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_C DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.259 176.300 -0.069 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.037 0.000 1.302 2 P HA 0.277 nan 4.420 nan 0.000 0.342 2 P C -1.086 175.872 177.300 -0.570 0.000 1.397 2 P CA -0.319 62.628 63.100 -0.255 0.000 0.838 2 P CB -0.014 31.615 31.700 -0.119 0.000 2.030 3 K N -0.004 119.982 120.400 -0.690 0.000 2.237 3 K HA 0.273 4.593 4.320 0.001 0.000 0.270 3 K C 0.141 176.648 176.600 -0.157 0.000 1.015 3 K CA -0.404 55.557 56.287 -0.543 0.000 0.949 3 K CB 0.582 32.929 32.500 -0.254 0.000 0.976 3 K HN 0.123 nan 8.250 nan 0.000 0.472 4 R N 0.797 121.277 120.500 -0.033 0.000 2.491 4 R HA 0.004 4.345 4.340 0.001 0.000 0.283 4 R C 0.637 176.993 176.300 0.093 0.000 1.072 4 R CA 0.408 56.522 56.100 0.025 0.000 1.048 4 R CB 0.608 30.928 30.300 0.032 0.000 0.983 4 R HN 0.941 nan 8.270 nan 0.000 0.450 5 T N -2.827 111.754 114.554 0.046 0.000 3.001 5 T HA -0.025 4.326 4.350 0.001 0.000 0.251 5 T C 0.692 175.422 174.700 0.049 0.000 1.040 5 T CA -0.082 62.043 62.100 0.041 0.000 0.985 5 T CB 0.150 69.022 68.868 0.007 0.000 1.011 5 T HN 0.630 nan 8.240 nan 0.000 0.509 6 D N 1.204 121.635 120.400 0.051 0.000 2.319 6 D HA 0.184 4.825 4.640 0.001 0.000 0.230 6 D C 0.239 176.579 176.300 0.068 0.000 1.094 6 D CA -0.302 53.725 54.000 0.046 0.000 0.856 6 D CB -0.189 40.630 40.800 0.032 0.000 0.915 6 D HN 0.455 nan 8.370 nan 0.000 0.517 7 I N -0.224 120.413 120.570 0.111 0.000 2.569 7 I HA 0.257 4.427 4.170 0.001 0.000 0.290 7 I C 0.519 176.789 176.117 0.255 0.000 1.088 7 I CA -0.650 60.742 61.300 0.153 0.000 1.047 7 I CB 2.405 40.483 38.000 0.131 0.000 1.237 7 I HN -0.316 nan 8.210 nan 0.000 0.421 8 K N 2.169 122.694 120.400 0.207 0.000 2.511 8 K HA 0.176 4.497 4.320 0.001 0.000 0.206 8 K C 0.202 176.948 176.600 0.242 0.000 1.333 8 K CA 0.114 56.518 56.287 0.195 0.000 0.957 8 K CB 0.942 33.488 32.500 0.077 0.000 1.172 8 K HN 0.604 nan 8.250 nan 0.000 0.547 9 S N 1.079 116.885 115.700 0.177 0.000 2.502 9 S HA 0.666 5.136 4.470 0.001 0.000 0.304 9 S C -0.510 174.147 174.600 0.096 0.000 1.097 9 S CA -0.835 57.445 58.200 0.133 0.000 1.045 9 S CB 0.985 64.238 63.200 0.088 0.000 1.019 9 S HN 0.108 nan 8.310 nan 0.000 0.481 10 I N 3.077 123.693 120.570 0.076 0.000 2.498 10 I HA 0.433 4.603 4.170 0.001 0.000 0.290 10 I C -1.054 175.081 176.117 0.030 0.000 1.032 10 I CA -0.946 60.368 61.300 0.023 0.000 1.073 10 I CB 2.010 39.985 38.000 -0.042 0.000 1.251 10 I HN 0.608 nan 8.210 nan 0.000 0.426 11 L N 7.670 128.905 121.223 0.020 0.000 2.275 11 L HA 0.596 4.937 4.340 0.001 0.000 0.288 11 L C -0.784 176.094 176.870 0.013 0.000 1.046 11 L CA 0.103 54.956 54.840 0.022 0.000 0.805 11 L CB 0.696 42.761 42.059 0.010 0.000 1.193 11 L HN 0.414 nan 8.230 nan 0.000 0.426 12 I N 6.243 126.825 120.570 0.020 0.000 2.354 12 I HA 0.273 4.444 4.170 0.001 0.000 0.292 12 I C -0.555 175.569 176.117 0.012 0.000 0.989 12 I CA -0.653 60.654 61.300 0.012 0.000 1.188 12 I CB 1.451 39.459 38.000 0.013 0.000 1.342 12 I HN 0.479 nan 8.210 nan 0.000 0.457 13 L N 6.195 127.417 121.223 -0.002 0.000 2.278 13 L HA 0.373 4.714 4.340 0.001 0.000 0.287 13 L C 1.016 177.874 176.870 -0.019 0.000 1.072 13 L CA -0.233 54.602 54.840 -0.010 0.000 0.819 13 L CB 0.626 42.672 42.059 -0.020 0.000 1.176 13 L HN 0.694 nan 8.230 nan 0.000 0.435 14 G N 1.737 110.534 108.800 -0.005 0.000 2.616 14 G HA2 0.372 4.333 3.960 0.001 0.000 0.268 14 G HA3 0.372 4.333 3.960 0.001 0.000 0.268 14 G C 0.773 175.652 174.900 -0.036 0.000 1.213 14 G CA 0.153 45.253 45.100 -0.000 0.000 0.926 14 G HN 0.765 nan 8.290 nan 0.000 0.523 15 A N -1.109 121.697 122.820 -0.024 0.000 2.081 15 A HA 0.552 4.873 4.320 0.001 0.000 0.214 15 A C 1.614 179.186 177.584 -0.020 0.000 1.158 15 A CA 1.563 53.557 52.037 -0.072 0.000 0.724 15 A CB -0.832 18.141 19.000 -0.045 0.000 0.826 15 A HN 2.536 nan 8.150 nan 0.000 0.463 16 G N -0.859 107.947 108.800 0.010 0.000 2.615 16 G HA2 -0.082 3.878 3.960 0.001 0.000 0.218 16 G HA3 -0.082 3.878 3.960 0.001 0.000 0.218 16 G C -3.019 171.892 174.900 0.020 0.000 1.339 16 G CA -0.411 44.694 45.100 0.007 0.000 0.884 16 G HN 0.366 nan 8.290 nan 0.000 0.559 17 P HA 0.415 nan 4.420 nan 0.000 0.269 17 P C 0.296 177.606 177.300 0.017 0.000 1.215 17 P CA -0.321 62.779 63.100 -0.000 0.000 0.780 17 P CB 0.352 32.039 31.700 -0.023 0.000 0.898 18 I N 2.334 122.913 120.570 0.016 0.000 2.556 18 I HA 0.109 4.280 4.170 0.001 0.000 0.284 18 I C 0.884 177.002 176.117 0.001 0.000 1.114 18 I CA -0.056 61.260 61.300 0.026 0.000 1.418 18 I CB -0.065 37.944 38.000 0.016 0.000 1.394 18 I HN 0.195 nan 8.210 nan 0.000 0.552 19 V N 4.798 124.716 119.914 0.005 0.000 3.160 19 V HA 0.569 4.690 4.120 0.001 0.000 0.310 19 V C -0.029 176.045 176.094 -0.034 0.000 1.181 19 V CA -1.211 61.074 62.300 -0.026 0.000 1.047 19 V CB 2.051 33.853 31.823 -0.035 0.000 1.068 19 V HN 0.442 nan 8.190 nan 0.000 0.441 20 I N 2.286 122.813 120.570 -0.072 0.000 2.668 20 I HA 0.428 4.599 4.170 0.001 0.000 0.285 20 I C 1.527 177.593 176.117 -0.085 0.000 1.168 20 I CA 1.986 63.232 61.300 -0.090 0.000 1.424 20 I CB 0.574 38.488 38.000 -0.144 0.000 1.377 20 I HN 1.257 nan 8.210 nan 0.000 0.560 21 G N 4.813 113.572 108.800 -0.069 0.000 2.258 21 G HA2 -0.284 3.676 3.960 0.001 0.000 0.233 21 G HA3 -0.284 3.676 3.960 0.001 0.000 0.233 21 G C 0.329 175.260 174.900 0.051 0.000 1.006 21 G CA 0.026 45.093 45.100 -0.055 0.000 0.620 21 G HN 0.582 nan 8.290 nan 0.000 0.511 22 Q N 0.369 120.222 119.800 0.088 0.000 3.255 22 Q HA 0.687 5.027 4.340 0.001 0.000 0.231 22 Q C 0.117 176.242 176.000 0.207 0.000 0.935 22 Q CA 0.379 56.338 55.803 0.261 0.000 0.714 22 Q CB 0.759 29.618 28.738 0.202 0.000 1.345 22 Q HN 0.885 nan 8.270 nan 0.000 0.463 23 A N 0.215 123.098 122.820 0.106 0.000 3.521 23 A HA 0.378 4.699 4.320 0.001 0.000 0.181 23 A C 1.102 178.673 177.584 -0.023 0.000 1.386 23 A CA -0.268 51.784 52.037 0.025 0.000 0.873 23 A CB -0.241 18.739 19.000 -0.032 0.000 1.634 23 A HN 0.818 nan 8.150 nan 0.000 0.551 24 C N 1.116 120.393 119.300 -0.038 0.000 2.398 24 C HA -0.129 4.331 4.460 0.001 0.000 0.282 24 C C 2.473 177.430 174.990 -0.056 0.000 1.275 24 C CA 1.168 60.176 59.018 -0.017 0.000 1.797 24 C CB -1.527 26.210 27.740 -0.005 0.000 1.991 24 C HN 0.867 nan 8.230 nan 0.000 0.505 25 E N 1.285 121.343 120.200 -0.236 0.000 2.273 25 E HA -0.228 4.122 4.350 0.001 0.000 0.198 25 E C 1.391 177.818 176.600 -0.287 0.000 1.002 25 E CA 1.601 57.817 56.400 -0.305 0.000 0.828 25 E CB -0.643 28.748 29.700 -0.514 0.000 0.747 25 E HN 0.639 nan 8.360 nan 0.000 0.491 26 F N 1.510 121.526 119.950 0.111 0.000 2.512 26 F HA 0.076 4.604 4.527 0.001 0.000 0.296 26 F C 2.064 177.906 175.800 0.070 0.000 1.110 26 F CA 0.698 58.745 58.000 0.078 0.000 1.446 26 F CB -0.344 38.684 39.000 0.047 0.000 1.092 26 F HN 0.032 nan 8.300 nan 0.000 0.554 27 D N -0.782 119.744 120.400 0.210 0.000 2.162 27 D HA -0.224 4.417 4.640 0.001 0.000 0.203 27 D C 2.182 178.571 176.300 0.148 0.000 0.967 27 D CA 0.981 55.079 54.000 0.162 0.000 0.840 27 D CB -0.316 40.570 40.800 0.144 0.000 0.972 27 D HN 0.269 nan 8.370 nan 0.000 0.482 28 Y N 1.067 121.385 120.300 0.031 0.000 2.114 28 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 28 Y C 2.367 178.284 175.900 0.028 0.000 1.143 28 Y CA 2.178 60.283 58.100 0.008 0.000 1.135 28 Y CB -0.661 37.785 38.460 -0.024 0.000 0.980 28 Y HN -0.082 nan 8.280 nan 0.000 0.499 29 S N 0.168 115.746 115.700 -0.203 0.000 2.355 29 S HA -0.114 4.357 4.470 0.001 0.000 0.222 29 S C 2.234 176.772 174.600 -0.104 0.000 1.031 29 S CA 1.187 59.257 58.200 -0.218 0.000 0.993 29 S CB -1.156 62.089 63.200 0.075 0.000 0.859 29 S HN 0.730 nan 8.310 nan 0.000 0.453 30 G N 1.349 110.158 108.800 0.015 0.000 2.418 30 G HA2 -0.046 3.915 3.960 0.001 0.000 0.217 30 G HA3 -0.046 3.915 3.960 0.001 0.000 0.217 30 G C 1.565 176.456 174.900 -0.015 0.000 1.158 30 G CA 0.894 46.008 45.100 0.023 0.000 0.771 30 G HN 0.567 nan 8.290 nan 0.000 0.545 31 A N 0.351 123.155 122.820 -0.027 0.000 1.908 31 A HA -0.108 4.213 4.320 0.001 0.000 0.218 31 A C 2.336 179.869 177.584 -0.084 0.000 1.181 31 A CA 1.952 53.969 52.037 -0.033 0.000 0.627 31 A CB -0.426 18.566 19.000 -0.012 0.000 0.818 31 A HN 0.452 nan 8.150 nan 0.000 0.445 32 Q N -0.852 118.840 119.800 -0.180 0.000 2.046 32 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 32 Q C 2.515 178.454 176.000 -0.102 0.000 0.975 32 Q CA 1.232 56.923 55.803 -0.186 0.000 0.836 32 Q CB -0.386 28.157 28.738 -0.326 0.000 0.896 32 Q HN 0.679 nan 8.270 nan 0.000 0.428 33 A N 0.644 123.416 122.820 -0.081 0.000 1.892 33 A HA -0.245 4.076 4.320 0.001 0.000 0.218 33 A C 2.405 179.978 177.584 -0.017 0.000 1.188 33 A CA 1.614 53.629 52.037 -0.037 0.000 0.631 33 A CB -1.158 17.829 19.000 -0.021 0.000 0.822 33 A HN 0.509 nan 8.150 nan 0.000 0.447 34 C N -0.796 118.498 119.300 -0.011 0.000 2.413 34 C HA -0.119 4.342 4.460 0.001 0.000 0.277 34 C C 2.745 177.744 174.990 0.015 0.000 1.228 34 C CA 1.476 60.499 59.018 0.009 0.000 1.731 34 C CB -1.058 26.691 27.740 0.014 0.000 2.042 34 C HN 0.758 nan 8.230 nan 0.000 0.468 35 K N 1.002 121.400 120.400 -0.002 0.000 2.063 35 K HA -0.155 4.165 4.320 0.001 0.000 0.208 35 K C 2.090 178.697 176.600 0.012 0.000 1.048 35 K CA 1.689 57.976 56.287 0.000 0.000 0.928 35 K CB -0.304 32.183 32.500 -0.023 0.000 0.713 35 K HN 0.424 nan 8.250 nan 0.000 0.442 36 A N 1.167 123.987 122.820 0.001 0.000 1.898 36 A HA -0.096 4.225 4.320 0.001 0.000 0.216 36 A C 2.097 179.717 177.584 0.061 0.000 1.181 36 A CA 1.315 53.357 52.037 0.008 0.000 0.620 36 A CB -0.531 18.460 19.000 -0.015 0.000 0.819 36 A HN 0.322 nan 8.150 nan 0.000 0.442 37 L N -1.352 119.913 121.223 0.071 0.000 2.156 37 L HA -0.066 4.274 4.340 0.001 0.000 0.208 37 L C 2.731 179.744 176.870 0.239 0.000 1.095 37 L CA 1.258 56.187 54.840 0.148 0.000 0.770 37 L CB -0.496 41.583 42.059 0.033 0.000 0.914 37 L HN 0.405 nan 8.230 nan 0.000 0.439 38 R N 0.779 121.357 120.500 0.131 0.000 2.073 38 R HA -0.194 4.147 4.340 0.001 0.000 0.234 38 R C 2.133 178.487 176.300 0.089 0.000 1.134 38 R CA 1.657 57.819 56.100 0.103 0.000 0.952 38 R CB -0.106 30.229 30.300 0.058 0.000 0.850 38 R HN 0.360 nan 8.270 nan 0.000 0.433 39 E N -0.043 120.201 120.200 0.073 0.000 2.130 39 E HA -0.177 4.174 4.350 0.001 0.000 0.196 39 E C 0.919 177.560 176.600 0.068 0.000 0.998 39 E CA 1.186 57.617 56.400 0.051 0.000 0.806 39 E CB 0.156 29.873 29.700 0.029 0.000 0.738 39 E HN 0.331 nan 8.360 nan 0.000 0.459 40 E N -0.708 119.577 120.200 0.142 0.000 2.403 40 E HA 0.071 4.422 4.350 0.001 0.000 0.188 40 E C 0.666 177.275 176.600 0.015 0.000 1.056 40 E CA 0.484 56.998 56.400 0.190 0.000 0.892 40 E CB 0.697 30.663 29.700 0.442 0.000 1.049 40 E HN 0.355 nan 8.360 nan 0.000 0.465 41 G N 1.369 110.156 108.800 -0.021 0.000 2.221 41 G HA2 -0.311 3.650 3.960 0.001 0.000 0.265 41 G HA3 -0.311 3.650 3.960 0.001 0.000 0.265 41 G C -0.226 174.498 174.900 -0.294 0.000 1.041 41 G CA 0.281 45.292 45.100 -0.148 0.000 0.807 41 G HN 0.243 nan 8.290 nan 0.000 0.502 42 Y N -0.971 119.355 120.300 0.042 0.000 2.432 42 Y HA 0.637 5.188 4.550 0.001 0.000 0.322 42 Y C 1.129 177.046 175.900 0.030 0.000 1.246 42 Y CA -0.950 57.172 58.100 0.038 0.000 1.268 42 Y CB 0.874 39.361 38.460 0.045 0.000 1.276 42 Y HN 0.128 nan 8.280 nan 0.000 0.499 43 R N 1.315 121.938 120.500 0.206 0.000 2.207 43 R HA 0.532 4.872 4.340 0.001 0.000 0.334 43 R C -1.836 174.539 176.300 0.125 0.000 1.013 43 R CA -0.423 55.750 56.100 0.122 0.000 0.858 43 R CB 0.416 30.767 30.300 0.085 0.000 1.094 43 R HN 0.513 nan 8.270 nan 0.000 0.457 44 V N 6.815 126.786 119.914 0.095 0.000 2.370 44 V HA 0.413 4.533 4.120 0.001 0.000 0.283 44 V C -0.093 176.038 176.094 0.060 0.000 1.023 44 V CA -0.727 61.618 62.300 0.076 0.000 0.857 44 V CB 1.366 33.230 31.823 0.068 0.000 0.985 44 V HN 0.618 nan 8.190 nan 0.000 0.443 45 I N 6.670 127.281 120.570 0.068 0.000 2.436 45 I HA 0.611 4.782 4.170 0.001 0.000 0.289 45 I C -0.637 175.531 176.117 0.085 0.000 1.010 45 I CA -0.516 60.839 61.300 0.092 0.000 1.098 45 I CB 1.808 39.874 38.000 0.110 0.000 1.266 45 I HN 0.474 nan 8.210 nan 0.000 0.434 46 L N 6.103 127.388 121.223 0.104 0.000 2.445 46 L HA 0.795 5.136 4.340 0.001 0.000 0.262 46 L C -1.480 175.465 176.870 0.125 0.000 0.974 46 L CA -0.872 54.019 54.840 0.085 0.000 0.822 46 L CB 1.672 43.761 42.059 0.051 0.000 1.339 46 L HN 0.458 nan 8.230 nan 0.000 0.409 47 V N 3.560 123.528 119.914 0.090 0.000 2.555 47 V HA 0.766 4.886 4.120 0.001 0.000 0.302 47 V C -1.118 175.008 176.094 0.052 0.000 1.038 47 V CA -0.064 62.292 62.300 0.093 0.000 0.887 47 V CB 1.553 33.406 31.823 0.050 0.000 0.991 47 V HN 1.022 nan 8.190 nan 0.000 0.434 48 N N 3.145 121.875 118.700 0.050 0.000 2.839 48 N HA 0.150 4.890 4.740 0.001 0.000 0.258 48 N C 0.395 175.919 175.510 0.024 0.000 1.150 48 N CA 0.297 53.366 53.050 0.032 0.000 0.957 48 N CB 2.032 40.542 38.487 0.039 0.000 1.560 48 N HN 0.692 nan 8.380 nan 0.000 0.588 49 S N 1.577 117.284 115.700 0.012 0.000 2.507 49 S HA -0.054 4.417 4.470 0.001 0.000 0.235 49 S C 0.744 175.343 174.600 -0.002 0.000 0.988 49 S CA 0.291 58.491 58.200 -0.001 0.000 0.944 49 S CB -0.218 62.974 63.200 -0.014 0.000 0.762 49 S HN 0.558 nan 8.310 nan 0.000 0.526 50 N N 3.173 121.876 118.700 0.005 0.000 2.415 50 N HA 0.269 5.010 4.740 0.001 0.000 0.246 50 N C -1.747 173.761 175.510 -0.004 0.000 1.078 50 N CA -2.446 50.603 53.050 -0.001 0.000 0.942 50 N CB 1.367 39.862 38.487 0.014 0.000 1.140 50 N HN 0.025 nan 8.380 nan 0.000 0.501 51 P HA -0.051 nan 4.420 nan 0.000 0.219 51 P C 0.241 177.459 177.300 -0.137 0.000 1.150 51 P CA 0.770 63.850 63.100 -0.033 0.000 0.814 51 P CB 0.050 31.771 31.700 0.034 0.000 0.787 52 A N 0.385 123.094 122.820 -0.186 0.000 2.604 52 A HA 0.224 4.545 4.320 0.001 0.000 0.248 52 A C 0.475 178.005 177.584 -0.089 0.000 1.466 52 A CA 0.195 52.022 52.037 -0.350 0.000 1.222 52 A CB -1.635 17.194 19.000 -0.285 0.000 0.945 52 A HN 0.312 nan 8.150 nan 0.000 0.600 53 T N -3.004 111.575 114.554 0.042 0.000 2.829 53 T HA 0.523 4.874 4.350 0.001 0.000 0.280 53 T C 0.783 175.668 174.700 0.309 0.000 0.999 53 T CA -0.723 61.484 62.100 0.178 0.000 0.983 53 T CB 1.095 70.031 68.868 0.112 0.000 0.968 53 T HN -0.035 nan 8.240 nan 0.000 0.446 54 I N 2.398 123.126 120.570 0.263 0.000 2.614 54 I HA -0.084 4.087 4.170 0.001 0.000 0.258 54 I C 2.364 178.569 176.117 0.148 0.000 1.189 54 I CA 1.173 62.588 61.300 0.192 0.000 1.462 54 I CB -1.060 36.994 38.000 0.091 0.000 1.092 54 I HN 0.867 nan 8.210 nan 0.000 0.442 55 M N 0.452 120.126 119.600 0.123 0.000 2.460 55 M HA -0.118 4.362 4.480 0.001 0.000 0.263 55 M C 1.529 177.875 176.300 0.077 0.000 1.071 55 M CA 1.938 57.288 55.300 0.084 0.000 1.096 55 M CB -0.634 32.009 32.600 0.071 0.000 1.408 55 M HN 0.254 nan 8.290 nan 0.000 0.463 56 T N -2.799 111.814 114.554 0.099 0.000 3.122 56 T HA 0.175 4.526 4.350 0.001 0.000 0.250 56 T C -0.115 174.637 174.700 0.087 0.000 1.067 56 T CA -0.518 61.623 62.100 0.068 0.000 0.966 56 T CB -0.477 68.421 68.868 0.051 0.000 1.002 56 T HN 0.233 nan 8.240 nan 0.000 0.542 57 D N 3.968 124.449 120.400 0.134 0.000 2.458 57 D HA 0.154 4.795 4.640 0.001 0.000 0.243 57 D C -1.187 175.161 176.300 0.080 0.000 1.146 57 D CA -1.968 52.124 54.000 0.153 0.000 0.877 57 D CB 1.548 42.453 40.800 0.176 0.000 1.176 57 D HN 0.111 nan 8.370 nan 0.000 0.461 58 P HA -0.228 nan 4.420 nan 0.000 0.216 58 P C 1.077 178.391 177.300 0.023 0.000 1.157 58 P CA 1.383 64.503 63.100 0.033 0.000 0.880 58 P CB 0.075 31.835 31.700 0.100 0.000 0.791 59 E N -0.966 119.255 120.200 0.035 0.000 2.472 59 E HA -0.121 4.230 4.350 0.001 0.000 0.200 59 E C 1.438 178.046 176.600 0.013 0.000 1.046 59 E CA 0.862 57.273 56.400 0.017 0.000 0.871 59 E CB -0.613 29.091 29.700 0.006 0.000 0.806 59 E HN 0.189 nan 8.360 nan 0.000 0.533 60 M N 0.568 120.180 119.600 0.020 0.000 2.514 60 M HA 0.280 4.761 4.480 0.001 0.000 0.258 60 M C 0.945 177.256 176.300 0.018 0.000 1.119 60 M CA 0.353 55.665 55.300 0.019 0.000 1.111 60 M CB 0.112 32.730 32.600 0.030 0.000 1.390 60 M HN 0.200 nan 8.290 nan 0.000 0.475 61 A N -0.751 122.076 122.820 0.012 0.000 2.567 61 A HA 0.508 4.828 4.320 0.001 0.000 0.289 61 A C 0.007 177.591 177.584 -0.000 0.000 1.177 61 A CA -0.638 51.406 52.037 0.012 0.000 0.694 61 A CB 0.707 19.714 19.000 0.011 0.000 1.292 61 A HN 0.140 nan 8.150 nan 0.000 0.425 62 D N 0.022 120.425 120.400 0.006 0.000 2.146 62 D HA 0.249 4.890 4.640 0.001 0.000 0.209 62 D C 0.810 177.088 176.300 -0.037 0.000 0.973 62 D CA 1.824 55.823 54.000 -0.002 0.000 0.860 62 D CB 0.067 40.880 40.800 0.022 0.000 1.015 62 D HN 0.683 nan 8.370 nan 0.000 0.465 63 A N 1.048 123.847 122.820 -0.035 0.000 2.323 63 A HA 0.499 4.820 4.320 0.001 0.000 0.305 63 A C -0.559 176.923 177.584 -0.171 0.000 1.275 63 A CA -0.436 51.533 52.037 -0.113 0.000 0.804 63 A CB 0.913 19.925 19.000 0.020 0.000 1.152 63 A HN -0.100 nan 8.150 nan 0.000 0.487 64 T N 2.793 117.157 114.554 -0.317 0.000 2.756 64 T HA 0.464 4.814 4.350 0.001 0.000 0.290 64 T C -1.129 173.301 174.700 -0.450 0.000 0.985 64 T CA 0.244 62.194 62.100 -0.251 0.000 0.955 64 T CB 0.037 68.813 68.868 -0.153 0.000 0.930 64 T HN 0.401 nan 8.240 nan 0.000 0.451 65 Y N 2.764 123.031 120.300 -0.056 0.000 2.417 65 Y HA 0.439 4.990 4.550 0.001 0.000 0.336 65 Y C 0.569 176.432 175.900 -0.061 0.000 0.961 65 Y CA -1.042 57.017 58.100 -0.069 0.000 1.215 65 Y CB 0.555 38.977 38.460 -0.064 0.000 1.120 65 Y HN 0.568 nan 8.280 nan 0.000 0.499 66 I N 4.756 125.344 120.570 0.031 0.000 2.206 66 I HA 0.176 4.346 4.170 0.001 0.000 0.292 66 I C -0.204 175.923 176.117 0.016 0.000 1.156 66 I CA 0.095 61.399 61.300 0.007 0.000 1.356 66 I CB -0.193 37.785 38.000 -0.037 0.000 1.494 66 I HN 0.538 nan 8.210 nan 0.000 0.601 67 E N 5.215 125.439 120.200 0.040 0.000 2.369 67 E HA 0.451 4.801 4.350 0.001 0.000 0.270 67 E C -2.537 174.056 176.600 -0.012 0.000 0.909 67 E CA -2.060 54.346 56.400 0.009 0.000 0.775 67 E CB 2.110 31.824 29.700 0.023 0.000 1.270 67 E HN 0.010 nan 8.360 nan 0.000 0.445 68 P HA 0.063 nan 4.420 nan 0.000 0.262 68 P C 0.172 177.471 177.300 -0.001 0.000 1.182 68 P CA 0.430 63.513 63.100 -0.029 0.000 0.761 68 P CB 0.186 31.854 31.700 -0.053 0.000 0.795 69 I N 3.599 124.175 120.570 0.010 0.000 2.280 69 I HA 0.043 4.214 4.170 0.001 0.000 0.287 69 I C 1.158 177.301 176.117 0.043 0.000 1.121 69 I CA 0.201 61.511 61.300 0.016 0.000 1.798 69 I CB -0.976 37.024 38.000 -0.001 0.000 1.489 69 I HN 0.384 nan 8.210 nan 0.000 0.805 70 H N 4.935 123.975 119.070 -0.050 0.000 2.492 70 H HA 0.062 4.619 4.556 0.001 0.000 0.345 70 H C 0.625 175.925 175.328 -0.047 0.000 1.136 70 H CA -0.809 55.208 56.048 -0.052 0.000 1.202 70 H CB 1.540 31.220 29.762 -0.137 0.000 1.524 70 H HN 0.552 nan 8.280 nan 0.000 0.506 71 W N 4.740 125.880 121.300 -0.266 0.000 2.325 71 W HA -0.153 4.508 4.660 0.001 0.000 0.299 71 W C 0.608 177.177 176.519 0.083 0.000 1.215 71 W CA 1.052 58.346 57.345 -0.086 0.000 1.244 71 W CB -0.480 28.897 29.460 -0.137 0.000 1.140 71 W HN 0.648 nan 8.180 nan 0.000 0.523 72 E N 0.971 120.848 120.200 -0.538 0.000 2.047 72 E HA -0.166 4.184 4.350 0.001 0.000 0.191 72 E C 2.430 178.862 176.600 -0.279 0.000 0.987 72 E CA 1.823 57.823 56.400 -0.667 0.000 0.799 72 E CB -0.386 28.819 29.700 -0.825 0.000 0.752 72 E HN 0.086 nan 8.360 nan 0.000 0.449 73 V N 0.975 120.787 119.914 -0.169 0.000 2.407 73 V HA -0.218 3.903 4.120 0.001 0.000 0.248 73 V C 2.280 178.280 176.094 -0.156 0.000 1.055 73 V CA 1.248 63.455 62.300 -0.156 0.000 1.049 73 V CB -0.212 31.544 31.823 -0.113 0.000 0.662 73 V HN 0.139 nan 8.190 nan 0.000 0.455 74 V N -0.202 119.657 119.914 -0.091 0.000 2.427 74 V HA -0.239 3.882 4.120 0.001 0.000 0.248 74 V C 2.532 178.555 176.094 -0.120 0.000 1.051 74 V CA 2.183 64.427 62.300 -0.093 0.000 1.048 74 V CB -0.799 31.016 31.823 -0.013 0.000 0.666 74 V HN 0.481 nan 8.190 nan 0.000 0.456 75 R N 0.247 120.712 120.500 -0.060 0.000 2.091 75 R HA -0.189 4.151 4.340 0.001 0.000 0.238 75 R C 2.416 178.582 176.300 -0.223 0.000 1.136 75 R CA 1.431 57.491 56.100 -0.067 0.000 0.959 75 R CB -0.100 30.239 30.300 0.065 0.000 0.856 75 R HN 0.360 nan 8.270 nan 0.000 0.437 76 K N 0.515 120.786 120.400 -0.214 0.000 2.057 76 K HA -0.134 4.187 4.320 0.001 0.000 0.207 76 K C 2.114 178.517 176.600 -0.328 0.000 1.049 76 K CA 1.274 57.415 56.287 -0.244 0.000 0.931 76 K CB -0.358 32.020 32.500 -0.204 0.000 0.714 76 K HN 0.332 nan 8.250 nan 0.000 0.440 77 I N 0.771 121.108 120.570 -0.390 0.000 2.286 77 I HA -0.239 3.932 4.170 0.001 0.000 0.248 77 I C 2.345 178.232 176.117 -0.384 0.000 1.115 77 I CA 0.951 61.935 61.300 -0.526 0.000 1.392 77 I CB -0.205 37.410 38.000 -0.642 0.000 1.065 77 I HN 0.034 nan 8.210 nan 0.000 0.418 78 I N 0.500 120.854 120.570 -0.359 0.000 2.202 78 I HA -0.297 3.874 4.170 0.001 0.000 0.242 78 I C 2.678 178.453 176.117 -0.569 0.000 1.091 78 I CA 1.415 62.494 61.300 -0.369 0.000 1.368 78 I CB -0.356 37.441 38.000 -0.338 0.000 1.058 78 I HN 0.315 nan 8.210 nan 0.000 0.410 79 E N 1.612 121.298 120.200 -0.857 0.000 2.038 79 E HA -0.333 4.018 4.350 0.001 0.000 0.195 79 E C 2.228 178.614 176.600 -0.357 0.000 1.000 79 E CA 1.781 57.595 56.400 -0.976 0.000 0.803 79 E CB -0.069 29.207 29.700 -0.707 0.000 0.750 79 E HN 0.344 nan 8.360 nan 0.000 0.448 80 K N -0.129 120.114 120.400 -0.263 0.000 2.097 80 K HA -0.141 4.179 4.320 0.001 0.000 0.205 80 K C 1.907 178.463 176.600 -0.073 0.000 1.050 80 K CA 1.499 57.710 56.287 -0.126 0.000 0.938 80 K CB 0.153 32.588 32.500 -0.109 0.000 0.718 80 K HN 0.085 nan 8.250 nan 0.000 0.442 81 E N 0.349 120.487 120.200 -0.104 0.000 2.276 81 E HA 0.008 4.358 4.350 0.001 0.000 0.193 81 E C -0.251 176.339 176.600 -0.017 0.000 0.983 81 E CA 0.094 56.480 56.400 -0.022 0.000 0.861 81 E CB 0.364 30.075 29.700 0.018 0.000 0.817 81 E HN 0.183 nan 8.360 nan 0.000 0.485 82 R N 0.864 121.327 120.500 -0.062 0.000 3.059 82 R HA -0.124 4.216 4.340 0.001 0.000 0.251 82 R C -2.421 173.898 176.300 0.032 0.000 0.886 82 R CA 0.328 56.431 56.100 0.006 0.000 0.634 82 R CB -2.477 27.861 30.300 0.063 0.000 1.282 82 R HN 0.237 nan 8.270 nan 0.000 0.487 83 P HA 0.143 nan 4.420 nan 0.000 0.275 83 P C 0.378 177.709 177.300 0.053 0.000 1.228 83 P CA -0.305 62.817 63.100 0.036 0.000 0.786 83 P CB 0.754 32.466 31.700 0.020 0.000 0.927 84 D N 0.406 120.841 120.400 0.058 0.000 2.194 84 D HA 0.086 4.726 4.640 0.001 0.000 0.204 84 D C 0.760 177.087 176.300 0.045 0.000 0.964 84 D CA 1.201 55.236 54.000 0.058 0.000 0.846 84 D CB 0.383 41.223 40.800 0.067 0.000 0.962 84 D HN 0.482 nan 8.370 nan 0.000 0.490 85 A N -0.265 122.575 122.820 0.033 0.000 2.593 85 A HA 0.584 4.904 4.320 0.001 0.000 0.290 85 A C -1.544 176.045 177.584 0.009 0.000 1.126 85 A CA -0.557 51.490 52.037 0.016 0.000 0.695 85 A CB 2.257 21.256 19.000 -0.002 0.000 1.290 85 A HN -0.070 nan 8.150 nan 0.000 0.414 86 V N 0.895 120.811 119.914 0.004 0.000 2.638 86 V HA 0.670 4.791 4.120 0.001 0.000 0.306 86 V C -1.694 174.395 176.094 -0.007 0.000 1.052 86 V CA -0.634 61.666 62.300 0.001 0.000 0.885 86 V CB 1.492 33.318 31.823 0.007 0.000 0.999 86 V HN 1.035 nan 8.190 nan 0.000 0.424 87 L N 10.100 131.316 121.223 -0.011 0.000 2.277 87 L HA 0.744 5.085 4.340 0.001 0.000 0.284 87 L C -2.088 174.776 176.870 -0.010 0.000 1.028 87 L CA -1.327 53.505 54.840 -0.013 0.000 0.835 87 L CB 1.876 43.923 42.059 -0.021 0.000 1.215 87 L HN 0.523 nan 8.230 nan 0.000 0.425 88 P HA 0.135 nan 4.420 nan 0.000 0.282 88 P C 0.495 177.780 177.300 -0.026 0.000 1.373 88 P CA 0.134 63.224 63.100 -0.016 0.000 1.001 88 P CB 0.314 32.011 31.700 -0.006 0.000 1.489 89 T N -4.384 110.162 114.554 -0.015 0.000 3.188 89 T HA 0.245 4.596 4.350 0.001 0.000 0.250 89 T C 1.098 175.796 174.700 -0.002 0.000 1.077 89 T CA 0.064 62.159 62.100 -0.009 0.000 0.967 89 T CB -0.467 68.408 68.868 0.011 0.000 1.006 89 T HN -0.126 nan 8.240 nan 0.000 0.552 90 M N 0.887 120.477 119.600 -0.015 0.000 2.412 90 M HA 0.388 4.869 4.480 0.001 0.000 0.315 90 M C 1.135 177.420 176.300 -0.024 0.000 1.092 90 M CA 0.001 55.317 55.300 0.026 0.000 0.974 90 M CB 0.963 33.583 32.600 0.034 0.000 1.437 90 M HN 0.418 nan 8.290 nan 0.000 0.524 91 G N 0.141 108.820 108.800 -0.200 0.000 4.637 91 G HA2 0.494 4.455 3.960 0.001 0.000 0.294 91 G HA3 0.494 4.455 3.960 0.001 0.000 0.294 91 G C 0.759 175.197 174.900 -0.770 0.000 1.215 91 G CA 0.121 45.002 45.100 -0.366 0.000 0.943 91 G HN 0.555 nan 8.290 nan 0.000 0.572 92 G N 0.818 108.843 108.800 -1.292 0.000 2.564 92 G HA2 -0.373 3.587 3.960 0.001 0.000 0.273 92 G HA3 -0.373 3.587 3.960 0.001 0.000 0.273 92 G C 0.970 175.615 174.900 -0.424 0.000 1.242 92 G CA 0.805 45.213 45.100 -1.153 0.000 0.951 92 G HN 0.598 nan 8.290 nan 0.000 0.564 93 Q N -1.059 118.583 119.800 -0.265 0.000 2.137 93 Q HA 0.087 4.428 4.340 0.001 0.000 0.198 93 Q C 2.938 178.887 176.000 -0.085 0.000 0.960 93 Q CA 2.600 58.336 55.803 -0.111 0.000 0.847 93 Q CB -0.683 28.026 28.738 -0.048 0.000 0.915 93 Q HN 0.708 nan 8.270 nan 0.000 0.448 94 T N 0.336 114.819 114.554 -0.119 0.000 2.624 94 T HA -0.270 4.081 4.350 0.001 0.000 0.268 94 T C 1.673 176.329 174.700 -0.073 0.000 1.041 94 T CA 1.743 63.794 62.100 -0.081 0.000 1.159 94 T CB -0.671 68.144 68.868 -0.088 0.000 0.863 94 T HN 0.487 nan 8.240 nan 0.000 0.434 95 A N 1.005 123.757 122.820 -0.114 0.000 1.877 95 A HA -0.014 4.306 4.320 0.001 0.000 0.216 95 A C 2.360 179.916 177.584 -0.046 0.000 1.186 95 A CA 1.325 53.312 52.037 -0.084 0.000 0.620 95 A CB -0.871 18.062 19.000 -0.113 0.000 0.822 95 A HN 0.494 nan 8.150 nan 0.000 0.443 96 L N -0.494 120.703 121.223 -0.042 0.000 2.046 96 L HA -0.214 4.127 4.340 0.001 0.000 0.208 96 L C 2.391 179.299 176.870 0.063 0.000 1.077 96 L CA 1.379 56.231 54.840 0.020 0.000 0.747 96 L CB -0.755 41.327 42.059 0.038 0.000 0.896 96 L HN 0.369 nan 8.230 nan 0.000 0.432 97 N N -0.405 118.325 118.700 0.051 0.000 2.084 97 N HA -0.207 4.533 4.740 0.001 0.000 0.190 97 N C 1.909 177.400 175.510 -0.033 0.000 1.030 97 N CA 1.560 54.626 53.050 0.026 0.000 0.849 97 N CB -0.865 37.630 38.487 0.013 0.000 1.012 97 N HN 0.330 nan 8.380 nan 0.000 0.423 98 C N 0.864 120.149 119.300 -0.026 0.000 2.429 98 C HA 0.050 4.511 4.460 0.001 0.000 0.277 98 C C 2.701 177.681 174.990 -0.017 0.000 1.262 98 C CA 1.175 60.181 59.018 -0.020 0.000 1.733 98 C CB -1.282 26.452 27.740 -0.011 0.000 2.010 98 C HN 0.477 nan 8.230 nan 0.000 0.483 99 A N -0.453 122.359 122.820 -0.012 0.000 1.969 99 A HA 0.015 4.335 4.320 0.001 0.000 0.218 99 A C 1.885 179.453 177.584 -0.025 0.000 1.169 99 A CA 1.332 53.364 52.037 -0.008 0.000 0.635 99 A CB -0.458 18.543 19.000 0.001 0.000 0.810 99 A HN 0.539 nan 8.150 nan 0.000 0.445 100 L N -0.714 120.486 121.223 -0.038 0.000 2.240 100 L HA 0.003 4.344 4.340 0.001 0.000 0.211 100 L C 2.279 179.060 176.870 -0.148 0.000 1.106 100 L CA 1.750 56.545 54.840 -0.074 0.000 0.793 100 L CB -0.428 41.598 42.059 -0.055 0.000 0.927 100 L HN 0.460 nan 8.230 nan 0.000 0.446 101 E N 0.047 120.143 120.200 -0.173 0.000 2.046 101 E HA -0.144 4.206 4.350 0.001 0.000 0.190 101 E C 2.206 178.618 176.600 -0.313 0.000 0.982 101 E CA 1.265 57.493 56.400 -0.287 0.000 0.800 101 E CB -0.318 29.215 29.700 -0.279 0.000 0.756 101 E HN 0.350 nan 8.360 nan 0.000 0.449 102 L N 0.609 121.744 121.223 -0.146 0.000 2.081 102 L HA -0.228 4.113 4.340 0.001 0.000 0.212 102 L C 2.561 179.385 176.870 -0.077 0.000 1.080 102 L CA 1.918 56.729 54.840 -0.049 0.000 0.754 102 L CB -0.477 41.605 42.059 0.038 0.000 0.893 102 L HN 0.282 nan 8.230 nan 0.000 0.433 103 E N 0.155 120.303 120.200 -0.087 0.000 2.107 103 E HA -0.219 4.132 4.350 0.001 0.000 0.191 103 E C 2.293 178.826 176.600 -0.113 0.000 0.982 103 E CA 1.099 57.455 56.400 -0.073 0.000 0.809 103 E CB -0.107 29.560 29.700 -0.055 0.000 0.756 103 E HN 0.197 nan 8.360 nan 0.000 0.459 104 R N -0.399 119.996 120.500 -0.175 0.000 2.062 104 R HA -0.030 4.311 4.340 0.001 0.000 0.229 104 R C 2.075 178.232 176.300 -0.239 0.000 1.128 104 R CA 1.318 57.297 56.100 -0.202 0.000 0.960 104 R CB -0.025 30.120 30.300 -0.258 0.000 0.855 104 R HN 0.244 nan 8.270 nan 0.000 0.432 105 Q N -0.487 119.097 119.800 -0.360 0.000 2.508 105 Q HA -0.044 4.296 4.340 0.001 0.000 0.214 105 Q C 0.946 176.837 176.000 -0.181 0.000 0.979 105 Q CA 1.161 56.706 55.803 -0.430 0.000 0.911 105 Q CB 0.118 28.305 28.738 -0.918 0.000 0.969 105 Q HN 0.677 nan 8.270 nan 0.000 0.504 106 G N -0.177 108.553 108.800 -0.118 0.000 2.143 106 G HA2 -0.280 3.681 3.960 0.001 0.000 0.248 106 G HA3 -0.280 3.681 3.960 0.001 0.000 0.248 106 G C 0.875 175.784 174.900 0.015 0.000 0.991 106 G CA 0.436 45.508 45.100 -0.047 0.000 0.689 106 G HN 0.319 nan 8.290 nan 0.000 0.522 107 V N 0.274 120.224 119.914 0.059 0.000 2.667 107 V HA -0.064 4.057 4.120 0.001 0.000 0.252 107 V C 2.820 179.029 176.094 0.192 0.000 1.065 107 V CA 2.121 64.534 62.300 0.188 0.000 1.083 107 V CB -0.294 31.672 31.823 0.237 0.000 0.692 107 V HN 0.529 nan 8.190 nan 0.000 0.468 108 L N -0.270 121.012 121.223 0.099 0.000 2.156 108 L HA -0.110 4.230 4.340 0.001 0.000 0.208 108 L C 2.476 179.389 176.870 0.071 0.000 1.095 108 L CA 1.548 56.442 54.840 0.089 0.000 0.770 108 L CB -0.509 41.578 42.059 0.046 0.000 0.914 108 L HN 0.361 nan 8.230 nan 0.000 0.439 109 E N 0.630 120.849 120.200 0.032 0.000 2.046 109 E HA -0.256 4.094 4.350 0.001 0.000 0.190 109 E C 2.112 178.693 176.600 -0.032 0.000 0.982 109 E CA 1.010 57.409 56.400 -0.001 0.000 0.800 109 E CB 0.087 29.774 29.700 -0.021 0.000 0.756 109 E HN 0.391 nan 8.360 nan 0.000 0.449 110 E N -0.554 119.609 120.200 -0.061 0.000 2.086 110 E HA -0.208 4.143 4.350 0.001 0.000 0.200 110 E C 0.919 177.278 176.600 -0.401 0.000 1.012 110 E CA 1.382 57.627 56.400 -0.258 0.000 0.812 110 E CB -0.080 29.452 29.700 -0.280 0.000 0.743 110 E HN 0.292 nan 8.360 nan 0.000 0.453 111 F N -0.524 119.434 119.950 0.013 0.000 2.639 111 F HA 0.317 4.845 4.527 0.001 0.000 0.300 111 F C 1.062 176.868 175.800 0.011 0.000 1.109 111 F CA 0.279 58.286 58.000 0.012 0.000 1.335 111 F CB 0.905 39.913 39.000 0.013 0.000 1.014 111 F HN 0.071 nan 8.300 nan 0.000 0.537 112 G N 1.549 110.410 108.800 0.101 0.000 2.395 112 G HA2 -0.253 3.707 3.960 0.001 0.000 0.300 112 G HA3 -0.253 3.707 3.960 0.001 0.000 0.300 112 G C -0.199 174.750 174.900 0.081 0.000 0.998 112 G CA 0.073 45.214 45.100 0.068 0.000 1.046 112 G HN 0.190 nan 8.290 nan 0.000 0.513 113 V N 0.794 120.762 119.914 0.090 0.000 2.406 113 V HA 0.447 4.568 4.120 0.001 0.000 0.272 113 V C 0.903 177.024 176.094 0.045 0.000 1.043 113 V CA -0.146 62.197 62.300 0.072 0.000 0.915 113 V CB 1.547 33.417 31.823 0.079 0.000 0.988 113 V HN 0.387 nan 8.190 nan 0.000 0.466 114 T N 6.767 121.342 114.554 0.035 0.000 2.780 114 T HA 0.343 4.693 4.350 0.001 0.000 0.294 114 T C 0.026 174.735 174.700 0.014 0.000 0.949 114 T CA -0.170 61.944 62.100 0.022 0.000 1.074 114 T CB 0.670 69.549 68.868 0.019 0.000 0.910 114 T HN 0.598 nan 8.240 nan 0.000 0.501 115 M N 5.943 125.550 119.600 0.011 0.000 2.156 115 M HA 0.387 4.867 4.480 0.001 0.000 0.345 115 M C -0.311 175.991 176.300 0.003 0.000 1.398 115 M CA -0.396 54.908 55.300 0.007 0.000 1.148 115 M CB -0.167 32.438 32.600 0.009 0.000 1.663 115 M HN 0.623 nan 8.290 nan 0.000 0.464 116 I N 0.706 121.273 120.570 -0.004 0.000 2.947 116 I HA 0.903 5.073 4.170 0.001 0.000 0.314 116 I C 0.836 176.950 176.117 -0.004 0.000 1.028 116 I CA -0.196 61.099 61.300 -0.009 0.000 1.077 116 I CB 1.573 39.557 38.000 -0.027 0.000 1.274 116 I HN 0.816 nan 8.210 nan 0.000 0.485 117 G N 2.464 111.264 108.800 0.000 0.000 3.329 117 G HA2 -0.125 3.836 3.960 0.001 0.000 0.220 117 G HA3 -0.125 3.836 3.960 0.001 0.000 0.220 117 G C 0.159 175.069 174.900 0.015 0.000 1.358 117 G CA 0.381 45.487 45.100 0.010 0.000 0.856 117 G HN 1.759 nan 8.290 nan 0.000 0.551 118 A N -0.337 122.491 122.820 0.013 0.000 2.547 118 A HA 0.875 5.196 4.320 0.001 0.000 0.297 118 A C 0.030 177.624 177.584 0.016 0.000 1.056 118 A CA 0.968 53.015 52.037 0.017 0.000 0.688 118 A CB 1.095 20.106 19.000 0.018 0.000 1.282 118 A HN 1.962 nan 8.150 nan 0.000 0.400 119 T N -0.484 114.081 114.554 0.018 0.000 2.882 119 T HA 0.542 4.893 4.350 0.001 0.000 0.287 119 T C 1.374 176.090 174.700 0.026 0.000 1.014 119 T CA 0.236 62.347 62.100 0.019 0.000 1.049 119 T CB 1.373 70.251 68.868 0.017 0.000 1.001 119 T HN 1.729 nan 8.240 nan 0.000 0.525 120 A N 1.178 124.012 122.820 0.025 0.000 1.978 120 A HA -0.083 4.238 4.320 0.001 0.000 0.220 120 A C 1.983 179.596 177.584 0.047 0.000 1.170 120 A CA 2.115 54.173 52.037 0.035 0.000 0.636 120 A CB -1.274 17.736 19.000 0.018 0.000 0.810 120 A HN 1.045 nan 8.150 nan 0.000 0.448 121 D N -0.490 119.930 120.400 0.034 0.000 2.097 121 D HA -0.008 4.633 4.640 0.001 0.000 0.197 121 D C 2.092 178.419 176.300 0.045 0.000 0.984 121 D CA 1.548 55.571 54.000 0.038 0.000 0.826 121 D CB -0.192 40.623 40.800 0.024 0.000 0.973 121 D HN 0.338 nan 8.370 nan 0.000 0.460 122 A N 0.097 122.939 122.820 0.036 0.000 1.908 122 A HA -0.145 4.176 4.320 0.001 0.000 0.218 122 A C 2.345 179.954 177.584 0.040 0.000 1.181 122 A CA 1.222 53.280 52.037 0.036 0.000 0.627 122 A CB -0.858 18.159 19.000 0.028 0.000 0.818 122 A HN 0.395 nan 8.150 nan 0.000 0.445 123 I N -0.452 120.144 120.570 0.044 0.000 2.226 123 I HA -0.244 3.926 4.170 0.001 0.000 0.245 123 I C 2.252 178.399 176.117 0.051 0.000 1.100 123 I CA 1.882 63.206 61.300 0.039 0.000 1.374 123 I CB -0.312 37.729 38.000 0.068 0.000 1.057 123 I HN 0.411 nan 8.210 nan 0.000 0.413 124 D N 0.882 121.361 120.400 0.131 0.000 2.117 124 D HA -0.229 4.412 4.640 0.001 0.000 0.198 124 D C 2.194 178.562 176.300 0.114 0.000 0.982 124 D CA 1.262 55.393 54.000 0.218 0.000 0.828 124 D CB 0.005 40.928 40.800 0.204 0.000 0.967 124 D HN 0.042 nan 8.370 nan 0.000 0.464 125 K N -0.673 119.777 120.400 0.084 0.000 2.209 125 K HA -0.082 4.239 4.320 0.001 0.000 0.204 125 K C 1.733 178.411 176.600 0.129 0.000 1.048 125 K CA 1.137 57.473 56.287 0.082 0.000 0.940 125 K CB -0.037 32.496 32.500 0.055 0.000 0.729 125 K HN 0.194 nan 8.250 nan 0.000 0.451 126 A N 0.309 123.177 122.820 0.081 0.000 1.956 126 A HA 0.014 4.335 4.320 0.001 0.000 0.212 126 A C 1.677 179.168 177.584 -0.155 0.000 1.188 126 A CA 0.506 52.596 52.037 0.089 0.000 0.675 126 A CB 0.001 19.012 19.000 0.017 0.000 0.845 126 A HN 0.150 nan 8.150 nan 0.000 0.455 127 E N 0.740 120.735 120.200 -0.342 0.000 2.170 127 E HA -0.055 4.296 4.350 0.001 0.000 0.191 127 E C -0.038 176.185 176.600 -0.628 0.000 0.981 127 E CA 0.298 56.227 56.400 -0.785 0.000 0.830 127 E CB -0.196 28.486 29.700 -1.697 0.000 0.775 127 E HN 0.531 nan 8.360 nan 0.000 0.470 128 D N 1.246 121.519 120.400 -0.210 0.000 2.338 128 D HA 0.011 4.652 4.640 0.001 0.000 0.255 128 D C 0.838 177.177 176.300 0.066 0.000 1.237 128 D CA -0.057 53.995 54.000 0.086 0.000 0.883 128 D CB 0.505 41.428 40.800 0.206 0.000 1.087 128 D HN -0.061 nan 8.370 nan 0.000 0.485 129 R N 3.207 123.735 120.500 0.047 0.000 2.189 129 R HA -0.097 4.243 4.340 0.001 0.000 0.223 129 R C 2.045 178.417 176.300 0.120 0.000 1.092 129 R CA 0.399 56.541 56.100 0.070 0.000 0.989 129 R CB 0.128 30.434 30.300 0.011 0.000 0.876 129 R HN 0.455 nan 8.270 nan 0.000 0.457 130 R N 1.392 121.953 120.500 0.102 0.000 2.062 130 R HA -0.045 4.295 4.340 0.001 0.000 0.229 130 R C 2.169 178.516 176.300 0.078 0.000 1.128 130 R CA 1.094 57.245 56.100 0.084 0.000 0.960 130 R CB 0.033 30.388 30.300 0.093 0.000 0.855 130 R HN 0.120 nan 8.270 nan 0.000 0.432 131 R N -0.498 120.057 120.500 0.092 0.000 2.081 131 R HA -0.167 4.173 4.340 0.001 0.000 0.235 131 R C 2.226 178.546 176.300 0.034 0.000 1.131 131 R CA 1.671 57.808 56.100 0.062 0.000 0.960 131 R CB -0.513 29.833 30.300 0.077 0.000 0.856 131 R HN 0.221 nan 8.270 nan 0.000 0.436 132 F N 2.278 122.212 119.950 -0.027 0.000 2.069 132 F HA -0.269 4.258 4.527 0.001 0.000 0.298 132 F C 2.244 178.021 175.800 -0.038 0.000 1.113 132 F CA 1.802 59.776 58.000 -0.044 0.000 1.214 132 F CB -0.341 38.617 39.000 -0.070 0.000 0.978 132 F HN 0.024 nan 8.300 nan 0.000 0.474 133 D N -0.210 120.224 120.400 0.056 0.000 2.123 133 D HA -0.168 4.473 4.640 0.001 0.000 0.196 133 D C 2.311 178.546 176.300 -0.109 0.000 0.992 133 D CA 1.607 55.597 54.000 -0.016 0.000 0.833 133 D CB -0.034 40.797 40.800 0.052 0.000 0.954 133 D HN 0.262 nan 8.370 nan 0.000 0.455 134 V N 1.542 121.406 119.914 -0.084 0.000 2.295 134 V HA -0.255 3.865 4.120 0.001 0.000 0.246 134 V C 2.770 178.781 176.094 -0.139 0.000 1.049 134 V CA 1.825 64.075 62.300 -0.083 0.000 1.024 134 V CB -0.857 30.939 31.823 -0.045 0.000 0.648 134 V HN 0.267 nan 8.190 nan 0.000 0.447 135 A N -0.501 122.190 122.820 -0.214 0.000 1.917 135 A HA -0.268 4.052 4.320 0.001 0.000 0.219 135 A C 2.218 179.633 177.584 -0.282 0.000 1.182 135 A CA 2.258 54.142 52.037 -0.256 0.000 0.633 135 A CB -0.490 18.285 19.000 -0.374 0.000 0.819 135 A HN 0.423 nan 8.150 nan 0.000 0.448 136 M N -0.530 118.841 119.600 -0.382 0.000 2.117 136 M HA -0.106 4.374 4.480 0.001 0.000 0.262 136 M C 2.069 178.284 176.300 -0.141 0.000 1.065 136 M CA 1.779 56.911 55.300 -0.279 0.000 1.114 136 M CB -1.239 31.205 32.600 -0.259 0.000 1.361 136 M HN 0.502 nan 8.290 nan 0.000 0.408 137 K N 0.435 120.766 120.400 -0.116 0.000 2.063 137 K HA -0.218 4.102 4.320 0.001 0.000 0.208 137 K C 2.127 178.692 176.600 -0.059 0.000 1.048 137 K CA 1.532 57.779 56.287 -0.066 0.000 0.928 137 K CB -0.038 32.431 32.500 -0.052 0.000 0.713 137 K HN 0.220 nan 8.250 nan 0.000 0.442 138 K N 1.208 121.563 120.400 -0.074 0.000 2.009 138 K HA -0.153 4.168 4.320 0.001 0.000 0.210 138 K C 1.887 178.457 176.600 -0.050 0.000 1.049 138 K CA 1.960 58.212 56.287 -0.058 0.000 0.929 138 K CB -0.262 32.199 32.500 -0.065 0.000 0.714 138 K HN 0.362 nan 8.250 nan 0.000 0.440 139 I N -2.134 118.398 120.570 -0.063 0.000 3.680 139 I HA 0.236 4.407 4.170 0.001 0.000 0.306 139 I C 0.613 176.713 176.117 -0.029 0.000 1.260 139 I CA 0.459 61.733 61.300 -0.044 0.000 1.201 139 I CB -0.483 37.489 38.000 -0.047 0.000 1.009 139 I HN 0.349 nan 8.210 nan 0.000 0.467 140 G N 2.122 110.904 108.800 -0.029 0.000 2.249 140 G HA2 -0.254 3.706 3.960 0.001 0.000 0.273 140 G HA3 -0.254 3.706 3.960 0.001 0.000 0.273 140 G C -0.102 174.799 174.900 0.001 0.000 1.036 140 G CA 0.316 45.409 45.100 -0.013 0.000 0.824 140 G HN 0.490 nan 8.290 nan 0.000 0.504 141 L N -0.614 120.607 121.223 -0.003 0.000 2.344 141 L HA 0.611 4.952 4.340 0.001 0.000 0.272 141 L C 0.723 177.614 176.870 0.035 0.000 1.035 141 L CA -0.893 53.966 54.840 0.032 0.000 0.807 141 L CB 1.548 43.637 42.059 0.050 0.000 1.237 141 L HN 0.319 nan 8.230 nan 0.000 0.442 142 E N 0.788 121.030 120.200 0.071 0.000 2.277 142 E HA 0.387 4.738 4.350 0.001 0.000 0.274 142 E C -1.022 175.623 176.600 0.075 0.000 1.022 142 E CA -0.485 55.956 56.400 0.068 0.000 0.853 142 E CB 1.414 31.167 29.700 0.088 0.000 1.086 142 E HN 0.648 nan 8.360 nan 0.000 0.397 143 T N 0.094 114.676 114.554 0.047 0.000 2.916 143 T HA 0.724 5.075 4.350 0.001 0.000 0.292 143 T C -0.129 174.575 174.700 0.006 0.000 1.055 143 T CA -0.817 61.306 62.100 0.040 0.000 1.009 143 T CB 1.555 70.451 68.868 0.047 0.000 1.118 143 T HN 0.515 nan 8.240 nan 0.000 0.497 144 A N 1.655 124.459 122.820 -0.027 0.000 2.346 144 A HA 0.513 4.834 4.320 0.001 0.000 0.252 144 A C 0.704 178.260 177.584 -0.046 0.000 1.089 144 A CA -0.628 51.367 52.037 -0.071 0.000 0.797 144 A CB -0.009 18.919 19.000 -0.121 0.000 1.047 144 A HN 0.948 nan 8.150 nan 0.000 0.494 145 R N 0.406 120.873 120.500 -0.054 0.000 2.480 145 R HA 0.235 4.576 4.340 0.001 0.000 0.303 145 R C -0.176 176.098 176.300 -0.043 0.000 0.985 145 R CA 1.056 57.131 56.100 -0.042 0.000 1.051 145 R CB -0.066 30.205 30.300 -0.048 0.000 0.935 145 R HN 0.947 nan 8.270 nan 0.000 0.410 146 S N 1.758 117.440 115.700 -0.030 0.000 2.656 146 S HA 0.801 5.271 4.470 0.001 0.000 0.273 146 S C -0.593 173.993 174.600 -0.022 0.000 1.168 146 S CA -0.723 57.461 58.200 -0.026 0.000 0.817 146 S CB 2.103 65.293 63.200 -0.017 0.000 1.146 146 S HN 0.640 nan 8.310 nan 0.000 0.475 147 G N 0.012 108.799 108.800 -0.020 0.000 2.719 147 G HA2 0.607 4.567 3.960 0.001 0.000 0.298 147 G HA3 0.607 4.567 3.960 0.001 0.000 0.298 147 G C -1.161 173.717 174.900 -0.038 0.000 1.411 147 G CA -0.781 44.304 45.100 -0.025 0.000 0.991 147 G HN 0.657 nan 8.290 nan 0.000 0.509 148 I N 0.837 121.368 120.570 -0.065 0.000 2.532 148 I HA 0.602 4.773 4.170 0.001 0.000 0.292 148 I C 0.535 176.516 176.117 -0.226 0.000 1.014 148 I CA -0.459 60.757 61.300 -0.140 0.000 1.340 148 I CB 1.573 39.491 38.000 -0.137 0.000 1.422 148 I HN 0.628 nan 8.210 nan 0.000 0.528 149 A N 4.422 127.043 122.820 -0.333 0.000 2.486 149 A HA 0.629 4.950 4.320 0.001 0.000 0.300 149 A C -0.698 176.631 177.584 -0.424 0.000 1.048 149 A CA -0.445 51.413 52.037 -0.298 0.000 0.696 149 A CB 0.945 19.890 19.000 -0.092 0.000 1.278 149 A HN 0.880 nan 8.150 nan 0.000 0.405 150 H N 0.106 119.190 119.070 0.024 0.000 3.233 150 H HA 0.281 4.838 4.556 0.001 0.000 0.263 150 H C 0.526 175.863 175.328 0.015 0.000 1.168 150 H CA 0.790 56.848 56.048 0.017 0.000 1.159 150 H CB 1.221 30.993 29.762 0.016 0.000 1.593 150 H HN 0.806 nan 8.280 nan 0.000 0.580 151 T N -3.286 111.334 114.554 0.111 0.000 2.841 151 T HA 0.187 4.537 4.350 0.001 0.000 0.296 151 T C 0.780 175.512 174.700 0.053 0.000 1.166 151 T CA -0.925 61.221 62.100 0.077 0.000 1.007 151 T CB 1.817 70.733 68.868 0.080 0.000 1.253 151 T HN -0.029 nan 8.240 nan 0.000 0.511 152 M N 0.874 120.505 119.600 0.052 0.000 2.229 152 M HA 0.076 4.556 4.480 0.001 0.000 0.264 152 M C 2.089 178.448 176.300 0.098 0.000 1.063 152 M CA 2.120 57.457 55.300 0.062 0.000 1.114 152 M CB -0.903 31.732 32.600 0.058 0.000 1.387 152 M HN 0.906 nan 8.290 nan 0.000 0.420 153 E N -0.154 120.093 120.200 0.078 0.000 2.017 153 E HA -0.247 4.104 4.350 0.001 0.000 0.193 153 E C 1.872 178.515 176.600 0.073 0.000 0.997 153 E CA 1.830 58.274 56.400 0.073 0.000 0.804 153 E CB -0.376 29.357 29.700 0.056 0.000 0.757 153 E HN 0.661 nan 8.360 nan 0.000 0.448 154 E N 0.202 120.439 120.200 0.063 0.000 2.070 154 E HA -0.274 4.077 4.350 0.001 0.000 0.197 154 E C 2.111 178.749 176.600 0.062 0.000 1.004 154 E CA 1.123 57.551 56.400 0.046 0.000 0.805 154 E CB -0.258 29.459 29.700 0.028 0.000 0.744 154 E HN 0.453 nan 8.360 nan 0.000 0.451 155 A N 1.131 124.009 122.820 0.096 0.000 1.865 155 A HA -0.204 4.117 4.320 0.001 0.000 0.217 155 A C 2.206 179.991 177.584 0.335 0.000 1.191 155 A CA 1.361 53.518 52.037 0.201 0.000 0.623 155 A CB -0.825 18.264 19.000 0.149 0.000 0.826 155 A HN 0.180 nan 8.150 nan 0.000 0.444 156 L N -0.826 120.582 121.223 0.308 0.000 2.187 156 L HA -0.203 4.138 4.340 0.001 0.000 0.213 156 L C 2.950 179.812 176.870 -0.014 0.000 1.100 156 L CA 0.894 55.838 54.840 0.174 0.000 0.765 156 L CB -0.395 41.764 42.059 0.166 0.000 0.904 156 L HN 0.465 nan 8.230 nan 0.000 0.437 157 A N -0.661 122.169 122.820 0.016 0.000 1.929 157 A HA -0.080 4.241 4.320 0.001 0.000 0.216 157 A C 2.303 179.849 177.584 -0.064 0.000 1.176 157 A CA 1.252 53.271 52.037 -0.030 0.000 0.628 157 A CB -0.553 18.444 19.000 -0.006 0.000 0.816 157 A HN 0.163 nan 8.150 nan 0.000 0.444 158 V N 0.072 119.968 119.914 -0.031 0.000 2.307 158 V HA -0.239 3.882 4.120 0.001 0.000 0.245 158 V C 3.066 179.074 176.094 -0.144 0.000 1.045 158 V CA 1.852 64.122 62.300 -0.050 0.000 1.024 158 V CB -1.333 30.495 31.823 0.009 0.000 0.651 158 V HN 0.586 nan 8.190 nan 0.000 0.449 159 A N 0.230 122.907 122.820 -0.238 0.000 1.917 159 A HA -0.219 4.101 4.320 0.001 0.000 0.219 159 A C 2.430 179.669 177.584 -0.576 0.000 1.182 159 A CA 2.385 54.065 52.037 -0.595 0.000 0.633 159 A CB -0.854 17.399 19.000 -1.244 0.000 0.819 159 A HN 0.612 nan 8.150 nan 0.000 0.448 160 A N -0.345 122.240 122.820 -0.392 0.000 1.933 160 A HA -0.200 4.121 4.320 0.001 0.000 0.218 160 A C 1.850 179.289 177.584 -0.242 0.000 1.175 160 A CA 2.251 54.106 52.037 -0.303 0.000 0.628 160 A CB -0.618 18.273 19.000 -0.181 0.000 0.814 160 A HN 0.613 nan 8.150 nan 0.000 0.444 161 D N -0.663 119.619 120.400 -0.197 0.000 2.120 161 D HA -0.103 4.538 4.640 0.001 0.000 0.202 161 D C 1.855 178.066 176.300 -0.147 0.000 0.972 161 D CA 1.884 55.799 54.000 -0.141 0.000 0.837 161 D CB -0.020 40.721 40.800 -0.098 0.000 0.989 161 D HN 0.353 nan 8.370 nan 0.000 0.469 162 V N -2.787 117.022 119.914 -0.176 0.000 3.052 162 V HA 0.427 4.548 4.120 0.001 0.000 0.254 162 V C 1.181 177.162 176.094 -0.189 0.000 1.100 162 V CA 0.636 62.845 62.300 -0.152 0.000 1.112 162 V CB -0.784 30.970 31.823 -0.115 0.000 0.738 162 V HN 0.359 nan 8.190 nan 0.000 0.469 163 G N -0.076 108.536 108.800 -0.313 0.000 2.795 163 G HA2 -0.168 3.793 3.960 0.001 0.000 0.664 163 G HA3 -0.168 3.793 3.960 0.001 0.000 0.664 163 G C -0.767 173.914 174.900 -0.364 0.000 1.381 163 G CA -0.220 44.666 45.100 -0.357 0.000 0.853 163 G HN 0.530 nan 8.290 nan 0.000 0.545 164 F N 1.546 121.446 119.950 -0.083 0.000 2.422 164 F HA 0.577 5.105 4.527 0.001 0.000 0.333 164 F C -0.920 174.865 175.800 -0.024 0.000 1.095 164 F CA -1.593 56.366 58.000 -0.068 0.000 1.038 164 F CB 1.971 40.949 39.000 -0.038 0.000 1.156 164 F HN 0.453 nan 8.300 nan 0.000 0.483 165 P HA 0.337 nan 4.420 nan 0.000 0.279 165 P C -1.256 176.066 177.300 0.036 0.000 1.252 165 P CA -0.483 62.653 63.100 0.061 0.000 0.811 165 P CB 1.101 32.649 31.700 -0.254 0.000 1.035 166 C N 0.060 119.397 119.300 0.062 0.000 2.898 166 C HA 0.744 5.205 4.460 0.001 0.000 0.304 166 C C -0.582 174.422 174.990 0.023 0.000 1.237 166 C CA -0.960 58.083 59.018 0.041 0.000 1.529 166 C CB 0.187 27.968 27.740 0.068 0.000 2.021 166 C HN 0.366 nan 8.230 nan 0.000 0.474 167 I N 2.242 122.811 120.570 -0.001 0.000 2.359 167 I HA 0.526 4.696 4.170 0.001 0.000 0.294 167 I C 0.040 176.167 176.117 0.017 0.000 0.987 167 I CA -0.896 60.397 61.300 -0.012 0.000 1.225 167 I CB 1.157 39.134 38.000 -0.039 0.000 1.366 167 I HN 0.581 nan 8.210 nan 0.000 0.466 168 I N 6.749 127.323 120.570 0.006 0.000 2.339 168 I HA 0.492 4.663 4.170 0.001 0.000 0.290 168 I C -0.082 176.019 176.117 -0.026 0.000 0.994 168 I CA -0.431 60.863 61.300 -0.010 0.000 1.191 168 I CB 0.713 38.681 38.000 -0.054 0.000 1.343 168 I HN 0.379 nan 8.210 nan 0.000 0.458 169 R N 6.609 127.093 120.500 -0.028 0.000 2.473 169 R HA 0.423 4.763 4.340 0.001 0.000 0.303 169 R C -2.747 173.535 176.300 -0.029 0.000 1.002 169 R CA -1.812 54.270 56.100 -0.031 0.000 0.884 169 R CB 1.749 32.025 30.300 -0.040 0.000 1.173 169 R HN 0.226 nan 8.270 nan 0.000 0.464 170 P HA 0.078 nan 4.420 nan 0.000 0.272 170 P C -0.435 176.869 177.300 0.007 0.000 1.223 170 P CA -0.143 62.956 63.100 -0.002 0.000 0.784 170 P CB 0.861 32.564 31.700 0.004 0.000 0.923 171 S N 1.505 117.238 115.700 0.056 0.000 2.584 171 S HA 0.337 4.808 4.470 0.001 0.000 0.273 171 S C 0.063 174.776 174.600 0.187 0.000 1.311 171 S CA -0.067 58.182 58.200 0.081 0.000 1.034 171 S CB -0.712 62.601 63.200 0.189 0.000 0.939 171 S HN 0.459 nan 8.310 nan 0.000 0.513 172 F N -0.216 119.719 119.950 -0.025 0.000 2.926 172 F HA -0.236 4.291 4.527 0.001 0.000 0.288 172 F C 0.942 176.721 175.800 -0.035 0.000 0.756 172 F CA 0.904 58.886 58.000 -0.029 0.000 1.292 172 F CB -2.185 36.800 39.000 -0.025 0.000 1.482 172 F HN 0.661 nan 8.300 nan 0.000 0.400 173 T N -1.746 112.822 114.554 0.022 0.000 2.907 173 T HA 0.888 5.239 4.350 0.001 0.000 0.290 173 T C -0.228 174.451 174.700 -0.034 0.000 1.066 173 T CA -0.177 61.927 62.100 0.006 0.000 1.012 173 T CB 2.924 71.794 68.868 0.004 0.000 1.184 173 T HN 0.454 nan 8.240 nan 0.000 0.522 174 M N -0.648 118.939 119.600 -0.020 0.000 2.755 174 M HA 0.825 5.305 4.480 0.001 0.000 0.273 174 M C 0.765 177.052 176.300 -0.022 0.000 1.278 174 M CA 0.323 55.623 55.300 0.000 0.000 0.819 174 M CB 0.542 33.149 32.600 0.012 0.000 1.694 174 M HN 1.537 nan 8.290 nan 0.000 0.460 175 G N -0.715 108.075 108.800 -0.017 0.000 2.166 175 G HA2 0.164 4.125 3.960 0.001 0.000 0.260 175 G HA3 0.164 