0.126 0.000 1.070 702 V CB -0.985 30.898 31.823 0.100 0.000 0.664 702 V HN 0.727 nan 8.190 nan 0.000 0.461 703 E N 0.996 121.228 120.200 0.054 0.000 2.042 703 E HA -0.130 4.221 4.350 0.002 0.000 0.189 703 E C 2.095 178.714 176.600 0.032 0.000 0.974 703 E CA 1.021 57.447 56.400 0.042 0.000 0.806 703 E CB -0.281 29.433 29.700 0.022 0.000 0.769 703 E HN 0.324 nan 8.360 nan 0.000 0.451 704 K N 0.272 120.685 120.400 0.022 0.000 2.211 704 K HA 0.007 4.328 4.320 0.002 0.000 0.204 704 K C 1.764 178.353 176.600 -0.018 0.000 1.047 704 K CA 1.200 57.492 56.287 0.008 0.000 0.935 704 K CB -0.557 31.953 32.500 0.016 0.000 0.728 704 K HN 0.260 nan 8.250 nan 0.000 0.452 705 A N 0.259 123.065 122.820 -0.023 0.000 1.898 705 A HA -0.165 4.156 4.320 0.002 0.000 0.216 705 A C 1.979 179.472 177.584 -0.152 0.000 1.181 705 A CA 1.718 53.662 52.037 -0.155 0.000 0.620 705 A CB -0.371 18.540 19.000 -0.148 0.000 0.819 705 A HN 0.216 nan 8.150 nan 0.000 0.442 706 K N -0.154 120.266 120.400 0.033 0.000 2.103 706 K HA -0.157 4.164 4.320 0.002 0.000 0.207 706 K C 2.020 178.637 176.600 0.029 0.000 1.048 706 K CA 1.723 58.070 56.287 0.101 0.000 0.930 706 K CB -0.136 32.427 32.500 0.106 0.000 0.716 706 K HN 0.665 nan 8.250 nan 0.000 0.444 707 E N 0.151 120.350 120.200 -0.002 0.000 2.007 707 E HA -0.186 4.165 4.350 0.002 0.000 0.194 707 E C 1.974 178.547 176.600 -0.045 0.000 0.999 707 E CA 1.484 57.874 56.400 -0.016 0.000 0.811 707 E CB -0.080 29.612 29.700 -0.013 0.000 0.762 707 E HN 0.211 nan 8.360 nan 0.000 0.450 708 I N 0.102 120.632 120.570 -0.067 0.000 2.163 708 I HA -0.149 4.022 4.170 0.002 0.000 0.243 708 I C 1.090 177.126 176.117 -0.134 0.000 1.085 708 I CA 1.019 62.267 61.300 -0.087 0.000 1.347 708 I CB -0.388 37.564 38.000 -0.079 0.000 1.044 708 I HN 0.292 nan 8.210 nan 0.000 0.408 709 G N -0.499 108.218 108.800 -0.138 0.000 2.907 709 G HA2 -0.194 3.767 3.960 0.002 0.000 0.686 709 G HA3 -0.194 3.767 3.960 0.002 0.000 0.686 709 G C -0.790 174.114 174.900 0.006 0.000 1.115 709 G CA -0.961 44.101 45.100 -0.063 0.000 0.760 709 G HN 0.073 nan 8.290 nan 0.000 0.620 710 Y N 2.202 122.584 120.300 0.138 0.000 2.300 710 Y HA 0.528 5.079 4.550 0.002 0.000 0.328 710 Y C -0.831 175.188 175.900 0.200 0.000 1.270 710 Y CA -1.136 57.044 58.100 0.133 0.000 1.352 710 Y CB 0.560 39.073 38.460 0.088 0.000 1.286 710 Y HN 0.543 nan 8.280 nan 0.000 0.536 711 P HA 0.244 nan 4.420 nan 0.000 0.274 711 P C -1.292 175.956 177.300 -0.087 0.000 1.246 711 P CA -0.306 62.786 63.100 -0.014 0.000 0.795 711 P CB 1.018 32.475 31.700 -0.404 0.000 1.006 712 L N 0.577 121.696 121.223 -0.175 0.000 2.354 712 L HA 0.400 4.741 4.340 0.002 0.000 0.269 712 L C -0.659 176.076 176.870 -0.224 0.000 1.005 712 L CA -0.734 53.995 54.840 -0.186 0.000 0.819 712 L CB 2.335 44.254 42.059 -0.233 0.000 1.311 712 L HN 0.030 nan 8.230 nan 0.000 0.423 713 V N 4.298 124.118 119.914 -0.157 0.000 2.275 713 V HA 0.249 4.370 4.120 0.002 0.000 0.272 713 V C -0.407 175.584 176.094 -0.172 0.000 1.028 713 V CA -0.698 61.505 62.300 -0.162 0.000 0.810 713 V CB 1.417 33.211 31.823 -0.048 0.000 1.043 713 V HN 0.436 nan 8.190 nan 0.000 0.453 714 V N 6.134 125.882 119.914 -0.276 0.000 2.326 714 V HA 0.292 4.413 4.120 0.002 0.000 0.249 714 V C 0.712 176.674 176.094 -0.219 0.000 1.114 714 V CA -0.263 61.842 62.300 -0.324 0.000 1.028 714 V CB -0.604 30.813 31.823 -0.677 0.000 1.170 714 V HN 0.697 nan 8.190 nan 0.000 0.494 715 R N 4.958 125.391 120.500 -0.111 0.000 2.229 715 R HA 0.521 4.862 4.340 0.002 0.000 0.328 715 R C -1.928 174.360 176.300 -0.020 0.000 1.009 715 R CA -0.942 55.126 56.100 -0.053 0.000 0.864 715 R CB 1.691 31.974 30.300 -0.027 0.000 1.085 715 R HN 0.555 nan 8.270 nan 0.000 0.453 725 M N 1.011 120.604 119.600 -0.012 0.000 2.550 725 M HA 0.659 5.140 4.480 0.002 0.000 0.292 725 M C -0.593 175.668 176.300 -0.066 0.000 1.221 725 M CA -0.343 54.931 55.300 -0.043 0.000 0.873 725 M CB 2.679 35.263 32.600 -0.028 0.000 1.727 725 M HN 0.948 nan 8.290 nan 0.000 0.459 726 E N 1.461 121.565 120.200 -0.161 0.000 2.408 726 E HA 0.629 4.980 4.350 0.002 0.000 0.275 726 E C -1.918 174.512 176.600 -0.283 0.000 0.935 726 E CA -0.618 55.666 56.400 -0.192 0.000 0.775 726 E CB 2.264 31.898 29.700 -0.110 0.000 1.277 726 E HN 0.653 nan 8.360 nan 0.000 0.455 727 I N 3.235 123.648 120.570 -0.262 0.000 2.420 727 I HA 0.301 4.472 4.170 0.002 0.000 0.282 727 I C -0.854 175.117 176.117 -0.244 0.000 1.019 727 I CA -0.899 60.178 61.300 -0.372 0.000 1.130 727 I CB 1.601 39.250 38.000 -0.585 0.000 1.262 727 I HN 0.295 nan 8.210 nan 0.000 0.454 728 V N 6.436 126.211 119.914 -0.232 0.000 2.617 728 V HA 0.196 4.317 4.120 0.002 0.000 0.298 728 V C -0.041 176.054 176.094 0.002 0.000 1.048 728 V CA -0.089 62.198 62.300 -0.022 0.000 0.964 728 V CB 1.594 33.415 31.823 -0.004 0.000 1.004 728 V HN 0.581 nan 8.190 nan 0.000 0.466 729 Y N 0.665 121.030 120.300 0.108 0.000 2.483 729 Y HA 0.229 4.780 4.550 0.002 0.000 0.258 729 Y C 0.646 176.565 175.900 0.031 0.000 1.083 729 Y CA -0.342 57.836 58.100 0.130 0.000 1.283 729 Y CB 0.677 39.158 38.460 0.035 0.000 1.178 729 Y HN 0.851 nan 8.280 nan 0.000 0.515 730 D N -1.856 118.519 120.400 -0.042 0.000 2.615 730 D HA 0.050 4.691 4.640 0.002 0.000 0.267 730 D C 0.609 176.617 176.300 -0.485 0.000 1.236 730 D CA -0.546 53.078 54.000 -0.626 0.000 0.839 730 D CB 0.724 41.349 40.800 -0.290 0.000 1.380 730 D HN 0.002 nan 8.370 nan 0.000 0.433 731 E N 0.288 120.141 120.200 -0.579 0.000 2.086 731 E HA -0.297 4.054 4.350 0.002 0.000 0.200 731 E C 1.797 178.420 176.600 0.039 0.000 1.012 731 E CA 1.917 58.267 56.400 -0.084 0.000 0.812 731 E CB -0.225 29.442 29.700 -0.055 0.000 0.743 731 E HN 0.542 nan 8.360 nan 0.000 0.453 732 A N 0.681 123.493 122.820 -0.013 0.000 1.972 732 A HA -0.215 4.106 4.320 0.002 0.000 0.219 732 A C 1.745 179.371 177.584 0.069 0.000 1.169 732 A CA 1.960 54.014 52.037 0.028 0.000 0.635 732 A CB -0.456 18.544 19.000 -0.001 0.000 0.810 732 A HN 0.275 nan 8.150 nan 0.000 0.446 733 D N -0.933 119.510 120.400 0.071 0.000 2.123 733 D HA -0.081 4.560 4.640 0.002 0.000 0.200 733 D C 1.798 178.208 176.300 0.184 0.000 0.976 733 D CA 0.669 54.740 54.000 0.118 0.000 0.831 733 D CB -0.113 40.767 40.800 0.134 0.000 0.974 733 D HN 0.238 nan 8.370 nan 0.000 0.469 734 L N 1.495 122.862 121.223 0.240 0.000 1.990 734 L HA -0.190 4.151 4.340 0.002 0.000 0.213 734 L C 1.962 179.112 176.870 0.467 0.000 1.072 734 L CA 1.789 56.837 54.840 0.346 0.000 0.755 734 L CB -0.664 41.660 42.059 0.442 0.000 0.889 734 L HN 0.041 nan 8.230 nan 0.000 0.432 735 R N -1.022 119.689 120.500 0.352 0.000 2.080 735 R HA -0.190 4.151 4.340 0.002 0.000 0.236 735 R C 2.301 178.769 176.300 0.279 0.000 1.137 735 R CA 1.312 57.605 56.100 0.323 0.000 0.943 735 R CB -0.850 29.552 30.300 0.169 0.000 0.846 735 R HN 0.343 nan 8.270 nan 0.000 0.431 736 R N 0.616 121.230 120.500 0.190 0.000 2.133 736 R HA -0.276 4.065 4.340 0.002 0.000 0.245 736 R C 2.276 178.652 176.300 0.126 0.000 1.137 736 R CA 2.344 58.521 56.100 0.130 0.000 0.947 736 R CB -0.632 29.732 30.300 0.106 0.000 0.865 736 R HN 0.366 nan 8.270 nan 0.000 0.437 737 Y N 0.127 120.443 120.300 0.026 0.000 2.070 737 Y HA -0.285 4.265 4.550 0.001 0.000 0.280 737 Y C 2.073 177.935 175.900 -0.063 0.000 1.148 737 Y CA 2.130 60.188 58.100 -0.070 0.000 1.125 737 Y CB -0.749 37.585 38.460 -0.209 0.000 0.975 737 Y HN 0.015 nan 8.280 nan 0.000 0.492 738 F N 1.284 121.297 119.950 0.106 0.000 2.141 738 F HA -0.374 4.153 4.527 0.001 0.000 0.300 738 F C 2.738 178.468 175.800 -0.118 0.000 1.079 738 F CA 2.236 60.239 58.000 0.005 0.000 1.264 738 F CB -0.965 38.103 39.000 0.113 0.000 1.011 738 F HN 0.330 nan 8.300 nan 0.000 0.487 739 Q N 0.041 119.892 119.800 0.085 0.000 1.990 739 Q HA -0.216 4.125 4.340 0.002 0.000 0.200 739 Q C 2.361 178.315 176.000 -0.076 0.000 0.980 739 Q CA 2.706 58.519 55.803 0.017 0.000 0.832 739 Q CB -0.416 28.335 28.738 0.021 0.000 0.897 739 Q HN 0.467 nan 8.270 nan 0.000 0.427 740 T N -0.843 113.618 114.554 -0.155 0.000 2.788 740 T HA 0.064 4.415 4.350 0.002 0.000 0.268 740 T C 1.042 175.571 174.700 -0.285 0.000 1.044 740 T CA 0.597 62.581 62.100 -0.193 0.000 1.139 740 T CB -0.643 68.111 68.868 -0.191 0.000 0.867 740 T HN 0.465 nan 8.240 nan 0.000 0.454 751 L N 5.008 126.251 121.223 0.033 0.000 2.397 751 L HA 0.521 4.862 4.340 0.002 0.000 0.271 751 L C -0.678 176.192 176.870 -0.000 0.000 1.148 751 L CA -0.080 54.774 54.840 0.023 0.000 0.825 751 L CB 0.964 43.034 42.059 0.018 0.000 1.117 751 L HN 0.445 nan 8.230 nan 0.000 0.456 752 L N 3.396 124.623 121.223 0.005 0.000 2.349 752 L HA 0.461 4.802 4.340 0.002 0.000 0.278 752 L C -1.041 175.822 176.870 -0.012 0.000 0.996 752 L CA -0.191 54.637 54.840 -0.021 0.000 0.825 752 L CB 1.560 43.616 42.059 -0.006 0.000 1.243 752 L HN 0.502 nan 8.230 nan 0.000 0.412 753 D N 0.090 120.475 120.400 -0.026 0.000 2.780 753 D HA 0.288 4.929 4.640 0.002 0.000 0.242 753 D C -0.868 175.439 176.300 0.012 0.000 1.135 753 D CA -0.519 53.486 54.000 0.009 0.000 0.859 753 D CB 1.354 42.164 40.800 0.018 0.000 1.530 753 D HN 0.448 nan 8.370 nan 0.000 0.493 754 H N 1.801 120.840 119.070 -0.052 0.000 2.886 754 H HA 0.182 4.739 4.556 0.002 0.000 0.329 754 H C -1.042 174.262 175.328 -0.040 0.000 1.044 754 H CA -0.089 55.920 56.048 -0.066 0.000 1.456 754 H CB 0.255 29.969 29.762 -0.081 0.000 1.464 754 H HN 0.261 nan 8.280 nan 0.000 0.573 755 F N 6.555 126.053 119.950 -0.753 0.000 2.421 755 F HA 0.251 4.779 4.527 0.002 0.000 0.358 755 F C -0.902 174.450 175.800 -0.746 0.000 1.115 755 F CA -0.966 56.678 58.000 -0.594 0.000 1.160 755 F CB 0.267 38.999 39.000 -0.447 0.000 1.123 755 F HN 0.517 nan 8.300 nan 0.000 0.508 756 L N 6.558 127.052 121.223 -1.215 0.000 2.385 756 L HA 0.148 4.489 4.340 0.002 0.000 0.285 756 L C 0.313 176.456 176.870 -1.213 0.000 1.125 756 L CA -0.346 53.894 54.840 -0.999 0.000 0.890 756 L CB -0.519 41.095 42.059 -0.742 0.000 1.251 756 L HN 0.560 nan 8.230 nan 0.000 0.445 757 D N 2.974 122.842 120.400 -0.885 0.000 2.361 757 D HA -0.063 4.578 4.640 0.002 0.000 0.239 757 D C 0.523 176.673 176.300 -0.249 0.000 1.200 757 D CA 0.116 53.854 54.000 -0.437 0.000 0.915 757 D CB 0.660 41.426 40.800 -0.057 0.000 1.170 757 D HN 0.499 nan 8.370 nan 0.000 0.444 758 D N -0.548 119.806 120.400 -0.077 0.000 2.720 758 D HA -0.190 4.451 4.640 0.002 0.000 0.229 758 D C -0.658 175.594 176.300 -0.080 0.000 1.198 758 D CA 0.678 54.656 54.000 -0.037 0.000 0.639 758 D CB -0.971 39.829 40.800 0.000 0.000 1.003 758 D HN 0.344 nan 8.370 nan 0.000 0.411 759 A N -0.166 122.584 122.820 -0.117 0.000 2.374 759 A HA 0.621 4.942 4.320 0.002 0.000 0.317 759 A C 0.026 177.571 177.584 -0.065 0.000 1.094 759 A CA -0.647 51.319 52.037 -0.117 0.000 0.765 759 A CB 1.977 20.852 19.000 -0.208 0.000 1.268 759 A HN 0.053 nan 8.150 nan 0.000 0.438 760 V N 1.924 121.805 119.914 -0.055 0.000 2.498 760 V HA 0.255 4.376 4.120 0.002 0.000 0.279 760 V C 0.471 176.523 176.094 -0.069 0.000 1.048 760 V CA -0.259 62.013 62.300 -0.047 0.000 0.967 760 V CB 1.122 32.905 31.823 -0.067 0.000 0.988 760 V HN 0.943 nan 8.190 nan 0.000 0.473 761 E N 3.310 123.441 120.200 -0.115 0.000 2.231 761 E HA 0.637 4.988 4.350 0.002 0.000 0.277 761 E C -1.535 174.736 176.600 -0.549 0.000 0.999 761 E CA -0.393 55.827 56.400 -0.300 0.000 0.827 761 E CB 1.900 31.438 29.700 -0.271 0.000 1.101 761 E HN 0.489 nan 8.360 nan 0.000 0.393 762 V N 3.837 123.533 119.914 -0.363 0.000 2.841 762 V HA 0.304 4.425 4.120 0.002 0.000 0.310 762 V C -0.704 175.382 176.094 -0.013 0.000 1.090 762 V CA -0.916 61.282 62.300 -0.169 0.000 0.930 762 V CB 2.236 34.079 31.823 0.033 0.000 1.014 762 V HN 0.723 nan 8.190 nan 0.000 0.425 763 D N 1.748 122.210 120.400 0.103 0.000 2.362 763 D HA 0.656 5.297 4.640 0.002 0.000 0.247 763 D C -1.334 175.074 176.300 0.180 0.000 1.050 763 D CA -0.112 53.989 54.000 0.168 0.000 0.839 763 D CB 2.677 43.612 40.800 0.226 0.000 1.283 763 D HN 0.285 nan 8.370 nan 0.000 0.477 764 V N 2.733 122.748 119.914 0.167 0.000 2.525 764 V HA 0.234 4.355 4.120 0.002 0.000 0.299 764 V C -0.603 175.553 176.094 0.104 0.000 1.034 764 V CA -0.890 61.506 62.300 0.161 0.000 0.863 764 V CB 2.124 34.092 31.823 0.241 0.000 0.999 764 V HN 0.399 nan 8.190 nan 0.000 0.423 765 D N 3.646 124.097 120.400 0.085 0.000 2.233 765 D HA 0.812 5.453 4.640 0.002 0.000 0.240 765 D C -0.063 176.261 176.300 0.040 0.000 1.074 765 D CA 