4.125 3.960 0.001 0.000 0.260 175 G C 1.225 175.844 174.900 -0.468 0.000 0.986 175 G CA 0.957 45.864 45.100 -0.322 0.000 0.683 175 G HN 2.622 nan 8.290 nan 0.000 0.527 176 G N -1.568 107.134 108.800 -0.163 0.000 2.153 176 G HA2 -0.068 3.893 3.960 0.001 0.000 0.252 176 G HA3 -0.068 3.893 3.960 0.001 0.000 0.252 176 G C 0.508 175.359 174.900 -0.081 0.000 0.994 176 G CA 0.831 45.897 45.100 -0.057 0.000 0.698 176 G HN 1.804 nan 8.290 nan 0.000 0.521 177 S N -0.034 115.611 115.700 -0.092 0.000 2.537 177 S HA 0.434 4.904 4.470 0.001 0.000 0.286 177 S C 1.695 176.258 174.600 -0.062 0.000 1.299 177 S CA 1.183 59.331 58.200 -0.087 0.000 1.067 177 S CB 1.061 64.216 63.200 -0.075 0.000 0.864 177 S HN 2.093 nan 8.310 nan 0.000 0.494 178 G N 2.293 111.051 108.800 -0.070 0.000 2.184 178 G HA2 -0.187 3.773 3.960 0.001 0.000 0.264 178 G HA3 -0.187 3.773 3.960 0.001 0.000 0.264 178 G C 0.349 175.213 174.900 -0.059 0.000 0.975 178 G CA 0.033 45.096 45.100 -0.061 0.000 0.642 178 G HN 1.103 nan 8.290 nan 0.000 0.536 179 G N -1.442 107.327 108.800 -0.052 0.000 2.820 179 G HA2 1.001 4.962 3.960 0.001 0.000 0.291 179 G HA3 1.001 4.962 3.960 0.001 0.000 0.291 179 G C 0.251 175.131 174.900 -0.034 0.000 1.323 179 G CA 0.223 45.298 45.100 -0.041 0.000 1.055 179 G HN 1.663 nan 8.290 nan 0.000 0.520 180 G N -1.757 107.028 108.800 -0.024 0.000 2.317 180 G HA2 0.421 4.381 3.960 0.001 0.000 0.293 180 G HA3 0.421 4.381 3.960 0.001 0.000 0.293 180 G C -1.870 173.014 174.900 -0.028 0.000 1.287 180 G CA -0.807 44.284 45.100 -0.014 0.000 0.850 180 G HN 0.682 nan 8.290 nan 0.000 0.515 181 I N 1.052 121.592 120.570 -0.050 0.000 2.406 181 I HA 0.621 4.791 4.170 0.001 0.000 0.290 181 I C 0.450 176.436 176.117 -0.217 0.000 0.999 181 I CA -0.821 60.387 61.300 -0.153 0.000 1.124 181 I CB 2.066 39.917 38.000 -0.249 0.000 1.289 181 I HN 0.755 nan 8.210 nan 0.000 0.441 182 A N 5.312 128.040 122.820 -0.153 0.000 2.276 182 A HA 0.499 4.820 4.320 0.001 0.000 0.316 182 A C -0.556 176.825 177.584 -0.338 0.000 1.229 182 A CA -0.160 51.816 52.037 -0.101 0.000 0.851 182 A CB 0.200 19.364 19.000 0.273 0.000 1.165 182 A HN 0.751 nan 8.150 nan 0.000 0.513 183 Y N 1.413 121.597 120.300 -0.194 0.000 2.458 183 Y HA 0.115 4.666 4.550 0.002 0.000 0.254 183 Y C 0.839 176.373 175.900 -0.611 0.000 1.120 183 Y CA 0.679 58.634 58.100 -0.241 0.000 1.282 183 Y CB 0.299 38.687 38.460 -0.121 0.000 1.109 183 Y HN 0.913 nan 8.280 nan 0.000 0.526 184 N N -2.347 115.871 118.700 -0.802 0.000 3.039 184 N HA 0.193 4.934 4.740 0.001 0.000 0.257 184 N C 0.332 175.301 175.510 -0.901 0.000 1.497 184 N CA -0.994 51.453 53.050 -1.005 0.000 0.861 184 N CB 0.576 38.869 38.487 -0.323 0.000 1.479 184 N HN -0.197 nan 8.380 nan 0.000 0.547 185 R N -0.205 120.084 120.500 -0.351 0.000 2.092 185 R HA -0.102 4.238 4.340 0.001 0.000 0.231 185 R C 1.345 177.722 176.300 0.127 0.000 1.119 185 R CA 1.689 57.843 56.100 0.091 0.000 0.970 185 R CB -0.156 30.257 30.300 0.189 0.000 0.864 185 R HN 0.831 nan 8.270 nan 0.000 0.440 186 E N 0.450 120.667 120.200 0.028 0.000 2.051 186 E HA -0.217 4.134 4.350 0.001 0.000 0.192 186 E C 1.622 178.243 176.600 0.036 0.000 0.991 186 E CA 1.468 57.892 56.400 0.039 0.000 0.799 186 E CB 0.066 29.773 29.700 0.013 0.000 0.748 186 E HN 0.443 nan 8.360 nan 0.000 0.449 187 E N -0.215 119.985 120.200 0.001 0.000 2.047 187 E HA -0.174 4.177 4.350 0.001 0.000 0.191 187 E C 1.847 178.472 176.600 0.043 0.000 0.987 187 E CA 1.064 57.468 56.400 0.006 0.000 0.799 187 E CB -0.252 29.444 29.700 -0.006 0.000 0.752 187 E HN 0.292 nan 8.360 nan 0.000 0.449 188 F N 2.110 122.009 119.950 -0.085 0.000 2.065 188 F HA -0.284 4.243 4.527 0.001 0.000 0.298 188 F C 2.181 178.003 175.800 0.036 0.000 1.112 188 F CA 1.796 59.808 58.000 0.020 0.000 1.212 188 F CB 0.066 39.158 39.000 0.154 0.000 0.975 188 F HN -0.030 nan 8.300 nan 0.000 0.476 189 E N -0.239 120.012 120.200 0.086 0.000 2.110 189 E HA -0.280 4.071 4.350 0.001 0.000 0.193 189 E C 2.223 178.771 176.600 -0.088 0.000 0.988 189 E CA 1.311 57.703 56.400 -0.014 0.000 0.804 189 E CB -0.327 29.432 29.700 0.100 0.000 0.745 189 E HN 0.585 nan 8.360 nan 0.000 0.458 190 E N 0.790 120.957 120.200 -0.054 0.000 2.051 190 E HA -0.210 4.141 4.350 0.001 0.000 0.192 190 E C 2.107 178.646 176.600 -0.100 0.000 0.991 190 E CA 1.028 57.393 56.400 -0.058 0.000 0.799 190 E CB -0.044 29.638 29.700 -0.031 0.000 0.748 190 E HN 0.240 nan 8.360 nan 0.000 0.449 191 I N 0.574 121.064 120.570 -0.133 0.000 2.252 191 I HA -0.302 3.869 4.170 0.001 0.000 0.245 191 I C 2.721 178.723 176.117 -0.191 0.000 1.102 191 I CA 0.661 61.873 61.300 -0.147 0.000 1.385 191 I CB -0.303 37.617 38.000 -0.133 0.000 1.064 191 I HN 0.290 nan 8.210 nan 0.000 0.414 192 C N 0.871 119.984 119.300 -0.311 0.000 2.432 192 C HA -0.143 4.317 4.460 0.001 0.000 0.277 192 C C 3.235 178.127 174.990 -0.163 0.000 1.249 192 C CA 0.892 59.727 59.018 -0.304 0.000 1.725 192 C CB -1.280 26.159 27.740 -0.502 0.000 2.028 192 C HN 0.601 nan 8.230 nan 0.000 0.477 193 A N 0.680 123.422 122.820 -0.131 0.000 1.883 193 A HA -0.268 4.053 4.320 0.001 0.000 0.217 193 A C 2.225 179.768 177.584 -0.068 0.000 1.186 193 A CA 2.170 54.165 52.037 -0.069 0.000 0.624 193 A CB -0.682 18.293 19.000 -0.042 0.000 0.822 193 A HN 0.668 nan 8.150 nan 0.000 0.444 194 R N -0.702 119.744 120.500 -0.089 0.000 2.073 194 R HA -0.092 4.249 4.340 0.001 0.000 0.234 194 R C 2.280 178.540 176.300 -0.066 0.000 1.134 194 R CA 1.835 57.884 56.100 -0.085 0.000 0.952 194 R CB -0.820 29.426 30.300 -0.091 0.000 0.850 194 R HN 0.429 nan 8.270 nan 0.000 0.433 195 G N 0.932 109.687 108.800 -0.075 0.000 2.421 195 G HA2 -0.230 3.730 3.960 0.001 0.000 0.216 195 G HA3 -0.230 3.730 3.960 0.001 0.000 0.216 195 G C 1.490 176.369 174.900 -0.034 0.000 1.171 195 G CA 0.758 45.823 45.100 -0.058 0.000 0.775 195 G HN 0.252 nan 8.290 nan 0.000 0.543 196 L N 0.225 121.426 121.223 -0.037 0.000 2.042 196 L HA -0.107 4.234 4.340 0.001 0.000 0.210 196 L C 2.533 179.409 176.870 0.010 0.000 1.076 196 L CA 1.623 56.460 54.840 -0.006 0.000 0.749 196 L CB -0.306 41.751 42.059 -0.002 0.000 0.893 196 L HN 0.204 nan 8.230 nan 0.000 0.432 197 D N -0.441 119.960 120.400 0.001 0.000 2.224 197 D HA -0.160 4.480 4.640 0.001 0.000 0.205 197 D C 1.939 178.245 176.300 0.009 0.000 0.965 197 D CA 0.560 54.567 54.000 0.012 0.000 0.852 197 D CB 0.245 41.052 40.800 0.011 0.000 0.947 197 D HN 0.106 nan 8.370 nan 0.000 0.494 198 L N -0.194 121.028 121.223 -0.002 0.000 2.209 198 L HA 0.206 4.547 4.340 0.001 0.000 0.207 198 L C 0.716 177.595 176.870 0.015 0.000 1.094 198 L CA 0.454 55.294 54.840 -0.000 0.000 0.790 198 L CB -0.403 41.645 42.059 -0.018 0.000 0.932 198 L HN -0.135 nan 8.230 nan 0.000 0.447 199 S N 0.463 116.177 115.700 0.023 0.000 2.498 199 S HA 0.114 4.585 4.470 0.001 0.000 0.281 199 S C -1.420 173.203 174.600 0.037 0.000 1.265 199 S CA -0.977 57.254 58.200 0.052 0.000 1.071 199 S CB 0.480 63.719 63.200 0.066 0.000 0.894 199 S HN 0.143 nan 8.310 nan 0.000 0.491 200 P HA -0.049 nan 4.420 nan 0.000 0.223 200 P C 0.965 178.206 177.300 -0.099 0.000 1.144 200 P CA 1.112 64.181 63.100 -0.052 0.000 0.783 200 P CB -0.130 31.502 31.700 -0.114 0.000 0.771 201 T N -5.458 109.077 114.554 -0.031 0.000 3.129 201 T HA 0.210 4.561 4.350 0.001 0.000 0.267 201 T C 0.692 175.415 174.700 0.038 0.000 1.018 201 T CA -0.577 61.503 62.100 -0.033 0.000 0.903 201 T CB -0.516 68.351 68.868 -0.002 0.000 1.067 201 T HN -0.051 nan 8.240 nan 0.000 0.549 202 K N 0.963 121.391 120.400 0.047 0.000 3.156 202 K HA -0.212 4.109 4.320 0.001 0.000 0.266 202 K C -0.538 176.153 176.600 0.152 0.000 0.966 202 K CA 0.747 57.078 56.287 0.072 0.000 0.719 202 K CB -1.068 31.461 32.500 0.048 0.000 1.333 202 K HN 0.844 nan 8.250 nan 0.000 0.468 203 E N 0.630 120.916 120.200 0.144 0.000 2.314 203 E HA 0.518 4.869 4.350 0.001 0.000 0.272 203 E C -1.086 175.547 176.600 0.056 0.000 0.884 203 E CA -0.877 55.622 56.400 0.164 0.000 0.753 203 E CB 1.151 30.987 29.700 0.226 0.000 1.213 203 E HN 0.251 nan 8.360 nan 0.000 0.432 204 L N 3.510 124.721 121.223 -0.019 0.000 2.370 204 L HA 0.582 4.923 4.340 0.001 0.000 0.266 204 L C -0.989 175.849 176.870 -0.053 0.000 1.002 204 L CA -1.173 53.645 54.840 -0.037 0.000 0.818 204 L CB 1.806 43.831 42.059 -0.057 0.000 1.325 204 L HN 0.480 nan 8.230 nan 0.000 0.418 205 L N 2.964 124.169 121.223 -0.031 0.000 2.333 205 L HA 0.672 5.013 4.340 0.001 0.000 0.280 205 L C -1.123 175.740 176.870 -0.011 0.000 1.004 205 L CA 0.047 54.872 54.840 -0.025 0.000 0.820 205 L CB 1.475 43.527 42.059 -0.013 0.000 1.247 205 L HN 0.415 nan 8.230 nan 0.000 0.416 206 I N 4.135 124.708 120.570 0.005 0.000 2.406 206 I HA 0.465 4.636 4.170 0.001 0.000 0.290 206 I C -0.997 175.126 176.117 0.010 0.000 0.999 206 I CA -0.265 61.058 61.300 0.038 0.000 1.124 206 I CB 1.709 39.780 38.000 0.118 0.000 1.289 206 I HN 0.609 nan 8.210 nan 0.000 0.441 207 D N 4.084 124.482 120.400 -0.003 0.000 2.433 207 D HA 0.309 4.950 4.640 0.001 0.000 0.236 207 D C -0.643 175.626 176.300 -0.051 0.000 1.026 207 D CA -0.779 53.200 54.000 -0.035 0.000 0.884 207 D CB 1.157 41.926 40.800 -0.052 0.000 1.384 207 D HN 0.560 nan 8.370 nan 0.000 0.477 208 E N -0.127 120.029 120.200 -0.073 0.000 2.422 208 E HA 0.152 4.503 4.350 0.001 0.000 0.260 208 E C -0.234 176.298 176.600 -0.112 0.000 1.108 208 E CA -0.544 55.803 56.400 -0.088 0.000 0.943 208 E CB 0.698 30.342 29.700 -0.093 0.000 0.961 208 E HN 0.191 nan 8.360 nan 0.000 0.443 209 S N 1.742 117.379 115.700 -0.104 0.000 2.549 209 S HA 0.103 4.573 4.470 0.001 0.000 0.279 209 S C 0.340 174.807 174.600 -0.220 0.000 1.321 209 S CA -0.529 57.597 58.200 -0.123 0.000 1.054 209 S CB 0.046 63.206 63.200 -0.067 0.000 0.899 209 S HN 0.560 nan 8.310 nan 0.000 0.497 210 L N 5.154 126.207 121.223 -0.284 0.000 3.267 210 L HA 0.397 4.737 4.340 0.001 0.000 0.289 210 L C -0.084 176.624 176.870 -0.270 0.000 1.260 210 L CA -0.281 54.224 54.840 -0.558 0.000 1.034 210 L CB 0.132 41.754 42.059 -0.728 0.000 1.413 210 L HN 0.624 nan 8.230 nan 0.000 0.594 211 I N 1.182 121.692 120.570 -0.099 0.000 2.826 211 I HA -0.060 4.111 4.170 0.001 0.000 0.295 211 I C 1.504 177.679 176.117 0.098 0.000 1.213 211 I CA 1.545 62.852 61.300 0.012 0.000 1.436 211 I CB 0.450 38.471 38.000 0.036 0.000 1.348 211 I HN 0.484 nan 8.210 nan 0.000 0.570 212 G N 4.589 113.466 108.800 0.129 0.000 2.254 212 G HA2 -0.222 3.739 3.960 0.001 0.000 0.225 212 G HA3 -0.222 3.739 3.960 0.001 0.000 0.225 212 G C -0.125 174.963 174.900 0.313 0.000 1.003 212 G CA -0.601 44.600 45.100 0.169 0.000 0.622 212 G HN 0.500 nan 8.290 nan 0.000 0.507 213 W N 2.105 123.439 121.300 0.057 0.000 2.093 213 W HA 0.627 5.288 4.660 0.001 0.000 0.352 213 W C 1.079 177.648 176.519 0.084 0.000 1.294 213 W CA -0.610 56.789 57.345 0.089 0.000 1.290 213 W CB 0.394 29.910 29.460 0.093 0.000 1.149 213 W HN 0.018 nan 8.180 nan 0.000 0.606 214 K N 1.522 122.102 120.400 0.300 0.000 2.326 214 K HA 0.109 4.430 4.320 0.001 0.000 0.275 214 K C -0.311 176.387 176.600 0.164 0.000 1.018 214 K CA -0.268 56.126 56.287 0.177 0.000 0.962 214 K CB 0.801 33.424 32.500 0.205 0.000 0.953 214 K HN 0.382 nan 8.250 nan 0.000 0.475 215 E N 2.536 122.709 120.200 -0.046 0.000 2.176 215 E HA 0.255 4.605 4.350 0.001 0.000 0.267 215 E C -1.567 174.886 176.600 -0.245 0.000 0.893 215 E CA -0.553 55.843 56.400 -0.007 0.000 0.761 215 E CB 0.742 30.447 29.700 0.008 0.000 1.133 215 E HN 0.360 nan 8.360 nan 0.000 0.409 216 Y N 1.619 122.021 120.300 0.169 0.000 2.570 216 Y HA 0.449 4.999 4.550 0.001 0.000 0.345 216 Y C -0.299 175.721 175.900 0.199 0.000 1.014 216 Y CA -0.765 57.435 58.100 0.166 0.000 1.063 216 Y CB 2.313 40.862 38.460 0.149 0.000 1.272 216 Y HN 0.473 nan 8.280 nan 0.000 0.477 217 E N 1.894 122.301 120.200 0.346 0.000 2.383 217 E HA 0.641 4.992 4.350 0.001 0.000 0.275 217 E C -1.506 175.227 176.600 0.221 0.000 0.918 217 E CA -1.010 55.538 56.400 0.247 0.000 0.764 217 E CB 3.145 32.918 29.700 0.120 0.000 1.252 217 E HN 0.453 nan 8.360 nan 0.000 0.449 218 M N 1.555 121.270 119.600 0.190 0.000 2.327 218 M HA 0.287 4.768 4.480 0.001 0.000 0.298 218 M C -1.199 175.140 176.300 0.066 0.000 1.065 218 M CA -0.826 54.543 55.300 0.114 0.000 0.916 218 M CB 2.332 34.994 32.600 0.104 0.000 1.630 218 M HN 0.324 nan 8.290 nan 0.000 0.442 219 E N 3.196 123.409 120.200 0.022 0.000 2.115 219 E HA 0.476 4.826 4.350 0.001 0.000 0.282 219 E C -1.033 175.535 176.600 -0.053 0.000 0.987 219 E CA -0.275 56.119 56.400 -0.010 0.000 0.797 219 E CB 1.737 31.426 29.700 -0.018 0.000 1.086 219 E HN 0.359 nan 8.360 nan 0.000 0.397 220 V N 2.240 122.135 119.914 -0.033 0.000 2.815 220 V HA 0.570 4.691 4.120 0.001 0.000 0.314 220 V C 0.029 176.096 176.094 -0.044 0.000 1.064 220 V CA -0.950 61.323 62.300 -0.045 0.000 0.952 220 V CB 2.271 34.091 31.823 -0.005 0.000 1.020 220 V HN 0.338 nan 8.190 nan 0.000 0.439 221 V N 3.094 122.977 119.914 -0.052 0.000 2.733 221 V HA 0.627 4.748 4.120 0.001 0.000 0.306 221 V C -0.433 175.668 176.094 0.012 0.000 1.084 221 V CA -0.647 61.644 62.300 -0.015 0.000 0.905 221 V CB 2.007 33.813 31.823 -0.029 0.000 1.010 221 V HN 0.935 nan 8.190 nan 0.000 0.424 222 R N 2.698 123.218 120.500 0.034 0.000 2.686 222 R HA 0.677 5.018 4.340 0.001 0.000 0.283 222 R C -1.649 174.683 176.300 0.053 0.000 0.978 222 R CA -0.495 55.629 56.100 0.040 0.000 0.897 222 R CB 2.103 32.422 30.300 0.031 0.000 1.192 222 R HN 0.923 nan 8.270 nan 0.000 0.457 223 D N 1.860 122.294 120.400 0.057 0.000 2.340 223 D HA 0.137 4.778 4.640 0.001 0.000 0.243 223 D C 0.327 176.657 176.300 0.050 0.000 0.988 223 D CA -0.872 53.166 54.000 0.064 0.000 0.959 223 D CB 1.386 42.235 40.800 0.082 0.000 1.226 223 D HN 0.618 nan 8.370 nan 0.000 0.509 224 K N 0.257 120.686 120.400 0.048 0.000 2.281 224 K HA -0.150 4.170 4.320 0.001 0.000 0.203 224 K C 0.580 177.199 176.600 0.033 0.000 1.046 224 K CA 1.115 57.423 56.287 0.035 0.000 0.938 224 K CB -0.388 32.130 32.500 0.029 0.000 0.737 224 K HN 0.126 nan 8.250 nan 0.000 0.458 225 N N 0.931 119.655 118.700 0.040 0.000 2.398 225 N HA -0.055 4.685 4.740 0.001 0.000 0.188 225 N C -0.480 175.051 175.510 0.035 0.000 1.122 225 N CA 0.786 53.858 53.050 0.037 0.000 0.866 225 N CB 0.150 38.662 38.487 0.042 0.000 0.970 225 N HN 0.328 nan 8.380 nan 0.000 0.462 226 D N -0.897 119.524 120.400 0.035 0.000 3.070 226 D HA -0.160 4.481 4.640 0.001 0.000 0.210 226 D C -0.950 175.371 176.300 0.035 0.000 1.103 226 D CA 0.430 54.449 54.000 0.031 0.000 0.980 226 D CB -1.443 39.372 40.800 0.025 0.000 1.100 226 D HN 0.173 nan 8.370 nan 0.000 0.423 227 N N 0.407 119.133 118.700 0.044 0.000 2.520 227 N HA 0.345 5.086 4.740 0.001 0.000 0.273 227 N C -0.301 175.236 175.510 0.044 0.000 1.155 227 N CA 0.146 53.225 53.050 0.049 0.000 0.967 227 N CB 1.395 39.920 38.487 0.064 0.000 1.092 227 N HN 0.301 nan 8.380 nan 0.000 0.457 228 C N 3.308 122.629 119.300 0.035 0.000 2.686 228 C HA 0.746 5.206 4.460 0.001 0.000 0.318 228 C C -0.736 174.256 174.990 0.005 0.000 1.160 228 C CA -0.707 58.323 59.018 0.021 0.000 1.396 228 C CB -0.334 27.416 27.740 0.017 0.000 1.924 228 C HN 0.757 nan 8.230 nan 0.000 0.471 229 I N 3.221 123.777 120.570 -0.024 0.000 2.865 229 I HA 0.673 4.843 4.170 0.001 0.000 0.302 229 I C -1.125 174.925 176.117 -0.111 0.000 1.140 229 I CA -0.845 60.414 61.300 -0.069 0.000 1.021 229 I CB 1.665 39.599 38.000 -0.110 0.000 1.233 229 I HN 0.270 nan 8.210 nan 0.000 0.427 230 I N 4.725 125.228 120.570 -0.111 0.000 2.297 230 I HA 0.180 4.351 4.170 0.001 0.000 0.291 230 I C 0.990 176.986 176.117 -0.202 0.000 1.033 230 I CA -0.324 60.911 61.300 -0.109 0.000 1.253 230 I CB 1.409 39.388 38.000 -0.036 0.000 1.396 230 I HN 0.586 nan 8.210 nan 0.000 0.476 231 V N 5.326 125.069 119.914 -0.285 0.000 2.649 231 V HA -0.030 4.091 4.120 0.001 0.000 0.248 231 V C 0.708 176.673 176.094 -0.216 0.000 1.054 231 V CA 1.002 63.037 62.300 -0.442 0.000 1.073 231 V CB 0.459 31.902 31.823 -0.632 0.000 0.699 231 V HN 0.881 nan 8.190 nan 0.000 0.463 232 C N -0.276 118.963 119.300 -0.101 0.000 3.241 232 C HA 0.601 5.062 4.460 0.001 0.000 0.348 232 C C -0.248 174.770 174.990 0.046 0.000 1.180 232 C CA -0.444 58.566 59.018 -0.013 0.000 1.273 232 C CB 1.288 29.029 27.740 0.001 0.000 1.620 232 C HN 0.467 nan 8.230 nan 0.000 0.510 233 S N 3.859 119.622 115.700 0.105 0.000 2.537 233 S HA 0.903 5.374 4.470 0.001 0.000 0.301 233 S C -1.043 173.655 174.600 0.163 0.000 1.092 233 S CA -0.563 57.733 58.200 0.160 0.000 1.048 233 S CB 1.293 64.669 63.200 0.293 0.000 1.053 233 S HN 0.717 nan 8.310 nan 0.000 0.501 234 I N 1.234 121.924 120.570 0.200 0.000 2.534 234 I HA 0.403 4.574 4.170 0.001 0.000 0.288 234 I C -0.638 175.596 176.117 0.196 0.000 1.077 234 I CA -0.327 61.076 61.300 0.172 0.000 1.051 234 I CB 2.224 40.295 38.000 0.118 0.000 1.234 234 I HN 0.841 nan 8.210 nan 0.000 0.425 235 E N 6.639 126.926 120.200 0.145 0.000 2.158 235 E HA 0.351 4.702 4.350 0.001 0.000 0.271 235 E C -0.903 175.685 176.600 -0.020 0.000 0.911 235 E CA -0.616 55.756 56.400 -0.046 0.000 0.767 235 E CB 1.139 30.904 29.700 0.108 0.000 1.120 235 E HN 0.547 nan 8.360 nan 0.000 0.405 236 N N 3.882 122.497 118.700 -0.142 0.000 2.518 236 N HA 0.047 4.788 4.740 0.001 0.000 0.266 236 N C 0.168 175.652 175.510 -0.043 0.000 1.196 236 N CA -0.053 52.970 53.050 -0.045 0.000 0.947 236 N CB 0.656 39.112 38.487 -0.051 0.000 1.098 236 N HN 0.541 nan 8.380 nan 0.000 0.450 237 F N 1.769 121.546 119.950 -0.288 0.000 2.179 237 F HA 0.052 4.580 4.527 0.001 0.000 0.292 237 F C 0.563 176.202 175.800 -0.268 0.000 1.089 237 F CA 0.689 58.329 58.000 -0.601 0.000 1.295 237 F CB 0.291 38.940 39.000 -0.586 0.000 1.041 237 F HN 0.373 nan 8.300 nan 0.000 0.487 238 D N 1.845 122.316 120.400 0.118 0.000 2.351 238 D HA 0.293 4.933 4.640 0.001 0.000 0.251 238 D C 0.338 176.639 176.300 0.002 0.000 1.137 238 D CA 0.325 54.355 54.000 0.050 0.000 0.879 238 D CB 1.452 42.346 40.800 0.158 0.000 1.181 238 D HN 0.321 nan 8.370 nan 0.000 0.448 239 A N 3.141 125.952 122.820 -0.014 0.000 2.292 239 A HA 0.199 4.519 4.320 0.001 0.000 0.265 239 A C 0.775 178.387 177.584 0.047 0.000 1.133 239 A CA -0.452 51.598 52.037 0.023 0.000 0.807 239 A CB 0.223 19.239 19.000 0.028 0.000 1.102 239 A HN 0.530 nan 8.150 nan 0.000 0.502 240 M N -0.055 119.593 119.600 0.081 0.000 2.248 240 M HA 0.236 4.717 4.480 0.001 0.000 0.343 240 M C 1.391 177.719 176.300 0.047 0.000 1.243 240 M CA 1.953 57.291 55.300 0.064 0.000 1.025 240 M CB -0.355 32.298 32.600 0.089 0.000 1.759 240 M HN 1.454 nan 8.290 nan 0.000 0.452 241 G N 3.518 112.338 108.800 0.033 0.000 2.316 241 G HA2 -0.154 3.807 3.960 0.001 0.000 0.203 241 G HA3 -0.154 3.807 3.960 0.001 0.000 0.203 241 G C 0.041 174.984 174.900 0.071 0.000 0.999 241 G CA -0.595 44.530 45.100 0.043 0.000 0.649 241 G HN 0.562 nan 8.290 nan 0.000 0.489 242 I N 2.387 123.004 120.570 0.079 0.000 2.362 242 I HA 0.339 4.509 4.170 0.001 0.000 0.289 242 I C 0.689 176.885 176.117 0.131 0.000 0.994 242 I CA -1.068 60.304 61.300 0.120 0.000 1.158 242 I CB 1.352 39.427 38.000 0.125 0.000 1.315 242 I HN 0.157 nan 8.210 nan 0.000 0.451 243 H N 5.006 124.123 119.070 0.078 0.000 3.038 243 H HA -0.066 4.491 4.556 0.001 0.000 0.338 243 H C 1.134 176.500 175.328 0.063 0.000 1.041 243 H CA 1.198 57.281 56.048 0.058 0.000 1.394 243 H CB 1.278 31.073 29.762 0.054 0.000 1.357 243 H HN 0.861 nan 8.280 nan 0.000 0.600 244 T N 0.734 115.143 114.554 -0.241 0.000 2.778 244 T HA -0.160 4.191 4.350 0.001 0.000 0.269 244 T C 2.065 176.838 174.700 0.122 0.000 1.050 244 T CA 1.186 63.248 62.100 -0.063 0.000 1.137 244 T CB -0.578 68.201 68.868 -0.148 0.000 0.860 244 T HN 0.636 nan 8.240 nan 0.000 0.468 245 G N 0.668 109.708 108.800 0.400 0.000 2.511 245 G HA2 -0.009 3.951 3.960 0.001 0.000 0.217 245 G HA3 -0.009 3.951 3.960 0.001 0.000 0.217 245 G C 1.026 176.028 174.900 0.169 0.000 1.133 245 G CA 0.520 45.788 45.100 0.281 0.000 0.792 245 G HN 0.489 nan 8.290 nan 0.000 0.539 246 D N -0.215 120.337 120.400 0.253 0.000 2.363 246 D HA 0.238 4.879 4.640 0.001 0.000 0.214 246 D C 0.592 177.086 176.300 0.324 0.000 1.093 246 D CA 0.025 54.213 54.000 0.313 0.000 0.837 246 D CB 0.680 41.732 40.800 0.421 0.000 0.948 246 D HN 0.064 nan 8.370 nan 0.000 0.507 247 S N -0.073 115.749 115.700 0.204 0.000 2.608 247 S HA 0.447 4.917 4.470 0.001 0.000 0.291 247 S C 0.393 175.048 174.600 0.092 0.000 1.146 247 S CA -0.669 57.627 58.200 0.160 0.000 1.043 247 S CB 1.639 64.907 63.200 0.114 0.000 1.037 247 S HN 0.050 nan 8.310 nan 0.000 0.520 248 I N 2.860 123.469 120.570 0.065 0.000 2.496 248 I HA 0.225 4.396 4.170 0.001 0.000 0.285 248 I C 0.684 176.803 176.117 0.003 0.000 1.080 248 I CA 0.052 61.315 61.300 -0.063 0.000 1.404 248 I CB 0.814 38.597 38.000 -0.361 0.000 1.403 248 I HN 0.661 nan 8.210 nan 0.000 0.539 249 T N 3.798 118.349 114.554 -0.006 0.000 2.906 249 T HA 0.751 5.102 4.350 0.001 0.000 0.295 249 T C -0.562 174.173 174.700 0.059 0.000 1.061 249 T CA -0.746 61.375 62.100 0.035 0.000 1.000 249 T CB 1.991 70.883 68.868 0.040 0.000 1.103 249 T HN 0.449 nan 8.240 nan 0.000 0.486 250 V N -1.360 118.626 119.914 0.119 0.000 2.962 250 V HA 1.022 5.142 4.120 0.001 0.000 0.313 250 V C -0.606 175.577 176.094 0.148 0.000 1.099 250 V CA -1.176 61.220 62.300 0.160 0.000 0.971 250 V CB 1.269 33.267 31.823 0.292 0.000 1.028 250 V HN 1.571 nan 8.190 nan 0.000 0.430 251 A N 4.631 127.525 122.820 0.123 0.000 2.371 251 A HA 1.038 5.358 4.320 0.001 0.000 0.311 251 A C -2.835 174.794 177.584 0.074 0.000 1.068 251 A CA -1.742 50.354 52.037 0.098 0.000 0.744 251 A CB 1.878 20.924 19.000 0.076 0.000 1.239 251 A HN 0.804 nan 8.150 nan 0.000 0.435 252 P HA 0.520 nan 4.420 nan 0.000 0.321 252 P C -0.002 177.354 177.300 0.093 0.000 1.304 252 P CA -0.350 62.785 63.100 0.058 0.000 0.759 252 P CB 0.760 32.454 31.700 -0.010 0.000 1.385 253 A N 0.361 123.270 122.820 0.149 0.000 2.498 253 A HA 0.082 4.403 4.320 0.001 0.000 0.239 253 A C 1.131 178.719 177.584 0.006 0.000 1.068 253 A CA 0.253 52.414 52.037 0.207 0.000 0.766 253 A CB -0.332 18.871 19.000 0.337 0.000 1.003 253 A HN 0.439 nan 8.150 nan 0.000 0.497 254 Q N 0.594 120.336 119.800 -0.096 0.000 2.471 254 Q HA 0.004 4.345 4.340 0.001 0.000 0.241 254 Q C 1.475 177.152 176.000 -0.538 0.000 0.886 254 Q CA 1.709 57.221 55.803 -0.485 0.000 0.953 254 Q CB -0.061 28.063 28.738 -1.023 0.000 1.108 254 Q HN 0.992 nan 8.270 nan 0.000 0.575 255 T N -1.825 112.546 114.554 -0.304 0.000 3.176 255 T HA 0.433 4.784 4.350 0.001 0.000 0.263 255 T C 0.574 175.212 174.700 -0.104 0.000 1.021 255 T CA -0.150 61.801 62.100 -0.248 0.000 0.905 255 T CB -0.232 68.529 68.868 -0.179 0.000 1.057 255 T HN -0.096 nan 8.240 nan 0.000 0.558 256 L N 2.853 124.024 121.223 -0.087 0.000 2.322 256 L HA 0.496 4.837 4.340 0.001 0.000 0.279 256 L C 0.913 177.728 176.870 -0.091 0.000 1.036 256 L CA -1.038 53.742 54.840 -0.099 0.000 0.807 256 L CB 1.596 43.582 42.059 -0.121 0.000 1.226 256 L HN 0.289 nan 8.230 nan 0.000 0.433 257 T N -2.671 111.832 114.554 -0.085 0.000 2.868 257 T HA 0.024 4.375 4.350 0.001 0.000 0.292 257 T C 0.734 175.404 174.700 -0.049 0.000 1.028 257 T CA -0.551 61.504 62.100 -0.076 0.000 1.059 257 T CB 1.334 70.162 68.868 -0.068 0.000 0.991 257 T HN 0.668 nan 8.240 nan 0.000 0.531 258 D N 0.500 120.866 120.400 -0.057 0.000 2.133 258 D HA -0.144 4.497 4.640 0.001 0.000 0.195 258 D C 1.997 178.300 176.300 0.006 0.000 0.997 258 D CA 1.566 55.547 54.000 -0.033 0.000 0.840 258 D CB -0.069 40.695 40.800 -0.060 0.000 0.947 258 D HN 0.661 nan 8.370 nan 0.000 0.452 259 K N -0.132 120.254 120.400 -0.024 0.000 2.074 259 K HA -0.193 4.128 4.320 0.001 0.000 0.209 259 K C 2.179 178.750 176.600 -0.048 0.000 1.048 259 K CA 1.567 57.836 56.287 -0.032 0.000 0.926 259 K CB -0.104 32.372 32.500 -0.040 0.000 0.713 259 K HN 0.351 nan 8.250 nan 0.000 0.444 260 E N -0.427 119.735 120.200 -0.064 0.000 2.107 260 E HA -0.195 4.156 4.350 0.001 0.000 0.191 260 E C 1.850 178.353 176.600 -0.161 0.000 0.982 260 E CA 0.900 57.227 56.400 -0.122 0.000 0.809 260 E CB -0.173 29.437 29.700 -0.150 0.000 0.756 260 E HN 0.312 nan 8.360 nan 0.000 0.459 261 Y N 1.981 122.153 120.300 -0.214 0.000 2.165 261 Y HA -0.281 4.270 4.550 0.001 0.000 0.286 261 Y C 2.300 178.084 175.900 -0.194 0.000 1.155 261 Y CA 1.588 59.552 58.100 -0.226 0.000 1.164 261 Y CB 0.146 38.500 38.460 -0.177 0.000 0.978 261 Y HN -0.041 nan 8.280 nan 0.000 0.513 262 Q N 0.305 120.105 119.800 0.001 0.000 2.124 262 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 262 Q C 2.442 178.363 176.000 -0.130 0.000 0.977 262 Q CA 1.863 57.643 55.803 -0.038 0.000 0.850 262 Q CB -0.572 28.169 28.738 0.006 0.000 0.901 262 Q HN 0.625 nan 8.270 nan 0.000 0.429 263 I N 0.078 120.557 120.570 -0.151 0.000 2.208 263 I HA -0.282 3.889 4.170 0.001 0.000 0.245 263 I C 2.459 178.427 176.117 -0.249 0.000 1.097 263 I CA 1.125 62.328 61.300 -0.161 0.000 1.363 263 I CB -0.266 37.646 38.000 -0.147 0.000 1.051 263 I HN 0.225 nan 8.210 nan 0.000 0.413 264 M N 0.294 119.640 119.600 -0.422 0.000 2.200 264 M HA -0.197 4.283 4.480 0.001 0.000 0.265 264 M C 2.512 178.497 176.300 -0.525 0.000 1.066 264 M CA 1.525 56.406 55.300 -0.698 0.000 1.127 264 M CB -0.113 31.924 32.600 -0.938 0.000 1.379 264 M HN 0.094 nan 8.290 nan 0.000 0.420 265 R N 0.150 120.387 120.500 -0.439 0.000 2.062 265 R HA -0.122 4.219 4.340 0.001 0.000 0.229 265 R C 1.588 177.810 176.300 -0.129 0.000 1.128 265 R CA 2.108 58.038 56.100 -0.283 0.000 0.960 265 R CB -0.415 29.743 30.300 -0.238 0.000 0.855 265 R HN 0.531 nan 8.270 nan 0.000 0.432 266 N N 0.044 118.678 118.700 -0.109 0.000 2.120 266 N HA -0.171 4.570 4.740 0.001 0.000 0.188 266 N C 1.830 177.331 175.510 -0.015 0.000 1.024 266 N CA 1.094 54.114 53.050 -0.049 0.000 0.852 266 N CB -0.148 38.310 38.487 -0.048 0.000 1.003 266 N HN 0.297 nan 8.380 nan 0.000 0.424 267 A N 0.795 123.605 122.820 -0.016 0.000 1.902 267 A HA -0.124 4.196 4.320 0.001 0.000 0.217 267 A C 2.340 180.037 177.584 0.187 0.000 1.181 267 A CA 1.487 53.578 52.037 0.091 0.000 0.623 267 A CB -0.566 18.520 19.000 0.144 0.000 0.818 267 A HN 0.191 nan 8.150 nan 0.000 0.443 268 S N -0.289 115.534 115.700 0.205 0.000 2.383 268 S HA -0.167 4.304 4.470 0.001 0.000 0.229 268 S C 2.005 176.665 174.600 0.100 0.000 1.030 268 S CA 1.781 60.118 58.200 0.228 0.000 1.002 268 S CB -0.394 62.909 63.200 0.171 0.000 0.829 268 S HN 0.588 nan 8.310 nan 0.000 0.467 269 M N 0.967 120.599 119.600 0.053 0.000 2.156 269 M HA -0.031 4.450 4.480 0.001 0.000 0.264 269 M C 2.575 178.893 176.300 0.031 0.000 1.067 269 M CA 1.295 56.614 55.300 0.030 0.000 1.131 269 M CB -0.652 31.956 32.600 0.013 0.000 1.368 269 M HN 0.392 nan 8.290 nan 0.000 0.416 270 A N 0.022 122.861 122.820 0.032 0.000 1.972 270 A HA -0.094 4.227 4.320 0.001 0.000 0.219 270 A C 2.257 179.850 177.584 0.014 0.000 1.169 270 A CA 1.496 53.545 52.037 0.020 0.000 0.635 270 A CB -0.908 18.104 19.000 0.020 0.000 0.810 270 A HN 0.302 nan 8.150 nan 0.000 0.446 271 V N -0.551 119.385 119.914 0.036 0.000 2.307 271 V HA -0.218 3.903 4.120 0.001 0.000 0.245 271 V C 2.498 178.612 176.094 0.033 0.000 1.045 271 V CA 1.926 64.243 62.300 0.029 0.000 1.024 271 V CB -0.696 31.171 31.823 0.073 0.000 0.651 271 V HN 0.505 nan 8.190 nan 0.000 0.449 272 L N -0.405 120.843 121.223 0.041 0.000 2.083 272 L HA -0.134 4.207 4.340 0.001 0.000 0.209 272 L C 2.567 179.450 176.870 0.023 0.000 1.083 272 L CA 1.860 56.721 54.840 0.036 0.000 0.752 272 L CB -0.651 41.428 42.059 0.033 0.000 0.899 272 L HN 0.201 nan 8.230 nan 0.000 0.433 273 R N -0.962 119.548 120.500 0.016 0.000 2.115 273 R HA -0.170 4.170 4.340 0.001 0.000 0.230 273 R C 2.133 178.433 176.300 -0.001 0.000 1.111 273 R CA 1.115 57.220 56.100 0.009 0.000 0.976 273 R CB -0.118 30.186 30.300 0.007 0.000 0.870 273 R HN 0.246 nan 8.270 nan 0.000 0.445 274 E N 0.670 120.863 120.200 -0.011 0.000 2.170 274 E HA -0.062 4.289 4.350 0.001 0.000 0.191 274 E C 1.413 177.997 176.600 -0.027 0.000 0.981 274 E CA 0.821 57.202 56.400 -0.031 0.000 0.830 274 E CB 0.068 29.730 29.700 -0.064 0.000 0.775 274 E HN 0.091 nan 8.360 nan 0.000 0.470 275 I N 0.003 120.568 120.570 -0.008 0.000 2.617 275 I HA 0.147 4.318 4.170 0.001 0.000 0.256 275 I C 1.528 177.657 176.117 0.019 0.000 1.167 275 I CA 1.315 62.624 61.300 0.016 0.000 1.469 275 I CB 0.028 38.069 38.000 0.067 0.000 1.098 275 I HN 0.351 nan 8.210 nan 0.000 0.436 276 G N 0.197 109.007 108.800 0.016 0.000 2.141 276 G HA2 -0.174 3.786 3.960 0.001 0.000 0.195 276 G HA3 -0.174 3.786 3.960 0.001 0.000 0.195 276 G C 0.129 175.042 174.900 0.021 0.000 1.012 276 G CA -0.054 45.056 45.100 0.016 0.000 0.696 276 G HN 0.111 nan 8.290 nan 0.000 0.508 277 V N 0.331 120.260 119.914 0.025 0.000 2.408 277 V HA 0.415 4.536 4.120 0.001 0.000 0.267 277 V C 1.078 177.187 176.094 0.026 0.000 1.047 277 V CA 0.688 63.004 62.300 0.026 0.000 0.937 277 V CB 1.368 33.208 31.823 0.028 0.000 0.999 277 V HN 0.494 nan 8.190 nan 0.000 0.472 278 E N 2.064 122.279 120.200 0.026 0.000 2.572 278 E HA 0.097 4.447 4.350 0.001 0.000 0.220 278 E C 0.388 177.008 176.600 0.034 0.000 0.945 278 E CA 0.322 56.739 56.400 0.028 0.000 1.070 278 E CB 0.961 30.675 29.700 0.023 0.000 1.090 278 E HN 0.830 nan 8.360 nan 0.000 0.506 279 T N -1.771 112.804 114.554 0.035 0.000 3.734 279 T HA 0.653 5.003 4.350 0.001 0.000 0.238 279 T C 0.101 174.828 174.700 0.046 0.000 1.205 279 T CA -0.254 61.872 62.100 0.042 0.000 1.606 279 T CB 0.925 69.814 68.868 0.034 0.000 0.832 279 T HN 0.153 nan 8.240 nan 0.000 0.655 280 G N -0.072 108.759 108.800 0.051 0.000 2.367 280 G HA2 0.581 4.541 3.960 0.001 0.000 0.272 280 G HA3 0.581 4.541 3.960 0.001 0.000 0.272 280 G C -0.558 174.372 174.900 0.050 0.000 1.271 280 G CA -0.155 44.977 45.100 0.055 0.000 0.893 280 G HN 0.740 nan 8.290 nan 0.000 0.485 281 G N -1.223 107.607 108.800 0.049 0.000 2.597 281 G HA2 0.764 4.725 3.960 0.001 0.000 0.317 281 G HA3 0.764 4.725 3.960 0.001 0.000 0.317 281 G C -0.728 174.192 174.900 0.033 0.000 1.230 281 G CA 0.259 45.382 45.100 0.038 0.000 0.996 281 G HN 1.448 nan 8.290 nan 0.000 0.490 282 S N -0.780 114.935 115.700 0.025 0.000 2.543 282 S HA 0.292 4.762 4.470 0.001 0.000 0.274 282 S C -1.114 173.496 174.600 0.017 0.000 1.149 282 S CA -0.911 57.302 58.200 0.021 0.000 0.866 282 S CB 1.741 64.952 63.200 0.018 0.000 1.111 282 S HN 0.761 nan 8.310 nan 0.000 0.457 283 N N 1.835 120.542 118.700 0.011 0.000 2.422 283 N HA 0.451 5.192 4.740 0.001 0.000 0.266 283 N C -1.296 174.198 175.510 -0.027 0.000 1.007 283 N CA -0.151 52.903 53.050 0.007 0.000 0.941 283 N CB 0.955 39.449 38.487 0.011 0.000 1.115 283 N HN 0.371 nan 8.380 nan 0.000 0.492 284 V N 3.559 123.466 119.914 -0.011 0.000 2.417 284 V HA 0.318 4.438 4.120 0.001 0.000 0.291 284 V C -0.091 175.907 176.094 -0.160 0.000 1.024 284 V CA -0.752 61.486 62.300 -0.104 0.000 0.861 284 V CB 1.548 33.348 31.823 -0.039 0.000 0.985 284 V HN 0.633 nan 8.190 nan 0.000 0.436 285 Q N 3.397 122.988 119.800 -0.348 0.000 2.274 285 Q HA 0.748 5.089 4.340 0.001 0.000 0.260 285 Q C -1.555 174.137 176.000 -0.513 0.000 0.974 285 Q CA -0.312 55.343 55.803 -0.248 0.000 0.876 285 Q CB 2.500 31.137 28.738 -0.170 0.000 1.297 285 Q HN 0.667 nan 8.270 nan 0.000 0.446 286 F N -0.139 119.870 119.950 0.099 0.000 2.629 286 F HA 0.762 5.290 4.527 0.001 0.000 0.316 286 F C -0.497 175.425 175.800 0.203 0.000 1.081 286 F CA -1.158 56.925 58.000 0.139 0.000 0.954 286 F CB 1.713 40.793 39.000 0.133 0.000 1.337 286 F HN 0.502 nan 8.300 nan 0.000 0.474 287 A N 1.022 124.120 122.820 0.463 0.000 2.343 287 A HA 0.828 5.149 4.320 0.001 0.000 0.316 287 A C -1.724 176.206 177.584 0.577 0.000 1.104 287 A CA -0.711 51.610 52.037 0.473 0.000 0.768 287 A CB 1.423 20.649 19.000 0.376 0.000 1.213 287 A HN 0.525 nan 8.150 nan 0.000 0.456 288 V N 3.117 123.346 119.914 0.524 0.000 2.487 288 V HA 0.288 4.408 4.120 0.001 0.000 0.298 288 V C -0.221 175.809 176.094 -0.107 0.000 1.028 288 V CA -0.935 61.516 62.300 0.251 0.000 0.860 288 V CB 1.799 33.739 31.823 0.195 0.000 0.991 288 V HN 0.912 nan 8.190 nan 0.000 0.427 289 N N 7.706 125.969 118.700 -0.729 0.000 2.405 289 N HA 0.202 4.943 4.740 0.001 0.000 0.260 289 N C -1.377 173.802 175.510 -0.551 0.000 1.152 289 N CA -1.834 50.379 53.050 -1.397 0.000 0.948 289 N CB 1.801 39.255 38.487 -1.721 0.000 1.111 289 N HN 0.297 nan 8.380 nan 0.000 0.485 290 P HA -0.129 nan 4.420 nan 0.000 0.221 290 P C 0.520 177.732 177.300 -0.148 0.000 1.145 290 P CA 1.317 64.336 63.100 -0.135 0.000 0.795 290 P CB 0.431 32.123 31.700 -0.013 0.000 0.775 291 K N -0.235 120.047 120.400 -0.196 0.000 2.288 291 K HA -0.059 4.262 4.320 0.001 0.000 0.201 291 K C 0.891 177.416 176.600 -0.125 0.000 1.048 291 K CA 1.344 57.552 56.287 -0.132 0.000 0.956 291 K CB -0.165 32.276 32.500 -0.098 0.000 0.746 291 K HN 0.294 nan 8.250 nan 0.000 0.461 292 N N -2.704 115.897 118.700 -0.166 0.000 1.997 292 N HA 0.087 4.827 4.740 0.001 0.000 0.225 292 N C 0.532 175.968 175.510 -0.122 0.000 1.383 292 N CA 0.276 53.253 53.050 -0.121 0.000 0.770 292 N CB 0.608 39.035 38.487 -0.100 0.000 1.178 292 N HN 0.033 nan 8.380 nan 0.000 0.515 293 G N 1.044 109.752 108.800 -0.154 0.000 2.168 293 G HA2 -0.412 3.549 3.960 0.001 0.000 0.263 293 G HA3 -0.412 3.549 3.960 0.001 0.000 0.263 293 G C 0.028 174.859 174.900 -0.116 0.000 0.977 293 G CA 0.294 45.316 45.100 -0.130 0.000 0.659 293 G HN 0.674 nan 8.290 nan 0.000 0.533 294 R N -0.117 120.298 120.500 -0.142 0.000 2.486 294 R HA 0.297 4.637 4.340 0.001 0.000 0.303 294 R C 0.037 176.373 176.300 0.059 0.000 0.958 294 R CA -0.187 55.890 56.100 -0.038 0.000 1.077 294 R CB 0.006 30.302 30.300 -0.006 0.000 0.921 294 R HN 0.354 nan 8.270 nan 0.000 0.406 295 L N 6.542 127.830 121.223 0.109 0.000 2.295 295 L HA 0.493 4.834 4.340 0.001 0.000 0.285 295 L C -0.945 176.091 176.870 0.277 0.000 1.035 295 L CA -0.221 54.722 54.840 0.171 0.000 0.806 295 L CB 1.378 43.463 42.059 0.043 0.000 1.214 295 L HN 0.620 nan 8.230 nan 0.000 0.426 296 I N 5.072 125.864 120.570 0.371 0.000 2.498 296 I HA 0.395 4.566 4.170 0.001 0.000 0.290 296 I C -0.689 175.599 176.117 0.286 0.000 1.032 296 I CA -0.944 60.530 61.300 0.290 0.000 1.073 296 I CB 2.261 40.398 38.000 0.229 0.000 1.251 296 I HN 0.278 nan 8.210 nan 0.000 0.426 297 V N 6.415 126.440 119.914 0.184 0.000 2.649 297 V HA 0.220 4.341 4.120 0.001 0.000 0.292 297 V C 0.812 176.915 176.094 0.016 0.000 1.055 297 V CA -0.199 62.113 62.300 0.021 0.000 1.023 297 V CB 1.573 33.403 31.823 0.012 0.000 0.992 297 V HN 0.577 nan 8.190 nan 0.000 0.480 298 I N 1.946 122.449 120.570 -0.111 0.000 3.132 298 I HA 0.280 4.451 4.170 0.001 0.000 0.255 298 I C 0.829 176.811 176.117 -0.224 0.000 1.118 298 I CA 0.800 62.034 61.300 -0.111 0.000 1.463 298 I CB -0.049 37.879 38.000 -0.120 0.000 1.356 298 I HN 0.999 nan 8.210 nan 0.000 0.463 299 E N 1.038 121.014 120.200 -0.372 0.000 2.432 299 E HA 0.508 4.859 4.350 0.001 0.000 0.279 299 E C -0.958 175.294 176.600 -0.579 0.000 1.099 299 E CA -0.889 55.083 56.400 -0.713 0.000 0.859 299 E CB 1.859 31.245 29.700 -0.525 0.000 1.402 299 E HN 0.046 nan 8.360 nan 0.000 0.451 300 M N 0.837 120.034 119.600 -0.671 0.000 2.378 300 M HA 0.580 5.061 4.480 0.001 0.000 0.289 300 M C -2.072 174.082 176.300 -0.244 0.000 1.136 300 M CA -0.486 54.635 55.300 -0.299 0.000 0.917 300 M CB 2.341 34.906 32.600 -0.058 0.000 1.669 300 M HN 0.366 nan 8.290 nan 0.000 0.461 301 N N 4.394 123.012 118.700 -0.137 0.000 2.469 301 N HA 0.395 5.136 4.740 0.001 0.000 0.253 301 N C -2.535 172.949 175.510 -0.043 0.000 0.970 301 N CA -1.223 51.771 53.050 -0.095 0.000 0.940 301 N CB 1.645 40.100 38.487 -0.053 0.000 1.128 301 N HN 0.568 nan 8.380 nan 0.000 0.503 302 P HA 0.066 nan 4.420 nan 0.000 0.246 302 P C -0.480 176.822 177.300 0.003 0.000 1.686 302 P CA 0.292 63.385 63.100 -0.012 0.000 0.867 302 P CB -0.080 31.610 31.700 -0.016 0.000 1.733 303 R N -2.347 118.164 120.500 0.019 0.000 2.921 303 R HA 0.517 4.857 4.340 0.001 0.000 0.268 303 R C -0.605 175.746 176.300 0.085 0.000 1.008 303 R CA -1.108 55.017 56.100 0.041 0.000 0.876 303 R CB 0.028 30.341 30.300 0.022 0.000 1.395 303 R HN -0.175 nan 8.270 nan 0.000 0.443 304 V N -0.322 119.671 119.914 0.131 0.000 3.003 304 V HA 0.734 4.855 4.120 0.001 0.000 0.305 304 V C 0.093 176.369 176.094 0.303 0.000 1.078 304 V CA 0.189 62.603 62.300 0.190 0.000 1.083 304 V CB 1.142 33.087 31.823 0.202 0.000 1.039 304 V HN 0.982 nan 8.190 nan 0.000 0.481 305 S N 2.481 118.324 115.700 0.239 0.000 2.776 305 S HA 0.495 4.965 4.470 0.001 0.000 0.292 305 S C 0.690 175.303 174.600 0.022 0.000 1.187 305 S CA -0.512 57.819 58.200 0.218 0.000 0.834 305 S CB 1.638 64.927 63.200 0.148 0.000 1.199 305 S HN 1.082 nan 8.310 nan 0.000 0.514 306 R N 0.241 120.725 120.500 -0.026 0.000 2.148 306 R HA 0.081 4.421 4.340 0.001 0.000 0.227 306 R C 1.550 177.842 176.300 -0.014 0.000 1.103 306 R CA 1.711 57.756 56.100 -0.093 0.000 0.983 306 R CB -0.840 29.415 30.300 -0.075 0.000 0.874 306 R HN 0.424 nan 8.270 nan 0.000 0.451 307 S N 1.023 116.741 115.700 0.030 0.000 2.395 307 S HA -0.091 4.380 4.470 0.001 0.000 0.225 307 S C 1.998 176.632 174.600 0.057 0.000 1.027 307 S CA 1.216 59.441 58.200 0.042 0.000 0.965 307 S CB 0.020 63.248 63.200 0.047 0.000 0.812 307 S HN 0.663 nan 8.310 nan 0.000 0.482 308 S N 2.012 117.756 115.700 0.074 0.000 2.406 308 S HA 0.078 4.549 4.470 0.001 0.000 0.228 308 S C 2.025 176.707 174.600 0.136 0.000 1.020 308 S CA 0.842 59.101 58.200 0.097 0.000 0.965 308 S CB -0.488 62.776 63.200 0.107 0.000 0.798 308 S HN 0.457 nan 8.310 nan 0.000 0.488 309 A N 2.013 124.910 122.820 0.128 0.000 1.902 309 A HA 0.095 4.415 4.320 0.001 0.000 0.217 309 A C 2.237 179.854 177.584 0.055 0.000 1.181 309 A CA 1.544 53.673 52.037 0.154 0.000 0.623 309 A CB -0.915 18.116 19.000 0.052 0.000 0.818 309 A HN 0.566 nan 8.150 nan 0.000 0.443 310 L N -0.135 121.108 121.223 0.033 0.000 2.017 310 L HA -0.057 4.283 4.340 0.001 0.000 0.208 310 L C 2.604 179.507 176.870 0.054 0.000 1.073 310 L CA 2.325 57.181 54.840 0.028 0.000 0.745 310 L CB -0.820 41.254 42.059 0.025 0.000 0.894 310 L HN 0.322 nan 8.230 nan 0.000 0.432 311 A N -1.208 121.656 122.820 0.074 0.000 1.908 311 A HA -0.202 4.119 4.320 0.001 0.000 0.218 311 A C 2.378 180.045 177.584 0.138 0.000 1.181 311 A CA 2.086 54.174 52.037 0.084 0.000 0.627 311 A CB -1.018 18.019 19.000 0.062 0.000 0.818 311 A HN 0.570 nan 8.150 nan 0.000 0.445 312 S N -0.346 115.466 115.700 0.186 0.000 2.368 312 S HA -0.117 4.354 4.470 0.001 0.000 0.225 312 S C 2.040 176.810 174.600 0.282 0.000 1.030 312 S CA 1.569 59.941 58.200 0.288 0.000 0.999 312 S CB -0.204 63.220 63.200 0.374 0.000 0.844 312 S HN 0.447 nan 8.310 nan 0.000 0.459 313 K N 2.017 122.520 120.400 0.172 0.000 2.097 313 K HA 0.191 4.511 4.320 0.001 0.000 0.205 313 K C 2.135 178.826 176.600 0.151 0.000 1.050 313 K CA 1.221 57.599 56.287 0.152 0.000 0.938 313 K CB -1.005 31.507 32.500 0.019 0.000 0.718 313 K HN 0.322 nan 8.250 nan 0.000 0.442 314 A N 0.208 123.079 122.820 0.086 0.000 1.930 314 A HA -0.135 4.185 4.320 0.001 0.000 0.217 314 A C 2.150 179.853 177.584 0.198 0.000 1.175 314 A CA 2.397 54.482 52.037 0.081 0.000 0.627 314 A CB -0.731 18.314 19.000 0.074 0.000 0.815 314 A HN 0.483 nan 8.150 nan 0.000 0.443 315 T N -5.795 108.892 114.554 0.221 0.000 3.015 315 T HA 0.425 4.776 4.350 0.001 0.000 0.250 315 T C 1.437 176.337 174.700 0.333 0.000 1.057 315 T CA 1.134 63.382 62.100 0.246 0.000 1.066 315 T CB 0.372 69.356 68.868 0.193 0.000 0.959 315 T HN 1.701 nan 8.240 nan 0.000 0.488 316 G N 1.140 110.191 108.800 0.417 0.000 2.175 316 G HA2 -0.195 3.765 3.960 0.001 0.000 0.244 316 G HA3 -0.195 3.765 3.960 0.001 0.000 0.244 316 G C -0.230 174.946 174.900 0.459 0.000 0.982 316 G CA -0.049 45.337 45.100 0.477 0.000 0.641 316 G HN 0.626 nan 8.290 nan 0.000 0.527 317 F N 3.656 123.773 119.950 0.279 0.000 2.371 317 F HA 0.605 5.132 4.527 0.001 0.000 0.363 317 F C -1.961 173.979 175.800 0.234 0.000 1.122 317 F CA -3.336 54.801 58.000 0.230 0.000 1.129 317 F CB 1.625 40.690 39.000 0.108 0.000 1.173 317 F HN -0.065 nan 8.300 nan 0.000 0.489 318 P HA 0.127 nan 4.420 nan 0.000 0.244 318 P C 1.279 178.764 177.300 0.308 0.000 1.769 318 P CA 0.310 63.583 63.100 0.289 0.000 1.102 318 P CB -0.107 31.683 31.700 0.151 0.000 1.937 319 I N 1.673 122.530 120.570 0.479 0.000 2.113 319 I HA -0.369 3.801 4.170 0.001 0.000 0.242 319 I C 2.327 178.569 176.117 0.208 0.000 1.057 319 I CA 2.096 63.630 61.300 0.391 0.000 1.314 319 I CB -0.816 37.325 38.000 0.234 0.000 1.022 319 I HN 0.192 nan 8.210 nan 0.000 0.408 320 A N 0.276 123.160 122.820 0.106 0.000 1.902 320 A HA -0.244 4.077 4.320 0.001 0.000 0.217 320 A C 2.352 179.935 177.584 -0.002 0.000 1.181 320 A CA 1.847 53.895 52.037 0.018 0.000 0.623 320 A CB -0.489 18.458 19.000 -0.088 0.000 0.818 320 A HN 0.326 nan 8.150 nan 0.000 0.443 321 K N -0.608 119.781 120.400 -0.018 0.000 2.002 321 K HA -0.093 4.227 4.320 0.001 0.000 0.209 321 K C 1.873 178.473 176.600 -0.000 0.000 1.048 321 K CA 1.619 57.889 56.287 -0.030 0.000 0.930 321 K CB -0.317 32.159 32.500 -0.040 0.000 0.714 321 K HN 0.239 nan 8.250 nan 0.000 0.438 322 V N 0.841 120.778 119.914 0.038 0.000 2.343 322 V HA -0.249 3.871 4.120 0.001 0.000 0.247 322 V C 2.221 178.370 176.094 0.092 0.000 1.051 322 V CA 2.033 64.372 62.300 0.064 0.000 1.036 322 V CB -0.524 31.394 31.823 0.158 0.000 0.654 322 V HN 0.445 nan 8.190 nan 0.000 0.451 323 A N -0.239 122.643 122.820 0.103 0.000 1.930 323 A HA -0.047 4.274 4.320 0.001 0.000 0.217 323 A C 2.422 180.040 177.584 0.056 0.000 1.175 323 A CA 1.813 53.901 52.037 0.086 0.000 0.627 323 A CB -0.667 18.382 19.000 0.082 0.000 0.815 323 A HN 0.552 nan 8.150 nan 0.000 0.443 324 A N 0.292 123.132 122.820 0.033 0.000 1.865 324 A HA -0.209 4.112 4.320 0.001 0.000 0.217 324 A C 2.089 179.691 177.584 0.031 0.000 1.191 324 A CA 1.857 53.902 52.037 0.012 0.000 0.623 324 A CB -0.515 18.482 19.000 -0.006 0.000 0.826 324 A HN 0.515 nan 8.150 nan 0.000 0.444 325 K N -1.055 119.375 120.400 0.050 0.000 2.211 325 K HA -0.097 4.224 4.320 0.001 0.000 0.204 325 K C 1.582 178.328 176.600 0.243 0.000 1.047 325 K CA 1.068 57.429 56.287 0.125 0.000 0.935 325 K CB -0.271 32.188 32.500 -0.069 0.000 0.728 325 K HN 0.311 nan 8.250 nan 0.000 0.452 326 L N 0.273 121.584 121.223 0.147 0.000 2.270 326 L HA 0.024 4.364 4.340 0.001 0.000 0.210 326 L C 2.176 179.102 176.870 0.093 0.000 1.104 326 L CA 1.105 56.033 54.840 0.146 0.000 0.804 326 L CB -0.638 41.487 42.059 0.112 0.000 0.937 326 L HN 0.060 nan 8.230 nan 0.000 0.450 327 A N -0.591 122.263 122.820 0.057 0.000 2.067 327 A HA -0.069 4.252 4.320 0.001 0.000 0.219 327 A C 1.513 179.086 177.584 -0.019 0.000 1.158 327 A CA 1.392 53.436 52.037 0.012 0.000 0.661 327 A CB -0.645 18.349 19.000 -0.010 0.000 0.801 327 A HN 0.265 nan 8.150 nan 0.000 0.452 328 V N -4.206 115.702 119.914 -0.009 0.000 2.955 328 V HA 0.632 4.752 4.120 0.001 0.000 0.379 328 V C 1.000 177.067 176.094 -0.045 0.000 1.288 328 V CA 0.337 62.599 62.300 -0.064 0.000 1.358 328 V CB -0.993 30.693 31.823 -0.228 0.000 1.406 328 V HN 1.266 nan 8.190 nan 0.000 0.569 329 G N 0.049 108.833 108.800 -0.027 0.000 2.336 329 G HA2 -0.331 3.630 3.960 0.001 0.000 0.233 329 G HA3 -0.331 3.630 3.960 0.001 0.000 0.233 329 G C 0.052 174.902 174.900 -0.083 0.000 1.053 329 G CA 0.273 45.324 45.100 -0.082 0.000 0.625 329 G HN 0.623 nan 8.290 nan 0.000 0.511 330 Y N 2.718 123.047 120.300 0.048 0.000 2.652 330 Y HA 0.364 4.914 4.550 0.001 0.000 0.344 330 Y C 1.669 177.597 175.900 0.048 0.000 1.254 330 Y CA 1.010 59.140 58.100 0.050 0.000 1.480 330 Y CB 0.579 39.071 38.460 0.054 0.000 1.345 330 Y HN 0.370 nan 8.280 nan 0.000 0.617 331 T N -0.972 113.728 114.554 0.244 0.000 2.950 331 T HA 0.390 4.740 4.350 0.001 0.000 0.288 331 T C 0.865 175.660 174.700 0.158 0.000 1.035 331 T CA -0.970 61.225 62.100 0.159 0.000 1.028 331 T CB 1.094 70.027 68.868 0.108 0.000 1.109 331 T HN 0.624 nan 8.240 nan 0.000 0.514 332 L N 0.834 122.138 121.223 0.134 0.000 2.046 332 L HA -0.082 4.258 4.340 0.001 0.000 0.208 332 L C 2.611 179.556 176.870 0.126 0.000 1.077 332 L CA 1.716 56.641 54.840 0.142 0.000 0.747 332 L CB -0.635 41.519 42.059 0.158 0.000 0.896 332 L HN 0.831 nan 8.230 nan 0.000 0.432 333 D N -0.150 120.317 120.400 0.112 0.000 2.263 333 D HA -0.229 4.412 4.640 0.001 0.000 0.208 333 D C 1.504 177.851 176.300 0.078 0.000 0.971 333 D CA 1.154 55.208 54.000 0.090 0.000 0.867 333 D CB -0.246 40.601 40.800 0.078 0.000 0.929 333 D HN 0.459 nan 8.370 nan 0.000 0.492 334 E N -0.279 119.981 120.200 0.100 0.000 2.385 334 E HA 0.175 4.525 4.350 0.001 0.000 0.194 334 E C 0.486 177.122 176.600 0.059 0.000 1.013 334 E CA -0.099 56.365 56.400 0.107 0.000 0.866 334 E CB 0.419 30.241 29.700 0.203 0.000 0.832 334 E HN 0.320 nan 8.360 nan 0.000 0.500 335 L N 1.226 122.468 121.223 0.032 0.000 2.379 335 L HA 0.334 4.675 4.340 0.001 0.000 0.269 335 L C 0.220 177.068 176.870 -0.035 0.000 1.084 335 L CA -0.602 54.213 54.840 -0.040 0.000 0.802 335 L CB 0.739 42.769 42.059 -0.049 0.000 1.175 335 L HN -0.017 nan 8.230 nan 0.000 0.448 336 M N 1.456 121.014 119.600 -0.069 0.000 2.537 336 M HA 0.264 4.744 4.480 0.001 0.000 0.324 336 M C -0.430 175.811 176.300 -0.099 0.000 1.187 336 M CA -0.782 54.471 55.300 -0.078 0.000 0.993 336 M CB 1.312 33.864 32.600 -0.080 0.000 1.666 336 M HN 0.403 nan 8.290 nan 0.000 0.461 337 N N 1.738 120.364 118.700 -0.124 0.000 2.405 337 N HA 0.031 4.771 4.740 0.001 0.000 0.260 337 N C 0.344 175.781 175.510 -0.122 0.000 1.152 337 N CA 0.345 53.317 53.050 -0.130 0.000 0.948 337 N CB 0.443 38.809 38.487 -0.201 0.000 1.111 337 N HN 0.404 nan 8.380 nan 0.000 0.485 338 D N 2.617 122.960 120.400 -0.095 0.000 2.205 338 D HA -0.261 4.379 4.640 0.001 0.000 0.190 338 D C 1.816 178.049 176.300 -0.112 0.000 1.002 338 D CA 1.774 55.740 54.000 -0.056 0.000 0.848 338 D CB -0.280 40.551 40.800 0.053 0.000 0.975 338 D HN 0.791 nan 8.370 nan 0.000 0.449 339 I N -0.289 120.179 120.570 -0.169 0.000 2.530 339 I HA -0.158 4.012 4.170 0.001 0.000 0.257 339 I C 0.749 176.805 176.117 -0.103 0.000 1.179 339 I CA 1.625 62.808 61.300 -0.195 0.000 1.440 339 I CB -0.480 37.334 38.000 -0.312 0.000 1.087 339 I HN -0.039 nan 8.210 nan 0.000 0.440 340 T N -1.396 113.095 114.554 -0.105 0.000 3.268 340 T HA 0.533 4.884 4.350 0.001 0.000 0.244 340 T C 1.279 175.922 174.700 -0.094 0.000 0.915 340 T CA 0.003 62.045 62.100 -0.096 0.000 0.935 340 T CB -0.158 68.593 68.868 -0.194 0.000 1.110 340 T HN 0.664 nan 8.240 nan 0.000 0.573 341 G N 1.018 109.773 108.800 -0.074 0.000 2.186 341 G HA2 -0.080 3.880 3.960 0.001 0.000 0.266 341 G HA3 -0.080 3.880 3.960 0.001 0.000 0.266 341 G C 1.087 175.946 174.900 -0.069 0.000 0.982 341 G CA 0.229 45.295 45.100 -0.057 0.000 0.670 341 G HN 1.903 nan 8.290 nan 0.000 0.533 342 G N -1.377 107.363 108.800 -0.099 0.000 2.198 342 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 342 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 342 G C 0.875 175.710 174.900 -0.110 0.000 1.025 342 G CA 1.235 46.274 45.100 -0.102 0.000 0.769 342 G HN 0.928 nan 8.290 nan 0.000 0.507 343 R N -0.104 120.312 120.500 -0.139 0.000 2.173 343 R HA 0.226 4.566 4.340 0.001 0.000 0.208 343 R C 1.932 178.099 176.300 -0.221 0.000 1.035 343 R CA 1.582 57.598 56.100 -0.139 0.000 1.004 343 R CB 0.075 30.310 30.300 -0.109 0.000 0.917 343 R HN 0.682 nan 8.270 nan 0.000 0.462 344 T N -1.643 112.712 114.554 -0.332 0.000 2.940 344 T HA 0.596 4.946 4.350 0.001 0.000 0.288 344 T C -2.749 171.771 174.700 -0.300 0.000 1.033 344 T CA -2.569 59.269 62.100 -0.436 0.000 1.033 344 T CB 2.598 70.969 68.868 -0.828 0.000 1.079 344 T HN -0.220 nan 8.240 nan 0.000 0.496 345 P HA 0.379 nan 4.420 nan 0.000 0.278 345 P C 0.398 177.737 177.300 0.065 0.000 1.266 345 P CA -0.626 62.437 63.100 -0.062 0.000 0.807 345 P CB 0.593 32.297 31.700 0.006 0.000 1.094 346 A N 0.633 123.541 122.820 0.147 0.000 2.119 346 A HA -0.003 4.318 4.320 0.001 0.000 0.216 346 