0.245 54.278 54.000 0.056 0.000 0.838 765 D CB 2.179 43.009 40.800 0.051 0.000 1.124 765 D HN 0.830 nan 8.370 nan 0.000 0.475 766 A N 2.420 125.256 122.820 0.027 0.000 2.569 766 A HA 0.811 5.132 4.320 0.002 0.000 0.290 766 A C -1.138 176.449 177.584 0.004 0.000 1.136 766 A CA -0.625 51.418 52.037 0.010 0.000 0.710 766 A CB 1.248 20.246 19.000 -0.002 0.000 1.303 766 A HN 0.493 nan 8.150 nan 0.000 0.413 767 I N -0.111 120.454 120.570 -0.008 0.000 2.608 767 I HA 0.509 4.680 4.170 0.002 0.000 0.295 767 I C -0.861 175.233 176.117 -0.039 0.000 1.049 767 I CA -0.559 60.740 61.300 -0.002 0.000 1.063 767 I CB 1.959 39.972 38.000 0.022 0.000 1.248 767 I HN 0.644 nan 8.210 nan 0.000 0.424 768 C N 4.764 124.038 119.300 -0.043 0.000 2.441 768 C HA 0.479 4.940 4.460 0.002 0.000 0.318 768 C C 0.199 175.186 174.990 -0.006 0.000 1.222 768 C CA -0.411 58.557 59.018 -0.082 0.000 1.474 768 C CB 0.892 28.530 27.740 -0.171 0.000 2.125 768 C HN 0.938 nan 8.230 nan 0.000 0.479 769 D N 1.766 122.185 120.400 0.033 0.000 2.479 769 D HA 0.281 4.922 4.640 0.002 0.000 0.218 769 D C 1.315 177.674 176.300 0.097 0.000 1.177 769 D CA 0.633 54.669 54.000 0.060 0.000 0.830 769 D CB 0.067 40.901 40.800 0.057 0.000 1.014 769 D HN 1.300 nan 8.370 nan 0.000 0.503 770 G N 0.552 109.443 108.800 0.152 0.000 2.268 770 G HA2 -0.373 3.588 3.960 0.002 0.000 0.240 770 G HA3 -0.373 3.588 3.960 0.002 0.000 0.240 770 G C 0.997 176.068 174.900 0.284 0.000 1.010 770 G CA 0.439 45.670 45.100 0.218 0.000 0.618 770 G HN 0.428 nan 8.290 nan 0.000 0.516 771 E N -0.455 119.894 120.200 0.249 0.000 2.152 771 E HA 0.443 4.794 4.350 0.002 0.000 0.195 771 E C 1.410 178.190 176.600 0.300 0.000 0.934 771 E CA 0.906 57.420 56.400 0.189 0.000 0.869 771 E CB 0.126 29.891 29.700 0.109 0.000 0.842 771 E HN 0.743 nan 8.360 nan 0.000 0.472 772 M N -1.170 118.603 119.600 0.287 0.000 2.667 772 M HA 0.571 5.052 4.480 0.002 0.000 0.286 772 M C -1.349 175.008 176.300 0.095 0.000 1.270 772 M CA -1.022 54.442 55.300 0.273 0.000 0.826 772 M CB 2.454 35.141 32.600 0.145 0.000 1.743 772 M HN -0.331 nan 8.290 nan 0.000 0.460 773 V N 2.335 122.261 119.914 0.019 0.000 2.409 773 V HA 0.541 4.662 4.120 0.002 0.000 0.291 773 V C -1.052 175.026 176.094 -0.026 0.000 1.020 773 V CA -0.660 61.574 62.300 -0.109 0.000 0.848 773 V CB 1.533 33.191 31.823 -0.274 0.000 0.990 773 V HN 0.759 nan 8.190 nan 0.000 0.430 774 L N 6.386 127.595 121.223 -0.025 0.000 2.282 774 L HA 0.581 4.922 4.340 0.002 0.000 0.288 774 L C -0.370 176.495 176.870 -0.009 0.000 1.033 774 L CA 0.030 54.866 54.840 -0.007 0.000 0.807 774 L CB 1.003 43.062 42.059 0.001 0.000 1.209 774 L HN 0.431 nan 8.230 nan 0.000 0.423 775 I N 5.766 126.334 120.570 -0.004 0.000 2.379 775 I HA 0.179 4.350 4.170 0.002 0.000 0.290 775 I C 1.365 177.482 176.117 0.001 0.000 1.063 775 I CA 0.330 61.631 61.300 0.003 0.000 1.351 775 I CB 0.681 38.684 38.000 0.005 0.000 1.410 775 I HN 0.875 nan 8.210 nan 0.000 0.505 776 G N 5.413 114.219 108.800 0.009 0.000 2.395 776 G HA2 0.234 4.195 3.960 0.002 0.000 0.214 776 G HA3 0.234 4.195 3.960 0.002 0.000 0.214 776 G C 0.637 175.538 174.900 0.002 0.000 1.177 776 G CA 0.588 45.690 45.100 0.003 0.000 0.794 776 G HN 0.767 nan 8.290 nan 0.000 0.532 777 G N -0.850 107.966 108.800 0.026 0.000 2.691 777 G HA2 0.456 4.417 3.960 0.002 0.000 0.298 777 G HA3 0.456 4.417 3.960 0.002 0.000 0.298 777 G C -1.506 173.440 174.900 0.076 0.000 1.471 777 G CA -0.824 44.298 45.100 0.038 0.000 0.912 777 G HN 0.150 nan 8.290 nan 0.000 0.553 778 I N 1.880 122.495 120.570 0.075 0.000 2.330 778 I HA 0.399 4.569 4.170 0.002 0.000 0.289 778 I C -0.060 176.143 176.117 0.144 0.000 1.001 778 I CA -0.417 60.940 61.300 0.096 0.000 1.193 778 I CB 1.696 39.728 38.000 0.054 0.000 1.345 778 I HN 0.225 nan 8.210 nan 0.000 0.461 779 M N 6.089 125.803 119.600 0.190 0.000 2.167 779 M HA 0.314 4.795 4.480 0.002 0.000 0.333 779 M C -0.280 176.172 176.300 0.252 0.000 1.030 779 M CA -0.332 55.127 55.300 0.265 0.000 0.963 779 M CB 1.842 34.634 32.600 0.320 0.000 1.589 779 M HN 0.448 nan 8.290 nan 0.000 0.431 780 E N 3.561 123.929 120.200 0.280 0.000 2.146 780 E HA 0.227 4.578 4.350 0.002 0.000 0.282 780 E C -0.975 175.855 176.600 0.383 0.000 0.989 780 E CA -0.395 56.154 56.400 0.248 0.000 0.799 780 E CB 0.795 30.619 29.700 0.207 0.000 1.088 780 E HN 0.655 nan 8.360 nan 0.000 0.397 781 H N 3.172 122.354 119.070 0.185 0.000 2.607 781 H HA 0.065 4.622 4.556 0.002 0.000 0.367 781 H C 0.736 176.217 175.328 0.255 0.000 1.181 781 H CA -0.886 55.277 56.048 0.191 0.000 1.402 781 H CB 1.172 31.014 29.762 0.133 0.000 1.474 781 H HN 0.531 nan 8.280 nan 0.000 0.596 782 I N 0.698 121.512 120.570 0.407 0.000 2.270 782 I HA -0.101 4.070 4.170 0.002 0.000 0.239 782 I C 0.573 176.860 176.117 0.283 0.000 1.080 782 I CA 0.972 62.488 61.300 0.359 0.000 1.383 782 I CB -0.147 38.047 38.000 0.322 0.000 1.097 782 I HN 0.587 nan 8.210 nan 0.000 0.420 783 E N 2.196 122.550 120.200 0.257 0.000 2.392 783 E HA 0.058 4.409 4.350 0.002 0.000 0.264 783 E C 0.170 176.909 176.600 0.232 0.000 1.024 783 E CA -0.263 56.269 56.400 0.220 0.000 0.903 783 E CB 0.190 30.003 29.700 0.188 0.000 0.963 783 E HN 0.158 nan 8.360 nan 0.000 0.432 784 Q N 1.507 121.417 119.800 0.185 0.000 2.584 784 Q HA 0.247 4.588 4.340 0.002 0.000 0.218 784 Q C -0.322 175.778 176.000 0.166 0.000 1.079 784 Q CA -0.497 55.393 55.803 0.146 0.000 1.008 784 Q CB 0.359 29.170 28.738 0.121 0.000 1.267 784 Q HN 0.479 nan 8.270 nan 0.000 0.586 785 A N -0.398 122.478 122.820 0.093 0.000 2.511 785 A HA 0.445 4.766 4.320 0.002 0.000 0.242 785 A C 1.104 178.836 177.584 0.246 0.000 1.069 785 A CA 0.751 52.844 52.037 0.094 0.000 0.763 785 A CB -0.764 18.205 19.000 -0.052 0.000 1.001 785 A HN 1.401 nan 8.150 nan 0.000 0.498 786 G N 0.636 109.611 108.800 0.292 0.000 2.284 786 G HA2 -0.092 3.869 3.960 0.002 0.000 0.201 786 G HA3 -0.092 3.869 3.960 0.002 0.000 0.201 786 G C 0.012 175.021 174.900 0.180 0.000 0.998 786 G CA 0.041 45.344 45.100 0.339 0.000 0.651 786 G HN 1.410 nan 8.290 nan 0.000 0.489 787 V N 3.080 123.107 119.914 0.189 0.000 2.334 787 V HA 0.415 4.536 4.120 0.002 0.000 0.281 787 V C 0.665 176.864 176.094 0.175 0.000 1.016 787 V CA -1.047 61.357 62.300 0.173 0.000 0.832 787 V CB 1.282 33.207 31.823 0.170 0.000 0.999 787 V HN 0.413 nan 8.190 nan 0.000 0.439 788 H N 3.694 122.816 119.070 0.087 0.000 3.209 788 H HA -0.100 4.457 4.556 0.002 0.000 0.297 788 H C 1.697 177.044 175.328 0.032 0.000 0.936 788 H CA 1.119 57.206 56.048 0.064 0.000 1.392 788 H CB 1.072 30.854 29.762 0.033 0.000 1.349 788 H HN 0.919 nan 8.280 nan 0.000 0.568 789 S N 2.802 118.405 115.700 -0.161 0.000 2.392 789 S HA -0.176 4.295 4.470 0.002 0.000 0.232 789 S C 2.234 176.787 174.600 -0.077 0.000 1.041 789 S CA 1.139 59.259 58.200 -0.133 0.000 1.026 789 S CB -0.513 62.692 63.200 0.007 0.000 0.845 789 S HN 0.725 nan 8.310 nan 0.000 0.465 790 G N 0.640 109.610 108.800 0.283 0.000 2.534 790 G HA2 -0.005 3.956 3.960 0.002 0.000 0.217 790 G HA3 -0.005 3.956 3.960 0.002 0.000 0.217 790 G C 0.722 175.657 174.900 0.058 0.000 1.128 790 G CA 0.726 45.937 45.100 0.186 0.000 0.784 790 G HN 0.558 nan 8.290 nan 0.000 0.542 791 D N -0.218 120.233 120.400 0.085 0.000 2.440 791 D HA 0.211 4.852 4.640 0.002 0.000 0.216 791 D C 0.447 176.748 176.300 0.003 0.000 1.150 791 D CA 0.022 54.043 54.000 0.035 0.000 0.832 791 D CB 0.796 41.647 40.800 0.085 0.000 0.992 791 D HN 0.071 nan 8.370 nan 0.000 0.502 792 S N 0.295 115.945 115.700 -0.083 0.000 2.608 792 S HA 0.733 5.204 4.470 0.002 0.000 0.291 792 S C 0.212 174.739 174.600 -0.121 0.000 1.146 792 S CA -0.809 57.331 58.200 -0.100 0.000 1.043 792 S CB 2.108 65.155 63.200 -0.256 0.000 1.037 792 S HN 0.201 nan 8.310 nan 0.000 0.520 793 A N 0.763 123.584 122.820 0.002 0.000 2.304 793 A HA 0.681 5.002 4.320 0.002 0.000 0.271 793 A C 0.295 177.911 177.584 0.053 0.000 1.091 793 A CA -0.574 51.469 52.037 0.010 0.000 0.812 793 A CB -0.355 18.744 19.000 0.165 0.000 1.056 793 A HN 1.242 nan 8.150 nan 0.000 0.489 794 C N -0.490 118.825 119.300 0.026 0.000 3.241 794 C HA 0.882 5.343 4.460 0.002 0.000 0.312 794 C C -0.202 174.941 174.990 0.256 0.000 1.350 794 C CA -0.472 58.642 59.018 0.160 0.000 1.415 794 C CB 0.964 28.789 27.740 0.141 0.000 1.770 794 C HN 1.118 nan 8.230 nan 0.000 0.466 795 S N 0.777 116.713 115.700 0.393 0.000 2.482 795 S HA 0.788 5.259 4.470 0.002 0.000 0.303 795 S C -1.274 173.616 174.600 0.483 0.000 1.091 795 S CA -0.526 57.971 58.200 0.494 0.000 1.057 795 S CB 1.097 64.615 63.200 0.531 0.000 1.031 795 S HN 1.023 nan 8.310 nan 0.000 0.485 796 L N 6.562 128.078 121.223 0.489 0.000 2.415 796 L HA 0.586 4.927 4.340 0.002 0.000 0.268 796 L C -2.511 174.468 176.870 0.181 0.000 0.984 796 L CA -2.015 53.003 54.840 0.296 0.000 0.853 796 L CB 2.234 44.404 42.059 0.185 0.000 1.215 796 L HN 0.523 nan 8.230 nan 0.000 0.419 797 P HA 0.256 nan 4.420 nan 0.000 0.282 797 P C -0.693 176.772 177.300 0.276 0.000 1.287 797 P CA -0.471 62.685 63.100 0.092 0.000 0.792 797 P CB 0.659 32.325 31.700 -0.057 0.000 1.163 798 A N 0.166 123.110 122.820 0.207 0.000 2.507 798 A HA 0.102 4.423 4.320 0.002 0.000 0.235 798 A C 0.363 178.135 177.584 0.314 0.000 1.070 798 A CA 0.281 52.461 52.037 0.237 0.000 0.768 798 A CB -0.892 18.159 19.000 0.086 0.000 1.011 798 A HN 0.775 nan 8.150 nan 0.000 0.502 799 Y N -1.006 119.309 120.300 0.024 0.000 2.500 799 Y HA 0.349 4.900 4.550 0.002 0.000 0.246 799 Y C 1.128 176.924 175.900 -0.174 0.000 1.146 799 Y CA 0.478 58.520 58.100 -0.096 0.000 1.230 799 Y CB 0.227 38.364 38.460 -0.538 0.000 1.214 799 Y HN 0.634 nan 8.280 nan 0.000 0.526 800 T N -2.504 111.697 114.554 -0.589 0.000 3.074 800 T HA 0.301 4.652 4.350 0.002 0.000 0.258 800 T C 0.065 174.599 174.700 -0.276 0.000 0.891 800 T CA -0.209 61.588 62.100 -0.505 0.000 0.867 800 T CB -0.570 67.884 68.868 -0.689 0.000 1.261 800 T HN 0.137 nan 8.240 nan 0.000 0.537 801 L N 4.277 125.372 121.223 -0.213 0.000 2.410 801 L HA 0.433 4.774 4.340 0.002 0.000 0.273 801 L C 0.967 177.777 176.870 -0.099 0.000 1.144 801 L CA -0.604 54.154 54.840 -0.137 0.000 0.863 801 L CB 0.739 42.732 42.059 -0.109 0.000 1.140 801 L HN 0.430 nan 8.230 nan 0.000 0.463 802 S N 1.973 117.616 115.700 -0.095 0.000 2.568 802 S HA -0.037 4.434 4.470 0.002 0.000 0.282 802 S C 0.771 175.330 174.600 -0.070 0.000 1.338 802 S CA -0.408 57.747 58.200 -0.076 0.000 1.045 802 S CB 1.321 64.477 63.200 -0.073 0.000 0.873 802 S HN 0.708 nan 8.310 nan 0.000 0.516 803 Q N 1.261 121.027 119.800 -0.057 0.000 2.124 803 Q HA -0.166 4.175 4.340 0.002 0.000 0.202 803 Q C 2.049 178.012 176.000 -0.062 0.000 0.977 803 Q CA 2.276 58.047 55.803 -0.054 0.000 0.850 803 Q CB -0.389 28.323 28.738 -0.043 0.000 0.901 803 Q HN 0.969 nan 8.270 nan 0.000 0.429 804 E N -0.209 119.955 120.200 -0.060 0.000 2.049 804 E HA -0.238 4.113 4.350 0.002 0.000 0.198 804 E C 1.887 178.439 176.600 -0.080 0.000 1.007 804 E CA 1.610 57.972 56.400 -0.063 0.000 0.809 804 E CB -0.323 29.343 29.700 -0.057 0.000 0.749 804 E HN 0.525 nan 8.360 nan 0.000 0.450 805 I N 0.453 120.969 120.570 -0.090 0.000 2.439 805 I HA -0.236 3.935 4.170 0.002 0.000 0.251 805 I C 2.359 178.386 176.117 -0.149 0.000 1.139 805 I CA 1.158 62.387 61.300 -0.117 0.000 1.438 805 I CB -0.197 37.735 38.000 -0.112 0.000 1.085 805 I HN 0.334 nan 8.210 nan 0.000 0.427 806 Q N 0.181 119.906 119.800 -0.125 0.000 2.124 806 Q HA -0.226 4.115 4.340 0.002 0.000 0.202 806 Q C 1.662 177.582 176.000 -0.133 0.000 0.977 806 Q CA 1.469 57.192 55.803 -0.134 0.000 0.850 806 Q CB -0.024 28.663 28.738 -0.085 0.000 0.901 806 Q HN 0.460 nan 8.270 nan 0.000 0.429 807 D N -0.040 120.299 120.400 -0.101 0.000 2.144 807 D HA -0.126 4.515 4.640 0.002 0.000 0.199 807 D C 1.932 178.174 176.300 -0.096 0.000 0.984 807 D CA 0.840 54.791 54.000 -0.080 0.000 0.834 807 D CB -0.006 40.759 40.800 -0.058 0.000 0.955 807 D HN 0.060 nan 8.370 nan 0.000 0.465 808 V N 0.995 120.833 119.914 -0.126 0.000 2.295 808 V HA -0.249 3.872 4.120 0.002 0.000 0.246 808 V C 2.563 178.535 176.094 -0.202 0.000 1.049 808 V CA 1.384 63.600 62.300 -0.139 0.000 1.024 808 V CB -0.366 31.365 31.823 -0.153 0.000 0.648 808 V HN 0.194 nan 8.190 nan 0.000 0.447 809 M N -0.899 118.491 119.600 -0.350 0.000 2.117 809 M HA -0.199 4.282 4.480 0.002 0.000 0.262 809 M C 2.423 178.593 176.300 -0.216 0.000 1.065 809 M CA 1.850 56.785 55.300 -0.607 0.000 1.114 809 M CB -0.468 31.572 32.600 -0.934 0.000 1.361 809 M HN 0.203 nan 8.290 nan 0.000 0.408 810 R N 0.048 120.476 120.500 -0.120 0.000 2.091 810 R HA -0.220 4.121 4.340 0.002 0.000 0.238 810 R C 2.266 178.573 176.300 0.011 0.000 1.136 810 R CA 1.899 57.983 56.100 -0.025 0.000 0.959 810 R CB -0.520 29.765 30.300 -0.024 0.000 0.856 810 R HN 0.538 nan 8.270 nan 0.000 0.437 811 Q N 0.968 120.765 119.800 -0.006 0.000 2.119 811 Q HA -0.206 4.135 4.340 0.002 0.000 0.201 811 Q C 1.901 177.938 176.000 0.062 0.000 0.972 811 Q CA 1.440 57.258 55.803 0.027 0.000 0.847 811 Q CB 0.041 28.782 28.738 0.006 0.000 0.903 811 Q HN 0.418 nan 8.270 nan 0.000 0.433 812 Q N -0.220 119.619 119.800 0.066 0.000 2.170 812 Q HA -0.108 4.233 4.340 0.002 0.000 0.203 812 Q C 2.140 178.266 176.000 0.211 0.000 0.976 812 Q CA 1.521 57.418 55.803 0.156 0.000 0.858 812 Q CB 0.194 29.074 28.738 0.238 0.000 0.907 812 Q HN 0.286 nan 8.270 nan 0.000 0.433 813 V N 0.637 120.680 119.914 0.215 0.000 2.548 813 V HA -0.245 3.876 4.120 0.002 0.000 0.249 813 V C 2.203 178.321 176.094 0.040 0.000 1.055 813 V CA 1.772 64.168 62.300 0.160 0.000 1.065 813 V CB -0.351 31.572 31.823 0.167 0.000 0.681 813 V HN 0.398 nan 8.190 nan 0.000 0.462 814 Q N 0.100 119.922 119.800 0.036 0.000 2.083 814 Q HA -0.229 4.112 4.340 0.002 0.000 0.198 814 Q C 2.264 178.303 176.000 0.065 0.000 0.969 814 Q CA 1.603 57.387 55.803 -0.031 0.000 0.838 814 Q CB -0.019 28.761 28.738 0.070 0.000 0.900 814 Q HN 0.533 nan 8.270 nan 0.000 0.436 815 K N 0.170 120.658 120.400 0.148 0.000 2.074 815 K HA -0.150 4.171 4.320 0.002 0.000 0.209 815 K C 2.013 178.701 176.600 0.148 0.000 1.048 815 K CA 1.533 57.928 56.287 0.180 0.000 0.926 815 K CB -0.081 32.492 32.500 0.122 0.000 0.713 815 K HN 0.223 nan 8.250 nan 0.000 0.444 816 L N -0.290 120.991 121.223 0.097 0.000 2.109 816 L HA -0.097 4.244 4.340 0.002 0.000 0.207 816 L C 2.419 179.312 176.870 0.038 0.000 1.086 816 L CA 0.906 55.796 54.840 0.082 0.000 0.760 816 L CB -0.430 41.684 42.059 0.091 0.000 0.910 816 L HN 0.203 nan 8.230 nan 0.000 0.437 817 A N 0.108 122.889 122.820 -0.065 0.000 1.883 817 A HA -0.224 4.097 4.320 0.002 0.000 0.217 817 A C 2.023 179.530 177.584 -0.128 0.000 1.186 817 A CA 1.699 53.630 52.037 -0.177 0.000 0.624 817 A CB -0.774 17.987 19.000 -0.399 0.000 0.822 817 A HN 0.277 nan 8.150 nan 0.000 0.444 818 F N -0.204 119.772 119.950 0.043 0.000 2.084 818 F HA -0.061 4.467 4.527 0.002 0.000 0.296 818 F C 2.360 178.180 175.800 0.033 0.000 1.111 818 F CA 1.511 59.532 58.000 0.034 0.000 1.224 818 F CB -0.920 38.097 39.000 0.029 0.000 0.991 818 F HN 0.313 nan 8.300 nan 0.000 0.471 819 E N 1.000 121.341 120.200 0.236 0.000 2.033 819 E HA -0.212 4.139 4.350 0.002 0.000 0.199 819 E C 1.870 178.535 176.600 0.110 0.000 1.011 819 E CA 1.674 58.159 56.400 0.142 0.000 0.815 819 E CB -0.687 29.077 29.700 0.107 0.000 0.755 819 E HN 0.423 nan 8.360 nan 0.000 0.451 820 L N 0.392 121.674 121.223 0.098 0.000 2.622 820 L HA 0.026 4.367 4.340 0.002 0.000 0.233 820 L C 0.254 177.167 176.870 0.071 0.000 1.156 820 L CA 0.264 55.153 54.840 0.082 0.000 0.866 820 L CB -0.312 41.796 42.059 0.083 0.000 0.980 820 L HN 0.172 nan 8.230 nan 0.000 0.448 821 Q N -0.697 119.156 119.800 0.088 0.000 2.470 821 Q HA -0.146 4.195 4.340 0.002 0.000 0.294 821 Q C -0.309 175.723 176.000 0.054 0.000 1.356 821 Q CA 0.318 56.170 55.803 0.082 0.000 0.805 821 Q CB -2.213 26.565 28.738 0.066 0.000 1.157 821 Q HN 0.246 nan 8.270 nan 0.000 0.431 822 V N 1.618 121.551 119.914 0.032 0.000 2.637 822 V HA 0.149 4.270 4.120 0.002 0.000 0.296 822 V C 1.034 177.138 176.094 0.016 0.000 1.046 822 V CA 0.434 62.741 62.300 0.013 0.000 1.066 822 V CB 1.044 32.858 31.823 -0.015 0.000 0.968 822 V HN 0.178 nan 8.190 nan 0.000 0.483 823 R N 3.979 124.492 120.500 0.022 0.000 2.513 823 R HA 0.580 4.920 4.340 0.002 0.000 0.283 823 R C 0.329 176.646 176.300 0.028 0.000 1.535 823 R CA 0.399 56.514 56.100 0.024 0.000 1.315 823 R CB 1.080 31.394 30.300 0.023 0.000 1.163 823 R HN 1.077 nan 8.270 nan 0.000 0.573 824 G N 1.226 110.049 108.800 0.039 0.000 2.348 824 G HA2 -0.160 3.801 3.960 0.002 0.000 0.199 824 G HA3 -0.160 3.801 3.960 0.002 0.000 0.199 824 G C -0.998 173.953 174.900 0.086 0.000 1.235 824 G CA -0.942 44.203 45.100 0.075 0.000 1.264 824 G HN 0.263 nan 8.290 nan 0.000 0.543 825 L N 1.826 123.136 121.223 0.144 0.000 2.418 825 L HA 0.772 5.113 4.340 0.002 0.000 0.265 825 L C 0.963 177.876 176.870 0.071 0.000 1.143 825 L CA -0.075 54.827 54.840 0.103 0.000 0.809 825 L CB 1.226 43.348 42.059 0.105 0.000 1.124 825 L HN 0.934 nan 8.230 nan 0.000 0.456 826 M N 1.365 120.990 119.600 0.042 0.000 2.721 826 M HA 0.511 4.992 4.480 0.002 0.000 0.271 826 M C -1.829 174.486 176.300 0.023 0.000 1.259 826 M CA -0.821 54.495 55.300 0.027 0.000 0.835 826 M CB 2.546 35.149 32.600 0.006 0.000 1.689 826 M HN 0.547 nan 8.290 nan 0.000 0.470 827 N N 0.974 119.680 118.700 0.011 0.000 2.324 827 N HA 0.640 5.381 4.740 0.002 0.000 0.285 827 N C -2.467 173.024 175.510 -0.031 0.000 1.076 827 N CA -0.280 52.777 53.050 0.012 0.000 0.864 827 N CB 3.011 41.514 38.487 0.026 0.000 1.632 827 N HN 0.670 nan 8.380 nan 0.000 0.478 828 V N 2.105 121.995 119.914 -0.040 0.000 2.709 828 V HA 0.465 4.586 4.120 0.002 0.000 0.308 828 V C -0.637 175.326 176.094 -0.218 0.000 1.062 828 V CA -0.765 61.424 62.300 -0.186 0.000 0.901 828 V CB 1.889 33.554 31.823 -0.264 0.000 1.003 828 V HN 0.608 nan 8.190 nan 0.000 0.425 829 Q N 3.346 122.945 119.800 -0.335 0.000 2.331 829 Q HA 0.712 5.053 4.340 0.002 0.000 0.267 829 Q C -1.691 174.088 176.000 -0.367 0.000 1.006 829 Q CA -0.341 55.328 55.803 -0.222 0.000 0.818 829 Q CB 2.575 31.242 28.738 -0.117 0.000 1.276 829 Q HN 0.626 nan 8.270 nan 0.000 0.450 830 F N 0.429 120.371 119.950 -0.013 0.000 2.631 830 F HA 0.790 5.318 4.527 0.002 0.000 0.328 830 F C -0.239 175.547 175.800 -0.023 0.000 1.067 830 F CA -1.059 56.947 58.000 0.009 0.000 0.969 830 F CB 1.817 40.820 39.000 0.005 0.000 1.332 830 F HN 0.548 nan 8.300 nan 0.000 0.490 831 A N 0.801 123.778 122.820 0.261 0.000 2.374 831 A HA 0.773 5.094 4.320 0.002 0.000 0.305 831 A C -1.771 175.919 177.584 0.176 0.000 1.053 831 A CA -0.675 51.432 52.037 0.115 0.000 0.726 831 A CB 1.269 20.268 19.000 -0.001 0.000 1.229 831 A HN 0.490 nan 8.150 nan 0.000 0.431 832 V N 2.825 122.785 119.914 0.076 0.000 2.334 832 V HA 0.467 4.588 4.120 0.002 0.000 0.281 832 V C 0.047 176.173 176.094 0.053 0.000 1.016 832 V CA -0.443 61.904 62.300 0.078 0.000 0.832 832 V CB 1.015 32.834 31.823 -0.006 0.000 0.999 832 V HN 0.816 nan 8.190 nan 0.000 0.439 833 K N 3.741 124.229 120.400 0.148 0.000 2.463 833 K HA 0.421 4.742 4.320 0.002 0.000 0.255 833 K C -0.009 176.669 176.600 0.129 0.000 0.942 833 K CA -0.642 55.694 56.287 0.081 0.000 0.814 833 K CB 0.979 33.462 32.500 -0.029 0.000 1.122 833 K HN 0.819 nan 8.250 nan 0.000 0.425 834 N N 3.475 122.204 118.700 0.047 0.000 2.714 834 N HA -0.275 4.466 4.740 0.002 0.000 0.253 834 N C -0.522 175.001 175.510 0.022 0.000 1.024 834 N CA 0.794 53.864 53.050 0.033 0.000 0.726 834 N CB -1.103 37.413 38.487 0.047 0.000 0.908 834 N HN 0.947 nan 8.380 nan 0.000 0.542 835 N N -0.782 117.918 118.700 -0.001 0.000 2.708 835 N HA -0.232 4.509 4.740 0.002 0.000 0.249 835 N C -1.391 174.099 175.510 -0.034 0.000 1.097 835 N CA 1.065 54.099 53.050 -0.027 0.000 0.710 835 N CB -0.173 38.293 38.487 -0.036 0.000 1.032 835 N HN 0.536 nan 8.380 nan 0.000 0.551 836 E N 0.383 120.582 120.200 -0.002 0.000 2.224 836 E HA 0.270 4.621 4.350 0.002 0.000 0.265 836 E C -0.531 176.027 176.600 -0.069 0.000 0.878 836 E CA -0.690 55.663 56.400 -0.079 0.000 0.759 836 E CB 2.457 32.091 29.700 -0.109 0.000 1.164 836 E HN -0.028 nan 8.360 nan 0.000 0.414 837 V N 4.077 123.895 119.914 -0.160 0.000 2.432 837 V HA 0.178 4.299 4.120 0.002 0.000 0.271 837 V C -0.730 175.315 176.094 -0.081 0.000 1.046 837 V CA -0.129 62.128 62.300 -0.072 0.000 0.945 837 V CB -0.361 31.375 31.823 -0.145 0.000 0.992 837 V HN 0.527 nan 8.190 nan 0.000 0.471 838 Y N 4.125 124.502 120.300 0.129 0.000 2.377 838 Y HA 0.552 5.104 4.550 0.002 0.000 0.339 838 Y C -0.078 175.949 175.900 0.212 0.000 1.011 838 Y CA -0.941 57.237 58.100 0.130 0.000 1.093 838 Y CB 1.852 40.347 38.460 0.058 0.000 1.201 838 Y HN 0.460 nan 8.280 nan 0.000 0.455 839 L N 4.349 125.746 121.223 0.290 0.000 2.281 839 L HA 0.333 4.674 4.340 0.002 0.000 0.285 839 L C 0.115 177.058 176.870 0.120 0.000 1.074 839 L CA 0.653 55.577 54.840 0.139 0.000 0.817 839 L CB 0.257 42.397 42.059 0.136 0.000 1.168 839 L HN 0.800 nan 8.230 nan 0.000 0.434 840 I N 2.679 123.246 120.570 -0.005 0.000 2.729 840 I HA 0.135 4.306 4.170 0.002 0.000 0.256 840 I C 0.194 176.280 176.117 -0.051 0.000 1.115 840 I CA 0.286 61.586 61.300 0.001 0.000 1.446 840 I CB 0.423 38.397 38.000 -0.043 0.000 1.176 840 I HN 0.780 nan 8.210 nan 0.000 0.446 841 E N -0.633 119.469 120.200 -0.164 0.000 2.392 841 E HA 0.382 4.733 4.350 0.002 0.000 0.281 841 E C -1.729 174.651 176.600 -0.366 0.000 1.088 841 E CA -0.729 55.466 56.400 -0.343 0.000 0.850 841 E CB 1.893 31.420 29.700 -0.288 0.000 1.267 841 E HN -0.221 nan 8.360 nan 0.000 0.438 842 V N 2.193 121.784 119.914 -0.539 0.000 2.540 842 V HA 0.495 4.616 4.120 0.002 0.000 0.302 842 V C -0.950 175.002 176.094 -0.237 0.000 1.035 842 V CA -0.937 61.180 62.300 -0.305 0.000 0.873 842 V CB 1.788 33.513 31.823 -0.163 0.000 0.992 842 V HN 0.655 nan 8.190 nan 0.000 0.428 843 N N 5.660 124.286 118.700 -0.123 0.000 2.696 843 N HA 0.316 5.057 4.740 0.002 0.000 0.246 843 N C -2.660 172.838 175.510 -0.020 0.000 1.057 843 N CA -1.345 51.666 53.050 -0.066 0.000 0.867 843 N CB 2.030 40.501 38.487 -0.027 0.000 1.141 843 N HN 0.361 nan 8.380 nan 0.000 0.517 844 P HA 0.033 nan 4.420 nan 0.000 0.262 844 P C -0.544 176.781 177.300 0.041 0.000 1.647 844 P CA 0.291 63.398 63.100 0.011 0.000 0.865 844 P CB -0.115 31.590 31.700 0.008 0.000 1.834 845 R N -1.571 118.967 120.500 0.062 0.000 2.907 845 R HA 0.722 5.063 4.340 0.002 0.000 0.266 845 R C -1.061 175.318 176.300 0.131 0.000 1.031 845 R CA -1.177 54.993 56.100 0.118 0.000 0.904 845 R CB -0.354 30.012 30.300 0.111 0.000 1.358 845 R HN -0.143 nan 8.270 nan 0.000 0.438 846 A N 0.454 123.378 122.820 0.174 0.000 2.454 846 A HA 0.654 4.975 4.320 0.002 0.000 0.260 846 A C 0.070 177.765 177.584 0.184 0.000 1.106 846 A CA 0.240 52.318 52.037 0.069 0.000 0.780 846 A CB -0.288 18.610 19.000 -0.170 0.000 1.044 846 A HN 0.799 nan 8.150 nan 0.000 0.498 847 A N 2.323 125.196 122.820 0.088 0.000 2.269 847 A HA 0.577 4.898 4.320 0.002 0.000 0.319 847 A C 1.292 178.777 177.584 -0.164 0.000 1.110 847 A CA -0.325 51.772 52.037 0.100 0.000 0.847 847 A CB 0.382 19.423 19.000 0.067 0.000 1.161 847 A HN 1.022 nan 8.150 nan 0.000 0.497 848 R N -0.421 119.900 120.500 -0.299 0.000 2.285 848 R HA -0.091 4.250 4.340 0.002 0.000 0.213 848 R C 0.885 177.011 176.300 -0.291 0.000 1.068 848 R CA 1.834 57.595 56.100 -0.565 0.000 1.004 848 R CB -0.952 29.048 30.300 -0.500 0.000 0.873 848 R HN 0.661 nan 8.270 nan 0.000 0.467 849 T N -2.064 112.410 114.554 -0.132 0.000 3.088 849 T HA 0.110 4.461 4.350 0.002 0.000 0.259 849 T C 1.861 176.562 174.700 0.002 0.000 1.122 849 T CA 0.316 62.402 62.100 -0.022 0.000 1.095 849 T CB 0.046 68.952 68.868 0.063 0.000 0.930 849 T HN 0.022 nan 8.240 nan 0.000 0.508 850 V N 2.939 122.800 119.914 -0.089 0.000 2.282 850 V HA -0.113 4.008 4.120 0.002 0.000 0.249 850 V C -0.135 175.894 176.094 -0.109 0.000 1.057 850 V CA 1.940 64.191 62.300 -0.082 0.000 1.032 850 V CB -1.398 30.357 31.823 -0.114 0.000 0.645 850 V HN 0.410 nan 8.190 nan 0.000 0.447 851 P HA -0.178 nan 4.420 nan 0.000 0.217 851 P C 1.732 178.898 177.300 -0.223 0.000 1.150 851 P CA 1.511 64.310 63.100 -0.501 0.000 0.832 851 P CB -0.160 30.915 31.700 -1.042 0.000 0.787 852 F N 0.612 120.425 119.950 -0.228 0.000 2.102 852 F HA -0.187 4.341 4.527 0.002 0.000 0.298 852 F C 1.901 177.677 175.800 -0.039 0.000 1.105 852 F CA 1.327 59.258 58.000 -0.115 0.000 1.239 852 F CB -0.737 38.212 39.000 -0.086 0.000 0.991 852 F HN -0.329 nan 8.300 nan 0.000 0.474 853 V N -0.017 119.840 119.914 -0.095 0.000 2.407 853 V HA -0.290 3.831 4.120 0.002 0.000 0.248 853 V C 2.404 178.412 176.094 -0.143 0.000 1.055 853 V CA 2.042 64.237 62.300 -0.174 0.000 1.049 853 V CB -0.964 30.851 31.823 -0.013 0.000 0.662 853 V HN 0.399 nan 8.190 nan 0.000 0.455 854 S N -0.561 