A C 1.132 179.002 177.584 0.475 0.000 1.152 346 A CA 0.738 52.949 52.037 0.290 0.000 0.708 346 A CB -1.252 17.808 19.000 0.100 0.000 0.805 346 A HN 0.578 nan 8.150 nan 0.000 0.460 347 S N 0.678 116.583 115.700 0.343 0.000 3.919 347 S HA 0.532 5.002 4.470 0.001 0.000 0.245 347 S C -0.334 174.496 174.600 0.382 0.000 1.344 347 S CA -0.513 57.859 58.200 0.287 0.000 0.896 347 S CB -1.376 61.931 63.200 0.178 0.000 1.557 347 S HN 0.784 nan 8.310 nan 0.000 0.468 348 F N -1.705 118.334 119.950 0.149 0.000 2.773 348 F HA 0.665 5.193 4.527 0.001 0.000 0.314 348 F C -1.242 174.628 175.800 0.117 0.000 1.160 348 F CA -1.299 56.769 58.000 0.114 0.000 0.920 348 F CB 0.848 39.905 39.000 0.095 0.000 1.323 348 F HN 0.153 nan 8.300 nan 0.000 0.457 349 E N 2.313 122.439 120.200 -0.123 0.000 2.151 349 E HA 0.428 4.779 4.350 0.001 0.000 0.275 349 E C -2.599 173.875 176.600 -0.210 0.000 0.936 349 E CA -2.020 54.217 56.400 -0.273 0.000 0.777 349 E CB 1.707 31.367 29.700 -0.067 0.000 1.108 349 E HN 0.307 nan 8.360 nan 0.000 0.401 350 P HA 0.016 nan 4.420 nan 0.000 0.272 350 P C -0.912 176.420 177.300 0.053 0.000 1.223 350 P CA -0.107 62.997 63.100 0.007 0.000 0.784 350 P CB 0.808 32.506 31.700 -0.002 0.000 0.923 351 S N 1.654 117.422 115.700 0.113 0.000 2.594 351 S HA 0.695 5.165 4.470 0.001 0.000 0.296 351 S C -0.518 174.050 174.600 -0.053 0.000 1.124 351 S CA -0.757 57.453 58.200 0.018 0.000 1.011 351 S CB -0.147 63.078 63.200 0.042 0.000 1.016 351 S HN 0.348 nan 8.310 nan 0.000 0.485 352 I N 1.789 122.241 120.570 -0.197 0.000 2.603 352 I HA 0.692 4.862 4.170 0.001 0.000 0.300 352 I C -0.691 175.158 176.117 -0.446 0.000 1.017 352 I CA -0.898 60.122 61.300 -0.468 0.000 1.098 352 I CB 2.142 39.621 38.000 -0.867 0.000 1.279 352 I HN 0.498 nan 8.210 nan 0.000 0.437 353 D N 4.692 124.802 120.400 -0.484 0.000 2.894 353 D HA 0.282 4.923 4.640 0.001 0.000 0.273 353 D C -0.594 175.694 176.300 -0.019 0.000 1.328 353 D CA -0.179 53.723 54.000 -0.164 0.000 0.845 353 D CB -0.313 40.494 40.800 0.012 0.000 1.072 353 D HN 0.765 nan 8.370 nan 0.000 0.484 354 Y N -3.568 116.733 120.300 0.002 0.000 2.895 354 Y HA 0.639 5.190 4.550 0.001 0.000 0.339 354 Y C -1.684 174.191 175.900 -0.043 0.000 1.363 354 Y CA -1.694 56.386 58.100 -0.033 0.000 1.085 354 Y CB 0.746 39.101 38.460 -0.174 0.000 1.500 354 Y HN -0.213 nan 8.280 nan 0.000 0.442 355 V N 2.040 122.106 119.914 0.254 0.000 2.487 355 V HA 0.613 4.734 4.120 0.001 0.000 0.298 355 V C -0.761 175.423 176.094 0.151 0.000 1.028 355 V CA -0.839 61.571 62.300 0.182 0.000 0.860 355 V CB 1.418 33.351 31.823 0.183 0.000 0.991 355 V HN 0.638 nan 8.190 nan 0.000 0.427 356 V N 3.738 123.734 119.914 0.136 0.000 2.435 356 V HA 0.592 4.713 4.120 0.001 0.000 0.290 356 V C 0.184 176.316 176.094 0.062 0.000 1.030 356 V CA -0.199 62.135 62.300 0.055 0.000 0.881 356 V CB 1.925 33.779 31.823 0.051 0.000 0.983 356 V HN 0.964 nan 8.190 nan 0.000 0.445 357 T N 4.967 119.539 114.554 0.031 0.000 2.841 357 T HA 0.477 4.827 4.350 0.001 0.000 0.283 357 T C -0.609 174.094 174.700 0.006 0.000 1.000 357 T CA -0.711 61.406 62.100 0.027 0.000 0.977 357 T CB 1.737 70.613 68.868 0.013 0.000 0.979 357 T HN 0.566 nan 8.240 nan 0.000 0.446 358 K N 3.613 124.008 120.400 -0.008 0.000 2.345 358 K HA 0.548 4.869 4.320 0.001 0.000 0.255 358 K C -1.478 175.091 176.600 -0.051 0.000 0.934 358 K CA -0.680 55.602 56.287 -0.009 0.000 0.801 358 K CB 1.088 33.592 32.500 0.008 0.000 1.137 358 K HN 0.639 nan 8.250 nan 0.000 0.424 359 I N 6.201 126.738 120.570 -0.056 0.000 2.436 359 I HA 0.329 4.500 4.170 0.001 0.000 0.289 359 I C -2.190 173.887 176.117 -0.066 0.000 1.010 359 I CA -2.488 58.764 61.300 -0.080 0.000 1.098 359 I CB 2.217 40.152 38.000 -0.109 0.000 1.266 359 I HN 0.387 nan 8.210 nan 0.000 0.434 360 P HA 0.220 nan 4.420 nan 0.000 0.274 360 P C -0.947 176.161 177.300 -0.319 0.000 1.237 360 P CA -0.576 62.383 63.100 -0.234 0.000 0.793 360 P CB 0.969 32.473 31.700 -0.326 0.000 0.977 361 R N 1.602 121.839 120.500 -0.438 0.000 2.445 361 R HA 0.606 4.947 4.340 0.001 0.000 0.308 361 R C -1.166 174.804 176.300 -0.550 0.000 0.961 361 R CA -0.537 55.380 56.100 -0.304 0.000 0.862 361 R CB -0.244 29.964 30.300 -0.152 0.000 1.144 361 R HN 0.300 nan 8.270 nan 0.000 0.447 362 F N 1.500 121.462 119.950 0.020 0.000 2.613 362 F HA 0.475 5.003 4.527 0.002 0.000 0.342 362 F C 0.835 176.577 175.800 -0.097 0.000 1.066 362 F CA -0.709 57.235 58.000 -0.093 0.000 1.002 362 F CB 1.796 40.746 39.000 -0.083 0.000 1.319 362 F HN 0.550 nan 8.300 nan 0.000 0.495 363 N N -0.371 118.331 118.700 0.004 0.000 2.545 363 N HA 0.189 4.929 4.740 0.001 0.000 0.283 363 N C 0.359 175.899 175.510 0.049 0.000 1.596 363 N CA 0.011 53.081 53.050 0.033 0.000 0.862 363 N CB 0.213 38.743 38.487 0.072 0.000 1.422 363 N HN 0.364 nan 8.380 nan 0.000 0.489 364 F N 1.882 121.931 119.950 0.165 0.000 2.192 364 F HA -0.230 4.298 4.527 0.002 0.000 0.301 364 F C 2.764 178.557 175.800 -0.011 0.000 1.079 364 F CA 1.125 59.175 58.000 0.084 0.000 1.303 364 F CB -0.061 38.957 39.000 0.031 0.000 1.024 364 F HN 0.308 nan 8.300 nan 0.000 0.494 365 E N 1.280 121.559 120.200 0.133 0.000 2.267 365 E HA -0.234 4.116 4.350 0.001 0.000 0.197 365 E C 1.405 177.915 176.600 -0.149 0.000 0.998 365 E CA 1.361 57.761 56.400 0.001 0.000 0.830 365 E CB -0.775 28.920 29.700 -0.009 0.000 0.751 365 E HN 0.410 nan 8.360 nan 0.000 0.491 366 K N -0.336 119.859 120.400 -0.342 0.000 2.418 366 K HA 0.083 4.404 4.320 0.001 0.000 0.195 366 K C -0.123 175.764 176.600 -1.188 0.000 1.035 366 K CA 0.233 56.069 56.287 -0.752 0.000 1.003 366 K CB 0.137 32.075 32.500 -0.937 0.000 0.793 366 K HN 0.093 nan 8.250 nan 0.000 0.494 367 F N 0.000 119.889 119.950 -0.102 0.000 2.542 367 F HA 0.330 4.857 4.527 0.001 0.000 0.323 367 F C 1.130 176.899 175.800 -0.051 0.000 1.411 367 F CA -0.868 57.062 58.000 -0.117 0.000 1.124 367 F CB 0.306 39.054 39.000 -0.419 0.000 1.331 367 F HN -0.145 nan 8.300 nan 0.000 0.560 368 A N 1.247 124.096 122.820 0.049 0.000 1.893 368 A HA -0.293 4.027 4.320 0.001 0.000 0.222 368 A C 2.510 180.131 177.584 0.062 0.000 1.309 368 A CA 2.544 54.604 52.037 0.038 0.000 0.681 368 A CB -1.294 17.713 19.000 0.011 0.000 0.842 368 A HN 0.704 nan 8.150 nan 0.000 0.468 369 G N -1.078 107.775 108.800 0.088 0.000 2.625 369 G HA2 0.321 4.281 3.960 0.001 0.000 0.214 369 G HA3 0.321 4.281 3.960 0.001 0.000 0.214 369 G C 0.687 175.646 174.900 0.097 0.000 1.132 369 G CA 0.889 46.037 45.100 0.079 0.000 0.782 369 G HN 1.016 nan 8.290 nan 0.000 0.538 370 A N 0.367 123.268 122.820 0.135 0.000 2.425 370 A HA 0.352 4.672 4.320 0.001 0.000 0.242 370 A C 0.611 178.245 177.584 0.083 0.000 1.077 370 A CA -0.513 51.621 52.037 0.161 0.000 0.781 370 A CB 0.236 19.338 19.000 0.170 0.000 1.020 370 A HN 0.265 nan 8.150 nan 0.000 0.494 371 N N 1.258 120.024 118.700 0.111 0.000 2.431 371 N HA -0.002 4.738 4.740 0.001 0.000 0.265 371 N C -0.539 174.927 175.510 -0.073 0.000 1.184 371 N CA 0.103 53.165 53.050 0.020 0.000 0.943 371 N CB 0.790 39.314 38.487 0.063 0.000 1.080 371 N HN 0.591 nan 8.380 nan 0.000 0.477 372 D N 2.399 122.585 120.400 -0.357 0.000 2.395 372 D HA 0.081 4.721 4.640 0.001 0.000 0.226 372 D C -0.116 175.749 176.300 -0.726 0.000 1.146 372 D CA -0.183 53.188 54.000 -1.048 0.000 0.830 372 D CB 0.162 40.266 40.800 -1.160 0.000 0.958 372 D HN 0.195 nan 8.370 nan 0.000 0.501 373 R N 0.625 120.951 120.500 -0.290 0.000 2.457 373 R HA 0.446 4.786 4.340 0.001 0.000 0.284 373 R C 0.211 176.495 176.300 -0.026 0.000 1.024 373 R CA -0.726 55.279 56.100 -0.158 0.000 1.025 373 R CB 1.241 31.487 30.300 -0.091 0.000 1.063 373 R HN 0.177 nan 8.270 nan 0.000 0.493 374 L N 1.054 122.276 121.223 -0.002 0.000 2.331 374 L HA 0.367 4.707 4.340 0.001 0.000 0.278 374 L C 1.141 178.078 176.870 0.112 0.000 1.106 374 L CA -0.035 54.862 54.840 0.094 0.000 0.824 374 L CB 0.971 43.094 42.059 0.106 0.000 1.142 374 L HN 0.588 nan 8.230 nan 0.000 0.443 375 T N -0.978 113.662 114.554 0.143 0.000 2.572 375 T HA 0.213 4.563 4.350 0.001 0.000 0.274 375 T C 0.997 175.779 174.700 0.137 0.000 0.949 375 T CA 0.390 62.566 62.100 0.125 0.000 1.126 375 T CB 1.292 70.225 68.868 0.109 0.000 1.478 375 T HN 0.741 nan 8.240 nan 0.000 0.492 376 T N -0.527 114.092 114.554 0.108 0.000 3.088 376 T HA 0.172 4.523 4.350 0.001 0.000 0.259 376 T C 0.745 175.528 174.700 0.138 0.000 1.122 376 T CA 0.371 62.554 62.100 0.138 0.000 1.095 376 T CB -0.078 68.840 68.868 0.084 0.000 0.930 376 T HN 0.490 nan 8.240 nan 0.000 0.508 377 Q N 1.339 121.172 119.800 0.055 0.000 2.303 377 Q HA 0.382 4.722 4.340 0.001 0.000 0.257 377 Q C -0.578 175.389 176.000 -0.055 0.000 0.941 377 Q CA -0.521 55.258 55.803 -0.038 0.000 0.931 377 Q CB 0.862 29.568 28.738 -0.053 0.000 1.215 377 Q HN 0.421 nan 8.270 nan 0.000 0.437 378 M N 3.709 123.187 119.600 -0.203 0.000 2.250 378 M HA -0.051 4.430 4.480 0.001 0.000 0.337 378 M C 0.514 176.787 176.300 -0.045 0.000 1.161 378 M CA 1.283 56.505 55.300 -0.130 0.000 1.088 378 M CB 0.431 32.875 32.600 -0.260 0.000 1.639 378 M HN 0.570 nan 8.290 nan 0.000 0.447 379 K N 0.315 120.791 120.400 0.127 0.000 2.477 379 K HA 0.110 4.431 4.320 0.001 0.000 0.208 379 K C 0.069 176.778 176.600 0.182 0.000 1.117 379 K CA -0.100 56.301 56.287 0.190 0.000 1.039 379 K CB 0.808 33.587 32.500 0.465 0.000 0.937 379 K HN 0.774 nan 8.250 nan 0.000 0.570 380 S N 0.410 116.141 115.700 0.052 0.000 2.580 380 S HA 0.123 4.594 4.470 0.001 0.000 0.274 380 S C 1.135 175.619 174.600 -0.194 0.000 1.329 380 S CA -0.763 57.254 58.200 -0.305 0.000 1.036 380 S CB 1.523 64.307 63.200 -0.693 0.000 0.919 380 S HN 0.041 nan 8.310 nan 0.000 0.515 381 V N -0.302 119.485 119.914 -0.211 0.000 3.660 381 V HA 0.659 4.780 4.120 0.001 0.000 0.276 381 V C 0.901 176.927 176.094 -0.114 0.000 1.317 381 V CA 0.599 62.833 62.300 -0.111 0.000 1.097 381 V CB -0.983 30.811 31.823 -0.047 0.000 0.863 381 V HN 1.262 nan 8.190 nan 0.000 0.438 382 G N 0.392 109.091 108.800 -0.168 0.000 2.340 382 G HA2 0.570 4.530 3.960 0.001 0.000 0.299 382 G HA3 0.570 4.530 3.960 0.001 0.000 0.299 382 G C -1.735 173.073 174.900 -0.153 0.000 1.291 382 G CA -0.068 44.956 45.100 -0.128 0.000 0.841 382 G HN 0.699 nan 8.290 nan 0.000 0.500 383 E N -1.957 118.182 120.200 -0.101 0.000 2.401 383 E HA 0.616 4.967 4.350 0.001 0.000 0.280 383 E C -1.994 174.584 176.600 -0.037 0.000 1.039 383 E CA -0.959 55.391 56.400 -0.083 0.000 0.814 383 E CB 2.322 31.981 29.700 -0.069 0.000 1.275 383 E HN 0.822 nan 8.360 nan 0.000 0.448 384 V N 2.152 122.056 119.914 -0.017 0.000 2.815 384 V HA 0.702 4.823 4.120 0.001 0.000 0.314 384 V C -0.841 175.296 176.094 0.072 0.000 1.064 384 V CA -0.735 61.579 62.300 0.024 0.000 0.952 384 V CB 1.874 33.705 31.823 0.014 0.000 1.020 384 V HN 0.823 nan 8.190 nan 0.000 0.439 385 M N 5.022 124.731 119.600 0.182 0.000 2.518 385 M HA 0.863 5.344 4.480 0.001 0.000 0.300 385 M C -1.182 175.312 176.300 0.323 0.000 1.175 385 M CA -0.473 54.973 55.300 0.244 0.000 0.890 385 M CB 2.049 34.838 32.600 0.314 0.000 1.710 385 M HN 0.815 nan 8.290 nan 0.000 0.453 386 A N 4.280 127.188 122.820 0.147 0.000 2.539 386 A HA 0.880 5.201 4.320 0.001 0.000 0.296 386 A C -1.686 175.877 177.584 -0.036 0.000 1.073 386 A CA -0.727 51.382 52.037 0.120 0.000 0.700 386 A CB 1.565 20.615 19.000 0.083 0.000 1.296 386 A HN 0.854 nan 8.150 nan 0.000 0.405 387 I N 0.728 121.235 120.570 -0.104 0.000 2.545 387 I HA 0.685 4.856 4.170 0.001 0.000 0.292 387 I C 0.435 176.402 176.117 -0.249 0.000 1.040 387 I CA -0.513 60.565 61.300 -0.370 0.000 1.068 387 I CB 2.531 39.962 38.000 -0.949 0.000 1.251 387 I HN 0.829 nan 8.210 nan 0.000 0.424 388 G N 3.621 112.320 108.800 -0.168 0.000 2.690 388 G HA2 0.379 4.340 3.960 0.001 0.000 0.293 388 G HA3 0.379 4.340 3.960 0.001 0.000 0.293 388 G C 0.045 175.007 174.900 0.104 0.000 1.399 388 G CA -0.534 44.588 45.100 0.036 0.000 0.890 388 G HN 0.455 nan 8.290 nan 0.000 0.485 389 R N -0.740 119.887 120.500 0.212 0.000 2.235 389 R HA 0.037 4.378 4.340 0.001 0.000 0.213 389 R C 1.042 177.442 176.300 0.167 0.000 1.059 389 R CA 1.310 57.545 56.100 0.225 0.000 0.997 389 R CB -0.196 30.236 30.300 0.220 0.000 0.884 389 R HN 0.716 nan 8.270 nan 0.000 0.462 390 T N -4.339 110.300 114.554 0.142 0.000 2.901 390 T HA 0.207 4.558 4.350 0.001 0.000 0.293 390 T C 0.720 175.498 174.700 0.130 0.000 1.084 390 T CA -0.892 61.285 62.100 0.128 0.000 1.008 390 T CB 2.239 71.162 68.868 0.093 0.000 1.170 390 T HN -0.198 nan 8.240 nan 0.000 0.509 391 Q N 0.452 120.343 119.800 0.151 0.000 2.084 391 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 391 Q C 2.216 178.278 176.000 0.103 0.000 0.978 391 Q CA 2.045 57.953 55.803 0.176 0.000 0.844 391 Q CB -0.517 28.368 28.738 0.245 0.000 0.898 391 Q HN 0.798 nan 8.270 nan 0.000 0.426 392 Q N -0.135 119.690 119.800 0.041 0.000 2.084 392 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 392 Q C 2.033 178.037 176.000 0.006 0.000 0.978 392 Q CA 1.682 57.491 55.803 0.011 0.000 0.844 392 Q CB -0.169 28.548 28.738 -0.035 0.000 0.898 392 Q HN 0.574 nan 8.270 nan 0.000 0.426 393 E N 0.043 120.261 120.200 0.031 0.000 2.051 393 E HA -0.216 4.134 4.350 0.001 0.000 0.192 393 E C 2.080 178.709 176.600 0.047 0.000 0.991 393 E CA 1.315 57.741 56.400 0.044 0.000 0.799 393 E CB -0.114 29.643 29.700 0.096 0.000 0.748 393 E HN 0.166 nan 8.360 nan 0.000 0.449 394 S N -0.013 115.724 115.700 0.061 0.000 2.359 394 S HA -0.202 4.269 4.470 0.001 0.000 0.223 394 S C 1.998 176.611 174.600 0.021 0.000 1.039 394 S CA 1.435 59.664 58.200 0.048 0.000 1.042 394 S CB -0.456 62.785 63.200 0.068 0.000 0.915 394 S HN 0.385 nan 8.310 nan 0.000 0.439 395 L N 1.754 122.989 121.223 0.019 0.000 2.017 395 L HA -0.088 4.252 4.340 0.001 0.000 0.208 395 L C 2.464 179.273 176.870 -0.102 0.000 1.073 395 L CA 1.992 56.807 54.840 -0.041 0.000 0.745 395 L CB -0.907 41.155 42.059 0.005 0.000 0.894 395 L HN 0.368 nan 8.230 nan 0.000 0.432 396 Q N -0.407 119.349 119.800 -0.075 0.000 2.119 396 Q HA -0.228 4.113 4.340 0.001 0.000 0.201 396 Q C 2.281 178.237 176.000 -0.073 0.000 0.972 396 Q CA 1.757 57.487 55.803 -0.121 0.000 0.847 396 Q CB -0.130 28.523 28.738 -0.142 0.000 0.903 396 Q HN 0.584 nan 8.270 nan 0.000 0.433 397 K N 0.451 120.840 120.400 -0.019 0.000 2.057 397 K HA -0.107 4.214 4.320 0.001 0.000 0.207 397 K C 2.123 178.731 176.600 0.014 0.000 1.049 397 K CA 1.066 57.369 56.287 0.026 0.000 0.931 397 K CB -0.150 32.394 32.500 0.073 0.000 0.714 397 K HN 0.121 nan 8.250 nan 0.000 0.440 398 A N 1.470 124.283 122.820 -0.011 0.000 1.883 398 A HA -0.172 4.149 4.320 0.001 0.000 0.217 398 A C 2.117 179.672 177.584 -0.048 0.000 1.186 398 A CA 1.383 53.407 52.037 -0.021 0.000 0.624 398 A CB -0.745 18.224 19.000 -0.051 0.000 0.822 398 A HN 0.173 nan 8.150 nan 0.000 0.444 399 L N -0.373 120.780 121.223 -0.116 0.000 2.042 399 L HA -0.230 4.111 4.340 0.001 0.000 0.210 399 L C 2.736 179.606 176.870 0.000 0.000 1.076 399 L CA 1.928 56.703 54.840 -0.109 0.000 0.749 399 L CB -0.506 41.382 42.059 -0.284 0.000 0.893 399 L HN 0.609 nan 8.230 nan 0.000 0.432 400 R N 0.034 120.529 120.500 -0.007 0.000 2.307 400 R HA 0.024 4.364 4.340 0.001 0.000 0.199 400 R C 1.657 177.974 176.300 0.028 0.000 1.000 400 R CA 0.941 57.056 56.100 0.024 0.000 1.023 400 R CB -0.371 29.947 30.300 0.029 0.000 0.908 400 R HN 0.218 nan 8.270 nan 0.000 0.473 401 G N 0.688 109.503 108.800 0.025 0.000 3.126 401 G HA2 -0.014 3.947 3.960 0.001 0.000 0.224 401 G HA3 -0.014 3.947 3.960 0.001 0.000 0.224 401 G C 0.948 175.858 174.900 0.017 0.000 1.142 401 G CA -0.396 44.718 45.100 0.023 0.000 0.759 401 G HN 0.206 nan 8.290 nan 0.000 0.550 402 L N 0.441 121.683 121.223 0.031 0.000 2.456 402 L HA 0.149 4.490 4.340 0.001 0.000 0.224 402 L C 1.110 178.000 176.870 0.033 0.000 1.148 402 L CA 0.818 55.684 54.840 0.043 0.000 0.825 402 L CB -0.195 41.924 42.059 0.100 0.000 0.937 402 L HN 0.195 nan 8.230 nan 0.000 0.450 403 E N -1.076 119.135 120.200 0.018 0.000 2.637 403 E HA -0.195 4.155 4.350 0.001 0.000 0.265 403 E C 0.925 177.522 176.600 -0.005 0.000 1.073 403 E CA 0.969 57.366 56.400 -0.005 0.000 0.778 403 E CB -2.213 27.473 29.700 -0.024 0.000 1.362 403 E HN 0.503 nan 8.360 nan 0.000 0.413 404 V N -4.215 115.705 119.914 0.009 0.000 3.427 404 V HA 0.594 4.715 4.120 0.001 0.000 0.305 404 V C 1.327 177.374 176.094 -0.079 0.000 1.412 404 V CA 1.054 63.337 62.300 -0.027 0.000 1.086 404 V CB 0.751 32.566 31.823 -0.013 0.000 0.964 404 V HN 0.547 nan 8.190 nan 0.000 0.439 405 G N 0.020 108.787 108.800 -0.054 0.000 2.176 405 G HA2 -0.034 3.927 3.960 0.001 0.000 0.232 405 G HA3 -0.034 3.927 3.960 0.001 0.000 0.232 405 G C 0.366 175.225 174.900 -0.068 0.000 0.986 405 G CA 0.133 45.193 45.100 -0.068 0.000 0.643 405 G HN 1.626 nan 8.290 nan 0.000 0.522 406 A N 0.177 122.974 122.820 -0.039 0.000 2.340 406 A HA 0.781 5.102 4.320 0.001 0.000 0.268 406 A C 1.327 178.940 177.584 0.049 0.000 1.100 406 A CA 1.191 53.240 52.037 0.020 0.000 0.803 406 A CB 0.654 19.774 19.000 0.200 0.000 1.043 406 A HN 1.485 nan 8.150 nan 0.000 0.488 407 T N -1.444 113.149 114.554 0.064 0.000 3.043 407 T HA 0.552 4.902 4.350 0.001 0.000 0.272 407 T C 0.811 175.557 174.700 0.077 0.000 0.990 407 T CA 0.949 63.087 62.100 0.065 0.000 0.897 407 T CB -0.073 68.836 68.868 0.068 0.000 1.111 407 T HN 2.202 nan 8.240 nan 0.000 0.529 408 G N 1.379 110.225 108.800 0.077 0.000 2.480 408 G HA2 0.218 4.179 3.960 0.001 0.000 0.109 408 G HA3 0.218 4.179 3.960 0.001 0.000 0.109 408 G C -1.442 173.461 174.900 0.005 0.000 1.172 408 G CA -0.835 44.261 45.100 -0.008 0.000 1.091 408 G HN 0.139 nan 8.290 nan 0.000 0.464 409 F N 3.437 123.500 119.950 0.189 0.000 2.660 409 F HA 0.368 4.896 4.527 0.001 0.000 0.342 409 F C 0.186 176.160 175.800 0.291 0.000 1.195 409 F CA -0.380 57.776 58.000 0.260 0.000 1.300 409 F CB -0.189 38.898 39.000 0.144 0.000 1.616 409 F HN 0.150 nan 8.300 nan 0.000 0.592 410 D N 2.916 123.536 120.400 0.366 0.000 2.414 410 D HA 0.090 4.731 4.640 0.001 0.000 0.242 410 D C -2.195 174.184 176.300 0.132 0.000 1.129 410 D CA -0.979 53.123 54.000 0.169 0.000 0.885 410 D CB 0.291 41.102 40.800 0.018 0.000 1.198 410 D HN 0.120 nan 8.370 nan 0.000 0.437 411 P HA 0.117 nan 4.420 nan 0.000 0.274 411 P C -0.128 177.116 177.300 -0.093 0.000 1.231 411 P CA -0.408 62.704 63.100 0.020 0.000 0.790 411 P CB 1.264 32.981 31.700 0.029 0.000 0.951 412 K N 0.592 120.881 120.400 -0.184 0.000 2.365 412 K HA 0.142 4.462 4.320 0.001 0.000 0.195 412 K C 0.296 176.831 176.600 -0.109 0.000 1.079 412 K CA 0.430 56.546 56.287 -0.284 0.000 0.979 412 K CB 0.326 32.346 32.500 -0.800 0.000 0.929 412 K HN 0.432 nan 8.250 nan 0.000 0.523 413 V N -1.436 118.456 119.914 -0.038 0.000 2.823 413 V HA 0.571 4.691 4.120 0.001 0.000 0.312 413 V C -0.261 175.854 176.094 0.036 0.000 1.072 413 V CA -1.177 61.152 62.300 0.049 0.000 0.937 413 V CB 1.656 33.558 31.823 0.131 0.000 1.013 413 V HN 0.030 nan 8.190 nan 0.000 0.430 414 S N 2.826 118.547 115.700 0.036 0.000 2.592 414 S HA 0.408 4.878 4.470 0.001 0.000 0.271 414 S C 0.920 175.543 174.600 0.038 0.000 1.326 414 S CA -0.448 57.771 58.200 0.031 0.000 1.024 414 S CB 0.766 63.980 63.200 0.024 0.000 0.921 414 S HN 0.807 nan 8.310 nan 0.000 0.527 415 L N 1.841 123.086 121.223 0.036 0.000 2.131 415 L HA -0.064 4.276 4.340 0.001 0.000 0.210 415 L C 1.447 178.336 176.870 0.033 0.000 1.092 415 L CA 1.584 56.447 54.840 0.038 0.000 0.759 415 L CB -0.513 41.569 42.059 0.037 0.000 0.903 415 L HN 0.806 nan 8.230 nan 0.000 0.435 416 D N -2.375 118.041 120.400 0.028 0.000 2.325 416 D HA -0.034 4.607 4.640 0.001 0.000 0.225 416 D C 0.269 176.582 176.300 0.022 0.000 1.096 416 D CA -0.260 53.754 54.000 0.023 0.000 0.844 416 D CB -0.328 40.483 40.800 0.019 0.000 0.925 416 D HN 0.087 nan 8.370 nan 0.000 0.513 417 D N 0.827 121.243 120.400 0.027 0.000 2.316 417 D HA 0.126 4.766 4.640 0.001 0.000 0.245 417 D C -1.451 174.864 176.300 0.025 0.000 1.171 417 D CA -2.256 51.759 54.000 0.026 0.000 0.856 417 D CB 1.682 42.500 40.800 0.031 0.000 1.090 417 D HN -0.181 nan 8.370 nan 0.000 0.476 418 P HA -0.101 nan 4.420 nan 0.000 0.218 418 P C 0.774 178.084 177.300 0.017 0.000 1.149 418 P CA 0.844 63.954 63.100 0.017 0.000 0.817 418 P CB 0.320 32.028 31.700 0.013 0.000 0.785 419 E N -0.918 119.292 120.200 0.017 0.000 2.481 419 E HA 0.063 4.413 4.350 0.001 0.000 0.195 419 E C 1.870 178.483 176.600 0.022 0.000 1.047 419 E CA 0.304 56.713 56.400 0.014 0.000 0.867 419 E CB -0.158 29.547 29.700 0.009 0.000 0.858 419 E HN 0.121 nan 8.360 nan 0.000 0.513 420 A N 1.430 124.271 122.820 0.034 0.000 1.892 420 A HA -0.199 4.121 4.320 0.001 0.000 0.218 420 A C 2.182 179.796 177.584 0.050 0.000 1.188 420 A CA 1.152 53.222 52.037 0.054 0.000 0.631 420 A CB -0.738 18.300 19.000 0.064 0.000 0.822 420 A HN 0.237 nan 8.150 nan 0.000 0.447 421 L N -0.920 120.324 121.223 0.036 0.000 2.353 421 L HA -0.140 4.201 4.340 0.001 0.000 0.220 421 L C 2.572 179.446 176.870 0.007 0.000 1.133 421 L CA 1.453 56.309 54.840 0.026 0.000 0.798 421 L CB -0.404 41.668 42.059 0.022 0.000 0.922 421 L HN 0.396 nan 8.230 nan 0.000 0.445 422 T N -0.675 113.879 114.554 -0.000 0.000 2.937 422 T HA -0.079 4.271 4.350 0.001 0.000 0.260 422 T C 1.828 176.502 174.700 -0.044 0.000 1.051 422 T CA 0.898 62.986 62.100 -0.020 0.000 1.141 422 T CB 0.179 69.037 68.868 -0.017 0.000 0.879 422 T HN 0.345 nan 8.240 nan 0.000 0.459 423 K N 0.970 121.348 120.400 -0.036 0.000 2.025 423 K HA 0.103 4.424 4.320 0.001 0.000 0.207 423 K C 2.118 178.636 176.600 -0.137 0.000 1.049 423 K CA 1.065 57.303 56.287 -0.081 0.000 0.933 423 K CB -0.300 32.191 32.500 -0.016 0.000 0.714 423 K HN 0.243 nan 8.250 nan 0.000 0.438 424 I N 1.419 121.979 120.570 -0.017 0.000 2.163 424 I HA -0.290 3.880 4.170 0.001 0.000 0.243 424 I C 2.874 178.956 176.117 -0.057 0.000 1.085 424 I CA 1.219 62.534 61.300 0.025 0.000 1.347 424 I CB -0.202 37.856 38.000 0.097 0.000 1.044 424 I HN 0.190 nan 8.210 nan 0.000 0.408 425 R N 0.830 121.300 120.500 -0.050 0.000 2.091 425 R HA -0.215 4.126 4.340 0.001 0.000 0.238 425 R C 2.552 178.797 176.300 -0.092 0.000 1.136 425 R CA 1.353 57.418 56.100 -0.058 0.000 0.959 425 R CB -0.264 30.012 30.300 -0.041 0.000 0.856 425 R HN 0.197 nan 8.270 nan 0.000 0.437 426 R N 0.946 121.373 120.500 -0.122 0.000 2.081 426 R HA -0.107 4.233 4.340 0.001 0.000 0.235 426 R C 1.491 177.681 176.300 -0.184 0.000 1.131 426 R CA 1.596 57.609 56.100 -0.145 0.000 0.960 426 R CB -0.202 30.005 30.300 -0.155 0.000 0.856 426 R HN 0.316 nan 8.270 nan 0.000 0.436 427 E N 0.388 120.425 120.200 -0.272 0.000 2.274 427 E HA -0.120 4.231 4.350 0.001 0.000 0.194 427 E C 1.878 178.395 176.600 -0.138 0.000 0.996 427 E CA 0.522 56.732 56.400 -0.317 0.000 0.840 427 E CB 0.051 29.280 29.700 -0.784 0.000 0.772 427 E HN 0.185 nan 8.360 nan 0.000 0.491 428 L N 0.923 122.090 121.223 -0.095 0.000 2.102 428 L HA -0.005 4.336 4.340 0.001 0.000 0.202 428 L C 2.330 179.164 176.870 -0.060 0.000 1.076 428 L CA 1.390 56.202 54.840 -0.047 0.000 0.761 428 L CB -0.547 41.483 42.059 -0.049 0.000 0.921 428 L HN -0.061 nan 8.230 nan 0.000 0.444 429 K N -0.645 119.710 120.400 -0.075 0.000 2.057 429 K HA -0.096 4.225 4.320 0.001 0.000 0.207 429 K C -0.315 176.242 176.600 -0.072 0.000 1.049 429 K CA 1.202 57.445 56.287 -0.074 0.000 0.931 429 K CB 0.192 32.645 32.500 -0.079 0.000 0.714 429 K HN 0.248 nan 8.250 nan 0.000 0.440 430 D N 0.440 120.788 120.400 -0.086 0.000 2.408 430 D HA 0.173 4.813 4.640 0.001 0.000 0.261 430 D C -1.260 174.991 176.300 -0.082 0.000 1.190 430 D CA -0.127 53.823 54.000 -0.084 0.000 0.910 430 D CB 1.506 42.239 40.800 -0.113 0.000 1.097 430 D HN 0.202 nan 8.370 nan 0.000 0.522 431 A N 1.646 124.440 122.820 -0.044 0.000 2.511 431 A HA 0.550 4.871 4.320 0.001 0.000 0.242 431 A C 0.823 178.370 177.584 -0.061 0.000 1.069 431 A CA 0.244 52.266 52.037 -0.026 0.000 0.763 431 A CB 0.655 19.668 19.000 0.022 0.000 1.001 431 A HN 0.534 nan 8.150 nan 0.000 0.498 432 G N -0.515 108.240 108.800 -0.075 