115.097 115.700 -0.070 0.000 2.368 854 S HA -0.183 4.288 4.470 0.002 0.000 0.224 854 S C 2.063 176.665 174.600 0.004 0.000 1.029 854 S CA 1.272 59.470 58.200 -0.004 0.000 0.988 854 S CB -0.264 63.001 63.200 0.107 0.000 0.838 854 S HN 0.393 nan 8.310 nan 0.000 0.462 855 K N 2.072 122.470 120.400 -0.003 0.000 2.025 855 K HA 0.203 4.524 4.320 0.002 0.000 0.207 855 K C 2.216 178.891 176.600 0.125 0.000 1.049 855 K CA 1.281 57.621 56.287 0.089 0.000 0.933 855 K CB -1.027 31.466 32.500 -0.011 0.000 0.714 855 K HN 0.283 nan 8.250 nan 0.000 0.438 856 A N 0.108 122.851 122.820 -0.128 0.000 1.877 856 A HA -0.173 4.148 4.320 0.002 0.000 0.216 856 A C 2.186 179.795 177.584 0.042 0.000 1.186 856 A CA 2.642 54.626 52.037 -0.089 0.000 0.620 856 A CB -1.068 17.669 19.000 -0.440 0.000 0.822 856 A HN 0.505 nan 8.150 nan 0.000 0.443 857 T N -5.111 109.395 114.554 -0.080 0.000 3.065 857 T HA 0.403 4.754 4.350 0.002 0.000 0.252 857 T C 1.473 176.031 174.700 -0.236 0.000 1.099 857 T CA 1.094 63.121 62.100 -0.122 0.000 1.063 857 T CB 0.196 68.992 68.868 -0.120 0.000 0.948 857 T HN 1.764 nan 8.240 nan 0.000 0.506 858 G N 0.808 109.354 108.800 -0.423 0.000 2.184 858 G HA2 -0.236 3.725 3.960 0.002 0.000 0.264 858 G HA3 -0.236 3.725 3.960 0.002 0.000 0.264 858 G C 0.066 174.755 174.900 -0.353 0.000 0.975 858 G CA 0.123 44.673 45.100 -0.918 0.000 0.642 858 G HN 0.761 nan 8.290 nan 0.000 0.536 859 V N 2.485 122.291 119.914 -0.180 0.000 2.350 859 V HA 0.441 4.562 4.120 0.002 0.000 0.276 859 V C -1.577 174.510 176.094 -0.012 0.000 1.028 859 V CA -1.376 60.873 62.300 -0.085 0.000 0.860 859 V CB 1.651 33.437 31.823 -0.061 0.000 0.990 859 V HN 0.157 nan 8.190 nan 0.000 0.453 860 P HA 0.182 nan 4.420 nan 0.000 0.241 860 P C 0.999 178.358 177.300 0.100 0.000 1.760 860 P CA -0.061 63.094 63.100 0.093 0.000 1.081 860 P CB 0.256 31.948 31.700 -0.014 0.000 1.975 861 L N 1.277 122.557 121.223 0.096 0.000 2.081 861 L HA -0.256 4.085 4.340 0.002 0.000 0.212 861 L C 2.531 179.457 176.870 0.094 0.000 1.080 861 L CA 2.027 56.910 54.840 0.071 0.000 0.754 861 L CB -1.139 40.942 42.059 0.037 0.000 0.893 861 L HN 0.175 nan 8.230 nan 0.000 0.433 862 A N 0.029 122.924 122.820 0.126 0.000 1.972 862 A HA -0.188 4.133 4.320 0.002 0.000 0.219 862 A C 2.348 180.083 177.584 0.251 0.000 1.169 862 A CA 1.583 53.679 52.037 0.097 0.000 0.635 862 A CB -0.285 18.726 19.000 0.017 0.000 0.810 862 A HN 0.386 nan 8.150 nan 0.000 0.446 863 K N -0.405 120.098 120.400 0.173 0.000 2.062 863 K HA -0.012 4.309 4.320 0.002 0.000 0.205 863 K C 1.858 178.510 176.600 0.087 0.000 1.051 863 K CA 1.263 57.605 56.287 0.091 0.000 0.941 863 K CB -0.325 32.154 32.500 -0.034 0.000 0.719 863 K HN 0.315 nan 8.250 nan 0.000 0.440 864 V N 1.737 121.698 119.914 0.079 0.000 2.261 864 V HA -0.241 3.880 4.120 0.002 0.000 0.246 864 V C 2.433 178.580 176.094 0.089 0.000 1.047 864 V CA 2.099 64.438 62.300 0.065 0.000 1.015 864 V CB -0.820 31.031 31.823 0.048 0.000 0.642 864 V HN 0.336 nan 8.190 nan 0.000 0.446 865 A N 0.013 122.916 122.820 0.139 0.000 1.972 865 A HA -0.094 4.226 4.320 0.002 0.000 0.219 865 A C 2.400 180.078 177.584 0.156 0.000 1.169 865 A CA 2.049 54.190 52.037 0.174 0.000 0.635 865 A CB -0.701 18.443 19.000 0.241 0.000 0.810 865 A HN 0.584 nan 8.150 nan 0.000 0.446 866 A N 0.038 122.966 122.820 0.180 0.000 1.877 866 A HA -0.153 4.168 4.320 0.002 0.000 0.216 866 A C 2.239 179.801 177.584 -0.036 0.000 1.186 866 A CA 1.510 53.559 52.037 0.020 0.000 0.620 866 A CB -0.435 18.605 19.000 0.066 0.000 0.822 866 A HN 0.559 nan 8.150 nan 0.000 0.443 867 R N -0.810 119.697 120.500 0.012 0.000 2.092 867 R HA -0.042 4.299 4.340 0.002 0.000 0.231 867 R C 2.008 178.314 176.300 0.010 0.000 1.119 867 R CA 1.260 57.366 56.100 0.010 0.000 0.970 867 R CB -0.572 29.752 30.300 0.041 0.000 0.864 867 R HN 0.361 nan 8.270 nan 0.000 0.440 868 V N 1.369 121.296 119.914 0.022 0.000 2.295 868 V HA -0.279 3.842 4.120 0.002 0.000 0.246 868 V C 2.335 178.428 176.094 -0.002 0.000 1.049 868 V CA 1.823 64.136 62.300 0.022 0.000 1.024 868 V CB -0.334 31.510 31.823 0.035 0.000 0.648 868 V HN 0.331 nan 8.190 nan 0.000 0.447 869 M N -0.327 119.257 119.600 -0.027 0.000 2.144 869 M HA -0.195 4.286 4.480 0.002 0.000 0.260 869 M C 2.060 178.310 176.300 -0.084 0.000 1.067 869 M CA 2.145 57.407 55.300 -0.064 0.000 1.095 869 M CB -0.478 32.049 32.600 -0.122 0.000 1.365 869 M HN 0.407 nan 8.290 nan 0.000 0.406 870 A N -0.964 121.789 122.820 -0.111 0.000 2.238 870 A HA 0.329 4.650 4.320 0.002 0.000 0.208 870 A C 1.685 179.259 177.584 -0.016 0.000 1.177 870 A CA 1.086 53.035 52.037 -0.147 0.000 0.804 870 A CB -0.421 18.372 19.000 -0.346 0.000 0.823 870 A HN 0.655 nan 8.150 nan 0.000 0.482 871 G N -1.210 107.597 108.800 0.013 0.000 2.480 871 G HA2 -0.157 3.804 3.960 0.002 0.000 0.193 871 G HA3 -0.157 3.804 3.960 0.002 0.000 0.193 871 G C 0.267 175.199 174.900 0.052 0.000 1.004 871 G CA 0.059 45.187 45.100 0.046 0.000 0.696 871 G HN 0.438 nan 8.290 nan 0.000 0.478 872 K N 2.361 122.795 120.400 0.056 0.000 2.285 872 K HA 0.535 4.856 4.320 0.002 0.000 0.286 872 K C 1.125 177.750 176.600 0.042 0.000 1.072 872 K CA 0.359 56.678 56.287 0.053 0.000 0.913 872 K CB 0.710 33.248 32.500 0.064 0.000 1.067 872 K HN 0.441 nan 8.250 nan 0.000 0.479 873 S N 3.429 119.153 115.700 0.039 0.000 2.580 873 S HA 0.033 4.504 4.470 0.002 0.000 0.266 873 S C 1.435 176.057 174.600 0.036 0.000 1.354 873 S CA -0.424 57.800 58.200 0.039 0.000 1.008 873 S CB 0.530 63.754 63.200 0.040 0.000 0.898 873 S HN 0.655 nan 8.310 nan 0.000 0.555 874 L N 1.523 122.768 121.223 0.037 0.000 2.046 874 L HA -0.059 4.282 4.340 0.002 0.000 0.208 874 L C 3.101 179.988 176.870 0.028 0.000 1.077 874 L CA 1.568 56.427 54.840 0.032 0.000 0.747 874 L CB -1.206 40.873 42.059 0.033 0.000 0.896 874 L HN 0.948 nan 8.230 nan 0.000 0.432 875 A N 0.072 122.910 122.820 0.031 0.000 1.865 875 A HA -0.276 4.045 4.320 0.002 0.000 0.217 875 A C 2.153 179.750 177.584 0.022 0.000 1.191 875 A CA 2.003 54.055 52.037 0.026 0.000 0.623 875 A CB -0.608 18.408 19.000 0.028 0.000 0.826 875 A HN 0.424 nan 8.150 nan 0.000 0.444 876 E N -0.478 119.737 120.200 0.024 0.000 2.160 876 E HA -0.234 4.117 4.350 0.002 0.000 0.195 876 E C 2.146 178.759 176.600 0.021 0.000 0.991 876 E CA 1.572 57.986 56.400 0.023 0.000 0.810 876 E CB -0.112 29.605 29.700 0.028 0.000 0.742 876 E HN 0.824 nan 8.360 nan 0.000 0.466 877 Q N -1.349 118.464 119.800 0.022 0.000 2.402 877 Q HA 0.144 4.485 4.340 0.002 0.000 0.206 877 Q C 0.966 176.973 176.000 0.012 0.000 0.919 877 Q CA 0.462 56.277 55.803 0.019 0.000 0.923 877 Q CB 0.925 29.677 28.738 0.022 0.000 1.048 877 Q HN 0.272 nan 8.270 nan 0.000 0.515 878 G N 1.051 109.858 108.800 0.012 0.000 2.212 878 G HA2 -0.203 3.758 3.960 0.002 0.000 0.255 878 G HA3 -0.203 3.758 3.960 0.002 0.000 0.255 878 G C -0.270 174.632 174.900 0.003 0.000 1.062 878 G CA -0.009 45.095 45.100 0.007 0.000 0.815 878 G HN 0.191 nan 8.290 nan 0.000 0.497 879 V N 0.952 120.870 119.914 0.006 0.000 2.327 879 V HA 0.625 4.746 4.120 0.002 0.000 0.272 879 V C 0.864 176.962 176.094 0.007 0.000 1.019 879 V CA 0.410 62.711 62.300 0.002 0.000 0.814 879 V CB 0.972 32.797 31.823 0.003 0.000 1.040 879 V HN 0.785 nan 8.190 nan 0.000 0.440 880 T N -0.506 114.050 114.554 0.004 0.000 2.992 880 T HA 0.275 4.626 4.350 0.002 0.000 0.255 880 T C 0.431 175.135 174.700 0.005 0.000 0.938 880 T CA -0.279 61.827 62.100 0.010 0.000 0.895 880 T CB 0.449 69.325 68.868 0.013 0.000 1.221 880 T HN 0.415 nan 8.240 nan 0.000 0.512 881 K N 2.430 122.827 120.400 -0.004 0.000 2.182 881 K HA 0.445 4.766 4.320 0.002 0.000 0.262 881 K C -0.431 176.158 176.600 -0.018 0.000 0.957 881 K CA -0.513 55.769 56.287 -0.010 0.000 0.842 881 K CB 2.479 34.971 32.500 -0.012 0.000 1.099 881 K HN 0.398 nan 8.250 nan 0.000 0.438 882 E N 2.534 122.722 120.200 -0.019 0.000 2.384 882 E HA 0.044 4.395 4.350 0.002 0.000 0.266 882 E C -0.891 175.683 176.600 -0.043 0.000 1.012 882 E CA -0.400 55.984 56.400 -0.027 0.000 0.901 882 E CB 0.816 30.503 29.700 -0.023 0.000 0.967 882 E HN 0.195 nan 8.360 nan 0.000 0.435 883 V N 6.329 126.210 119.914 -0.055 0.000 2.407 883 V HA 0.221 4.342 4.120 0.002 0.000 0.278 883 V C 0.066 176.101 176.094 -0.098 0.000 1.037 883 V CA -0.583 61.670 62.300 -0.077 0.000 0.900 883 V CB 1.191 32.961 31.823 -0.088 0.000 0.983 883 V HN 0.585 nan 8.190 nan 0.000 0.459 884 I N 6.923 127.424 120.570 -0.116 0.000 2.420 884 I HA 0.399 4.570 4.170 0.002 0.000 0.282 884 I C -2.267 173.720 176.117 -0.217 0.000 1.019 884 I CA -2.232 58.978 61.300 -0.149 0.000 1.130 884 I CB 1.350 39.277 38.000 -0.121 0.000 1.262 884 I HN 0.440 nan 8.210 nan 0.000 0.454 885 P HA 0.290 nan 4.420 nan 0.000 0.272 885 P C -1.980 174.984 177.300 -0.559 0.000 1.230 885 P CA -1.146 61.633 63.100 -0.534 0.000 0.788 885 P CB 0.058 31.227 31.700 -0.884 0.000 0.949 886 P HA -0.021 nan 4.420 nan 0.000 0.233 886 P C -0.260 176.901 177.300 -0.231 0.000 1.167 886 P CA 1.113 64.042 63.100 -0.285 0.000 0.770 886 P CB -0.192 31.457 31.700 -0.086 0.000 0.837 887 Y N -3.319 116.946 120.300 -0.059 0.000 2.630 887 Y HA 0.643 5.194 4.550 0.002 0.000 0.337 887 Y C -0.218 175.653 175.900 -0.049 0.000 1.051 887 Y CA -2.188 55.905 58.100 -0.011 0.000 1.121 887 Y CB 0.138 38.620 38.460 0.036 0.000 1.299 887 Y HN -0.336 nan 8.280 nan 0.000 0.498 888 Y N 0.478 120.951 120.300 0.288 0.000 2.310 888 Y HA 0.521 5.072 4.550 0.002 0.000 0.326 888 Y C -0.027 176.059 175.900 0.309 0.000 1.151 888 Y CA -0.060 58.191 58.100 0.252 0.000 1.195 888 Y CB 1.829 40.436 38.460 0.244 0.000 1.210 888 Y HN 0.609 nan 8.280 nan 0.000 0.483 889 S N 2.323 118.291 115.700 0.448 0.000 2.552 889 S HA 0.606 5.077 4.470 0.002 0.000 0.314 889 S C -1.074 173.843 174.600 0.529 0.000 1.099 889 S CA -0.697 57.728 58.200 0.375 0.000 1.070 889 S CB 1.043 64.326 63.200 0.137 0.000 0.998 889 S HN 0.338 nan 8.310 nan 0.000 0.474 890 V N 4.413 124.566 119.914 0.398 0.000 2.555 890 V HA 0.538 4.659 4.120 0.002 0.000 0.302 890 V C -0.097 176.063 176.094 0.110 0.000 1.038 890 V CA -0.802 61.672 62.300 0.291 0.000 0.887 890 V CB 1.925 33.805 31.823 0.095 0.000 0.991 890 V HN 0.715 nan 8.190 nan 0.000 0.434 891 K N 3.651 123.932 120.400 -0.199 0.000 2.244 891 K HA 0.641 4.962 4.320 0.002 0.000 0.260 891 K C -1.036 175.391 176.600 -0.289 0.000 0.951 891 K CA -0.390 55.630 56.287 -0.445 0.000 0.826 891 K CB 2.169 33.976 32.500 -1.154 0.000 1.108 891 K HN 0.723 nan 8.250 nan 0.000 0.433 892 E N 2.619 122.670 120.200 -0.247 0.000 2.277 892 E HA 0.367 4.718 4.350 0.002 0.000 0.266 892 E C -1.230 175.272 176.600 -0.163 0.000 0.901 892 E CA -0.873 55.401 56.400 -0.210 0.000 0.782 892 E CB 1.745 31.274 29.700 -0.285 0.000 1.228 892 E HN 0.418 nan 8.360 nan 0.000 0.424 893 V N 0.765 120.608 119.914 -0.119 0.000 3.193 893 V HA 0.868 4.989 4.120 0.002 0.000 0.320 893 V C -0.321 175.730 176.094 -0.072 0.000 1.112 893 V CA -0.525 61.718 62.300 -0.095 0.000 1.026 893 V CB 1.542 33.318 31.823 -0.078 0.000 1.128 893 V HN 0.629 nan 8.190 nan 0.000 0.452 894 V N 0.603 120.476 119.914 -0.068 0.000 2.540 894 V HA 0.762 4.883 4.120 0.002 0.000 0.302 894 V C -0.662 175.381 176.094 -0.086 0.000 1.035 894 V CA -0.603 61.661 62.300 -0.060 0.000 0.873 894 V CB 0.959 32.750 31.823 -0.053 0.000 0.992 894 V HN 0.872 nan 8.190 nan 0.000 0.428 895 L N 6.101 127.261 121.223 -0.106 0.000 2.325 895 L HA 0.648 4.989 4.340 0.002 0.000 0.278 895 L C -1.556 175.158 176.870 -0.260 0.000 1.023 895 L CA -1.443 53.242 54.840 -0.258 0.000 0.811 895 L CB 2.445 44.251 42.059 -0.422 0.000 1.249 895 L HN 0.478 nan 8.230 nan 0.000 0.431 896 P HA 0.052 nan 4.420 nan 0.000 0.257 896 P C 1.206 178.383 177.300 -0.205 0.000 1.281 896 P CA 0.140 63.087 63.100 -0.255 0.000 0.826 896 P CB 0.087 31.666 31.700 -0.202 0.000 1.237 897 F N 2.798 122.783 119.950 0.059 0.000 2.147 897 F HA -0.243 4.285 4.527 0.002 0.000 0.301 897 F C 2.183 177.974 175.800 -0.015 0.000 1.084 897 F CA 1.628 59.685 58.000 0.095 0.000 1.268 897 F CB -1.903 37.181 39.000 0.140 0.000 1.009 897 F HN 0.140 nan 8.300 nan 0.000 0.486 898 N N 0.533 119.290 118.700 0.094 0.000 2.443 898 N HA -0.187 4.554 4.740 0.002 0.000 0.184 898 N C 1.185 176.597 175.510 -0.164 0.000 1.037 898 N CA 1.081 54.121 53.050 -0.016 0.000 0.896 898 N CB -0.411 38.065 38.487 -0.019 0.000 0.959 898 N HN 0.212 nan 8.380 nan 0.000 0.442 899 K N -0.307 119.866 