0.000 3.209 432 G HA2 0.551 4.512 3.960 0.001 0.000 0.236 432 G HA3 0.551 4.512 3.960 0.001 0.000 0.236 432 G C 0.804 175.630 174.900 -0.124 0.000 1.329 432 G CA 0.167 45.171 45.100 -0.159 0.000 1.015 432 G HN 1.265 nan 8.290 nan 0.000 0.571 433 A N -0.961 121.753 122.820 -0.177 0.000 2.119 433 A HA 0.153 4.473 4.320 0.001 0.000 0.216 433 A C 1.443 179.217 177.584 0.316 0.000 1.152 433 A CA 1.551 53.517 52.037 -0.117 0.000 0.708 433 A CB -0.086 18.820 19.000 -0.156 0.000 0.805 433 A HN 0.364 nan 8.150 nan 0.000 0.460 434 D N -0.913 119.700 120.400 0.354 0.000 2.339 434 D HA 0.036 4.676 4.640 0.001 0.000 0.217 434 D C 1.731 178.429 176.300 0.665 0.000 1.050 434 D CA 0.043 54.437 54.000 0.656 0.000 0.856 434 D CB -0.168 40.973 40.800 0.569 0.000 0.922 434 D HN 0.467 nan 8.370 nan 0.000 0.518 435 R N 0.693 121.423 120.500 0.382 0.000 2.133 435 R HA -0.225 4.116 4.340 0.001 0.000 0.245 435 R C 2.052 178.496 176.300 0.241 0.000 1.137 435 R CA 1.305 57.580 56.100 0.291 0.000 0.947 435 R CB -0.437 29.963 30.300 0.168 0.000 0.865 435 R HN 0.123 nan 8.270 nan 0.000 0.437 436 I N 0.196 120.787 120.570 0.034 0.000 2.315 436 I HA -0.279 3.892 4.170 0.001 0.000 0.251 436 I C 1.536 177.604 176.117 -0.082 0.000 1.125 436 I CA 1.477 62.682 61.300 -0.158 0.000 1.392 436 I CB -0.173 37.454 38.000 -0.621 0.000 1.065 436 I HN 0.336 nan 8.210 nan 0.000 0.424 437 W N -1.018 120.373 121.300 0.151 0.000 2.576 437 W HA -0.085 4.575 4.660 0.001 0.000 0.270 437 W C 2.315 178.830 176.519 -0.007 0.000 1.255 437 W CA 0.496 57.891 57.345 0.083 0.000 1.314 437 W CB -1.057 28.345 29.460 -0.096 0.000 1.101 437 W HN 0.200 nan 8.180 nan 0.000 0.595 438 Y N 0.419 120.893 120.300 0.290 0.000 2.373 438 Y HA -0.104 4.447 4.550 0.001 0.000 0.293 438 Y C 2.378 178.303 175.900 0.043 0.000 1.129 438 Y CA 0.962 59.150 58.100 0.147 0.000 1.226 438 Y CB -0.609 37.911 38.460 0.100 0.000 1.000 438 Y HN -0.207 nan 8.280 nan 0.000 0.549 439 I N -0.668 119.989 120.570 0.146 0.000 2.252 439 I HA -0.317 3.854 4.170 0.001 0.000 0.245 439 I C 2.508 178.485 176.117 -0.233 0.000 1.102 439 I CA 1.248 62.507 61.300 -0.067 0.000 1.385 439 I CB -0.415 37.608 38.000 0.040 0.000 1.064 439 I HN 0.181 nan 8.210 nan 0.000 0.414 440 A N -0.066 122.753 122.820 -0.002 0.000 1.968 440 A HA -0.184 4.137 4.320 0.001 0.000 0.217 440 A C 1.922 179.546 177.584 0.066 0.000 1.169 440 A CA 1.532 53.591 52.037 0.036 0.000 0.638 440 A CB -0.420 18.595 19.000 0.025 0.000 0.812 440 A HN 0.291 nan 8.150 nan 0.000 0.446 441 D N 0.160 120.601 120.400 0.067 0.000 2.178 441 D HA -0.022 4.619 4.640 0.001 0.000 0.202 441 D C 2.157 178.483 176.300 0.044 0.000 0.974 441 D CA 1.277 55.319 54.000 0.071 0.000 0.841 441 D CB -0.197 40.644 40.800 0.068 0.000 0.953 441 D HN 0.416 nan 8.370 nan 0.000 0.478 442 A N 0.044 122.835 122.820 -0.048 0.000 1.898 442 A HA -0.130 4.191 4.320 0.001 0.000 0.216 442 A C 1.887 179.431 177.584 -0.068 0.000 1.181 442 A CA 0.834 52.804 52.037 -0.112 0.000 0.620 442 A CB -0.754 18.081 19.000 -0.276 0.000 0.819 442 A HN 0.112 nan 8.150 nan 0.000 0.442 443 F N 0.076 120.054 119.950 0.047 0.000 2.146 443 F HA -0.036 4.491 4.527 0.001 0.000 0.298 443 F C 2.462 178.279 175.800 0.028 0.000 1.096 443 F CA 1.116 59.132 58.000 0.026 0.000 1.275 443 F CB -0.658 38.341 39.000 -0.002 0.000 1.008 443 F HN 0.115 nan 8.300 nan 0.000 0.480 444 R N 0.013 120.640 120.500 0.211 0.000 2.105 444 R HA -0.101 4.240 4.340 0.001 0.000 0.239 444 R C 2.020 178.384 176.300 0.106 0.000 1.135 444 R CA 1.283 57.465 56.100 0.137 0.000 0.967 444 R CB -0.675 29.691 30.300 0.110 0.000 0.861 444 R HN 0.241 nan 8.270 nan 0.000 0.442 445 A N -0.331 122.546 122.820 0.096 0.000 2.278 445 A HA 0.275 4.595 4.320 0.001 0.000 0.212 445 A C 1.260 178.889 177.584 0.077 0.000 1.213 445 A CA 0.687 52.769 52.037 0.075 0.000 0.840 445 A CB 0.147 19.185 19.000 0.062 0.000 0.866 445 A HN 0.460 nan 8.150 nan 0.000 0.489 446 G N -1.425 107.437 108.800 0.103 0.000 2.179 446 G HA2 -0.176 3.785 3.960 0.001 0.000 0.220 446 G HA3 -0.176 3.785 3.960 0.001 0.000 0.220 446 G C 0.083 175.050 174.900 0.112 0.000 0.990 446 G CA 0.060 45.218 45.100 0.097 0.000 0.646 446 G HN 0.375 nan 8.290 nan 0.000 0.517 447 L N 2.000 123.299 121.223 0.127 0.000 2.417 447 L HA 0.547 4.888 4.340 0.001 0.000 0.268 447 L C 1.490 178.503 176.870 0.238 0.000 1.158 447 L CA 0.170 55.084 54.840 0.124 0.000 0.819 447 L CB 1.272 43.357 42.059 0.043 0.000 1.112 447 L HN 0.461 nan 8.230 nan 0.000 0.458 448 S N 1.375 117.194 115.700 0.199 0.000 2.669 448 S HA 0.238 4.708 4.470 0.001 0.000 0.270 448 S C 1.022 175.841 174.600 0.366 0.000 1.225 448 S CA -0.902 57.441 58.200 0.238 0.000 0.991 448 S CB 1.572 64.853 63.200 0.135 0.000 0.987 448 S HN 0.325 nan 8.310 nan 0.000 0.552 449 V N 1.272 121.386 119.914 0.333 0.000 2.343 449 V HA -0.150 3.971 4.120 0.001 0.000 0.247 449 V C 2.180 178.441 176.094 0.278 0.000 1.051 449 V CA 2.271 64.787 62.300 0.360 0.000 1.036 449 V CB -0.941 30.962 31.823 0.133 0.000 0.654 449 V HN 0.854 nan 8.190 nan 0.000 0.451 450 D N 0.393 120.905 120.400 0.187 0.000 2.144 450 D HA -0.104 4.537 4.640 0.001 0.000 0.199 450 D C 2.173 178.607 176.300 0.224 0.000 0.984 450 D CA 1.555 55.664 54.000 0.183 0.000 0.834 450 D CB -0.483 40.382 40.800 0.107 0.000 0.955 450 D HN 0.488 nan 8.370 nan 0.000 0.465 451 G N 0.829 109.732 108.800 0.173 0.000 2.421 451 G HA2 -0.204 3.757 3.960 0.001 0.000 0.216 451 G HA3 -0.204 3.757 3.960 0.001 0.000 0.216 451 G C 1.875 176.837 174.900 0.104 0.000 1.171 451 G CA 0.764 45.939 45.100 0.125 0.000 0.775 451 G HN 0.236 nan 8.290 nan 0.000 0.543 452 V N 0.478 120.461 119.914 0.115 0.000 2.407 452 V HA -0.123 3.998 4.120 0.001 0.000 0.248 452 V C 2.316 178.453 176.094 0.072 0.000 1.055 452 V CA 1.789 64.114 62.300 0.042 0.000 1.049 452 V CB -0.659 31.135 31.823 -0.048 0.000 0.662 452 V HN 0.397 nan 8.190 nan 0.000 0.455 453 F N 1.982 121.966 119.950 0.058 0.000 2.102 453 F HA -0.203 4.324 4.527 0.001 0.000 0.298 453 F C 2.369 178.191 175.800 0.038 0.000 1.105 453 F CA 2.025 60.055 58.000 0.050 0.000 1.239 453 F CB -0.342 38.697 39.000 0.064 0.000 0.991 453 F HN 0.176 nan 8.300 nan 0.000 0.474 454 N N 0.799 119.523 118.700 0.039 0.000 2.289 454 N HA -0.155 4.586 4.740 0.001 0.000 0.184 454 N C 1.891 177.315 175.510 -0.144 0.000 1.016 454 N CA 1.559 54.582 53.050 -0.045 0.000 0.872 454 N CB -0.395 38.163 38.487 0.118 0.000 0.973 454 N HN 0.400 nan 8.380 nan 0.000 0.433 455 L N -0.011 121.142 121.223 -0.117 0.000 2.249 455 L HA 0.001 4.342 4.340 0.001 0.000 0.207 455 L C 2.294 179.079 176.870 -0.141 0.000 1.090 455 L CA 1.175 55.953 54.840 -0.103 0.000 0.802 455 L CB -0.286 41.733 42.059 -0.067 0.000 0.947 455 L HN 0.252 nan 8.230 nan 0.000 0.453 456 T N -5.158 109.279 114.554 -0.195 0.000 3.023 456 T HA 0.089 4.439 4.350 0.001 0.000 0.249 456 T C 0.900 175.438 174.700 -0.269 0.000 1.050 456 T CA 0.549 62.541 62.100 -0.181 0.000 1.088 456 T CB -0.073 68.716 68.868 -0.133 0.000 0.946 456 T HN 0.306 nan 8.240 nan 0.000 0.480 457 N N 0.332 118.705 118.700 -0.544 0.000 2.828 457 N HA -0.118 4.623 4.740 0.001 0.000 0.248 457 N C -0.815 174.529 175.510 -0.277 0.000 1.044 457 N CA 0.572 53.243 53.050 -0.632 0.000 0.851 457 N CB -1.755 36.562 38.487 -0.283 0.000 1.136 457 N HN 0.557 nan 8.380 nan 0.000 0.572 458 I N 1.195 121.642 120.570 -0.205 0.000 2.416 458 I HA 0.012 4.183 4.170 0.001 0.000 0.288 458 I C 0.863 177.108 176.117 0.214 0.000 1.051 458 I CA -0.137 61.075 61.300 -0.146 0.000 1.375 458 I CB 0.405 38.130 38.000 -0.460 0.000 1.407 458 I HN 0.140 nan 8.210 nan 0.000 0.516 459 D N 6.211 126.824 120.400 0.356 0.000 2.583 459 D HA -0.090 4.550 4.640 0.001 0.000 0.232 459 D C 1.224 177.755 176.300 0.386 0.000 1.128 459 D CA 0.480 54.744 54.000 0.440 0.000 0.859 459 D CB 0.787 41.825 40.800 0.397 0.000 1.169 459 D HN 0.488 nan 8.370 nan 0.000 0.481 460 R N 2.843 123.492 120.500 0.248 0.000 2.170 460 R HA -0.205 4.136 4.340 0.001 0.000 0.242 460 R C 1.954 178.330 176.300 0.127 0.000 1.145 460 R CA 1.350 57.547 56.100 0.162 0.000 0.984 460 R CB -0.171 30.138 30.300 0.014 0.000 0.869 460 R HN 0.657 nan 8.270 nan 0.000 0.455 461 W N 0.632 121.890 121.300 -0.070 0.000 2.325 461 W HA -0.228 4.432 4.660 0.001 0.000 0.299 461 W C 1.232 177.641 176.519 -0.183 0.000 1.215 461 W CA 1.568 58.800 57.345 -0.189 0.000 1.244 461 W CB -0.189 29.066 29.460 -0.343 0.000 1.140 461 W HN -0.019 nan 8.180 nan 0.000 0.523 462 F N -0.520 119.564 119.950 0.224 0.000 2.219 462 F HA -0.015 4.513 4.527 0.001 0.000 0.294 462 F C 2.216 178.067 175.800 0.084 0.000 1.086 462 F CA 1.135 59.222 58.000 0.146 0.000 1.330 462 F CB -1.158 37.995 39.000 0.255 0.000 1.047 462 F HN -0.247 nan 8.300 nan 0.000 0.495 463 L N 0.148 121.559 121.223 0.313 0.000 2.012 463 L HA -0.197 4.144 4.340 0.001 0.000 0.210 463 L C 2.630 179.564 176.870 0.107 0.000 1.073 463 L CA 1.465 56.486 54.840 0.301 0.000 0.748 463 L CB -1.191 41.089 42.059 0.369 0.000 0.891 463 L HN 0.149 nan 8.230 nan 0.000 0.431 464 V N -2.542 117.351 119.914 -0.035 0.000 2.453 464 V HA -0.318 3.803 4.120 0.001 0.000 0.252 464 V C 2.180 178.140 176.094 -0.224 0.000 1.068 464 V CA 1.724 63.913 62.300 -0.184 0.000 1.070 464 V CB -0.905 30.808 31.823 -0.182 0.000 0.664 464 V HN 0.532 nan 8.190 nan 0.000 0.461 465 Q N 0.019 119.700 119.800 -0.198 0.000 2.123 465 Q HA 0.035 4.376 4.340 0.001 0.000 0.199 465 Q C 2.352 178.271 176.000 -0.134 0.000 0.966 465 Q CA 1.961 57.649 55.803 -0.191 0.000 0.845 465 Q CB -0.191 28.403 28.738 -0.241 0.000 0.907 465 Q HN 0.683 nan 8.270 nan 0.000 0.439 466 I N 0.565 121.093 120.570 -0.070 0.000 2.353 466 I HA -0.217 3.953 4.170 0.001 0.000 0.248 466 I C 2.427 178.423 176.117 -0.200 0.000 1.119 466 I CA 0.970 62.180 61.300 -0.150 0.000 1.417 466 I CB -0.263 37.753 38.000 0.027 0.000 1.078 466 I HN 0.288 nan 8.210 nan 0.000 0.421 467 E N 1.412 121.389 120.200 -0.371 0.000 2.077 467 E HA -0.295 4.055 4.350 0.001 0.000 0.193 467 E C 2.108 178.508 176.600 -0.332 0.000 0.989 467 E CA 1.308 57.280 56.400 -0.713 0.000 0.800 467 E CB 0.001 28.936 29.700 -1.275 0.000 0.746 467 E HN 0.451 nan 8.360 nan 0.000 0.452 468 E N 0.383 120.438 120.200 -0.243 0.000 2.160 468 E HA -0.203 4.148 4.350 0.001 0.000 0.195 468 E C 2.183 178.767 176.600 -0.027 0.000 0.991 468 E CA 0.864 57.190 56.400 -0.124 0.000 0.810 468 E CB -0.053 29.583 29.700 -0.108 0.000 0.742 468 E HN 0.346 nan 8.360 nan 0.000 0.466 469 L N 0.141 121.338 121.223 -0.044 0.000 2.093 469 L HA -0.150 4.191 4.340 0.001 0.000 0.208 469 L C 2.542 179.519 176.870 0.178 0.000 1.085 469 L CA 0.591 55.487 54.840 0.093 0.000 0.755 469 L CB -0.343 41.663 42.059 -0.089 0.000 0.904 469 L HN 0.081 nan 8.230 nan 0.000 0.435 470 V N -0.191 119.742 119.914 0.031 0.000 2.343 470 V HA -0.237 3.884 4.120 0.001 0.000 0.247 470 V C 2.741 178.879 176.094 0.073 0.000 1.051 470 V CA 1.550 63.894 62.300 0.072 0.000 1.036 470 V CB -0.595 31.273 31.823 0.075 0.000 0.654 470 V HN 0.421 nan 8.190 nan 0.000 0.451 471 R N -0.244 120.273 120.500 0.028 0.000 2.081 471 R HA -0.080 4.260 4.340 0.001 0.000 0.235 471 R C 2.218 178.553 176.300 0.058 0.000 1.131 471 R CA 1.325 57.439 56.100 0.024 0.000 0.960 471 R CB -0.870 29.420 30.300 -0.017 0.000 0.856 471 R HN 0.435 nan 8.270 nan 0.000 0.436 472 L N 0.876 122.158 121.223 0.098 0.000 2.093 472 L HA -0.141 4.200 4.340 0.001 0.000 0.208 472 L C 2.378 179.262 176.870 0.023 0.000 1.085 472 L CA 1.259 56.165 54.840 0.109 0.000 0.755 472 L CB -0.356 41.806 42.059 0.171 0.000 0.904 472 L HN 0.227 nan 8.230 nan 0.000 0.435 473 E N 0.044 120.270 120.200 0.045 0.000 2.110 473 E HA -0.246 4.105 4.350 0.001 0.000 0.193 473 E C 1.996 178.610 176.600 0.023 0.000 0.988 473 E CA 1.234 57.633 56.400 -0.001 0.000 0.804 473 E CB -0.043 29.735 29.700 0.129 0.000 0.745 473 E HN 0.575 nan 8.360 nan 0.000 0.458 474 E N 0.853 121.082 120.200 0.049 0.000 2.110 474 E HA -0.191 4.160 4.350 0.001 0.000 0.193 474 E C 2.071 178.693 176.600 0.037 0.000 0.988 474 E CA 0.865 57.290 56.400 0.042 0.000 0.804 474 E CB -0.026 29.698 29.700 0.040 0.000 0.745 474 E HN 0.092 nan 8.360 nan 0.000 0.458 475 K N 1.045 121.477 120.400 0.052 0.000 2.057 475 K HA -0.117 4.204 4.320 0.001 0.000 0.206 475 K C 2.084 178.748 176.600 0.106 0.000 1.050 475 K CA 0.971 57.290 56.287 0.054 0.000 0.935 475 K CB 0.080 32.610 32.500 0.051 0.000 0.715 475 K HN -0.049 nan 8.250 nan 0.000 0.439 476 V N 1.709 121.706 119.914 0.139 0.000 2.255 476 V HA -0.274 3.846 4.120 0.001 0.000 0.247 476 V C 2.536 178.662 176.094 0.053 0.000 1.051 476 V CA 2.075 64.442 62.300 0.110 0.000 1.018 476 V CB -0.902 30.875 31.823 -0.076 0.000 0.641 476 V HN 0.526 nan 8.190 nan 0.000 0.445 477 A N -0.731 122.105 122.820 0.027 0.000 1.948 477 A HA -0.312 4.009 4.320 0.001 0.000 0.220 477 A C 2.276 179.874 177.584 0.024 0.000 1.177 477 A CA 2.276 54.327 52.037 0.022 0.000 0.636 477 A CB -0.515 18.500 19.000 0.024 0.000 0.815 477 A HN 0.650 nan 8.150 nan 0.000 0.449 478 E N -0.407 119.808 120.200 0.025 0.000 2.046 478 E HA -0.123 4.228 4.350 0.001 0.000 0.190 478 E C 1.993 178.600 176.600 0.012 0.000 0.982 478 E CA 1.639 58.047 56.400 0.013 0.000 0.800 478 E CB -0.113 29.587 29.700 0.001 0.000 0.756 478 E HN 0.563 nan 8.360 nan 0.000 0.449 479 V N -1.905 118.022 119.914 0.023 0.000 3.041 479 V HA 0.226 4.347 4.120 0.001 0.000 0.260 479 V C 1.049 177.167 176.094 0.039 0.000 1.105 479 V CA 0.703 63.017 62.300 0.023 0.000 1.125 479 V CB -0.918 30.913 31.823 0.013 0.000 0.730 479 V HN 0.376 nan 8.190 nan 0.000 0.479 480 G N 0.357 109.184 108.800 0.044 0.000 2.806 480 G HA2 -0.336 3.625 3.960 0.001 0.000 0.236 480 G HA3 -0.336 3.625 3.960 0.001 0.000 0.236 480 G C 0.321 175.249 174.900 0.046 0.000 1.387 480 G CA 0.260 45.380 45.100 0.035 0.000 0.884 480 G HN 0.929 nan 8.290 nan 0.000 0.560 481 I N -0.142 120.446 120.570 0.030 0.000 2.399 481 I HA -0.154 4.017 4.170 0.001 0.000 0.254 481 I C 2.691 178.840 176.117 0.053 0.000 1.146 481 I CA 2.944 64.263 61.300 0.031 0.000 1.412 481 I CB -0.096 37.911 38.000 0.011 0.000 1.076 481 I HN 0.662 nan 8.210 nan 0.000 0.432 482 T N 0.003 114.586 114.554 0.048 0.000 2.867 482 T HA -0.050 4.301 4.350 0.001 0.000 0.268 482 T C 1.591 176.335 174.700 0.073 0.000 1.057 482 T CA 1.224 63.356 62.100 0.054 0.000 1.136 482 T CB -0.554 68.334 68.868 0.034 0.000 0.874 482 T HN 0.609 nan 8.240 nan 0.000 0.466 483 G N 0.832 109.680 108.800 0.080 0.000 2.848 483 G HA2 0.113 4.073 3.960 0.001 0.000 0.208 483 G HA3 0.113 4.073 3.960 0.001 0.000 0.208 483 G C 0.598 175.626 174.900 0.214 0.000 1.152 483 G CA -0.106 45.051 45.100 0.096 0.000 0.789 483 G HN 0.449 nan 8.290 nan 0.000 0.531 484 L N 2.590 123.938 121.223 0.208 0.000 2.437 484 L HA 0.176 4.517 4.340 0.001 0.000 0.243 484 L C 0.329 177.353 176.870 0.257 0.000 1.346 484 L CA -0.765 54.221 54.840 0.244 0.000 1.233 484 L CB -0.941 41.190 42.059 0.120 0.000 1.436 484 L HN 0.269 nan 8.230 nan 0.000 0.416 485 N N 0.085 118.898 118.700 0.189 0.000 2.354 485 N HA 0.202 4.942 4.740 0.001 0.000 0.246 485 N C 1.222 176.612 175.510 -0.199 0.000 1.285 485 N CA 0.152 53.212 53.050 0.016 0.000 0.925 485 N CB 0.808 39.284 38.487 -0.019 0.000 1.174 485 N HN 0.198 nan 8.380 nan 0.000 0.478 486 A N -0.148 122.251 122.820 -0.701 0.000 1.978 486 A HA -0.215 4.106 4.320 0.001 0.000 0.220 486 A C 1.432 178.859 177.584 -0.261 0.000 1.170 486 A CA 1.670 53.220 52.037 -0.812 0.000 0.636 486 A CB -0.745 17.638 19.000 -1.028 0.000 0.810 486 A HN 0.787 nan 8.150 nan 0.000 0.448 487 D N -0.985 119.330 120.400 -0.140 0.000 2.084 487 D HA -0.112 4.528 4.640 0.001 0.000 0.196 487 D C 1.647 177.988 176.300 0.068 0.000 0.985 487 D CA 1.147 55.130 54.000 -0.029 0.000 0.826 487 D CB -0.589 40.203 40.800 -0.013 0.000 0.978 487 D HN 0.385 nan 8.370 nan 0.000 0.456 488 F N 1.470 121.369 119.950 -0.086 0.000 2.102 488 F HA -0.135 4.393 4.527 0.001 0.000 0.298 488 F C 2.111 177.873 175.800 -0.064 0.000 1.105 488 F CA 0.645 58.605 58.000 -0.066 0.000 1.239 488 F CB -0.696 38.267 39.000 -0.062 0.000 0.991 488 F HN -0.102 nan 8.300 nan 0.000 0.474 489 L N 0.881 122.046 121.223 -0.097 0.000 2.083 489 L HA -0.140 4.201 4.340 0.001 0.000 0.209 489 L C 2.612 179.370 176.870 -0.186 0.000 1.083 489 L CA 1.914 56.630 54.840 -0.207 0.000 0.752 489 L CB -0.910 41.159 42.059 0.017 0.000 0.899 489 L HN 0.211 nan 8.230 nan 0.000 0.433 490 R N -0.945 119.494 120.500 -0.101 0.000 2.115 490 R HA -0.182 4.159 4.340 0.001 0.000 0.226 490 R C 2.299 178.541 176.300 -0.096 0.000 1.100 490 R CA 1.466 57.508 56.100 -0.097 0.000 0.980 490 R CB -0.323 29.966 30.300 -0.019 0.000 0.875 490 R HN 0.637 nan 8.270 nan 0.000 0.445 491 Q N 0.621 120.391 119.800 -0.050 0.000 2.167 491 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 491 Q C 1.953 177.932 176.000 -0.035 0.000 0.970 491 Q CA 1.245 57.048 55.803 -0.000 0.000 0.855 491 Q CB 0.024 28.819 28.738 0.094 0.000 0.911 491 Q HN 0.457 nan 8.270 nan 0.000 0.438 492 L N 0.494 121.617 121.223 -0.167 0.000 2.072 492 L HA -0.154 4.187 4.340 0.001 0.000 0.205 492 L C 2.535 179.409 176.870 0.006 0.000 1.079 492 L CA 0.844 55.622 54.840 -0.104 0.000 0.752 492 L CB -0.389 41.388 42.059 -0.471 0.000 0.906 492 L HN 0.024 nan 8.230 nan 0.000 0.436 493 K N 0.475 120.732 120.400 -0.237 0.000 2.103 493 K HA -0.147 4.174 4.320 0.001 0.000 0.207 493 K C 2.156 178.553 176.600 -0.338 0.000 1.048 493 K CA 1.317 57.308 56.287 -0.493 0.000 0.930 493 K CB -0.388 31.372 32.500 -1.233 0.000 0.716 493 K HN 0.254 nan 8.250 nan 0.000 0.444 494 R N 0.742 121.145 120.500 -0.162 0.000 2.189 494 R HA -0.019 4.322 4.340 0.001 0.000 0.223 494 R C 1.218 177.552 176.300 0.058 0.000 1.092 494 R CA 0.780 56.898 56.100 0.031 0.000 0.989 494 R CB 0.155 30.492 30.300 0.062 0.000 0.876 494 R HN -0.019 nan 8.270 nan 0.000 0.457 495 K N -0.531 119.899 120.400 0.051 0.000 2.437 495 K HA 0.141 4.462 4.320 0.001 0.000 0.198 495 K C 0.740 177.290 176.600 -0.085 0.000 1.024 495 K CA 0.633 56.932 56.287 0.020 0.000 1.148 495 K CB 1.020 33.572 32.500 0.087 0.000 0.860 495 K HN 0.351 nan 8.250 nan 0.000 0.515 496 G N 1.460 110.247 108.800 -0.023 0.000 2.162 496 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 496 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 496 G C -0.018 174.836 174.900 -0.077 0.000 0.976 496 G CA -0.318 44.760 45.100 -0.036 0.000 0.655 496 G HN 0.245 nan 8.290 nan 0.000 0.533 497 F N 1.749 121.683 119.950 -0.027 0.000 2.578 497 F HA 0.486 5.013 4.527 0.001 0.000 0.376 497 F C 1.199 176.979 175.800 -0.034 0.000 1.085 497 F CA 0.437 58.421 58.000 -0.027 0.000 1.260 497 F CB 0.696 39.651 39.000 -0.075 0.000 1.095 497 F HN 0.372 nan 8.300 nan 0.000 0.573 498 A N 3.246 126.173 122.820 0.179 0.000 2.351 498 A HA 0.197 4.518 4.320 0.001 0.000 0.257 498 A C 1.144 178.785 177.584 0.095 0.000 1.087 498 A CA -0.665 51.440 52.037 0.113 0.000 0.798 498 A CB 0.287 19.343 19.000 0.094 0.000 1.033 498 A HN 0.765 nan 8.150 nan 0.000 0.488 499 D N 1.526 121.960 120.400 0.057 0.000 2.149 499 D HA -0.145 4.495 4.640 0.001 0.000 0.198 499 D C 2.158 178.475 176.300 0.028 0.000 0.990 499 D CA 1.972 55.987 54.000 0.026 0.000 0.839 499 D CB -0.328 40.486 40.800 0.023 0.000 0.948 499 D HN 0.647 nan 8.370 nan 0.000 0.460 500 A N 0.626 123.471 122.820 0.043 0.000 1.933 500 A HA -0.199 4.121 4.320 0.001 0.000 0.218 500 A C 2.204 179.820 177.584 0.053 0.000 1.175 500 A CA 1.800 53.860 52.037 0.039 0.000 0.628 500 A CB -0.361 18.661 19.000 0.037 0.000 0.814 500 A HN 0.082 nan 8.150 nan 0.000 0.444 501 R N -0.173 120.381 120.500 0.090 0.000 2.075 501 R HA 0.123 4.464 4.340 0.001 0.000 0.226 501 R C 1.877 178.223 176.300 0.077 0.000 1.114 501 R CA 1.220 57.395 56.100 0.125 0.000 0.972 501 R CB -0.671 29.773 30.300 0.240 0.000 0.869 501 R HN 0.500 nan 8.270 nan 0.000 0.437 502 L N -0.077 121.166 121.223 0.033 0.000 2.046 502 L HA -0.071 4.270 4.340 0.001 0.000 0.208 502 L C 2.500 179.349 176.870 -0.035 0.000 1.077 502 L CA 1.342 56.146 54.840 -0.060 0.000 0.747 502 L CB -0.739 41.252 42.059 -0.113 0.000 0.896 502 L HN 0.295 nan 8.230 nan 0.000 0.432 503 A N 0.418 123.231 122.820 -0.012 0.000 1.892 503 A HA -0.262 4.058 4.320 0.001 0.000 0.218 503 A C 2.347 179.931 177.584 0.000 0.000 1.188 503 A CA 2.006 54.039 52.037 -0.008 0.000 0.631 503 A CB -0.453 18.547 19.000 -0.001 0.000 0.822 503 A HN 0.346 nan 8.150 nan 0.000 0.447 504 K N -0.649 119.759 120.400 0.013 0.000 2.063 504 K HA -0.079 4.242 4.320 0.001 0.000 0.208 504 K C 1.860 178.469 176.600 0.015 0.000 1.048 504 K CA 1.491 57.789 56.287 0.018 0.000 0.928 504 K CB -0.401 32.118 32.500 0.032 0.000 0.713 504 K HN 0.485 nan 8.250 nan 0.000 0.442 505 L N 0.180 121.409 121.223 0.011 0.000 2.156 505 L HA -0.101 4.240 4.340 0.001 0.000 0.208 505 L C 2.340 179.210 176.870 0.001 0.000 1.095 505 L CA 0.860 55.703 54.840 0.006 0.000 0.770 505 L CB -0.272 41.780 42.059 -0.012 0.000 0.914 505 L HN 0.162 nan 8.230 nan 0.000 0.439 506 A N -0.637 122.178 122.820 -0.007 0.000 2.178 506 A HA 0.306 4.627 4.320 0.001 0.000 0.211 506 A C 1.641 179.227 177.584 0.002 0.000 1.157 506 A CA 0.677 52.712 52.037 -0.002 0.000 0.780 506 A CB -0.285 18.709 19.000 -0.011 0.000 0.828 506 A HN 0.455 nan 8.150 nan 0.000 0.476 507 G N -0.723 108.078 108.800 0.002 0.000 2.212 507 G HA2 -0.012 3.948 3.960 0.001 0.000 0.255 507 G HA3 -0.012 3.948 3.960 0.001 0.000 0.255 507 G C 0.170 175.071 174.900 0.001 0.000 1.062 507 G CA 0.669 45.771 45.100 0.003 0.000 0.815 507 G HN 1.794 nan 8.290 nan 0.000 0.497 508 V N -4.204 115.709 119.914 -0.002 0.000 3.155 508 V HA 0.938 5.058 4.120 0.001 0.000 0.313 508 V C 0.550 176.641 176.094 -0.005 0.000 1.162 508 V CA -1.916 60.381 62.300 -0.005 0.000 1.048 508 V CB 1.397 33.215 31.823 -0.009 0.000 1.092 508 V HN 0.354 nan 8.190 nan 0.000 0.447 509 R N 0.310 120.806 120.500 -0.007 0.000 2.615 509 R HA 0.293 4.634 4.340 0.001 0.000 0.270 509 R C 1.431 177.727 176.300 -0.007 0.000 1.081 509 R CA 0.381 56.478 56.100 -0.005 0.000 1.154 509 R CB 0.426 30.722 30.300 -0.006 0.000 1.063 509 R HN 0.968 nan 8.270 nan 0.000 0.519 510 E N 1.575 121.774 120.200 -0.003 0.000 2.110 510 E HA -0.231 4.120 4.350 0.001 0.000 0.193 510 E C 1.491 178.088 176.600 -0.005 0.000 0.988 510 E CA 1.404 57.803 56.400 -0.000 0.000 0.804 510 E CB 0.023 29.727 29.700 0.007 0.000 0.745 510 E HN 0.706 nan 8.360 nan 0.000 0.458 511 A N 1.150 123.967 122.820 -0.006 0.000 2.024 511 A HA -0.200 4.121 4.320 0.001 0.000 0.220 511 A C 1.919 179.492 177.584 -0.019 0.000 1.164 511 A CA 1.484 53.516 52.037 -0.008 0.000 0.643 511 A CB -0.400 18.596 19.000 -0.006 0.000 0.806 511 A HN 0.207 nan 8.150 nan 0.000 0.451 512 E N -0.042 120.144 120.200 -0.023 0.000 2.110 512 E HA -0.126 4.225 4.350 0.001 0.000 0.193 512 E C 1.924 178.493 176.600 -0.052 0.000 0.988 512 E CA 0.759 57.138 56.400 -0.035 0.000 0.804 512 E CB -0.313 29.371 29.700 -0.027 0.000 0.745 512 E HN 0.565 nan 8.360 nan 0.000 0.458 513 I N 0.405 120.948 120.570 -0.043 0.000 2.286 513 I HA -0.158 4.013 4.170 0.001 0.000 0.245 513 I C 2.478 178.557 176.117 -0.063 0.000 1.104 513 I CA 0.880 62.147 61.300 -0.055 0.000 1.397 513 I CB -0.872 37.104 38.000 -0.039 0.000 1.072 513 I HN 0.111 nan 8.210 nan 0.000 0.417 514 R N 1.312 121.791 120.500 -0.035 0.000 2.120 514 R HA -0.170 4.171 4.340 0.001 0.000 0.234 514 R C 2.221 178.496 176.300 -0.042 0.000 1.123 514 R CA 1.319 57.406 56.100 -0.021 0.000 0.975 514 R CB 0.001 30.307 30.300 0.011 0.000 0.866 514 R HN 0.228 nan 8.270 nan 0.000 0.446 515 K N 0.226 120.592 120.400 -0.057 0.000 2.032 515 K HA -0.173 4.147 4.320 0.001 0.000 0.209 515 K C 2.030 178.541 176.600 -0.148 0.000 1.048 515 K CA 1.414 57.657 56.287 -0.073 0.000 0.927 515 K CB -0.254 32.206 32.500 -0.068 0.000 0.712 515 K HN 0.082 nan 8.250 nan 0.000 0.441 516 L N 1.760 122.854 121.223 -0.215 0.000 2.013 516 L HA -0.225 4.115 4.340 0.001 0.000 0.212 516 L C 2.101 178.659 176.870 -0.520 0.000 1.073 516 L CA 