120.400 -0.378 0.000 2.361 899 K HA 0.115 4.436 4.320 0.002 0.000 0.196 899 K C -0.369 175.736 176.600 -0.824 0.000 1.039 899 K CA 0.207 56.071 56.287 -0.706 0.000 1.001 899 K CB 0.162 31.984 32.500 -1.131 0.000 0.795 899 K HN 0.241 nan 8.250 nan 0.000 0.495 900 F N 0.960 120.881 119.950 -0.048 0.000 2.809 900 F HA 0.290 4.818 4.527 0.002 0.000 0.369 900 F C -1.926 173.907 175.800 0.056 0.000 1.225 900 F CA -2.442 55.559 58.000 0.002 0.000 1.201 900 F CB 1.537 40.510 39.000 -0.045 0.000 1.527 900 F HN -0.186 nan 8.300 nan 0.000 0.565 901 P HA -0.054 nan 4.420 nan 0.000 0.222 901 P C 1.743 179.097 177.300 0.090 0.000 1.147 901 P CA 1.086 64.237 63.100 0.085 0.000 0.790 901 P CB 0.318 32.030 31.700 0.020 0.000 0.780 902 G N -0.195 108.681 108.800 0.127 0.000 2.484 902 G HA2 -0.038 3.923 3.960 0.002 0.000 0.218 902 G HA3 -0.038 3.923 3.960 0.002 0.000 0.218 902 G C 0.476 175.437 174.900 0.101 0.000 1.130 902 G CA 0.075 45.232 45.100 0.094 0.000 0.784 902 G HN 0.179 nan 8.290 nan 0.000 0.543 903 V N 1.513 121.529 119.914 0.170 0.000 2.614 903 V HA 0.133 4.254 4.120 0.002 0.000 0.291 903 V C -0.017 176.105 176.094 0.047 0.000 1.049 903 V CA -1.043 61.366 62.300 0.181 0.000 1.038 903 V CB 1.547 33.604 31.823 0.391 0.000 0.980 903 V HN 0.177 nan 8.190 nan 0.000 0.481 904 D N 6.995 127.380 120.400 -0.024 0.000 2.358 904 D HA 0.145 4.786 4.640 0.002 0.000 0.258 904 D C -1.994 174.080 176.300 -0.375 0.000 1.223 904 D CA -1.995 51.922 54.000 -0.140 0.000 0.886 904 D CB 1.550 42.298 40.800 -0.087 0.000 1.120 904 D HN 0.298 nan 8.370 nan 0.000 0.482 905 P HA 0.141 nan 4.420 nan 0.000 0.237 905 P C -0.390 176.461 177.300 -0.748 0.000 1.723 905 P CA -0.281 62.067 63.100 -1.254 0.000 0.882 905 P CB -0.432 30.945 31.700 -0.539 0.000 1.810 906 L N -0.781 120.167 121.223 -0.458 0.000 2.331 906 L HA 0.461 4.802 4.340 0.002 0.000 0.275 906 L C -0.597 176.307 176.870 0.057 0.000 1.022 906 L CA -0.972 53.807 54.840 -0.101 0.000 0.812 906 L CB 1.099 43.115 42.059 -0.071 0.000 1.257 906 L HN -0.188 nan 8.230 nan 0.000 0.435 907 L N 3.910 125.209 121.223 0.127 0.000 2.418 907 L HA 0.821 5.162 4.340 0.002 0.000 0.265 907 L C 0.732 177.676 176.870 0.124 0.000 1.143 907 L CA 0.159 55.101 54.840 0.170 0.000 0.809 907 L CB 0.860 43.015 42.059 0.161 0.000 1.124 907 L HN 0.928 nan 8.230 nan 0.000 0.456 908 G N 0.437 109.315 108.800 0.129 0.000 2.554 908 G HA2 0.371 4.332 3.960 0.002 0.000 0.306 908 G HA3 0.371 4.332 3.960 0.002 0.000 0.306 908 G C -2.664 172.303 174.900 0.112 0.000 1.320 908 G CA -0.404 44.750 45.100 0.089 0.000 0.800 908 G HN 0.321 nan 8.290 nan 0.000 0.481 909 P HA 0.040 nan 4.420 nan 0.000 0.234 909 P C 0.253 177.673 177.300 0.200 0.000 1.167 909 P CA 0.845 64.017 63.100 0.119 0.000 0.763 909 P CB 0.406 32.128 31.700 0.037 0.000 0.835 910 E N 0.167 120.425 120.200 0.097 0.000 2.166 910 E HA 0.319 4.670 4.350 0.002 0.000 0.275 910 E C -0.487 176.025 176.600 -0.146 0.000 0.941 910 E CA -1.028 55.362 56.400 -0.018 0.000 0.784 910 E CB 0.849 30.513 29.700 -0.060 0.000 1.115 910 E HN -0.104 nan 8.360 nan 0.000 0.399 911 M N 4.603 123.893 119.600 -0.517 0.000 2.219 911 M HA 0.156 4.637 4.480 0.002 0.000 0.353 911 M C -0.079 176.077 176.300 -0.240 0.000 1.304 911 M CA 0.385 55.409 55.300 -0.459 0.000 1.115 911 M CB 0.404 32.551 32.600 -0.756 0.000 1.664 911 M HN 0.543 nan 8.290 nan 0.000 0.459 912 R N 1.412 121.838 120.500 -0.123 0.000 2.521 912 R HA 0.174 4.515 4.340 0.002 0.000 0.289 912 R C 0.250 176.520 176.300 -0.050 0.000 0.936 912 R CA 0.205 56.262 56.100 -0.071 0.000 1.089 912 R CB 0.593 30.880 30.300 -0.022 0.000 1.348 912 R HN 0.845 nan 8.270 nan 0.000 0.536 913 S N -0.551 115.100 115.700 -0.082 0.000 2.584 913 S HA 0.044 4.515 4.470 0.002 0.000 0.270 913 S C 1.179 175.749 174.600 -0.050 0.000 1.346 913 S CA 0.306 58.455 58.200 -0.085 0.000 1.018 913 S CB 1.418 64.575 63.200 -0.071 0.000 0.899 913 S HN 0.303 nan 8.310 nan 0.000 0.542 914 T N -1.228 113.293 114.554 -0.055 0.000 2.999 914 T HA 0.513 4.864 4.350 0.002 0.000 0.247 914 T C 0.815 175.491 174.700 -0.040 0.000 1.012 914 T CA 0.254 62.332 62.100 -0.037 0.000 1.048 914 T CB -0.188 68.655 68.868 -0.041 0.000 1.020 914 T HN 1.102 nan 8.240 nan 0.000 0.478 915 G N 0.601 109.369 108.800 -0.053 0.000 2.827 915 G HA2 0.656 4.617 3.960 0.002 0.000 0.296 915 G HA3 0.656 4.617 3.960 0.002 0.000 0.296 915 G C -2.059 172.797 174.900 -0.074 0.000 1.362 915 G CA -0.938 44.129 45.100 -0.055 0.000 0.809 915 G HN 0.564 nan 8.290 nan 0.000 0.522 916 E N -2.095 118.058 120.200 -0.079 0.000 2.407 916 E HA 0.638 4.989 4.350 0.002 0.000 0.279 916 E C -1.084 175.465 176.600 -0.085 0.000 1.012 916 E CA -1.068 55.270 56.400 -0.103 0.000 0.800 916 E CB 2.155 31.768 29.700 -0.145 0.000 1.276 916 E HN 1.034 nan 8.360 nan 0.000 0.452 917 V N -1.691 118.164 119.914 -0.098 0.000 3.158 917 V HA 0.758 4.879 4.120 0.002 0.000 0.311 917 V C -0.593 175.468 176.094 -0.056 0.000 1.181 917 V CA -1.112 61.148 62.300 -0.066 0.000 1.054 917 V CB 1.968 33.749 31.823 -0.069 0.000 1.085 917 V HN 0.909 nan 8.190 nan 0.000 0.446 918 M N 1.532 121.134 119.600 0.004 0.000 2.395 918 M HA 0.808 5.289 4.480 0.002 0.000 0.307 918 M C -0.399 175.923 176.300 0.036 0.000 1.091 918 M CA -0.289 55.066 55.300 0.091 0.000 0.919 918 M CB 1.978 34.715 32.600 0.228 0.000 1.662 918 M HN 1.170 nan 8.290 nan 0.000 0.440 919 G N 3.185 112.011 108.800 0.043 0.000 2.470 919 G HA2 0.618 4.579 3.960 0.002 0.000 0.320 919 G HA3 0.618 4.579 3.960 0.002 0.000 0.320 919 G C -1.533 173.397 174.900 0.051 0.000 1.245 919 G CA -0.462 44.632 45.100 -0.011 0.000 0.935 919 G HN 0.584 nan 8.290 nan 0.000 0.476 920 V N 1.740 121.659 119.914 0.007 0.000 2.357 920 V HA 0.851 4.972 4.120 0.002 0.000 0.284 920 V C 0.650 176.756 176.094 0.020 0.000 1.018 920 V CA -0.255 62.047 62.300 0.002 0.000 0.841 920 V CB 0.945 32.676 31.823 -0.152 0.000 0.991 920 V HN 1.011 nan 8.190 nan 0.000 0.437 921 G N 3.459 112.334 108.800 0.125 0.000 2.672 921 G HA2 0.542 4.503 3.960 0.002 0.000 0.292 921 G HA3 0.542 4.503 3.960 0.002 0.000 0.292 921 G C 0.047 175.087 174.900 0.233 0.000 1.375 921 G CA -0.828 44.343 45.100 0.119 0.000 0.890 921 G HN 0.563 nan 8.290 nan 0.000 0.476 922 R N -0.886 119.721 120.500 0.179 0.000 2.148 922 R HA 0.102 4.443 4.340 0.002 0.000 0.223 922 R C 1.258 177.741 176.300 0.305 0.000 1.088 922 R CA 1.457 57.685 56.100 0.214 0.000 0.985 922 R CB -0.145 30.235 30.300 0.133 0.000 0.880 922 R HN 0.622 nan 8.270 nan 0.000 0.451 923 T N -3.858 110.841 114.554 0.241 0.000 2.888 923 T HA 0.236 4.587 4.350 0.002 0.000 0.288 923 T C 0.446 175.109 174.700 -0.062 0.000 1.063 923 T CA -0.931 61.279 62.100 0.182 0.000 1.010 923 T CB 1.284 70.198 68.868 0.077 0.000 1.214 923 T HN 0.050 nan 8.240 nan 0.000 0.533 924 F N 1.203 120.774 119.950 -0.632 0.000 2.186 924 F HA 0.180 4.708 4.527 0.002 0.000 0.299 924 F C 2.490 178.137 175.800 -0.255 0.000 1.090 924 F CA 1.474 59.028 58.000 -0.744 0.000 1.307 924 F CB -0.707 37.768 39.000 -0.876 0.000 1.019 924 F HN 0.713 nan 8.300 nan 0.000 0.489 925 A N 0.174 122.815 122.820 -0.298 0.000 1.933 925 A HA -0.244 4.077 4.320 0.002 0.000 0.218 925 A C 2.236 179.688 177.584 -0.220 0.000 1.175 925 A CA 1.871 53.742 52.037 -0.277 0.000 0.628 925 A CB -1.014 17.946 19.000 -0.067 0.000 0.814 925 A HN 0.621 nan 8.150 nan 0.000 0.444 926 E N -0.157 119.959 120.200 -0.140 0.000 2.047 926 E HA -0.088 4.263 4.350 0.002 0.000 0.191 926 E C 2.170 178.701 176.600 -0.114 0.000 0.987 926 E CA 0.980 57.326 56.400 -0.090 0.000 0.799 926 E CB -0.278 29.406 29.700 -0.026 0.000 0.752 926 E HN 0.509 nan 8.360 nan 0.000 0.449 927 A N 0.699 123.448 122.820 -0.119 0.000 1.883 927 A HA -0.201 4.120 4.320 0.002 0.000 0.217 927 A C 2.043 179.508 177.584 -0.198 0.000 1.186 927 A CA 1.452 53.436 52.037 -0.087 0.000 0.624 927 A CB -1.027 17.992 19.000 0.032 0.000 0.822 927 A HN 0.504 nan 8.150 nan 0.000 0.444 928 F N 0.728 120.366 119.950 -0.520 0.000 2.095 928 F HA -0.114 4.414 4.527 0.002 0.000 0.298 928 F C 2.627 178.238 175.800 -0.314 0.000 1.104 928 F CA 1.357 59.043 58.000 -0.524 0.000 1.232 928 F CB -0.369 38.085 39.000 -0.909 0.000 0.987 928 F HN 0.268 nan 8.300 nan 0.000 0.475 929 A N -0.001 122.729 122.820 -0.149 0.000 1.892 929 A HA -0.276 4.045 4.320 0.002 0.000 0.218 929 A C 2.185 179.647 177.584 -0.204 0.000 1.188 929 A CA 2.240 54.189 52.037 -0.147 0.000 0.631 929 A CB -0.744 18.191 19.000 -0.108 0.000 0.822 929 A HN 0.451 nan 8.150 nan 0.000 0.447 930 K N -0.483 119.806 120.400 -0.185 0.000 2.097 930 K HA 0.054 4.374 4.320 0.002 0.000 0.205 930 K C 2.282 178.765 176.600 -0.195 0.000 1.050 930 K CA 1.047 57.237 56.287 -0.162 0.000 0.938 930 K CB -0.305 32.128 32.500 -0.112 0.000 0.718 930 K HN 0.446 nan 8.250 nan 0.000 0.442 931 A N 1.128 123.783 122.820 -0.274 0.000 1.902 931 A HA -0.261 4.060 4.320 0.002 0.000 0.217 931 A C 2.152 179.517 177.584 -0.364 0.000 1.181 931 A CA 1.641 53.488 52.037 -0.317 0.000 0.623 931 A CB -0.546 18.216 19.000 -0.397 0.000 0.818 931 A HN 0.385 nan 8.150 nan 0.000 0.443 932 Q N -0.940 118.564 119.800 -0.493 0.000 2.079 932 Q HA -0.160 4.181 4.340 0.002 0.000 0.200 932 Q C 1.979 177.855 176.000 -0.205 0.000 0.974 932 Q CA 1.682 57.253 55.803 -0.387 0.000 0.840 932 Q CB -0.235 28.251 28.738 -0.420 0.000 0.898 932 Q HN 0.528 nan 8.270 nan 0.000 0.430 933 L N 0.269 121.380 121.223 -0.187 0.000 2.056 933 L HA 0.041 4.382 4.340 0.002 0.000 0.207 933 L C 2.139 178.962 176.870 -0.077 0.000 1.078 933 L CA 2.341 57.109 54.840 -0.120 0.000 0.749 933 L CB -0.988 40.983 42.059 -0.148 0.000 0.901 933 L HN 0.284 nan 8.230 nan 0.000 0.433 934 G N -1.325 107.415 108.800 -0.100 0.000 2.432 934 G HA2 -0.290 3.671 3.960 0.002 0.000 0.219 934 G HA3 -0.290 3.671 3.960 0.002 0.000 0.219 934 G C 1.535 176.400 174.900 -0.059 0.000 1.135 934 G CA 0.928 45.987 45.100 -0.068 0.000 0.767 934 G HN 0.588 nan 8.290 nan 0.000 0.550 935 S N -0.487 115.165 115.700 -0.081 0.000 2.607 935 S HA 0.022 4.493 4.470 0.002 0.000 0.224 935 S C 1.090 175.679 174.600 -0.019 0.000 0.969 935 S CA 0.789 58.952 58.200 -0.062 0.000 0.927 935 S CB -0.571 62.577 63.200 -0.088 0.000 0.772 935 S HN 0.572 nan 8.310 nan 0.000 0.533 936 N N 0.220 118.919 118.700 -0.002 0.000 2.818 936 N HA -0.185 4.556 4.740 0.002 0.000 0.250 936 N C -0.384 175.162 175.510 0.061 0.000 1.108 936 N CA 0.586 53.655 53.050 0.031 0.000 0.745 936 N CB -1.609 36.893 38.487 0.025 0.000 1.104 936 N HN 0.545 nan 8.380 nan 0.000 0.557 937 S N -0.076 115.660 115.700 0.059 0.000 2.562 937 S HA 0.192 4.663 4.470 0.002 0.000 0.281 937 S C 1.439 176.113 174.600 0.123 0.000 1.333 937 S CA 0.714 58.996 58.200 0.137 0.000 1.052 937 S CB 0.998 64.233 63.200 0.059 0.000 0.884 937 S HN 0.304 nan 8.310 nan 0.000 0.506 938 T N 3.045 117.714 114.554 0.192 0.000 3.244 938 T HA 0.248 4.599 4.350 0.002 0.000 0.254 938 T C 0.428 175.216 174.700 0.147 0.000 1.024 938 T CA -0.523 61.672 62.100 0.159 0.000 0.920 938 T CB -0.378 68.594 68.868 0.173 0.000 1.042 938 T HN 0.536 nan 8.240 nan 0.000 0.572 939 M N 3.123 122.773 119.600 0.083 0.000 2.251 939 M HA 0.243 4.724 4.480 0.002 0.000 0.343 939 M C -0.200 176.104 176.300 0.006 0.000 1.245 939 M CA -0.095 55.207 55.300 0.004 0.000 1.061 939 M CB 0.100 32.556 32.600 -0.239 0.000 1.723 939 M HN 0.065 nan 8.290 nan 0.000 0.449 940 K N 4.130 124.541 120.400 0.018 0.000 2.306 940 K HA 0.390 4.711 4.320 0.002 0.000 0.236 940 K C -0.235 176.372 176.600 0.012 0.000 1.013 940 K CA -0.805 55.451 56.287 -0.051 0.000 0.857 940 K CB 1.274 33.596 32.500 -0.296 0.000 1.214 940 K HN 0.590 nan 8.250 nan 0.000 0.449 941 K N 1.238 121.645 120.400 0.011 0.000 2.410 941 K HA 0.058 4.379 4.320 0.002 0.000 0.200 941 K C 0.276 176.813 176.600 -0.105 0.000 1.023 941 K CA 0.123 56.455 56.287 0.076 0.000 1.149 941 K CB 0.087 32.634 32.500 0.078 0.000 0.859 941 K HN 0.612 nan 8.250 nan 0.000 0.514 942 H N -2.479 116.354 119.070 -0.396 0.000 2.948 942 H HA 0.592 5.149 4.556 0.002 0.000 0.315 942 H C 0.039 174.911 175.328 -0.759 0.000 1.360 942 H CA -0.285 55.286 56.048 -0.795 0.000 1.125 942 H CB 1.211 30.766 29.762 -0.345 0.000 1.844 942 H HN 0.097 nan 8.280 nan 0.000 0.529 943 G N 0.484 108.970 108.800 -0.523 0.000 2.342 943 G HA2 -0.009 3.952 3.960 0.002 0.000 0.220 943 G HA3 -0.009 3.952 3.960 0.002 0.000 0.220 943 G C -1.373 173.573 174.900 0.077 0.000 1.243 943 G CA -0.441 44.587 45.100 -0.118 0.000 1.083 943 G HN 0.833 nan 8.290 nan 0.000 0.500 944 R N 0.180 120.858 120.500 0.298 0.000 2.494 944 R HA 0.736 5.077 4.340 0.002 0.000 0.305 944 R C 0.034 176.659 176.300 0.541 0.000 0.959 944 R CA 0.132 56.483 56.100 0.419 0.000 0.864 944 R CB 1.340 31.839 30.300 0.332 0.000 1.159 944 R HN 1.480 nan 8.270 nan 0.000 0.446 945 A N 4.032 127.114 122.820 0.436 0.000 2.320 945 A HA 0.569 4.890 4.320 0.002 0.000 0.334 945 A C -1.518 176.035 177.584 -0.052 0.000 1.147 945 A CA -0.765 51.403 52.037 0.217 0.000 0.820 945 A CB 1.399 20.482 19.000 0.140 0.000 1.218 945 A HN 0.608 nan 8.150 nan 0.000 0.482 946 L N 2.084 123.090 121.223 -0.362 0.000 2.325 946 L HA 0.710 5.051 4.340 0.002 0.000 0.281 946 L C -1.637 175.023 176.870 -0.349 0.000 1.004 946 L CA -0.385 54.137 54.840 -0.531 0.000 0.823 946 L CB 1.175 42.623 42.059 -1.018 0.000 1.236 946 L HN 0.479 nan 8.230 nan 0.000 0.415 947 L N 4.378 125.468 121.223 -0.223 0.000 2.322 947 L HA 0.709 5.050 4.340 0.002 0.000 0.281 947 L C 0.060 176.851 176.870 -0.131 0.000 1.014 947 L CA -0.003 54.739 54.840 -0.163 0.000 0.815 947 L CB 1.637 43.635 42.059 -0.102 0.000 1.247 947 L HN 0.684 nan 8.230 nan 0.000 0.421 948 S N 2.327 117.957 115.700 -0.117 0.000 2.397 948 S HA 0.570 5.041 4.470 0.002 0.000 0.190 948 S C -0.862 173.701 174.600 -0.061 0.000 1.100 948 S CA -0.527 57.624 58.200 -0.081 0.000 1.150 948 S CB 0.371 63.509 63.200 -0.103 0.000 1.302 948 S HN 0.452 nan 8.310 nan 0.000 0.417 949 V N 2.768 122.660 119.914 -0.037 0.000 3.019 949 V HA 0.857 4.978 4.120 0.002 0.000 0.317 949 V C -0.158 175.932 176.094 -0.006 0.000 1.094 949 V CA -1.375 60.914 62.300 -0.019 0.000 1.000 949 V CB 1.487 33.303 31.823 -0.012 0.000 1.060 949 V HN 0.781 nan 8.190 nan 0.000 0.443 950 R N 0.482 120.982 120.500 0.001 0.000 2.546 950 R HA 0.523 4.864 4.340 0.002 0.000 0.266 950 R C 0.987 177.294 176.300 0.011 0.000 1.086 950 R CA -0.481 55.618 56.100 -0.002 0.000 1.160 950 R CB 0.188 30.482 30.300 -0.011 0.000 1.138 950 R HN 0.666 nan 8.270 nan 0.000 0.567 951 E N 1.232 121.436 120.200 0.006 0.000 2.072 951 E HA -0.208 4.143 4.350 0.002 0.000 0.218 951 E C 1.986 178.605 176.600 0.032 0.000 1.051 951 E CA 2.465 58.875 56.400 0.017 0.000 0.880 951 E CB -1.003 28.701 29.700 0.007 0.000 0.783 951 E HN 0.898 nan 8.360 nan 0.000 0.473 952 G N -0.239 108.585 108.800 0.040 0.000 2.615 952 G HA2 -0.220 3.741 3.960 0.002 0.000 0.213 952 G HA3 -0.220 3.741 3.960 0.002 0.000 0.213 952 G C 0.825 175.765 174.900 0.065 0.000 1.135 952 G CA 1.060 46.195 45.100 0.059 0.000 0.772 952 G HN 0.182 nan 8.290 nan 0.000 0.542 953 D N -0.845 119.592 120.400 0.060 0.000 2.479 953 D HA 0.120 4.761 4.640 0.002 0.000 0.216 953 D C 2.170 178.510 176.300 0.066 0.000 1.110 953 D CA 0.009 54.053 54.000 0.074 0.000 0.841 953 D CB 0.224 41.065 40.800 0.068 0.000 1.040 953 D HN 0.175 nan 8.370 nan 0.000 0.505 954 K N 0.773 121.202 120.400 0.048 0.000 2.152 954 K HA -0.131 4.190 4.320 0.002 0.000 0.206 954 K C 1.809 178.438 176.600 0.049 0.000 1.048 954 K CA 0.865 57.177 56.287 0.041 0.000 0.933 954 K CB 0.258 32.776 32.500 0.031 0.000 0.721 954 K HN 0.153 nan 8.250 nan 0.000 0.447 955 E N 0.766 120.999 120.200 0.055 0.000 2.028 955 E HA -0.153 4.198 4.350 0.002 0.000 0.191 955 E C 1.889 178.535 176.600 0.078 0.000 0.988 955 E CA 1.099 57.532 56.400 0.055 0.000 0.799 955 E CB 0.155 29.883 29.700 0.046 0.000 0.755 955 E HN 0.174 nan 8.360 nan 0.000 0.447 956 R N 0.042 120.608 120.500 0.110 0.000 2.307 956 R HA -0.006 4.335 4.340 0.002 0.000 0.199 956 R C 2.122 178.575 176.300 0.256 0.000 1.000 956 R CA 0.048 56.264 56.100 0.192 0.000 1.023 956 R CB 0.168 30.612 30.300 0.241 0.000 0.908 956 R HN 0.075 nan 8.270 nan 0.000 0.473 957 V N 0.132 120.127 119.914 0.135 0.000 3.041 957 V HA -0.117 4.004 4.120 0.002 0.000 0.260 957 V C 1.769 177.893 176.094 0.049 0.000 1.105 957 V CA 1.131 63.468 62.300 0.063 0.000 1.125 957 V CB 0.201 32.037 31.823 0.021 0.000 0.730 957 V HN 0.081 nan 8.190 nan 0.000 0.479 958 V N 0.568 120.528 119.914 0.075 0.000 2.295 958 V HA -0.223 3.898 4.120 0.002 0.000 0.246 958 V C 2.380 178.522 176.094 0.079 0.000 1.049 958 V CA 2.532 64.868 62.300 0.060 0.000 1.024 958 V CB -0.696 31.159 31.823 0.054 0.000 0.648 958 V HN 0.711 nan 8.190 nan 0.000 0.447 959 D N -0.498 119.987 120.400 0.142 0.000 2.263 959 D HA -0.150 4.491 4.640 0.002 0.000 0.208 959 D C 1.809 178.225 176.300 0.193 0.000 0.971 959 D CA 0.837 54.950 54.000 0.187 0.000 0.867 959 D CB 0.001 40.945 40.800 0.240 0.000 0.929 959 D HN 0.350 nan 8.370 nan 0.000 0.492 960 L N -0.124 121.145 121.223 0.077 0.000 2.162 960 L HA 0.279 4.620 4.340 0.002 0.000 0.205 960 L C 2.120 178.925 176.870 -0.108 0.000 1.086 960 L CA 1.541 56.264 54.840 -0.195 0.000 0.778 960 L CB -0.837 40.867 42.059 -0.592 0.000 0.928 960 L HN 0.005 nan 8.230 nan 0.000 0.446 961 A N -0.084 122.706 122.820 -0.050 0.000 1.902 961 A HA -0.118 4.203 4.320 0.002 0.000 0.217 961 A C 2.445 180.035 177.584 0.010 0.000 1.181 961 A CA 1.852 53.876 52.037 -0.021 0.000 0.623 961 A CB -1.164 17.834 19.000 -0.004 0.000 0.818 961 A HN 0.562 nan 8.150 nan 0.000 0.443 962 A N -0.303 122.535 122.820 0.030 0.000 1.877 962 A HA -0.169 4.152 4.320 0.002 0.000 0.216 962 A C 2.104 179.717 177.584 0.048 0.000 1.186 962 A CA 1.910 53.975 52.037 0.046 0.000 0.620 962 A CB -0.496 18.537 19.000 0.055 0.000 0.822 962 A HN 0.519 nan 8.150 nan 0.000 0.443 963 K N -0.516 119.910 120.400 0.043 0.000 2.074 963 K HA -0.117 4.204 4.320 0.002 0.000 0.209 963 K C 1.787 178.400 176.600 0.022 0.000 1.048 963 K CA 1.624 57.934 56.287 0.038 0.000 0.926 963 K CB -0.379 32.144 32.500 0.038 0.000 0.713 963 K HN 0.504 nan 8.250 nan 0.000 0.444 964 L N 0.488 121.701 121.223 -0.018 0.000 2.156 964 L HA -0.131 4.210 4.340 0.002 0.000 0.208 964 L C 2.204 179.175 176.870 0.167 0.000 1.095 964 L CA 0.624 55.453 54.840 -0.019 0.000 0.770 964 L CB -0.277 41.681 42.059 -0.168 0.000 0.914 964 L HN 0.177 nan 8.230 nan 0.000 0.439 965 L N -0.100 121.190 121.223 0.112 0.000 1.994 965 L HA -0.246 4.095 4.340 0.002 0.000 0.208 965 L C 2.750 179.690 176.870 0.117 0.000 1.071 965 L CA 1.430 56.344 54.840 0.123 0.000 0.745 965 L CB -0.445 41.662 42.059 0.081 0.000 0.892 965 L HN 0.230 nan 8.230 nan 0.000 0.431 966 K N -0.485 119.970 120.400 0.091 0.000 2.127 966 K HA -0.259 4.062 4.320 0.002 0.000 0.208 966 K C 2.154 178.811 176.600 0.095 0.000 1.047 966 K CA 1.430 57.763 56.287 0.078 0.000 0.927 966 K CB 0.013 32.550 32.500 0.062 0.000 0.716 966 K HN 0.266 nan 8.250 nan 0.000 0.450 967 Q N -0.989 118.899 119.800 0.146 0.000 2.364 967 Q HA -0.074 4.267 4.340 0.002 0.000 0.207 967 Q C 1.039 177.122 176.000 0.138 0.000 0.970 967 Q CA 1.384 57.299 55.803 0.186 0.000 0.888 967 Q CB 0.525 29.465 28.738 0.336 0.000 0.951 967 Q HN 0.669 nan 8.270 nan 0.000 0.469 968 G N -0.559 108.321 108.800 0.133 0.000 2.154 968 G HA2 -0.214 3.747 3.960 0.002 0.000 0.186 968 G HA3 -0.214 3.747 3.960 0.002 0.000 0.186 968 G C -0.227 174.646 174.900 -0.044 0.000 1.000 968 G CA -0.364 44.749 45.100 0.022 0.000 0.664 968 G HN 0.209 nan 8.290 nan 0.000 0.513 969 F N 1.330 121.310 119.950 0.050 0.000 2.371 969 F HA 0.594 5.122 4.527 0.001 0.000 0.329 969 F C 1.010 176.849 175.800 0.066 0.000 1.107 969 F CA -0.271 57.768 58.000 0.064 0.000 1.137 969 F CB 0.929 39.963 39.000 0.056 0.000 1.214 969 F HN 0.051 nan 8.300 nan 0.000 0.536 970 E N 2.320 122.688 120.200 0.280 0.000 2.222 970 E HA 0.537 4.888 4.350 0.002 0.000 0.272 970 E C -1.082 175.657 176.600 0.233 0.000 0.982 970 E CA -0.705 55.815 56.400 0.200 0.000 0.842 970 E CB 1.752 31.533 29.700 0.136 0.000 1.144 970 E HN 0.389 nan 8.360 nan 0.000 0.397 971 L N 1.457 122.775 121.223 0.159 0.000 2.330 971 L HA 0.548 4.889 4.340 0.002 0.000 0.271 971 L C -0.573 176.365 176.870 0.114 0.000 1.013 971 L CA -0.896 54.021 54.840 0.128 0.000 0.816 971 L CB 1.487 43.592 42.059 0.076 0.000 1.287 971 L HN 0.423 nan 8.230 nan 0.000 0.435 972 D N 0.409 120.858 120.400 0.081 0.000 2.601 972 D HA 0.850 5.491 4.640 0.002 0.000 0.230 972 D C -1.185 175.103 176.300 -0.020 0.000 1.106 972 D CA -0.095 53.947 54.000 0.070 0.000 0.873 972 D CB 2.479 43.392 40.800 0.189 0.000 1.515 972 D HN 0.745 nan 8.370 nan 0.000 0.468 973 A N 0.247 123.060 122.820 -0.011 0.000 2.608 973 A HA 0.667 4.988 4.320 0.002 0.000 0.292 973 A C -0.507 177.067 177.584 -0.017 0.000 1.066 973 A CA -0.803 51.211 52.037 -0.038 0.000 0.676 973 A CB 0.933 19.913 19.000 -0.033 0.000 1.277 973 A HN 0.456 nan 8.150 nan 0.000 0.413 974 T N -1.486 113.058 114.554 -0.016 0.000 2.874 974 T HA 0.447 4.798 4.350 0.002 0.000 0.281 974 T C 1.135 175.866 174.700 0.051 0.000 0.994 974 T CA 0.677 62.789 62.100 0.020 0.000 1.015 974 T CB 0.667 69.545 68.868 0.017 0.000 1.028 974 T HN 0.899 nan 8.240 nan 0.000 0.523 975 H N 1.892 120.956 119.070 -0.010 0.000 2.315 975 H HA -0.259 4.298 4.556 0.001 0.000 0.284 975 H C 2.393 177.722 175.328 0.002 0.000 1.102 975 H CA 2.946 58.994 56.048 -0.000 0.000 1.159 975 H CB -0.926 28.839 29.762 0.006 0.000 1.382 975 H HN 0.844 nan 8.280 nan 0.000 0.542 976 G N -1.912 107.039 108.800 0.252 0.000 2.469 976 G HA2 -0.305 3.656 3.960 0.002 0.000 0.220 976 G HA3 -0.305 3.656 3.960 0.002 0.000 0.220 976 G C 1.687 176.618 174.900 0.051 0.000 1.136 976 G CA 1.474 46.670 45.100 0.159 0.000 0.759 976 G HN 0.534 nan 8.290 nan 0.000 0.562 977 T N 1.735 116.305 114.554 0.028 0.000 2.701 977 T HA 0.062 4.413 4.350 0.002 0.000 0.263 977 T C 2.852 177.540 174.700 -0.020 0.000 1.040 977 T CA 1.500 63.600 62.100 0.000 0.000 1.147 977 T CB -0.540 68.321 68.868 -0.012 0.000 0.865 977 T HN 0.373 nan 8.240 nan 0.000 0.426 978 A N 1.773 124.567 122.820 -0.043 0.000 1.948 978 A HA -0.118 4.203 4.320 0.002 0.000 0.220 978 A C 2.282 179.816 177.584 -0.083 0.000 1.177 978 A CA 1.283 53.278 52.037 -0.069 0.000 0.636 978 A CB -0.863 18.079 19.000 -0.097 0.000 0.815 978 A HN 0.426 nan 8.150 nan 0.000 0.449 979 I N -0.112 120.394 120.570 -0.106 0.000 2.127 979 I HA -0.218 3.953 4.170 0.002 0.000 0.241 979 I C 2.511 178.610 176.117 -0.030 0.000 1.075 979 I CA 1.603 62.854 61.300 -0.082 0.000 1.334 979 I CB -1.351 36.618 38.000 -0.051 0.000 1.040 979 I HN 0.196 nan 8.210 nan 0.000 0.405 980 V N 0.962 120.870 119.914 -0.010 0.000 2.343 980 V HA -0.249 3.872 4.120 0.002 0.000 0.247 980 V C 2.584 178.680 176.094 0.003 0.000 1.051 980 V CA 1.438 63.740 62.300 0.004 0.000 1.036 980 V CB -0.634 31.197 31.823 0.014 0.000 0.654 980 V HN 0.327 nan 8.190 nan 0.000 0.451 981 L N 0.498 121.719 121.223 -0.004 0.000 2.056 981 L HA -0.051 4.290 4.340 0.002 0.000 0.207 981 L C 2.706 179.575 176.870 -0.002 0.000 1.078 981 L CA 1.677 56.517 54.840 0.000 0.000 0.749 981 L CB -1.149 40.908 42.059 -0.004 0.000 0.901 981 L HN 0.463 nan 8.230 nan 0.000 0.433 982 G N -0.149 108.643 108.800 -0.013 0.000 2.476 982 G HA2 -0.272 3.689 3.960 0.002 0.000 0.218 982 G HA3 -0.272 3.689 3.960 0.002 0.000 0.218 982 G C 1.347 176.244 174.900 -0.004 0.000 1.164 982 G CA 0.747 45.839 45.100 -0.014 0.000 0.768 982 G HN 0.455 nan 8.290 nan 0.000 0.560 983 E N 0.546 120.744 120.200 -0.003 0.000 2.333 983 E HA 0.028 4.379 4.350 0.002 0.000 0.198 983 E C 2.553 179.158 176.600 0.009 0.000 1.007 983 E CA 0.569 56.971 56.400 0.004 0.000 0.845 983 E CB -0.085 29.619 29.700 0.006 0.000 0.766 983 E HN 0.472 nan 8.360 nan 0.000 0.507 984 A N 0.218 123.044 122.820 0.011 0.000 2.238 984 A HA 0.318 4.639 4.320 0.002 0.000 0.210 984 A C 1.754 179.347 177.584 0.015 0.000 1.179 984 A CA 0.705 52.751 52.037 0.016 0.000 0.827 984 A CB 0.070 19.082 19.000 0.020 0.000 0.856 984 A HN 0.310 nan 8.150 nan 0.000 0.488 985 G N -1.005 107.801 108.800 0.011 0.000 2.159 985 G HA2 -0.178 3.783 3.960 0.002 0.000 0.227 985 G HA3 -0.178 3.783 3.960 0.002 0.000 0.227 985 G C 0.018 174.926 174.900 0.014 0.000 0.986 985 G CA 0.138 45.245 45.100 0.012 0.000 0.651 985 G HN 0.425 nan 8.290 nan 0.000 0.523 986 I N 1.242 121.819 120.570 0.013 0.000 2.321 986 I HA 0.276 4.447 4.170 0.002 0.000 0.291 986 I C -0.095 176.027 176.117 0.009 0.000 0.998 986 I CA -0.475 60.835 61.300 0.016 0.000 1.227 986 I CB 1.292 39.303 38.000 0.019 0.000 1.368 986 I HN 0.080 nan 8.210 nan 0.000 0.466 987 N N 8.347 127.054 118.700 0.012 0.000 2.609 987 N HA 0.335 5.076 4.740 0.002 0.000 0.234 987 N C -2.386 173.131 175.510 0.013 0.000 1.001 