1.737 56.318 54.840 -0.431 0.000 0.753 516 L CB -0.362 41.499 42.059 -0.329 0.000 0.890 516 L HN 0.103 nan 8.230 nan 0.000 0.432 517 R N -0.804 119.548 120.500 -0.246 0.000 2.092 517 R HA -0.139 4.202 4.340 0.001 0.000 0.231 517 R C 1.890 178.088 176.300 -0.170 0.000 1.119 517 R CA 1.321 57.322 56.100 -0.165 0.000 0.970 517 R CB -0.485 29.729 30.300 -0.144 0.000 0.864 517 R HN 0.448 nan 8.270 nan 0.000 0.440 518 D N 0.510 120.858 120.400 -0.087 0.000 2.144 518 D HA -0.171 4.470 4.640 0.001 0.000 0.199 518 D C 1.868 178.194 176.300 0.044 0.000 0.984 518 D CA 1.018 55.060 54.000 0.070 0.000 0.834 518 D CB -0.064 40.788 40.800 0.087 0.000 0.955 518 D HN 0.263 nan 8.370 nan 0.000 0.465 519 Q N -0.664 119.083 119.800 -0.087 0.000 2.084 519 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 519 Q C 1.246 177.279 176.000 0.057 0.000 0.978 519 Q CA 1.068 56.811 55.803 -0.099 0.000 0.844 519 Q CB 0.082 28.637 28.738 -0.305 0.000 0.898 519 Q HN 0.351 nan 8.270 nan 0.000 0.426 520 Y N -0.035 120.268 120.300 0.005 0.000 2.482 520 Y HA 0.085 4.635 4.550 0.001 0.000 0.270 520 Y C 0.143 176.053 175.900 0.017 0.000 1.152 520 Y CA 0.302 58.405 58.100 0.005 0.000 1.292 520 Y CB -0.008 38.442 38.460 -0.017 0.000 1.070 520 Y HN 0.192 nan 8.280 nan 0.000 0.528 521 D N -0.000 120.500 120.400 0.167 0.000 2.716 521 D HA -0.195 4.446 4.640 0.001 0.000 0.239 521 D C -0.942 175.415 176.300 0.094 0.000 1.125 521 D CA 0.235 54.355 54.000 0.200 0.000 0.681 521 D CB -1.218 39.706 40.800 0.207 0.000 1.070 521 D HN 0.159 nan 8.370 nan 0.000 0.432 522 L N 2.729 123.854 121.223 -0.164 0.000 2.335 522 L HA 0.454 4.794 4.340 0.001 0.000 0.268 522 L C -0.858 175.837 176.870 -0.291 0.000 1.037 522 L CA -0.412 54.386 54.840 -0.069 0.000 0.895 522 L CB 0.564 42.658 42.059 0.059 0.000 1.266 522 L HN 0.167 nan 8.230 nan 0.000 0.439 523 H N 3.775 122.956 119.070 0.185 0.000 2.771 523 H HA 0.655 5.212 4.556 0.001 0.000 0.367 523 H C -2.540 172.608 175.328 -0.300 0.000 1.172 523 H CA -1.762 54.316 56.048 0.049 0.000 1.186 523 H CB 1.791 31.565 29.762 0.020 0.000 1.790 523 H HN 0.360 nan 8.280 nan 0.000 0.556 524 P HA 0.172 nan 4.420 nan 0.000 0.280 524 P C -0.366 176.587 177.300 -0.577 0.000 1.272 524 P CA -0.598 61.912 63.100 -0.983 0.000 0.819 524 P CB 1.464 32.533 31.700 -1.052 0.000 1.122 525 V N -1.926 117.638 119.914 -0.584 0.000 2.994 525 V HA 0.579 4.700 4.120 0.001 0.000 0.318 525 V C -1.097 174.626 176.094 -0.618 0.000 1.085 525 V CA -0.904 61.163 62.300 -0.389 0.000 0.998 525 V CB 1.115 32.828 31.823 -0.182 0.000 1.063 525 V HN 0.324 nan 8.190 nan 0.000 0.447 526 Y N 1.519 121.740 120.300 -0.131 0.000 2.335 526 Y HA 0.707 5.258 4.550 0.001 0.000 0.338 526 Y C 0.406 176.135 175.900 -0.285 0.000 0.977 526 Y CA -0.722 57.270 58.100 -0.180 0.000 1.114 526 Y CB 1.821 40.279 38.460 -0.003 0.000 1.182 526 Y HN 0.539 nan 8.280 nan 0.000 0.463 527 K N 3.175 123.282 120.400 -0.488 0.000 2.238 527 K HA 0.607 4.928 4.320 0.001 0.000 0.239 527 K C -0.455 175.908 176.600 -0.395 0.000 0.987 527 K CA -0.984 55.028 56.287 -0.457 0.000 0.857 527 K CB 1.936 34.134 32.500 -0.504 0.000 1.154 527 K HN 0.695 nan 8.250 nan 0.000 0.439 528 R N 0.234 120.653 120.500 -0.135 0.000 2.732 528 R HA 0.455 4.796 4.340 0.001 0.000 0.278 528 R C -0.339 175.996 176.300 0.058 0.000 0.976 528 R CA -1.043 55.027 56.100 -0.050 0.000 0.963 528 R CB 1.436 31.726 30.300 -0.017 0.000 1.150 528 R HN 0.196 nan 8.270 nan 0.000 0.478 529 V N 2.265 122.147 119.914 -0.053 0.000 2.583 529 V HA 0.026 4.147 4.120 0.001 0.000 0.287 529 V C 0.307 176.449 176.094 0.081 0.000 1.051 529 V CA 0.453 62.736 62.300 -0.027 0.000 1.010 529 V CB 1.241 32.766 31.823 -0.497 0.000 0.988 529 V HN 0.992 nan 8.190 nan 0.000 0.478 530 D N 0.377 120.876 120.400 0.166 0.000 2.480 530 D HA 0.032 4.673 4.640 0.001 0.000 0.276 530 D C 0.889 177.304 176.300 0.192 0.000 1.294 530 D CA 0.780 54.865 54.000 0.142 0.000 0.829 530 D CB 0.013 40.891 40.800 0.130 0.000 1.242 530 D HN 0.791 nan 8.370 nan 0.000 0.513 531 T N -2.047 112.655 114.554 0.247 0.000 7.679 531 T HA -0.356 3.994 4.350 0.001 0.000 0.300 531 T C 1.018 175.939 174.700 0.367 0.000 2.098 531 T CA 1.425 63.731 62.100 0.343 0.000 3.313 531 T CB -2.959 66.233 68.868 0.541 0.000 1.898 531 T HN 0.997 nan 8.240 nan 0.000 1.144 532 C N 0.249 119.714 119.300 0.274 0.000 3.245 532 C HA 0.885 5.346 4.460 0.001 0.000 0.254 532 C C 1.630 176.713 174.990 0.156 0.000 1.931 532 C CA -0.228 58.958 59.018 0.280 0.000 1.726 532 C CB -0.438 27.547 27.740 0.409 0.000 3.348 532 C HN 2.215 nan 8.230 nan 0.000 0.458 533 A N 0.178 123.054 122.820 0.094 0.000 2.799 533 A HA 0.241 4.562 4.320 0.001 0.000 0.287 533 A C 1.637 179.241 177.584 0.033 0.000 1.484 533 A CA 1.757 53.818 52.037 0.039 0.000 0.813 533 A CB -1.849 17.152 19.000 0.002 0.000 1.009 533 A HN 2.883 nan 8.150 nan 0.000 0.545 534 A N -2.346 120.509 122.820 0.058 0.000 3.021 534 A HA -0.295 4.025 4.320 0.001 0.000 0.257 534 A C 1.106 178.644 177.584 -0.077 0.000 1.277 534 A CA 2.158 54.206 52.037 0.018 0.000 1.012 534 A CB -2.292 16.717 19.000 0.015 0.000 1.147 534 A HN 1.942 nan 8.150 nan 0.000 0.861 535 E N -1.609 118.502 120.200 -0.147 0.000 2.338 535 E HA 0.155 4.505 4.350 0.001 0.000 0.197 535 E C 0.059 176.066 176.600 -0.987 0.000 1.007 535 E CA 0.896 56.986 56.400 -0.517 0.000 0.849 535 E CB -0.013 29.344 29.700 -0.572 0.000 0.774 535 E HN 0.757 nan 8.360 nan 0.000 0.506 536 F N -0.885 119.052 119.950 -0.022 0.000 2.613 536 F HA 0.527 5.055 4.527 0.001 0.000 0.310 536 F C 0.063 175.848 175.800 -0.026 0.000 1.085 536 F CA -1.043 56.936 58.000 -0.035 0.000 0.945 536 F CB 1.202 40.161 39.000 -0.068 0.000 1.298 536 F HN -0.196 nan 8.300 nan 0.000 0.455 537 A N 0.711 123.628 122.820 0.161 0.000 2.346 537 A HA 0.605 4.926 4.320 0.001 0.000 0.252 537 A C -0.076 177.552 177.584 0.074 0.000 1.089 537 A CA 0.009 52.097 52.037 0.085 0.000 0.797 537 A CB 0.572 19.604 19.000 0.054 0.000 1.047 537 A HN 0.754 nan 8.150 nan 0.000 0.494 538 T N -1.020 113.557 114.554 0.040 0.000 2.900 538 T HA 0.469 4.820 4.350 0.001 0.000 0.295 538 T C -0.648 174.054 174.700 0.002 0.000 1.044 538 T CA -0.629 61.479 62.100 0.014 0.000 0.995 538 T CB 1.208 70.083 68.868 0.012 0.000 1.072 538 T HN 0.509 nan 8.240 nan 0.000 0.473 539 D N 2.390 122.783 120.400 -0.012 0.000 2.395 539 D HA 0.178 4.818 4.640 0.001 0.000 0.213 539 D C 0.216 176.510 176.300 -0.010 0.000 1.110 539 D CA 0.131 54.126 54.000 -0.008 0.000 0.835 539 D CB 0.810 41.605 40.800 -0.008 0.000 0.965 539 D HN 0.481 nan 8.370 nan 0.000 0.505 540 T N 0.519 115.059 114.554 -0.023 0.000 2.928 540 T HA 0.536 4.886 4.350 0.001 0.000 0.284 540 T C 0.236 174.939 174.700 0.006 0.000 1.008 540 T CA -0.525 61.563 62.100 -0.019 0.000 1.057 540 T CB 2.156 70.966 68.868 -0.097 0.000 1.018 540 T HN -0.060 nan 8.240 nan 0.000 0.493 541 A N 2.650 125.485 122.820 0.024 0.000 3.047 541 A HA 0.422 4.742 4.320 0.001 0.000 0.337 541 A C -0.952 176.655 177.584 0.038 0.000 1.143 541 A CA -0.472 51.560 52.037 -0.009 0.000 0.905 541 A CB -0.261 18.701 19.000 -0.064 0.000 1.088 541 A HN 0.702 nan 8.150 nan 0.000 0.488 542 Y N 2.350 122.616 120.300 -0.056 0.000 2.491 542 Y HA 0.724 5.275 4.550 0.001 0.000 0.334 542 Y C -0.532 175.369 175.900 0.001 0.000 0.969 542 Y CA -1.626 56.481 58.100 0.012 0.000 1.241 542 Y CB 0.487 39.001 38.460 0.091 0.000 1.105 542 Y HN 0.542 nan 8.280 nan 0.000 0.503 543 M N 6.383 126.029 119.600 0.077 0.000 2.716 543 M HA 0.526 5.007 4.480 0.001 0.000 0.307 543 M C -1.512 174.917 176.300 0.216 0.000 1.223 543 M CA -1.036 54.248 55.300 -0.026 0.000 0.871 543 M CB 2.798 35.251 32.600 -0.245 0.000 1.739 543 M HN 0.519 nan 8.290 nan 0.000 0.475 544 Y N -1.764 118.613 120.300 0.127 0.000 2.562 544 Y HA 0.821 5.372 4.550 0.001 0.000 0.345 544 Y C -0.737 175.270 175.900 0.179 0.000 1.045 544 Y CA -1.385 56.825 58.100 0.183 0.000 1.028 544 Y CB 0.838 39.282 38.460 -0.026 0.000 1.297 544 Y HN 0.700 nan 8.280 nan 0.000 0.463 545 S N 1.127 116.915 115.700 0.146 0.000 2.616 545 S HA 0.806 5.277 4.470 0.001 0.000 0.277 545 S C -0.363 174.169 174.600 -0.114 0.000 1.234 545 S CA -0.052 57.944 58.200 -0.340 0.000 1.028 545 S CB 1.782 64.766 63.200 -0.361 0.000 0.988 545 S HN 1.135 nan 8.310 nan 0.000 0.522 546 T N 0.285 114.670 114.554 -0.280 0.000 2.830 546 T HA 0.410 4.761 4.350 0.001 0.000 0.322 546 T C -2.093 172.471 174.700 -0.227 0.000 1.501 546 T CA -0.619 61.442 62.100 -0.066 0.000 1.036 546 T CB 0.668 69.584 68.868 0.081 0.000 1.379 546 T HN 0.572 nan 8.240 nan 0.000 0.493 547 Y N 2.251 122.540 120.300 -0.018 0.000 2.724 547 Y HA 0.491 5.042 4.550 0.001 0.000 0.332 547 Y C 0.915 176.815 175.900 -0.000 0.000 1.276 547 Y CA -0.243 57.848 58.100 -0.016 0.000 1.597 547 Y CB 0.374 38.835 38.460 0.003 0.000 1.584 547 Y HN 0.562 nan 8.280 nan 0.000 0.478 548 E N -0.109 120.091 120.200 -0.000 0.000 2.493 548 E HA 0.265 4.615 4.350 0.001 0.000 0.243 548 E C 0.483 177.086 176.600 0.005 0.000 0.875 548 E CA -0.573 55.839 56.400 0.021 0.000 0.872 548 E CB 1.185 30.898 29.700 0.022 0.000 1.476 548 E HN 0.269 nan 8.360 nan 0.000 0.394 549 E N 0.698 120.904 120.200 0.011 0.000 2.035 549 E HA -0.017 4.334 4.350 0.001 0.000 0.191 549 E C -0.043 176.557 176.600 0.000 0.000 0.966 549 E CA 0.553 56.960 56.400 0.012 0.000 0.823 549 E CB -0.079 29.632 29.700 0.019 0.000 0.791 549 E HN 0.405 nan 8.360 nan 0.000 0.459 550 E N 0.799 120.998 120.200 -0.003 0.000 2.259 550 E HA 0.097 4.448 4.350 0.001 0.000 0.281 550 E C -0.969 175.621 176.600 -0.016 0.000 1.037 550 E CA -0.206 56.191 56.400 -0.004 0.000 0.854 550 E CB 0.894 30.594 29.700 0.000 0.000 1.051 550 E HN 0.046 nan 8.360 nan 0.000 0.409 551 C N 4.611 123.910 119.300 -0.003 0.000 2.388 551 C HA 0.278 4.739 4.460 0.001 0.000 0.362 551 C C 0.509 175.511 174.990 0.019 0.000 1.266 551 C CA -0.255 58.769 59.018 0.011 0.000 2.028 551 C CB -0.078 27.689 27.740 0.045 0.000 2.440 551 C HN 0.930 nan 8.230 nan 0.000 0.547 552 E N 2.818 123.032 120.200 0.023 0.000 2.660 552 E HA 0.154 4.504 4.350 0.001 0.000 0.216 552 E C 1.372 177.987 176.600 0.024 0.000 0.986 552 E CA 0.179 56.586 56.400 0.012 0.000 1.037 552 E CB 0.511 30.203 29.700 -0.013 0.000 1.041 552 E HN 0.790 nan 8.360 nan 0.000 0.480 553 A N 2.101 124.962 122.820 0.069 0.000 1.851 553 A HA -0.223 4.097 4.320 0.001 0.000 0.216 553 A C 0.883 178.481 177.584 0.024 0.000 1.195 553 A CA 1.124 53.195 52.037 0.056 0.000 0.622 553 A CB -0.392 18.672 19.000 0.107 0.000 0.831 553 A HN 0.327 nan 8.150 nan 0.000 0.444 554 N N -0.809 117.911 118.700 0.033 0.000 2.688 554 N HA -0.104 4.637 4.740 0.001 0.000 0.258 554 N C -2.499 173.022 175.510 0.019 0.000 1.016 554 N CA 1.122 54.184 53.050 0.021 0.000 0.747 554 N CB -1.828 36.667 38.487 0.013 0.000 0.895 554 N HN 0.447 nan 8.380 nan 0.000 0.543 555 P HA 0.043 nan 4.420 nan 0.000 0.270 555 P C 0.239 177.550 177.300 0.019 0.000 1.221 555 P CA -0.058 63.058 63.100 0.026 0.000 0.788 555 P CB 0.473 32.186 31.700 0.022 0.000 0.904 556 S N -1.271 114.441 115.700 0.020 0.000 2.525 556 S HA 0.407 4.877 4.470 0.001 0.000 0.290 556 S C 0.803 175.412 174.600 0.015 0.000 1.152 556 S CA 0.111 58.321 58.200 0.017 0.000 1.072 556 S CB 0.720 63.932 63.200 0.019 0.000 1.027 556 S HN 0.591 nan 8.310 nan 0.000 0.500 557 T N -0.924 113.637 114.554 0.011 0.000 3.054 557 T HA 0.170 4.520 4.350 0.001 0.000 0.255 557 T C 0.847 175.553 174.700 0.009 0.000 1.035 557 T CA 0.142 62.248 62.100 0.009 0.000 0.941 557 T CB -0.068 68.804 68.868 0.007 0.000 1.026 557 T HN 0.541 nan 8.240 nan 0.000 0.533 558 D N 2.011 122.416 120.400 0.009 0.000 2.075 558 D HA 0.015 4.655 4.640 0.001 0.000 0.196 558 D C 1.026 177.330 176.300 0.007 0.000 0.985 558 D CA 0.935 54.939 54.000 0.006 0.000 0.834 558 D CB 0.238 41.042 40.800 0.008 0.000 0.987 558 D HN 0.342 nan 8.370 nan 0.000 0.452 559 R N 0.697 121.206 120.500 0.015 0.000 2.674 559 R HA 0.359 4.700 4.340 0.001 0.000 0.266 559 R C -0.105 176.222 176.300 0.044 0.000 1.016 559 R CA -0.520 55.593 56.100 0.021 0.000 1.062 559 R CB 0.815 31.133 30.300 0.029 0.000 1.142 559 R HN 0.159 nan 8.270 nan 0.000 0.517 560 E N 2.350 122.589 120.200 0.067 0.000 2.180 560 E HA 0.109 4.460 4.350 0.001 0.000 0.283 560 E C -0.599 176.122 176.600 0.201 0.000 1.061 560 E CA -0.016 56.465 56.400 0.136 0.000 0.861 560 E CB 1.016 30.832 29.700 0.193 0.000 1.056 560 E HN 0.155 nan 8.360 nan 0.000 0.407 561 K N 3.095 123.570 120.400 0.125 0.000 2.138 561 K HA 0.486 4.807 4.320 0.001 0.000 0.263 561 K C -0.314 176.301 176.600 0.025 0.000 0.965 561 K CA -0.776 55.566 56.287 0.092 0.000 0.868 561 K CB 1.583 34.113 32.500 0.049 0.000 1.083 561 K HN 0.293 nan 8.250 nan 0.000 0.443 562 I N 3.137 123.698 120.570 -0.016 0.000 2.406 562 I HA 0.318 4.489 4.170 0.001 0.000 0.290 562 I C -0.386 175.690 176.117 -0.068 0.000 0.999 562 I CA -0.597 60.632 61.300 -0.119 0.000 1.124 562 I CB 1.493 39.328 38.000 -0.273 0.000 1.289 562 I HN 0.673 nan 8.210 nan 0.000 0.441 563 M N 6.003 125.556 119.600 -0.077 0.000 2.404 563 M HA 0.555 5.036 4.480 0.001 0.000 0.338 563 M C -1.294 174.965 176.300 -0.069 0.000 1.150 563 M CA -0.618 54.650 55.300 -0.054 0.000 1.016 563 M CB 1.987 34.550 32.600 -0.062 0.000 1.672 563 M HN 0.281 nan 8.290 nan 0.000 0.448 564 V N 5.913 125.802 119.914 -0.041 0.000 2.444 564 V HA 0.439 4.559 4.120 0.001 0.000 0.294 564 V C -0.552 175.533 176.094 -0.015 0.000 1.022 564 V CA -0.739 61.538 62.300 -0.038 0.000 0.850 564 V CB 1.773 33.588 31.823 -0.014 0.000 0.992 564 V HN 0.751 nan 8.190 nan 0.000 0.426 565 L N 4.567 125.781 121.223 -0.016 0.000 2.282 565 L HA 0.650 4.990 4.340 0.001 0.000 0.288 565 L C 1.046 177.922 176.870 0.011 0.000 1.033 565 L CA -0.203 54.630 54.840 -0.011 0.000 0.807 565 L CB 1.335 43.380 42.059 -0.023 0.000 1.209 565 L HN 0.763 nan 8.230 nan 0.000 0.423 566 G N 1.433 110.231 108.800 -0.004 0.000 2.588 566 G HA2 0.367 4.327 3.960 0.001 0.000 0.278 566 G HA3 0.367 4.327 3.960 0.001 0.000 0.278 566 G C 0.746 175.635 174.900 -0.017 0.000 1.307 566 G CA 0.043 45.141 45.100 -0.002 0.000 1.016 566 G HN 0.770 nan 8.290 nan 0.000 0.503 567 G N -1.695 107.093 108.800 -0.020 0.000 3.277 567 G HA2 0.526 4.487 3.960 0.001 0.000 0.243 567 G HA3 0.526 4.487 3.960 0.001 0.000 0.243 567 G C 0.965 175.831 174.900 -0.057 0.000 1.107 567 G CA 0.831 45.902 45.100 -0.048 0.000 0.771 567 G HN 1.809 nan 8.290 nan 0.000 0.544 568 G N 0.828 109.590 108.800 -0.063 0.000 2.539 568 G HA2 -0.194 3.766 3.960 0.001 0.000 0.256 568 G HA3 -0.194 3.766 3.960 0.001 0.000 0.256 568 G C -2.438 172.427 174.900 -0.059 0.000 1.233 568 G CA -0.274 44.786 45.100 -0.067 0.000 0.936 568 G HN 0.362 nan 8.290 nan 0.000 0.571 569 P HA 0.220 nan 4.420 nan 0.000 0.269 569 P C -0.137 177.138 177.300 -0.041 0.000 1.209 569 P CA -0.017 63.057 63.100 -0.045 0.000 0.776 569 P CB 0.167 31.842 31.700 -0.043 0.000 0.876 570 N N 1.994 120.672 118.700 -0.036 0.000 2.503 570 N HA 0.412 5.153 4.740 0.001 0.000 0.267 570 N C 0.016 175.506 175.510 -0.033 0.000 1.214 570 N CA -0.351 52.687 53.050 -0.019 0.000 0.959 570 N CB 0.467 38.951 38.487 -0.004 0.000 1.142 570 N HN 0.314 nan 8.380 nan 0.000 0.455 571 R N 0.396 120.884 120.500 -0.021 0.000 2.831 571 R HA 0.481 4.821 4.340 0.001 0.000 0.266 571 R C -0.912 175.385 176.300 -0.006 0.000 1.051 571 R CA -0.881 55.205 56.100 -0.024 0.000 0.943 571 R CB 0.468 30.748 30.300 -0.033 0.000 1.228 571 R HN 0.411 nan 8.270 nan 0.000 0.467 572 I N 1.689 122.256 120.570 -0.004 0.000 2.683 572 I HA 0.160 4.330 4.170 0.001 0.000 0.286 572 I C 1.207 177.311 176.117 -0.022 0.000 1.175 572 I CA 1.867 63.164 61.300 -0.005 0.000 1.429 572 I CB 0.453 38.451 38.000 -0.003 0.000 1.371 572 I HN 0.949 nan 8.210 nan 0.000 0.569 573 G N 4.594 113.401 108.800 0.013 0.000 2.234 573 G HA2 -0.211 3.750 3.960 0.001 0.000 0.235 573 G HA3 -0.211 3.750 3.960 0.001 0.000 0.235 573 G C 0.344 175.325 174.900 0.136 0.000 0.997 573 G CA -0.384 44.741 45.100 0.042 0.000 0.623 573 G HN 0.523 nan 8.290 nan 0.000 0.514 574 Q N 1.165 121.016 119.800 0.086 0.000 2.831 574 Q HA 0.519 4.860 4.340 0.001 0.000 0.366 574 Q C 0.820 176.939 176.000 0.199 0.000 0.899 574 Q CA 0.354 56.192 55.803 0.059 0.000 0.987 574 Q CB 0.712 29.380 28.738 -0.117 0.000 1.382 574 Q HN 0.574 nan 8.270 nan 0.000 0.403 575 G N 0.185 109.176 108.800 0.319 0.000 2.531 575 G HA2 0.276 4.237 3.960 0.001 0.000 0.253 575 G HA3 0.276 4.237 3.960 0.001 0.000 0.253 575 G C 0.826 175.828 174.900 0.170 0.000 1.439 575 G CA -0.526 44.676 45.100 0.170 0.000 1.056 575 G HN 0.435 nan 8.290 nan 0.000 0.555 576 I N -0.313 120.297 120.570 0.067 0.000 2.361 576 I HA -0.138 4.033 4.170 0.001 0.000 0.251 576 I C 2.624 178.753 176.117 0.020 0.000 1.133 576 I CA 1.544 62.874 61.300 0.050 0.000 1.413 576 I CB -0.041 37.980 38.000 0.035 0.000 1.073 576 I HN 0.576 nan 8.210 nan 0.000 0.424 577 E N 0.533 120.670 120.200 -0.106 0.000 2.130 577 E HA -0.257 4.094 4.350 0.001 0.000 0.196 577 E C 1.847 178.272 176.600 -0.292 0.000 0.998 577 E CA 1.868 58.097 56.400 -0.284 0.000 0.806 577 E CB -0.386 29.018 29.700 -0.494 0.000 0.738 577 E HN 0.535 nan 8.360 nan 0.000 0.459 578 F N 0.446 120.395 119.950 -0.002 0.000 2.206 578 F HA -0.066 4.461 4.527 0.001 0.000 0.298 578 F C 2.088 177.901 175.800 0.021 0.000 1.090 578 F CA 1.211 59.208 58.000 -0.004 0.000 1.323 578 F CB -0.402 38.595 39.000 -0.004 0.000 1.028 578 F HN -0.021 nan 8.300 nan 0.000 0.492 579 D N -0.935 119.574 120.400 0.182 0.000 2.117 579 D HA -0.262 4.379 4.640 0.001 0.000 0.198 579 D C 2.139 178.492 176.300 0.088 0.000 0.982 579 D CA 1.016 55.087 54.000 0.118 0.000 0.828 579 D CB -0.289 40.562 40.800 0.084 0.000 0.967 579 D HN 0.288 nan 8.370 nan 0.000 0.464 580 Y N 0.528 120.784 120.300 -0.072 0.000 2.114 580 Y HA -0.332 4.219 4.550 0.001 0.000 0.282 580 Y C 2.216 177.985 175.900 -0.218 0.000 1.165 580 Y CA 1.729 59.732 58.100 -0.161 0.000 1.148 580 Y CB -0.521 37.806 38.460 -0.220 0.000 0.972 580 Y HN 0.151 nan 8.280 nan 0.000 0.504 581 C N -0.887 118.410 119.300 -0.006 0.000 2.432 581 C HA -0.210 4.251 4.460 0.001 0.000 0.277 581 C C 2.987 178.038 174.990 0.102 0.000 1.249 581 C CA 0.982 59.925 59.018 -0.124 0.000 1.725 581 C CB -1.679 25.818 27.740 -0.405 0.000 2.028 581 C HN 0.796 nan 8.230 nan 0.000 0.477 582 C N 0.334 119.733 119.300 0.166 0.000 2.398 582 C HA -0.125 4.336 4.460 0.001 0.000 0.276 582 C C 2.767 177.837 174.990 0.133 0.000 1.222 582 C CA 1.279 60.423 59.018 0.210 0.000 1.746 582 C CB -1.408 26.414 27.740 0.137 0.000 2.039 582 C HN 0.548 nan 8.230 nan 0.000 0.470 583 V N -0.371 119.576 119.914 0.055 0.000 2.295 583 V HA -0.265 3.856 4.120 0.001 0.000 0.246 583 V C 2.300 178.457 176.094 0.105 0.000 1.049 583 V CA 2.141 64.466 62.300 0.042 0.000 1.024 583 V CB -0.900 30.917 31.823 -0.011 0.000 0.648 583 V HN 0.663 nan 8.190 nan 0.000 0.447 584 H N -0.461 118.541 119.070 -0.113 0.000 2.352 584 H HA -0.175 4.382 4.556 0.001 0.000 0.299 584 H C 2.342 177.685 175.328 0.025 0.000 1.097 584 H CA 1.176 57.172 56.048 -0.086 0.000 1.311 584 H CB 0.014 29.698 29.762 -0.130 0.000 1.377 584 H HN 0.487 nan 8.280 nan 0.000 0.504 585 A N 0.317 123.284 122.820 0.245 0.000 1.883 585 A HA -0.238 4.082 4.320 0.001 0.000 0.217 585 A C 2.575 180.194 177.584 0.058 0.000 1.186 585 A CA 1.946 54.073 52.037 0.150 0.000 0.624 585 A CB -0.838 18.224 19.000 0.103 0.000 0.822 585 A HN 0.405 nan 8.150 nan 0.000 0.444 586 S N -0.400 115.336 115.700 0.061 0.000 2.356 586 S HA -0.116 4.355 4.470 0.001 0.000 0.223 586 S C 1.964 176.582 174.600 0.030 0.000 1.032 586 S CA 1.543 59.765 58.200 0.037 0.000 1.005 586 S CB -0.555 62.668 63.200 0.037 0.000 0.867 586 S HN 0.475 nan 8.310 nan 0.000 0.449 587 L N 1.176 122.408 121.223 0.016 0.000 2.083 587 L HA -0.036 4.304 4.340 0.001 0.000 0.209 587 L C 2.988 179.849 176.870 -0.014 0.000 1.083 587 L CA 1.162 55.993 54.840 -0.014 0.000 0.752 587 L CB -0.847 41.171 42.059 -0.067 0.000 0.899 587 L HN 0.411 nan 8.230 nan 0.000 0.433 588 A N 0.680 123.493 122.820 -0.012 0.000 1.835 588 A HA -0.160 4.160 4.320 0.001 0.000 0.215 588 A C 2.254 179.871 177.584 0.056 0.000 1.199 588 A CA 1.543 53.584 52.037 0.007 0.000 0.615 588 A CB -0.889 18.122 19.000 0.017 0.000 0.838 588 A HN 0.340 nan 8.150 nan 0.000 0.444 589 L N -1.050 120.218 121.223 0.076 0.000 2.131 589 L HA -0.167 4.174 4.340 0.001 0.000 0.210 589 L C 2.801 179.786 176.870 0.193 0.000 1.092 589 L CA 1.635 56.575 54.840 0.167 0.000 0.759 589 L CB -0.482 41.603 42.059 0.045 0.000 0.903 589 L HN 0.484 nan 8.230 nan 0.000 0.435 590 R N 0.644 121.206 120.500 0.103 0.000 2.090 590 R HA -0.215 4.125 4.340 0.001 0.000 0.228 590 R C 2.209 178.541 176.300 0.053 0.000 1.110 590 R CA 1.659 57.808 56.100 0.081 0.000 0.973 590 R CB 0.005 30.335 30.300 0.051 0.000 0.869 590 R HN 0.329 nan 8.270 nan 0.000 0.440 591 E N 0.554 120.777 120.200 0.038 0.000 2.106 591 E HA -0.178 4.173 4.350 0.001 0.000 0.192 591 E C 0.949 177.557 176.600 0.014 0.000 0.984 591 E CA 1.746 58.156 56.400 0.016 0.000 0.806 591 E CB -0.053 29.648 29.700 0.001 0.000 0.750 591 E HN 0.270 nan 8.360 nan 0.000 0.458 592 D N -0.982 119.443 120.400 0.041 0.000 2.378 592 D HA 0.043 4.684 4.640 0.001 0.000 0.222 592 D C 1.099 177.350 176.300 -0.082 0.000 0.980 592 D CA 1.165 55.173 54.000 0.014 0.000 0.907 592 D CB 0.358 41.222 40.800 0.106 0.000 0.899 592 D HN 0.425 nan 8.370 nan 0.000 0.527 593 G N -1.011 107.757 108.800 -0.053 0.000 2.195 593 G HA2 -0.268 3.692 3.960 0.001 0.000 0.224 593 G HA3 -0.268 3.692 3.960 0.001 0.000 0.224 593 G C 0.065 174.898 174.900 -0.113 0.000 0.990 593 G CA -0.390 44.647 45.100 -0.105 0.000 0.639 593 G HN 0.274 nan 8.290 nan 0.000 0.514 594 Y N 1.054 121.351 120.300 -0.004 0.000 2.357 594 Y HA 0.454 5.005 4.550 0.001 0.000 0.340 594 Y C 1.036 176.936 175.900 0.001 0.000 1.260 594 Y CA 0.247 58.345 58.100 -0.003 0.000 1.425 594 Y CB 0.592 39.048 38.460 -0.007 0.000 1.326 594 Y HN 0.199 nan 8.280 nan 0.000 0.580 595 E N 1.642 121.953 120.200 0.185 0.000 2.089 595 E HA 0.159 4.509 4.350 0.001 0.000 0.284 595 E C -0.883 175.778 176.600 0.101 0.000 1.023 595 E CA -0.594 55.870 56.400 0.107 0.000 0.819 595 E CB 0.447 30.193 29.700 0.077 0.000 1.076 595 E HN 0.662 nan 8.360 nan 0.000 0.396 596 T N 2.507 117.110 114.554 0.082 0.000 2.806 596 T HA 0.471 4.822 4.350 0.001 0.000 0.290 596 T C 0.162 174.898 174.700 0.061 0.000 0.966 596 T CA -0.657 61.478 62.100 0.059 0.000 1.060 596 T CB 0.451 69.349 68.868 0.050 0.000 0.927 596 T HN 0.331 nan 8.240 nan 0.000 0.485 597 I N 3.782 124.387 120.570 0.058 0.000 2.382 597 I HA 0.374 4.545 4.170 0.001 0.000 0.286 597 I C -0.236 175.931 176.117 0.084 0.000 1.002 597 I CA -0.948 60.411 61.300 0.098 0.000 1.135 597 I CB 1.781 39.853 38.000 0.120 0.000 1.288 597 I HN 0.582 nan 8.210 nan 0.000 0.448 598 M N 8.085 127.745 119.600 0.100 0.000 2.238 598 M HA 0.509 4.990 4.480 0.001 0.000 0.350 598 M C -1.297 175.061 176.300 0.096 0.000 1.138 598 M CA -0.287 55.053 55.300 0.067 0.000 1.040 598 M CB 1.388 34.011 32.600 0.039 0.000 1.639 598 M HN 0.286 nan 8.290 nan 0.000 0.451 599 V N 5.724 125.665 119.914 0.044 0.000 2.376 599 V HA 0.692 4.812 4.120 0.001 0.000 0.287 599 V C -0.591 175.482 176.094 -0.035 0.000 1.015 599 V CA -0.576 61.745 62.300 0.035 0.000 0.834 599 V CB 0.978 32.804 31.823 0.006 0.000 1.001 599 V HN 0.949 nan 8.190 nan 0.000 0.428 600 N N 2.613 121.248 118.700 -0.108 0.000 3.127 600 N HA 0.453 5.193 4.740 0.001 0.000 0.239 600 N C -0.330 174.879 175.510 -0.502 0.000 1.407 600 N CA -0.166 52.754 53.050 -0.217 0.000 0.891 600 N CB 1.900 40.281 38.487 -0.176 0.000 1.447 600 N HN 0.654 nan 8.380 nan 0.000 0.507 601 C N -0.301 118.699 119.300 -0.500 0.000 3.486 601 C HA 0.527 4.988 4.460 0.001 0.000 0.264 601 C C 0.085 174.838 174.990 -0.395 0.000 1.756 601 C CA -0.960 57.621 59.018 -0.729 0.000 1.764 601 C CB -1.562 26.059 27.740 -0.199 0.000 3.238 601 C HN 0.585 nan 8.230 nan 0.000 0.524 602 N N 3.182 