987 N CA -1.316 51.738 53.050 0.006 0.000 0.926 987 N CB 1.141 39.630 38.487 0.005 0.000 1.130 987 N HN 0.374 nan 8.380 nan 0.000 0.510 988 P HA 0.108 nan 4.420 nan 0.000 0.276 988 P C -0.605 176.706 177.300 0.019 0.000 1.261 988 P CA -0.462 62.649 63.100 0.019 0.000 0.800 988 P CB 1.030 32.735 31.700 0.008 0.000 1.066 989 R N 1.396 121.918 120.500 0.038 0.000 2.248 989 R HA 0.235 4.576 4.340 0.002 0.000 0.328 989 R C -0.092 176.229 176.300 0.035 0.000 1.067 989 R CA -0.643 55.480 56.100 0.039 0.000 0.924 989 R CB -0.260 30.076 30.300 0.060 0.000 1.013 989 R HN 0.328 nan 8.270 nan 0.000 0.454 990 L N 4.817 126.050 121.223 0.017 0.000 2.506 990 L HA 0.122 4.463 4.340 0.002 0.000 0.281 990 L C -0.776 176.116 176.870 0.036 0.000 1.228 990 L CA 0.728 55.576 54.840 0.013 0.000 0.850 990 L CB 1.244 43.302 42.059 -0.002 0.000 1.110 990 L HN 0.495 nan 8.230 nan 0.000 0.496 991 V N 5.506 125.443 119.914 0.039 0.000 2.760 991 V HA 0.423 4.544 4.120 0.002 0.000 0.309 991 V C -0.408 175.711 176.094 0.042 0.000 1.077 991 V CA -0.762 61.572 62.300 0.058 0.000 0.910 991 V CB 2.210 34.089 31.823 0.093 0.000 1.008 991 V HN 0.938 nan 8.190 nan 0.000 0.424 992 N N 4.124 122.851 118.700 0.044 0.000 2.488 992 N HA 0.324 5.065 4.740 0.002 0.000 0.274 992 N C -0.505 175.004 175.510 -0.002 0.000 1.111 992 N CA -0.371 52.689 53.050 0.017 0.000 0.974 992 N CB 0.900 39.399 38.487 0.020 0.000 1.089 992 N HN 0.567 nan 8.380 nan 0.000 0.465 993 K N 0.754 121.080 120.400 -0.123 0.000 2.230 993 K HA 0.045 4.366 4.320 0.002 0.000 0.253 993 K C 0.999 177.457 176.600 -0.237 0.000 1.008 993 K CA -0.406 55.755 56.287 -0.209 0.000 0.910 993 K CB 0.606 32.901 32.500 -0.341 0.000 0.994 993 K HN 0.250 nan 8.250 nan 0.000 0.495 994 V N 1.327 121.125 119.914 -0.194 0.000 2.469 994 V HA -0.266 3.855 4.120 0.002 0.000 0.251 994 V C 1.786 177.853 176.094 -0.046 0.000 1.064 994 V CA 2.165 64.356 62.300 -0.180 0.000 1.066 994 V CB -1.298 30.345 31.823 -0.300 0.000 0.667 994 V HN 0.844 nan 8.190 nan 0.000 0.461 995 H N -0.826 118.247 119.070 0.005 0.000 2.548 995 H HA 0.121 4.678 4.556 0.001 0.000 0.268 995 H C 1.946 177.295 175.328 0.035 0.000 0.975 995 H CA 0.875 56.933 56.048 0.017 0.000 1.195 995 H CB -0.300 29.458 29.762 -0.007 0.000 1.397 995 H HN 0.425 nan 8.280 nan 0.000 0.572 996 E N 0.507 120.483 120.200 -0.374 0.000 2.047 996 E HA 0.135 4.486 4.350 0.002 0.000 0.191 996 E C 1.200 177.782 176.600 -0.031 0.000 0.987 996 E CA 1.086 57.380 56.400 -0.177 0.000 0.799 996 E CB 0.130 29.692 29.700 -0.230 0.000 0.752 996 E HN 0.648 nan 8.360 nan 0.000 0.449 997 G N -0.760 108.041 108.800 0.002 0.000 2.520 997 G HA2 0.210 4.171 3.960 0.002 0.000 0.067 997 G HA3 0.210 4.171 3.960 0.002 0.000 0.067 997 G C -1.174 173.710 174.900 -0.026 0.000 0.977 997 G CA -0.744 44.363 45.100 0.011 0.000 1.152 997 G HN 0.042 nan 8.290 nan 0.000 0.479 998 R N -0.020 120.438 120.500 -0.069 0.000 2.664 998 R HA 0.551 4.892 4.340 0.002 0.000 0.266 998 R C -2.824 173.414 176.300 -0.102 0.000 1.046 998 R CA -1.012 54.994 56.100 -0.157 0.000 0.885 998 R CB 2.210 32.384 30.300 -0.211 0.000 1.254 998 R HN 0.435 nan 8.270 nan 0.000 0.465 999 P HA 0.208 nan 4.420 nan 0.000 0.276 999 P C -1.143 176.088 177.300 -0.114 0.000 1.252 999 P CA -0.407 62.566 63.100 -0.212 0.000 0.802 999 P CB 0.499 32.097 31.700 -0.170 0.000 1.035 1000 H N -0.306 118.756 119.070 -0.013 0.000 2.615 1000 H HA 0.256 4.813 4.556 0.002 0.000 0.346 1000 H C 0.986 176.325 175.328 0.018 0.000 1.200 1000 H CA -0.921 55.119 56.048 -0.013 0.000 1.264 1000 H CB 0.821 30.562 29.762 -0.036 0.000 1.699 1000 H HN 0.174 nan 8.280 nan 0.000 0.567 1001 I N -1.482 119.230 120.570 0.237 0.000 2.236 1001 I HA -0.327 3.844 4.170 0.002 0.000 0.249 1001 I C 2.265 178.502 176.117 0.201 0.000 1.102 1001 I CA 1.356 62.773 61.300 0.196 0.000 1.365 1001 I CB -1.092 36.950 38.000 0.068 0.000 1.051 1001 I HN 0.636 nan 8.210 nan 0.000 0.420 1002 Q N 0.972 120.869 119.800 0.162 0.000 2.020 1002 Q HA -0.239 4.102 4.340 0.002 0.000 0.202 1002 Q C 1.970 178.064 176.000 0.157 0.000 0.982 1002 Q CA 2.339 58.202 55.803 0.101 0.000 0.838 1002 Q CB -0.319 28.361 28.738 -0.096 0.000 0.899 1002 Q HN 0.636 nan 8.270 nan 0.000 0.423 1003 D N -0.063 120.526 120.400 0.316 0.000 2.092 1003 D HA -0.165 4.476 4.640 0.002 0.000 0.193 1003 D C 2.079 178.361 176.300 -0.030 0.000 0.994 1003 D CA 0.970 55.017 54.000 0.078 0.000 0.828 1003 D CB -0.125 40.631 40.800 -0.073 0.000 0.963 1003 D HN 0.243 nan 8.370 nan 0.000 0.450 1004 R N 0.476 120.979 120.500 0.005 0.000 2.083 1004 R HA -0.107 4.234 4.340 0.002 0.000 0.237 1004 R C 2.631 178.812 176.300 -0.199 0.000 1.137 1004 R CA 0.784 56.806 56.100 -0.130 0.000 0.951 1004 R CB -0.645 29.599 30.300 -0.094 0.000 0.851 1004 R HN 0.320 nan 8.270 nan 0.000 0.434 1005 I N 1.090 121.672 120.570 0.020 0.000 2.226 1005 I HA -0.276 3.895 4.170 0.002 0.000 0.245 1005 I C 2.700 178.663 176.117 -0.256 0.000 1.100 1005 I CA 1.315 62.633 61.300 0.029 0.000 1.374 1005 I CB -0.396 37.688 38.000 0.139 0.000 1.057 1005 I HN 0.180 nan 8.210 nan 0.000 0.413 1006 K N 1.674 121.852 120.400 -0.370 0.000 2.209 1006 K HA -0.164 4.157 4.320 0.002 0.000 0.204 1006 K C 1.028 177.304 176.600 -0.540 0.000 1.048 1006 K CA 1.750 57.550 56.287 -0.813 0.000 0.940 1006 K CB -0.144 32.060 32.500 -0.492 0.000 0.729 1006 K HN 0.403 nan 8.250 nan 0.000 0.451 1007 N N -0.411 118.108 118.700 -0.302 0.000 2.313 1007 N HA 0.122 4.863 4.740 0.002 0.000 0.207 1007 N C 0.191 175.593 175.510 -0.180 0.000 1.141 1007 N CA 0.407 53.332 53.050 -0.209 0.000 0.830 1007 N CB 1.089 39.483 38.487 -0.154 0.000 1.008 1007 N HN 0.372 nan 8.380 nan 0.000 0.481 1008 G N 1.021 109.706 108.800 -0.191 0.000 2.153 1008 G HA2 -0.319 3.642 3.960 0.002 0.000 0.252 1008 G HA3 -0.319 3.642 3.960 0.002 0.000 0.252 1008 G C 0.955 175.763 174.900 -0.154 0.000 0.994 1008 G CA 0.381 45.412 45.100 -0.115 0.000 0.698 1008 G HN 0.379 nan 8.290 nan 0.000 0.521 1009 E N -0.950 119.059 120.200 -0.318 0.000 2.085 1009 E HA -0.103 4.248 4.350 0.002 0.000 0.194 1009 E C 0.643 177.012 176.600 -0.386 0.000 0.994 1009 E CA 1.210 57.330 56.400 -0.467 0.000 0.801 1009 E CB -0.120 29.127 29.700 -0.756 0.000 0.743 1009 E HN 0.670 nan 8.360 nan 0.000 0.453 1010 Y N 0.633 120.965 120.300 0.053 0.000 2.352 1010 Y HA 0.190 4.741 4.550 0.001 0.000 0.326 1010 Y C 1.629 177.605 175.900 0.127 0.000 1.166 1010 Y CA -0.278 57.879 58.100 0.094 0.000 1.182 1010 Y CB 1.316 39.820 38.460 0.073 0.000 1.216 1010 Y HN -0.115 nan 8.280 nan 0.000 0.474 1011 T N -2.319 112.461 114.554 0.377 0.000 3.044 1011 T HA 0.245 4.596 4.350 0.002 0.000 0.260 1011 T C -0.712 174.240 174.700 0.420 0.000 1.019 1011 T CA -0.061 62.221 62.100 0.305 0.000 0.921 1011 T CB -0.278 68.683 68.868 0.156 0.000 1.053 1011 T HN 0.511 nan 8.240 nan 0.000 0.533 1012 Y N 0.146 120.588 120.300 0.236 0.000 2.558 1012 Y HA 0.642 5.193 4.550 0.002 0.000 0.333 1012 Y C -2.466 173.464 175.900 0.051 0.000 1.125 1012 Y CA -2.496 55.686 58.100 0.137 0.000 1.039 1012 Y CB 1.370 39.828 38.460 -0.005 0.000 1.331 1012 Y HN 0.155 nan 8.280 nan 0.000 0.456 1013 I N 6.508 126.632 120.570 -0.743 0.000 2.569 1013 I HA 0.458 4.629 4.170 0.002 0.000 0.290 1013 I C -1.570 174.038 176.117 -0.849 0.000 1.088 1013 I CA -0.940 59.963 61.300 -0.662 0.000 1.047 1013 I CB 2.224 40.059 38.000 -0.276 0.000 1.237 1013 I HN 0.536 nan 8.210 nan 0.000 0.421 1014 I N 6.989 127.185 120.570 -0.624 0.000 2.439 1014 I HA 0.441 4.612 4.170 0.002 0.000 0.285 1014 I C -1.166 174.829 176.117 -0.204 0.000 1.021 1014 I CA -0.016 61.057 61.300 -0.377 0.000 1.091 1014 I CB 1.228 39.056 38.000 -0.287 0.000 1.242 1014 I HN 0.621 nan 8.210 nan 0.000 0.439 1015 N N 5.319 123.954 118.700 -0.108 0.000 2.500 1015 N HA 0.460 5.201 4.740 0.002 0.000 0.291 1015 N C -1.517 173.978 175.510 -0.024 0.000 1.092 1015 N CA -0.280 52.724 53.050 -0.077 0.000 0.890 1015 N CB 1.561 39.992 38.487 -0.093 0.000 1.466 1015 N HN 0.665 nan 8.380 nan 0.000 0.507 1016 T N 0.284 114.826 114.554 -0.021 0.000 2.863 1016 T HA 0.638 4.989 4.350 0.002 0.000 0.285 1016 T C -0.535 174.161 174.700 -0.007 0.000 1.009 1016 T CA -0.386 61.718 62.100 0.006 0.000 0.989 1016 T CB 1.902 70.785 68.868 0.025 0.000 1.004 1016 T HN 0.271 nan 8.240 nan 0.000 0.455 1017 T N 1.618 116.169 114.554 -0.004 0.000 2.916 1017 T HA 0.698 5.049 4.350 0.002 0.000 0.305 1017 T C -1.071 173.606 174.700 -0.040 0.000 1.119 1017 T CA -0.796 61.286 62.100 -0.030 0.000 1.008 1017 T CB 1.919 70.765 68.868 -0.038 0.000 1.129 1017 T HN 0.778 nan 8.240 nan 0.000 0.480 1018 S N 0.814 116.454 115.700 -0.100 0.000 2.571 1018 S HA 0.787 5.258 4.470 0.002 0.000 0.284 1018 S C -0.355 174.044 174.600 -0.334 0.000 1.128 1018 S CA 0.379 58.459 58.200 -0.201 0.000 0.970 1018 S CB 0.868 63.925 63.200 -0.239 0.000 1.039 1018 S HN 1.582 nan 8.310 nan 0.000 0.485 1019 G N 3.648 112.238 108.800 -0.351 0.000 3.233 1019 G HA2 -0.073 3.888 3.960 0.002 0.000 0.686 1019 G HA3 -0.073 3.888 3.960 0.002 0.000 0.686 1019 G C 0.026 174.867 174.900 -0.100 0.000 1.153 1019 G CA -0.258 44.676 45.100 -0.278 0.000 0.853 1019 G HN 0.707 nan 8.290 nan 0.000 0.582 1020 R N 0.854 121.338 120.500 -0.027 0.000 2.133 1020 R HA -0.114 4.227 4.340 0.002 0.000 0.245 1020 R C 2.753 179.038 176.300 -0.025 0.000 1.137 1020 R CA 2.554 58.652 56.100 -0.004 0.000 0.947 1020 R CB -0.297 30.020 30.300 0.029 0.000 0.865 1020 R HN 0.614 nan 8.270 nan 0.000 0.437 1021 R N -0.651 119.827 120.500 -0.035 0.000 2.070 1021 R HA -0.047 4.294 4.340 0.002 0.000 0.233 1021 R C 2.037 178.305 176.300 -0.053 0.000 1.137 1021 R CA 1.579 57.654 56.100 -0.042 0.000 0.945 1021 R CB -0.545 29.729 30.300 -0.044 0.000 0.845 1021 R HN 0.337 nan 8.270 nan 0.000 0.430 1022 A N 1.181 123.959 122.820 -0.070 0.000 1.908 1022 A HA -0.178 4.143 4.320 0.002 0.000 0.218 1022 A C 2.262 179.812 177.584 -0.056 0.000 1.181 1022 A CA 1.379 53.375 52.037 -0.069 0.000 0.627 1022 A CB -0.563 18.383 19.000 -0.090 0.000 0.818 1022 A HN 0.296 nan 8.150 nan 0.000 0.445 1023 I N -0.429 120.108 120.570 -0.055 0.000 2.099 1023 I HA -0.315 3.856 4.170 0.002 0.000 0.239 1023 I C 2.560 178.651 176.117 -0.043 0.000 1.066 1023 I CA 1.994 63.267 61.300 -0.045 0.000 1.324 1023 I CB -0.535 37.444 38.000 -0.035 0.000 1.037 1023 I HN 0.454 nan 8.210 nan 0.000 0.401 1024 E N 0.593 120.771 120.200 -0.037 0.000 2.130 1024 E HA -0.274 4.077 4.350 0.002 0.000 0.196 1024 E C 1.694 178.271 176.600 -0.038 0.000 0.998 1024 E CA 1.622 58.001 56.400 -0.034 0.000 0.806 1024 E CB -0.192 29.491 29.700 -0.027 0.000 0.738 1024 E HN 0.510 nan 8.360 nan 0.000 0.459 1025 D N 0.025 120.401 120.400 -0.040 0.000 2.178 1025 D HA -0.078 4.563 4.640 0.002 0.000 0.202 1025 D C 1.888 178.170 176.300 -0.030 0.000 0.974 1025 D CA 1.270 55.249 54.000 -0.034 0.000 0.841 1025 D CB -0.141 40.636 40.800 -0.038 0.000 0.953 1025 D HN 0.125 nan 8.370 nan 0.000 0.478 1026 S N 0.031 115.706 115.700 -0.041 0.000 2.593 1026 S HA 0.058 4.529 4.470 0.002 0.000 0.217 1026 S C 1.691 176.247 174.600 -0.074 0.000 0.966 1026 S CA -0.338 57.831 58.200 -0.052 0.000 0.914 1026 S CB 0.408 63.575 63.200 -0.054 0.000 0.776 1026 S HN 0.125 nan 8.310 nan 0.000 0.523 1027 R N 1.351 121.810 120.500 -0.068 0.000 2.133 1027 R HA -0.140 4.201 4.340 0.002 0.000 0.247 1027 R C 2.106 178.349 176.300 -0.095 0.000 1.151 1027 R CA 1.707 57.759 56.100 -0.080 0.000 0.971 1027 R CB -0.767 29.498 30.300 -0.059 0.000 0.866 1027 R HN 0.416 nan 8.270 nan 0.000 0.447 1028 V N 0.823 120.687 119.914 -0.083 0.000 2.407 1028 V HA -0.224 3.897 4.120 0.002 0.000 0.248 1028 V C 2.081 178.113 176.094 -0.103 0.000 1.055 1028 V CA 1.823 64.073 62.300 -0.085 0.000 1.049 1028 V CB -0.180 31.591 31.823 -0.086 0.000 0.662 1028 V HN 0.275 nan 8.190 nan 0.000 0.455 1029 I N 0.100 120.598 120.570 -0.120 0.000 2.142 1029 I HA -0.234 3.937 4.170 0.002 0.000 0.240 1029 I C 2.719 178.688 176.117 -0.246 0.000 1.078 1029 I CA 2.131 63.341 61.300 -0.149 0.000 1.343 1029 I CB -0.518 37.392 38.000 -0.149 0.000 1.046 1029 I HN 0.219 nan 8.210 nan 0.000 0.405 1030 R N 0.216 120.537 120.500 -0.298 0.000 2.081 1030 R HA -0.083 4.258 4.340 0.002 0.000 0.235 1030 R C 2.421 178.471 176.300 -0.417 0.000 1.131 1030 R CA 1.192 56.990 56.100 -0.504 0.000 0.960 1030 R CB -0.396 29.675 30.300 -0.382 0.000 0.856 1030 R HN 0.338 nan 8.270 nan 0.000 0.436 1031 R N 0.115 120.474 120.500 -0.234 0.000 2.120 1031 R HA -0.027 4.314 4.340 0.002 0.000 0.234 1031 R C 2.295 178.521 176.300 -0.122 0.000 1.123 1031 R CA 1.459 57.464 56.100 -0.158 0.000 0.975 1031 R CB -0.174 30.069 30.300 -0.095 0.000 0.866 1031 R HN 0.137 nan 8.270 nan 0.000 0.446 1032 S N 0.940 116.590 115.700 -0.083 0.000 2.371 1032 S HA -0.043 4.428 4.470 0.002 0.000 0.224 1032 S C 2.137 176.782 174.600 0.076 0.000 1.029 1032 S CA 0.944 59.182 58.200 0.064 0.000 0.978 1032 S CB -0.072 63.212 63.200 0.139 0.000 0.833 1032 S HN 0.446 nan 8.310 nan 0.000 0.466 1033 A N 1.453 124.208 122.820 -0.109 0.000 1.948 1033 A HA -0.115 4.206 4.320 0.002 0.000 0.220 1033 A C 2.120 179.688 177.584 -0.027 0.000 1.177 1033 A CA 1.488 53.456 52.037 -0.114 0.000 0.636 1033 A CB -0.682 18.035 19.000 -0.473 0.000 0.815 1033 A HN 0.420 nan 8.150 nan 0.000 0.449 1034 L N -0.350 120.803 121.223 -0.117 0.000 2.044 1034 L HA -0.152 4.189 4.340 0.002 0.000 0.205 1034 L C 2.604 179.469 176.870 -0.007 0.000 1.075 1034 L CA 2.605 57.470 54.840 0.041 0.000 0.747 1034 L CB -0.725 41.363 42.059 0.049 0.000 0.903 1034 L HN 0.617 nan 8.230 nan 0.000 0.435 1035 Q N -1.403 118.325 119.800 -0.121 0.000 2.135 1035 Q HA -0.258 4.083 4.340 0.002 0.000 0.204 1035 Q C 1.441 177.185 176.000 -0.425 0.000 0.981 1035 Q CA 2.092 57.704 55.803 -0.318 0.000 0.856 1035 Q CB -0.310 28.136 28.738 -0.487 0.000 0.902 1035 Q HN 0.681 nan 8.270 nan 0.000 0.425 1036 Y N 0.391 120.708 120.300 0.028 0.000 2.461 1036 Y HA 0.154 4.705 4.550 0.002 0.000 0.277 1036 Y C -0.024 175.917 175.900 0.068 0.000 1.182 1036 Y CA -0.169 57.957 58.100 0.043 0.000 1.276 1036 Y CB 0.767 39.251 38.460 0.041 0.000 1.087 1036 Y HN -0.004 nan 8.280 nan 0.000 0.519 1037 K N -1.157 119.335 120.400 0.153 0.000 3.192 1037 K HA -0.150 4.170 4.320 0.002 0.000 0.278 1037 K C -0.677 176.045 176.600 0.204 0.000 1.164 1037 K CA 0.319 56.702 56.287 0.161 0.000 0.816 1037 K CB -2.535 30.044 32.500 0.133 0.000 1.256 1037 K HN 0.142 nan 8.250 nan 0.000 0.497 1038 V N 1.075 121.129 119.914 0.234 0.000 2.509 1038 V HA 0.152 4.273 4.120 0.002 0.000 0.284 1038 V C 0.827 177.109 176.094 0.312 0.000 1.047 1038 V CA -0.715 61.742 62.300 0.262 0.000 0.952 1038 V CB 1.328 33.299 31.823 0.247 0.000 0.988 1038 V HN 0.364 nan 8.190 nan 0.000 0.469 1039 H N 4.496 123.723 119.070 0.262 0.000 2.886 1039 H HA 0.376 4.933 4.556 0.002 0.000 0.329 1039 H C -0.697 174.810 175.328 0.298 0.000 1.044 1039 H CA 0.164 56.366 56.048 0.256 0.000 1.456 1039 H CB 0.276 30.177 29.762 0.231 0.000 1.464 1039 H HN 0.655 nan 8.280 nan 0.000 0.573 1040 Y N 1.556 121.534 120.300 -0.537 0.000 2.524 1040 Y HA 0.477 5.028 4.550 0.002 0.000 0.347 1040 Y C -1.513 174.214 175.900 -0.287 0.000 1.005 1040 Y CA -1.383 56.528 58.100 -0.315 0.000 1.025 1040 Y CB 1.425 39.746 38.460 -0.231 0.000 1.275 1040 Y HN 0.431 nan 8.280 nan 0.000 0.460 1041 D N 1.215 121.554 120.400 -0.103 0.000 2.350 1041 D HA 0.291 4.932 4.640 0.002 0.000 0.245 1041 D C 0.247 176.573 176.300 0.044 0.000 1.036 1041 D CA -0.379 53.618 54.000 -0.005 0.000 0.848 1041 D CB 2.190 43.104 40.800 0.190 0.000 1.307 1041 D HN 0.806 nan 8.370 nan 0.000 0.469 1042 T N -2.906 111.682 114.554 0.058 0.000 3.044 1042 T HA 0.170 4.521 4.350 0.002 0.000 0.260 1042 T C 0.629 175.379 174.700 0.084 0.000 1.019 1042 T CA -0.189 61.966 62.100 0.092 0.000 0.921 1042 T CB -0.073 68.866 68.868 0.118 0.000 1.053 1042 T HN 0.391 nan 8.240 nan 0.000 0.533 1043 T N -0.680 113.931 114.554 0.095 0.000 2.893 1043 T HA 0.629 4.980 4.350 0.002 0.000 0.293 1043 T C 0.572 175.343 174.700 0.118 0.000 1.027 1043 T CA -0.887 61.282 62.100 0.116 0.000 0.988 1043 T CB 1.831 70.784 68.868 0.143 0.000 1.043 1043 T HN -0.098 nan 8.240 nan 0.000 0.461 1044 L N 2.220 123.523 121.223 0.133 0.000 2.093 1044 L HA 0.102 4.443 4.340 0.002 0.000 0.208 1044 L C 2.169 179.214 176.870 0.292 0.000 1.085 1044 L CA 1.601 56.535 54.840 0.156 0.000 0.755 1044 L CB -1.041 41.150 42.059 0.220 0.000 0.904 1044 L HN 0.704 nan 8.230 nan 0.000 0.435 1045 N N -0.313 118.552 118.700 0.276 0.000 2.166 1045 N HA -0.130 4.611 4.740 0.002 0.000 0.186 1045 N C 1.801 177.456 175.510 0.242 0.000 1.019 1045 N CA 1.329 54.553 53.050 0.289 0.000 0.856 1045 N CB -0.703 37.911 38.487 0.211 0.000 0.993 1045 N HN 0.440 nan 8.380 nan 0.000 0.426 1046 G N -0.143 108.773 108.800 0.193 0.000 2.421 1046 G HA2 -0.174 3.787 3.960 0.002 0.000 0.216 1046 G HA3 -0.174 3.787 3.960 0.002 0.000 0.216 1046 G C 1.617 176.596 174.900 0.132 0.000 1.171 1046 G CA 1.055 46.260 45.100 0.176 0.000 0.775 1046 G HN 0.430 nan 8.290 nan 0.000 0.543 1047 G N 0.333 109.200 108.800 0.112 0.000 2.440 1047 G HA2 -0.162 3.799 3.960 0.002 0.000 0.218 1047 G HA3 -0.162 3.799 3.960 0.002 0.000 0.218 1047 G C 1.618 176.450 174.900 -0.114 0.000 1.154 1047 G CA 0.791 45.916 45.100 0.042 0.000 0.767 1047 G HN 0.339 nan 8.290 nan 0.000 0.552 1048 F N 1.703 121.657 119.950 0.006 0.000 2.171 1048 F HA 0.053 4.581 4.527 0.002 0.000 0.300 1048 F C 3.019 178.756 175.800 -0.105 0.000 1.090 1048 F CA 0.950 58.932 58.000 -0.030 0.000 1.293 1048 F CB -0.380 38.620 39.000 0.001 0.000 1.013 1048 F HN 0.242 nan 8.300 nan 0.000 0.486 1049 A N -0.700 122.096 122.820 -0.039 0.000 1.902 1049 A HA -0.171 4.150 4.320 0.002 0.000 0.217 1049 A C 2.256 179.521 177.584 -0.531 0.000 1.181 1049 A CA 2.229 53.982 52.037 -0.474 0.000 0.623 1049 A CB -1.300 17.103 19.000 -0.994 0.000 0.818 1049 A HN 0.327 nan 8.150 nan 0.000 0.443 1050 T N 0.215 114.620 114.554 -0.249 0.000 2.746 1050 T HA -0.052 4.299 4.350 0.002 0.000 0.267 1050 T C 2.227 176.805 174.700 -0.204 0.000 1.039 1050 T CA 1.639 63.658 62.100 -0.135 0.000 1.142 1050 T CB -0.486 68.291 68.868 -0.151 0.000 0.866 1050 T HN 0.615 nan 8.240 nan 0.000 0.444 1051 A N 1.582 124.281 122.820 -0.201 0.000 1.873 1051 A HA -0.172 4.149 4.320 0.002 0.000 0.218 1051 A C 2.360 179.900 177.584 -0.074 0.000 1.193 1051 A CA 1.957 53.899 52.037 -0.158 0.000 0.629 1051 A CB -0.806 18.138 19.000 -0.093 0.000 0.826 1051 A HN 0.464 nan 8.150 nan 0.000 0.447 1052 M N -0.776 118.800 119.600 -0.039 0.000 2.080 1052 M HA -0.225 4.256 4.480 0.002 0.000 0.260 1052 M C 2.527 178.803 176.300 -0.040 0.000 1.068 1052 M CA 1.672 56.967 55.300 -0.008 0.000 1.109 1052 M CB -0.525 32.100 32.600 0.041 0.000 1.342 1052 M HN 0.518 nan 8.290 nan 0.000 0.405 1053 A N 0.232 123.010 122.820 -0.070 0.000 2.019 1053 A HA -0.125 4.196 4.320 0.002 0.000 0.219 1053 A C 2.037 179.596 177.584 -0.042 0.000 1.164 1053 A CA 1.246 53.261 52.037 -0.036 0.000 0.644 1053 A CB -0.938 18.108 19.000 0.077 0.000 0.805 1053 A HN 0.487 nan 8.150 nan 0.000 0.449 1054 L N -0.642 120.553 121.223 -0.047 0.000 2.187 1054 L HA -0.206 4.135 4.340 0.002 0.000 0.213 1054 L C 1.710 178.577 176.870 -0.006 0.000 1.100 1054 L CA 1.406 56.232 54.840 -0.023 0.000 0.765 1054 L CB -0.556 41.500 42.059 -0.005 0.000 0.904 1054 L HN 0.481 nan 8.230 nan 0.000 0.437 1055 N N -0.469 118.227 118.700 -0.006 0.000 2.521 1055 N HA 0.112 4.853 4.740 0.002 0.000 0.188 1055 N C 0.269 175.774 175.510 -0.008 0.000 1.146 1055 N CA 0.036 53.088 53.050 0.002 0.000 0.893 1055 N CB 0.233 38.728 38.487 0.012 0.000 0.975 1055 N HN 0.271 nan 8.380 nan 0.000 0.451 1056 A N 0.194 123.000 122.820 -0.024 0.000 2.387 1056 A HA 0.490 4.811 4.320 0.002 0.000 0.303 1056 A C -1.331 176.224 177.584 -0.048 0.000 1.145 1056 A CA -0.572 51.444 52.037 -0.035 0.000 0.801 1056 A CB 1.347 20.318 19.000 -0.048 0.000 1.342 1056 A HN 0.047 nan 8.150 nan 0.000 0.440 1057 D N 0.176 120.543 120.400 -0.055 0.000 2.389 1057 D HA 0.512 5.153 4.640 0.002 0.000 0.256 1057 D C 0.790 177.035 176.300 -0.093 0.000 1.239 1057 D CA 0.227 54.183 54.000 -0.074 0.000 0.925 1057 D CB 1.151 41.914 40.800 -0.063 0.000 1.145 1057 D HN 0.550 nan 8.370 nan 0.000 0.542 1058 A N 2.554 125.303 122.820 -0.119 0.000 2.139 1058 A HA -0.151 4.170 4.320 0.002 0.000 0.221 1058 A C 1.840 179.338 177.584 -0.144 0.000 1.159 1058 A CA 2.151 54.108 52.037 -0.133 0.000 0.662 1058 A CB -0.554 18.348 19.000 -0.163 0.000 0.796 1058 A HN 0.599 nan 8.150 nan 0.000 0.463 1059 T N -3.922 110.536 114.554 -0.160 0.000 3.022 1059 T HA 0.121 4.472 4.350 0.002 0.000 0.250 1059 T C 1.487 176.116 174.700 -0.118 0.000 1.060 1059 T CA 0.763 62.762 62.100 -0.168 0.000 1.013 1059 T CB 0.008 68.738 68.868 -0.229 0.000 0.982 1059 T HN 0.555 nan 8.240 nan 0.000 0.508 1060 E N 1.669 121.814 120.200 -0.092 0.000 2.033 1060 E HA -0.151 4.200 4.350 0.002 0.000 0.199 1060 E C 0.763 177.334 176.600 -0.049 0.000 1.011 1060 E CA 0.982 57.344 56.400 -0.062 0.000 0.815 1060 E CB 0.128 29.801 29.700 -0.045 0.000 0.755 1060 E HN 0.553 nan 8.360 nan 0.000 0.451 1061 K N -0.226 120.148 120.400 -0.044 0.000 2.469 1061 K HA 0.349 4.670 4.320 0.002 0.000 0.254 1061 K C -1.278 175.310 176.600 -0.020 0.000 0.939 1061 K CA -0.630 55.641 56.287 -0.026 0.000 0.812 1061 K CB 2.297 34.790 32.500 -0.011 0.000 1.301 1061 K HN 0.037 nan 8.250 nan 0.000 0.433 1062 V N 1.356 121.274 119.914 0.008 0.000 2.823 1062 V HA 0.739 4.860 4.120 0.002 0.000 0.312 1062 V C -0.688 175.490 176.094 0.140 0.000 1.072 1062 V CA -0.888 61.456 62.300 0.074 0.000 0.937 1062 V CB 1.584 33.441 31.823 0.056 0.000 1.013 1062 V HN 0.876 nan 8.190 nan 0.000 0.430 1063 I N 3.156 123.795 120.570 0.115 0.000 2.769 1063 I HA 0.727 4.898 4.170 0.002 0.000 0.298 1063 I C 0.146 176.038 176.117 -0.375 0.000 1.128 1063 I CA -0.261 61.007 61.300 -0.053 0.000 1.031 1063 I CB 2.582 40.503 38.000 -0.133 0.000 1.235 1063 I HN 1.096 nan 8.210 nan 0.000 0.423 1064 S N 4.583 119.901 115.700 -0.637 0.000 2.672 1064 S HA 0.330 4.801 4.470 0.002 0.000 0.276 1064 S C 0.897 175.167 174.600 -0.551 0.000 1.207 1064 S CA -0.659 56.971 58.200 -0.948 0.000 1.002 1064 S CB 1.798 64.425 63.200 -0.954 0.000 0.998 1064 S HN 0.494 nan 8.310 nan 0.000 0.542 1065 V N 1.758 121.363 119.914 -0.515 0.000 2.490 1065 V HA -0.167 3.954 4.120 0.002 0.000 0.250 1065 V C 2.664 178.424 176.094 -0.558 0.000 1.061 1065 V CA 1.980 63.955 62.300 -0.542 0.000 1.064 1065 V CB -1.367 30.182 31.823 -0.458 0.000 0.670 1065 V HN 0.821 nan 8.190 nan 0.000 0.461 1066 Q N 0.183 119.775 119.800 -0.347 0.000 2.050 1066 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 1066 Q C 2.245 178.159 176.000 -0.143 0.000 0.980 1066 Q CA 1.862 57.550 55.803 -0.192 0.000 0.840 1066 Q CB -0.303 28.356 28.738 -0.131 0.000 0.898 1066 Q HN 0.682 nan 8.270 nan 0.000 0.424 1067 E N -0.083 120.005 120.200 -0.185 0.000 2.051 1067 E HA -0.191 4.160 4.350 0.002 0.000 0.192 1067 E C 1.994 178.535 176.600 -0.098 0.000 0.991 1067 E CA 1.249 57.574 56.400 -0.125 0.000 0.799 1067 E CB -0.131 29.480 29.700 -0.147 0.000 0.748 1067 E HN 0.331 nan 8.360 nan 0.000 0.449 1068 M N -0.162 119.315 119.600 -0.205 0.000 2.073 1068 M HA -0.234 4.247 4.480 0.002 0.000 0.258 1068 M C 2.075 178.476 176.300 0.168 0.000 1.070 1068 M CA 1.802 57.002 55.300 -0.167 0.000 1.103 1068 M CB -0.507 31.850 32.600 -0.405 0.000 1.321 1068 M HN 0.273 nan 8.290 nan 0.000 0.405 1069 H N -0.983 118.095 119.070 0.013 0.000 2.421 1069 H HA -0.040 4.517 4.556 0.002 0.000 0.298 1069 H C 2.051 177.401 175.328 0.037 0.000 1.087 1069 H CA 0.671 56.746 56.048 0.045 0.000 1.330 1069 H CB -0.064 29.706 29.762 0.014 0.000 1.388 1069 H HN 0.479 nan 8.280 nan 0.000 0.526 1070 A N 0.916 123.813 122.820 0.128 0.000 2.119 1070 A HA -0.132 4.189 4.320 0.002 0.000 0.217 1070 A C 2.045 179.676 177.584 0.078 0.000 1.153 1070 A CA 0.841 52.925 52.037 0.078 0.000 0.692 1070 A CB -0.129 18.895 19.000 0.040 0.000 0.799 1070 A HN 0.446 nan 8.150 nan 0.000 0.458 1071 Q N -0.330 119.539 119.800 0.114 0.000 2.435 1071 Q HA 0.109 4.449 4.340 0.002 0.000 0.207 1071 Q C -0.068 175.983 176.000 0.085 0.000 0.956 1071 Q CA 0.152 56.023 55.803 0.113 0.000 0.917 1071 Q CB -0.027 28.821 28.738 0.183 0.000 0.997 1071 Q HN 0.599 nan 8.270 nan 0.000 0.497 1072 I N 2.002 122.624 120.570 0.085 0.000 2.441 1072 I HA 0.073 4.244 4.170 0.002 0.000 0.287 1072 I C 0.307 176.425 176.117 0.001 0.000 1.049 1072 I CA -0.194 61.117 61.300 0.018 0.000 1.381 1072 I CB 0.644 38.647 38.000 0.005 0.000 1.409 1072 I HN -0.121 nan 8.210 nan 0.000 0.523 1073 K N 0.000 120.388 120.400 -0.019 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1073 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 1073 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543