121.695 118.700 -0.312 0.000 2.406 602 N HA 0.321 5.061 4.740 0.001 0.000 0.251 602 N C -1.182 174.301 175.510 -0.044 0.000 1.069 602 N CA -2.047 50.935 53.050 -0.114 0.000 0.947 602 N CB 1.629 40.058 38.487 -0.097 0.000 1.111 602 N HN 0.261 nan 8.380 nan 0.000 0.497 603 P HA -0.016 nan 4.420 nan 0.000 0.229 603 P C 0.335 177.576 177.300 -0.099 0.000 1.160 603 P CA 0.974 64.161 63.100 0.146 0.000 0.777 603 P CB 0.538 32.318 31.700 0.135 0.000 0.814 604 E N -0.154 119.980 120.200 -0.110 0.000 2.299 604 E HA -0.011 4.340 4.350 0.001 0.000 0.193 604 E C 0.854 177.350 176.600 -0.174 0.000 0.998 604 E CA 0.560 56.866 56.400 -0.157 0.000 0.851 604 E CB -0.075 29.560 29.700 -0.108 0.000 0.795 604 E HN 0.373 nan 8.360 nan 0.000 0.492 605 T N -2.581 111.881 114.554 -0.153 0.000 2.881 605 T HA 0.179 4.530 4.350 0.001 0.000 0.278 605 T C 1.325 175.979 174.700 -0.076 0.000 0.982 605 T CA -0.796 61.259 62.100 -0.076 0.000 0.989 605 T CB 1.730 70.571 68.868 -0.044 0.000 1.058 605 T HN -0.236 nan 8.240 nan 0.000 0.529 606 V N 1.645 121.598 119.914 0.065 0.000 2.548 606 V HA -0.145 3.976 4.120 0.001 0.000 0.249 606 V C 3.062 179.172 176.094 0.026 0.000 1.055 606 V CA 2.134 64.508 62.300 0.125 0.000 1.065 606 V CB -1.090 30.805 31.823 0.120 0.000 0.681 606 V HN 1.115 nan 8.190 nan 0.000 0.462 607 S N 0.960 116.656 115.700 -0.007 0.000 2.419 607 S HA -0.209 4.262 4.470 0.001 0.000 0.235 607 S C 1.739 176.301 174.600 -0.064 0.000 1.019 607 S CA 1.794 59.978 58.200 -0.026 0.000 0.982 607 S CB -0.817 62.369 63.200 -0.024 0.000 0.789 607 S HN 0.735 nan 8.310 nan 0.000 0.490 608 T N -1.315 113.178 114.554 -0.102 0.000 3.206 608 T HA 0.228 4.578 4.350 0.001 0.000 0.253 608 T C -0.063 174.554 174.700 -0.138 0.000 1.042 608 T CA -0.373 61.661 62.100 -0.110 0.000 0.931 608 T CB -0.219 68.597 68.868 -0.086 0.000 1.029 608 T HN 0.270 nan 8.240 nan 0.000 0.564 609 D N 1.470 121.795 120.400 -0.125 0.000 2.277 609 D HA 0.085 4.726 4.640 0.001 0.000 0.249 609 D C 1.140 177.286 176.300 -0.257 0.000 1.134 609 D CA -0.854 53.047 54.000 -0.165 0.000 0.863 609 D CB 0.857 41.658 40.800 0.002 0.000 1.143 609 D HN 0.414 nan 8.370 nan 0.000 0.458 610 Y N 2.100 122.321 120.300 -0.132 0.000 2.315 610 Y HA -0.115 4.435 4.550 0.001 0.000 0.288 610 Y C 1.310 177.192 175.900 -0.030 0.000 1.154 610 Y CA 0.948 58.972 58.100 -0.127 0.000 1.229 610 Y CB -0.498 37.887 38.460 -0.125 0.000 0.980 610 Y HN 0.250 nan 8.280 nan 0.000 0.540 611 D N 0.263 120.536 120.400 -0.212 0.000 2.264 611 D HA -0.100 4.541 4.640 0.001 0.000 0.208 611 D C 1.696 177.989 176.300 -0.011 0.000 0.966 611 D CA 1.604 55.583 54.000 -0.035 0.000 0.864 611 D CB -0.210 40.529 40.800 -0.103 0.000 0.933 611 D HN 0.515 nan 8.370 nan 0.000 0.499 612 T N -0.246 114.289 114.554 -0.031 0.000 2.995 612 T HA -0.018 4.332 4.350 0.001 0.000 0.269 612 T C 1.149 175.858 174.700 0.015 0.000 1.091 612 T CA 0.562 62.658 62.100 -0.007 0.000 1.128 612 T CB 0.167 69.029 68.868 -0.010 0.000 0.891 612 T HN 0.208 nan 8.240 nan 0.000 0.492 613 S N -0.401 115.317 115.700 0.029 0.000 2.685 613 S HA 0.429 4.899 4.470 0.001 0.000 0.282 613 S C -0.097 174.536 174.600 0.054 0.000 1.159 613 S CA -0.938 57.286 58.200 0.041 0.000 0.833 613 S CB 1.667 64.892 63.200 0.042 0.000 1.151 613 S HN -0.103 nan 8.310 nan 0.000 0.485 614 D N 0.658 121.090 120.400 0.053 0.000 2.137 614 D HA 0.082 4.723 4.640 0.001 0.000 0.202 614 D C 0.188 176.515 176.300 0.044 0.000 0.970 614 D CA 1.118 55.149 54.000 0.051 0.000 0.837 614 D CB 0.125 40.955 40.800 0.049 0.000 0.981 614 D HN 0.446 nan 8.370 nan 0.000 0.475 615 R N 0.150 120.675 120.500 0.042 0.000 2.575 615 R HA 0.518 4.858 4.340 0.001 0.000 0.293 615 R C -1.180 175.131 176.300 0.019 0.000 0.983 615 R CA -0.774 55.326 56.100 -0.001 0.000 0.887 615 R CB 2.413 32.709 30.300 -0.007 0.000 1.184 615 R HN -0.085 nan 8.270 nan 0.000 0.445 616 L N 2.784 123.994 121.223 -0.022 0.000 2.349 616 L HA 0.446 4.787 4.340 0.001 0.000 0.278 616 L C -1.706 175.201 176.870 0.063 0.000 0.996 616 L CA -0.481 54.399 54.840 0.067 0.000 0.825 616 L CB 1.052 43.155 42.059 0.075 0.000 1.243 616 L HN 0.528 nan 8.230 nan 0.000 0.412 617 Y N 5.313 125.708 120.300 0.159 0.000 2.491 617 Y HA 0.326 4.876 4.550 0.001 0.000 0.334 617 Y C -0.383 175.660 175.900 0.239 0.000 0.969 617 Y CA -0.198 58.017 58.100 0.192 0.000 1.241 617 Y CB 0.970 39.466 38.460 0.060 0.000 1.105 617 Y HN 0.561 nan 8.280 nan 0.000 0.503 618 F N 4.887 125.053 119.950 0.360 0.000 2.651 618 F HA 0.213 4.741 4.527 0.001 0.000 0.347 618 F C 0.061 176.007 175.800 0.242 0.000 1.284 618 F CA 0.015 58.192 58.000 0.295 0.000 1.175 618 F CB -0.317 38.917 39.000 0.390 0.000 1.542 618 F HN 0.435 nan 8.300 nan 0.000 0.661 619 E N 4.361 124.689 120.200 0.213 0.000 2.433 619 E HA 0.380 4.731 4.350 0.001 0.000 0.273 619 E C -2.716 173.937 176.600 0.089 0.000 0.950 619 E CA -2.287 54.243 56.400 0.217 0.000 0.796 619 E CB 1.512 31.355 29.700 0.238 0.000 1.330 619 E HN 0.073 nan 8.360 nan 0.000 0.455 620 P HA 0.056 nan 4.420 nan 0.000 0.271 620 P C -0.113 177.207 177.300 0.032 0.000 1.216 620 P CA -0.097 63.036 63.100 0.054 0.000 0.771 620 P CB 0.382 32.122 31.700 0.067 0.000 0.864 621 V N 3.608 123.523 119.914 0.002 0.000 2.096 621 V HA 0.166 4.287 4.120 0.001 0.000 0.259 621 V C 0.912 177.003 176.094 -0.005 0.000 1.420 621 V CA 0.067 62.361 62.300 -0.009 0.000 1.336 621 V CB -1.031 30.774 31.823 -0.030 0.000 1.394 621 V HN 0.662 nan 8.190 nan 0.000 0.494 622 T N -0.622 113.938 114.554 0.010 0.000 2.930 622 T HA 0.546 4.897 4.350 0.001 0.000 0.290 622 T C 0.690 175.398 174.700 0.013 0.000 1.052 622 T CA -0.677 61.430 62.100 0.013 0.000 1.017 622 T CB 2.213 71.098 68.868 0.029 0.000 1.137 622 T HN 0.087 nan 8.240 nan 0.000 0.511 623 L N 1.009 122.238 121.223 0.011 0.000 2.012 623 L HA 0.011 4.352 4.340 0.001 0.000 0.210 623 L C 2.642 179.527 176.870 0.025 0.000 1.073 623 L CA 2.400 57.246 54.840 0.010 0.000 0.748 623 L CB -0.900 41.164 42.059 0.008 0.000 0.891 623 L HN 1.008 nan 8.230 nan 0.000 0.431 624 E N -0.739 119.484 120.200 0.039 0.000 2.049 624 E HA -0.271 4.080 4.350 0.001 0.000 0.198 624 E C 1.678 178.324 176.600 0.077 0.000 1.007 624 E CA 1.921 58.358 56.400 0.062 0.000 0.809 624 E CB -0.181 29.564 29.700 0.074 0.000 0.749 624 E HN 0.632 nan 8.360 nan 0.000 0.450 625 D N -0.165 120.278 120.400 0.072 0.000 2.183 625 D HA -0.096 4.545 4.640 0.001 0.000 0.203 625 D C 2.110 178.438 176.300 0.047 0.000 0.969 625 D CA 0.771 54.823 54.000 0.087 0.000 0.842 625 D CB 0.207 41.066 40.800 0.099 0.000 0.957 625 D HN 0.161 nan 8.370 nan 0.000 0.484 626 V N 1.616 121.538 119.914 0.013 0.000 2.323 626 V HA -0.166 3.955 4.120 0.001 0.000 0.244 626 V C 2.688 178.757 176.094 -0.041 0.000 1.041 626 V CA 0.858 63.138 62.300 -0.033 0.000 1.025 626 V CB -0.384 31.418 31.823 -0.034 0.000 0.656 626 V HN 0.168 nan 8.190 nan 0.000 0.451 627 L N -0.218 121.001 121.223 -0.006 0.000 2.081 627 L HA -0.197 4.144 4.340 0.001 0.000 0.212 627 L C 2.742 179.618 176.870 0.011 0.000 1.080 627 L CA 1.474 56.314 54.840 0.001 0.000 0.754 627 L CB -0.651 41.423 42.059 0.026 0.000 0.893 627 L HN 0.370 nan 8.230 nan 0.000 0.433 628 E N 0.087 120.321 120.200 0.057 0.000 2.150 628 E HA -0.162 4.189 4.350 0.001 0.000 0.193 628 E C 2.233 178.848 176.600 0.024 0.000 0.985 628 E CA 1.138 57.601 56.400 0.105 0.000 0.814 628 E CB -0.097 29.728 29.700 0.209 0.000 0.752 628 E HN 0.564 nan 8.360 nan 0.000 0.466 629 I N 0.270 120.768 120.570 -0.120 0.000 2.353 629 I HA -0.194 3.977 4.170 0.001 0.000 0.248 629 I C 2.348 178.283 176.117 -0.303 0.000 1.119 629 I CA 0.451 61.493 61.300 -0.431 0.000 1.417 629 I CB -0.078 37.511 38.000 -0.686 0.000 1.078 629 I HN -0.090 nan 8.210 nan 0.000 0.421 630 V N 0.975 120.780 119.914 -0.181 0.000 2.343 630 V HA -0.295 3.825 4.120 0.001 0.000 0.247 630 V C 2.635 178.672 176.094 -0.095 0.000 1.051 630 V CA 1.944 64.170 62.300 -0.125 0.000 1.036 630 V CB -0.791 30.981 31.823 -0.084 0.000 0.654 630 V HN 0.438 nan 8.190 nan 0.000 0.451 631 R N 0.555 121.008 120.500 -0.079 0.000 2.119 631 R HA -0.221 4.120 4.340 0.001 0.000 0.246 631 R C 2.235 178.490 176.300 -0.075 0.000 1.146 631 R CA 2.596 58.653 56.100 -0.071 0.000 0.962 631 R CB -0.344 29.912 30.300 -0.074 0.000 0.863 631 R HN 0.719 nan 8.270 nan 0.000 0.442 632 I N -2.382 118.140 120.570 -0.080 0.000 3.462 632 I HA 0.094 4.265 4.170 0.001 0.000 0.290 632 I C 1.201 177.281 176.117 -0.062 0.000 1.236 632 I CA 0.399 61.663 61.300 -0.061 0.000 1.418 632 I CB 0.166 38.146 38.000 -0.033 0.000 1.102 632 I HN -0.003 nan 8.210 nan 0.000 0.441 633 E N 1.742 121.886 120.200 -0.094 0.000 2.102 633 E HA -0.011 4.340 4.350 0.001 0.000 0.190 633 E C 0.138 176.715 176.600 -0.038 0.000 0.971 633 E CA 0.309 56.674 56.400 -0.058 0.000 0.821 633 E CB 0.032 29.685 29.700 -0.077 0.000 0.777 633 E HN 0.369 nan 8.360 nan 0.000 0.460 634 K N 1.008 121.378 120.400 -0.050 0.000 3.939 634 K HA -0.120 4.200 4.320 0.001 0.000 0.281 634 K C -2.581 174.005 176.600 -0.024 0.000 0.981 634 K CA 0.228 56.494 56.287 -0.035 0.000 0.833 634 K CB -0.904 31.582 32.500 -0.023 0.000 1.501 634 K HN 0.190 nan 8.250 nan 0.000 0.445 635 P HA 0.002 nan 4.420 nan 0.000 0.274 635 P C 0.284 177.574 177.300 -0.018 0.000 1.256 635 P CA -0.342 62.745 63.100 -0.022 0.000 0.795 635 P CB 0.931 32.606 31.700 -0.042 0.000 1.038 636 K N -0.342 120.053 120.400 -0.008 0.000 2.167 636 K HA 0.119 4.440 4.320 0.001 0.000 0.203 636 K C 0.690 177.268 176.600 -0.035 0.000 1.052 636 K CA 0.930 57.215 56.287 -0.004 0.000 0.956 636 K CB -0.172 32.348 32.500 0.034 0.000 0.735 636 K HN 0.712 nan 8.250 nan 0.000 0.451 637 G N -0.419 108.342 108.800 -0.066 0.000 2.673 637 G HA2 0.446 4.407 3.960 0.001 0.000 0.292 637 G HA3 0.446 4.407 3.960 0.001 0.000 0.292 637 G C -1.931 172.908 174.900 -0.102 0.000 1.450 637 G CA -0.693 44.355 45.100 -0.088 0.000 0.837 637 G HN -0.057 nan 8.290 nan 0.000 0.505 638 V N 1.343 121.199 119.914 -0.097 0.000 2.588 638 V HA 0.493 4.614 4.120 0.001 0.000 0.304 638 V C -0.143 175.883 176.094 -0.113 0.000 1.042 638 V CA -0.643 61.598 62.300 -0.097 0.000 0.877 638 V CB 1.709 33.487 31.823 -0.075 0.000 0.996 638 V HN 0.668 nan 8.190 nan 0.000 0.425 639 I N 4.912 125.400 120.570 -0.136 0.000 2.315 639 I HA 0.250 4.421 4.170 0.001 0.000 0.291 639 I C 0.881 176.932 176.117 -0.111 0.000 1.006 639 I CA -0.210 60.986 61.300 -0.173 0.000 1.265 639 I CB 1.743 39.573 38.000 -0.283 0.000 1.387 639 I HN 0.627 nan 8.210 nan 0.000 0.475 640 V N 2.020 121.887 119.914 -0.078 0.000 3.605 640 V HA 0.116 4.236 4.120 0.001 0.000 0.284 640 V C 1.236 177.340 176.094 0.017 0.000 1.386 640 V CA 0.229 62.511 62.300 -0.031 0.000 1.053 640 V CB 0.023 31.826 31.823 -0.032 0.000 0.857 640 V HN 0.741 nan 8.190 nan 0.000 0.436 641 Q N -0.519 119.302 119.800 0.035 0.000 2.451 641 Q HA 0.210 4.551 4.340 0.001 0.000 0.206 641 Q C 1.307 177.552 176.000 0.408 0.000 0.947 641 Q CA 0.995 56.892 55.803 0.158 0.000 0.937 641 Q CB -0.144 28.673 28.738 0.133 0.000 1.025 641 Q HN 0.764 nan 8.270 nan 0.000 0.511 642 Y N -1.693 118.643 120.300 0.059 0.000 2.442 642 Y HA 0.376 4.926 4.550 0.001 0.000 0.250 642 Y C 1.794 177.792 175.900 0.164 0.000 1.113 642 Y CA -0.200 57.971 58.100 0.118 0.000 1.273 642 Y CB 0.368 38.877 38.460 0.080 0.000 1.138 642 Y HN 0.062 nan 8.280 nan 0.000 0.522 643 G N -0.416 108.515 108.800 0.219 0.000 3.371 643 G HA2 0.430 4.391 3.960 0.001 0.000 0.248 643 G HA3 0.430 4.391 3.960 0.001 0.000 0.248 643 G C 0.896 175.738 174.900 -0.098 0.000 1.161 643 G CA 0.403 45.569 45.100 0.110 0.000 0.796 643 G HN 0.545 nan 8.290 nan 0.000 0.539 644 G N 0.041 108.688 108.800 -0.255 0.000 2.632 644 G HA2 -0.273 3.688 3.960 0.001 0.000 0.224 644 G HA3 -0.273 3.688 3.960 0.001 0.000 0.224 644 G C 0.768 175.453 174.900 -0.358 0.000 1.341 644 G CA 0.190 44.830 45.100 -0.765 0.000 0.880 644 G HN 0.141 nan 8.290 nan 0.000 0.566 645 Q N -0.571 119.011 119.800 -0.363 0.000 2.096 645 Q HA -0.072 4.269 4.340 0.001 0.000 0.204 645 Q C 3.016 178.933 176.000 -0.139 0.000 0.982 645 Q CA 2.504 58.184 55.803 -0.205 0.000 0.850 645 Q CB -1.154 27.474 28.738 -0.182 0.000 0.901 645 Q HN 0.743 nan 8.270 nan 0.000 0.422 646 T N 1.728 116.198 114.554 -0.140 0.000 2.607 646 T HA -0.144 4.207 4.350 0.001 0.000 0.267 646 T C -1.076 173.584 174.700 -0.067 0.000 1.049 646 T CA 2.112 64.158 62.100 -0.091 0.000 1.162 646 T CB -1.112 67.706 68.868 -0.083 0.000 0.863 646 T HN 0.310 nan 8.240 nan 0.000 0.424 647 P HA 0.093 nan 4.420 nan 0.000 0.220 647 P C 1.673 178.950 177.300 -0.038 0.000 1.152 647 P CA 0.568 63.644 63.100 -0.040 0.000 0.812 647 P CB -0.160 31.525 31.700 -0.024 0.000 0.792 648 L N 0.255 121.449 121.223 -0.047 0.000 2.017 648 L HA -0.123 4.218 4.340 0.001 0.000 0.208 648 L C 2.465 179.311 176.870 -0.040 0.000 1.073 648 L CA 2.019 56.835 54.840 -0.040 0.000 0.745 648 L CB -0.883 41.145 42.059 -0.053 0.000 0.894 648 L HN -0.200 nan 8.230 nan 0.000 0.432 649 K N -0.888 119.483 120.400 -0.048 0.000 2.211 649 K HA -0.136 4.185 4.320 0.001 0.000 0.204 649 K C 1.787 178.367 176.600 -0.032 0.000 1.047 649 K CA 1.137 57.399 56.287 -0.041 0.000 0.935 649 K CB -0.122 32.350 32.500 -0.046 0.000 0.728 649 K HN 0.338 nan 8.250 nan 0.000 0.452 650 L N -0.617 120.587 121.223 -0.031 0.000 2.529 650 L HA 0.097 4.438 4.340 0.001 0.000 0.223 650 L C 2.210 179.065 176.870 -0.024 0.000 1.113 650 L CA -0.021 54.804 54.840 -0.025 0.000 0.861 650 L CB -0.229 41.815 42.059 -0.025 0.000 1.012 650 L HN 0.125 nan 8.230 nan 0.000 0.461 651 A N 0.908 123.713 122.820 -0.025 0.000 1.892 651 A HA -0.281 4.039 4.320 0.001 0.000 0.218 651 A C 2.382 179.953 177.584 -0.021 0.000 1.188 651 A CA 1.950 53.973 52.037 -0.024 0.000 0.631 651 A CB -0.434 18.552 19.000 -0.024 0.000 0.822 651 A HN 0.293 nan 8.150 nan 0.000 0.447 652 R N -0.784 119.705 120.500 -0.019 0.000 2.070 652 R HA -0.075 4.266 4.340 0.001 0.000 0.233 652 R C 2.477 178.768 176.300 -0.014 0.000 1.137 652 R CA 1.543 57.634 56.100 -0.016 0.000 0.945 652 R CB -0.513 29.778 30.300 -0.015 0.000 0.845 652 R HN 0.513 nan 8.270 nan 0.000 0.430 653 A N 0.466 123.278 122.820 -0.014 0.000 1.972 653 A HA -0.137 4.184 4.320 0.001 0.000 0.219 653 A C 2.098 179.675 177.584 -0.012 0.000 1.169 653 A CA 1.215 53.245 52.037 -0.011 0.000 0.635 653 A CB -0.514 18.480 19.000 -0.010 0.000 0.810 653 A HN 0.235 nan 8.150 nan 0.000 0.446 654 L N -1.122 120.091 121.223 -0.016 0.000 2.005 654 L HA -0.177 4.163 4.340 0.001 0.000 0.207 654 L C 2.652 179.511 176.870 -0.018 0.000 1.072 654 L CA 1.792 56.621 54.840 -0.019 0.000 0.744 654 L CB -0.563 41.481 42.059 -0.025 0.000 0.895 654 L HN 0.556 nan 8.230 nan 0.000 0.433 655 E N 0.417 120.605 120.200 -0.019 0.000 2.097 655 E HA -0.279 4.071 4.350 0.001 0.000 0.196 655 E C 2.161 178.753 176.600 -0.013 0.000 1.000 655 E CA 1.395 57.784 56.400 -0.017 0.000 0.804 655 E CB -0.019 29.671 29.700 -0.016 0.000 0.740 655 E HN 0.464 nan 8.360 nan 0.000 0.454 656 A N 0.750 123.563 122.820 -0.011 0.000 1.969 656 A HA 0.010 4.331 4.320 0.001 0.000 0.218 656 A C 2.197 179.776 177.584 -0.007 0.000 1.169 656 A CA 1.415 53.447 52.037 -0.009 0.000 0.635 656 A CB -0.400 18.595 19.000 -0.008 0.000 0.810 656 A HN 0.364 nan 8.150 nan 0.000 0.445 657 A N -1.571 121.244 122.820 -0.008 0.000 2.259 657 A HA 0.425 4.746 4.320 0.001 0.000 0.208 657 A C 1.560 179.140 177.584 -0.008 0.000 1.201 657 A CA 1.050 53.083 52.037 -0.005 0.000 0.824 657 A CB -1.012 17.986 19.000 -0.003 0.000 0.838 657 A HN 1.870 nan 8.150 nan 0.000 0.485 658 G N -1.353 107.440 108.800 -0.011 0.000 2.142 658 G HA2 -0.152 3.809 3.960 0.001 0.000 0.225 658 G HA3 -0.152 3.809 3.960 0.001 0.000 0.225 658 G C -0.015 174.874 174.900 -0.018 0.000 1.015 658 G CA 0.025 45.117 45.100 -0.013 0.000 0.716 658 G HN 0.721 nan 8.290 nan 0.000 0.508 659 V N 1.461 121.362 119.914 -0.021 0.000 2.509 659 V HA 0.465 4.585 4.120 0.001 0.000 0.284 659 V C -1.366 174.710 176.094 -0.030 0.000 1.047 659 V CA -1.361 60.921 62.300 -0.029 0.000 0.952 659 V CB 1.637 33.440 31.823 -0.034 0.000 0.988 659 V HN 0.172 nan 8.190 nan 0.000 0.469 660 P HA 0.136 nan 4.420 nan 0.000 0.241 660 P C -0.314 176.959 177.300 -0.046 0.000 1.760 660 P CA -0.017 63.062 63.100 -0.035 0.000 1.081 660 P CB -0.062 31.617 31.700 -0.036 0.000 1.975 661 V N 4.687 124.576 119.914 -0.043 0.000 2.572 661 V HA 0.088 4.209 4.120 0.001 0.000 0.291 661 V C 1.195 177.256 176.094 -0.055 0.000 1.039 661 V CA -0.155 62.114 62.300 -0.051 0.000 1.055 661 V CB 0.255 32.053 31.823 -0.042 0.000 0.969 661 V HN 0.335 nan 8.190 nan 0.000 0.482 662 I N 2.168 122.693 120.570 -0.075 0.000 2.947 662 I HA 1.023 5.193 4.170 0.001 0.000 0.314 662 I C 0.604 176.673 176.117 -0.080 0.000 1.028 662 I CA -0.143 61.110 61.300 -0.078 0.000 1.077 662 I CB 1.646 39.583 38.000 -0.104 0.000 1.274 662 I HN 0.881 nan 8.210 nan 0.000 0.485 663 G N 2.430 111.191 108.800 -0.065 0.000 2.681 663 G HA2 -0.184 3.777 3.960 0.001 0.000 0.220 663 G HA3 -0.184 3.777 3.960 0.001 0.000 0.220 663 G C -0.165 174.718 174.900 -0.028 0.000 1.353 663 G CA -0.341 44.728 45.100 -0.051 0.000 0.872 663 G HN 0.988 nan 8.290 nan 0.000 0.557 664 T N 1.052 115.597 114.554 -0.014 0.000 2.765 664 T HA 0.349 4.699 4.350 0.001 0.000 0.275 664 T C 1.343 176.038 174.700 -0.009 0.000 1.007 664 T CA 1.139 63.237 62.100 -0.005 0.000 1.175 664 T CB 0.355 69.225 68.868 0.005 0.000 0.993 664 T HN 1.797 nan 8.240 nan 0.000 0.510 665 S N 4.777 120.474 115.700 -0.005 0.000 2.572 665 S HA 0.077 4.547 4.470 0.001 0.000 0.267 665 S C -1.275 173.320 174.600 -0.008 0.000 1.361 665 S CA -1.127 57.069 58.200 -0.007 0.000 1.009 665 S CB 0.466 63.666 63.200 -0.001 0.000 0.888 665 S HN 0.352 nan 8.310 nan 0.000 0.553 666 P HA -0.019 nan 4.420 nan 0.000 0.215 666 P C 1.051 178.346 177.300 -0.008 0.000 1.157 666 P CA 1.268 64.361 63.100 -0.012 0.000 0.859 666 P CB -0.161 31.531 31.700 -0.014 0.000 0.786 667 D N -0.542 119.855 120.400 -0.005 0.000 2.116 667 D HA -0.203 4.437 4.640 0.001 0.000 0.193 667 D C 1.896 178.198 176.300 0.004 0.000 0.998 667 D CA 1.739 55.738 54.000 -0.001 0.000 0.836 667 D CB -0.660 40.140 40.800 0.001 0.000 0.951 667 D HN -0.047 nan 8.370 nan 0.000 0.449 668 A N 0.129 122.953 122.820 0.007 0.000 1.873 668 A HA -0.202 4.118 4.320 0.001 0.000 0.218 668 A C 2.452 180.040 177.584 0.008 0.000 1.193 668 A CA 1.735 53.780 52.037 0.014 0.000 0.629 668 A CB -1.027 17.981 19.000 0.013 0.000 0.826 668 A HN 0.395 nan 8.150 nan 0.000 0.447 669 I N -0.464 120.104 120.570 -0.003 0.000 2.194 669 I HA -0.302 3.868 4.170 0.001 0.000 0.246 669 I C 2.275 178.379 176.117 -0.021 0.000 1.093 669 I CA 2.044 63.336 61.300 -0.014 0.000 1.355 669 I CB -0.435 37.556 38.000 -0.014 0.000 1.046 669 I HN 0.421 nan 8.210 nan 0.000 0.413 670 D N 0.421 120.813 120.400 -0.014 0.000 2.117 670 D HA -0.179 4.462 4.640 0.001 0.000 0.197 670 D C 2.398 178.696 176.300 -0.005 0.000 0.987 670 D CA 1.106 55.097 54.000 -0.014 0.000 0.829 670 D CB 0.056 40.849 40.800 -0.011 0.000 0.961 670 D HN 0.047 nan 8.370 nan 0.000 0.460 671 R N -0.141 120.366 120.500 0.011 0.000 2.096 671 R HA -0.170 4.170 4.340 0.001 0.000 0.240 671 R C 2.174 178.516 176.300 0.070 0.000 1.139 671 R CA 1.413 57.538 56.100 0.042 0.000 0.952 671 R CB -0.449 29.883 30.300 0.054 0.000 0.854 671 R HN 0.240 nan 8.270 nan 0.000 0.436 672 A N 1.012 123.844 122.820 0.020 0.000 1.897 672 A HA -0.117 4.203 4.320 0.001 0.000 0.215 672 A C 1.913 179.378 177.584 -0.199 0.000 1.181 672 A CA 1.055 53.043 52.037 -0.081 0.000 0.620 672 A CB -0.181 18.755 19.000 -0.107 0.000 0.821 672 A HN 0.264 nan 8.150 nan 0.000 0.443 673 E N 0.421 120.552 120.200 -0.115 0.000 2.106 673 E HA -0.136 4.214 4.350 0.001 0.000 0.192 673 E C 0.001 176.558 176.600 -0.072 0.000 0.984 673 E CA 0.662 56.993 56.400 -0.114 0.000 0.806 673 E CB -0.438 29.216 29.700 -0.077 0.000 0.750 673 E HN 0.658 nan 8.360 nan 0.000 0.458 674 D N 1.158 121.545 120.400 -0.022 0.000 2.358 674 D HA -0.032 4.609 4.640 0.001 0.000 0.258 674 D C 1.404 177.751 176.300 0.079 0.000 1.223 674 D CA -0.145 53.864 54.000 0.015 0.000 0.886 674 D CB 0.646 41.451 40.800 0.007 0.000 1.120 674 D HN -0.099 nan 8.370 nan 0.000 0.482 675 R N 3.792 124.339 120.500 0.078 0.000 2.134 675 R HA -0.249 4.091 4.340 0.001 0.000 0.248 675 R C 1.513 177.928 176.300 0.191 0.000 1.143 675 R CA 1.441 57.629 56.100 0.146 0.000 0.957 675 R CB -0.815 29.541 30.300 0.092 0.000 0.867 675 R HN 0.596 nan 8.270 nan 0.000 0.441 676 E N 0.546 120.814 120.200 0.113 0.000 2.007 676 E HA -0.097 4.253 4.350 0.001 0.000 0.194 676 E C 2.372 178.995 176.600 0.039 0.000 0.999 676 E CA 0.928 57.380 56.400 0.088 0.000 0.811 676 E CB 0.018 29.718 29.700 -0.001 0.000 0.762 676 E HN 0.278 nan 8.360 nan 0.000 0.450 677 R N -0.093 120.383 120.500 -0.040 0.000 2.096 677 R HA -0.193 4.148 4.340 0.001 0.000 0.240 677 R C 2.368 178.750 176.300 0.137 0.000 1.139 677 R CA 1.345 57.409 56.100 -0.060 0.000 0.952 677 R CB -0.695 29.597 30.300 -0.013 0.000 0.854 677 R HN 0.229 nan 8.270 nan 0.000 0.436 678 F N 2.228 122.197 119.950 0.031 0.000 2.046 678 F HA -0.270 4.257 4.527 0.001 0.000 0.297 678 F C 2.712 178.570 175.800 0.097 0.000 1.123 678 F CA 1.947 59.978 58.000 0.051 0.000 1.199 678 F CB -0.710 38.305 39.000 0.024 0.000 0.972 678 F HN 0.016 nan 8.300 nan 0.000 0.474 679 Q N -1.019 118.803 119.800 0.037 0.000 2.217 679 Q HA -0.305 4.036 4.340 0.001 0.000 0.209 679 Q C 2.044 178.003 176.000 -0.068 0.000 0.988 679 Q CA 2.202 57.960 55.803 -0.075 0.000 0.878 679 Q CB -0.311 28.472 28.738 0.075 0.000 0.909 679 Q HN 0.594 nan 8.270 nan 0.000 0.424 680 H N -0.816 118.201 119.070 -0.088 0.000 2.357 680 H HA 0.005 4.561 4.556 0.001 0.000 0.301 680 H C 1.804 177.085 175.328 -0.078 0.000 1.082 680 H CA 1.554 57.567 56.048 -0.058 0.000 1.342 680 H CB -0.183 29.572 29.762 -0.013 0.000 1.389 680 H HN 0.421 nan 8.280 nan 0.000 0.511 681 A N 0.164 123.006 122.820 0.038 0.000 1.872 681 A HA -0.079 4.241 4.320 0.001 0.000 0.214 681 A C 2.532 180.051 177.584 -0.108 0.000 1.187 681 A CA 1.375 53.405 52.037 -0.011 0.000 0.614 681 A CB -0.746 18.278 19.000 0.040 0.000 0.826 681 A HN 0.227 nan 8.150 nan 0.000 0.442 682 V N 0.268 120.012 119.914 -0.283 0.000 2.469 682 V HA -0.307 3.814 4.120 0.001 0.000 0.251 682 V C 2.349 178.341 176.094 -0.169 0.000 1.064 682 V CA 2.345 64.465 62.300 -0.300 0.000 1.066 682 V CB -0.941 30.557 31.823 -0.542 0.000 0.667 682 V HN 0.624 nan 8.190 nan 0.000 0.461 683 E N 0.144 120.250 120.200 -0.157 0.000 2.007 683 E HA -0.269 4.082 4.350 0.001 0.000 0.194 683 E C 2.473 179.025 176.600 -0.080 0.000 0.999 683 E CA 1.600 57.928 56.400 -0.120 0.000 0.811 683 E CB -0.282 29.328 29.700 -0.150 0.000 0.762 683 E HN 0.470 nan 8.360 nan 0.000 0.450 684 R N 0.733 121.197 120.500 -0.060 0.000 2.133 684 R HA -0.184 4.157 4.340 0.001 0.000 0.247 684 R C 1.887 178.174 176.300 -0.021 0.000 1.151 684 R CA 1.372 57.455 56.100 -0.029 0.000 0.971 684 R CB -0.241 30.057 30.300 -0.002 0.000 0.866 684 R HN 0.206 nan 8.270 nan 0.000 0.447 685 L N 0.595 121.803 121.223 -0.025 0.000 2.591 685 L HA 0.138 4.479 4.340 0.001 0.000 0.228 685 L C 0.043 176.902 176.870 -0.019 0.000 1.133 685 L CA 0.076 54.911 54.840 -0.009 0.000 0.880 685 L CB -0.005 42.057 42.059 0.006 0.000 1.033 685 L HN 0.109 nan 8.230 nan 0.000 0.450 686 K N 1.234 121.611 120.400 -0.037 0.000 3.653 686 K HA -0.150 4.170 4.320 0.001 0.000 0.275 686 K C -0.745 175.829 176.600 -0.042 0.000 0.962 686 K CA 0.488 56.750 56.287 -0.042 0.000 0.773 686 K CB -1.302 31.177 32.500 -0.035 0.000 1.463 686 K HN 0.249 nan 8.250 nan 0.000 0.450 687 L N 0.062 121.253 121.223 -0.053 0.000 2.303 687 L HA 0.458 4.799 4.340 0.001 0.000 0.266 687 L C 0.500 177.331 176.870 -0.066 0.000 1.011 687 L CA -1.228 53.585 54.840 -0.045 0.000 0.818 687 L CB 1.518 43.565 42.059 -0.019 0.000 1.326 687 L HN 0.045 nan 8.230 nan 0.000 0.435 688 K N 2.212 122.568 120.400 -0.072 0.000 2.276 688 K HA 0.315 4.635 4.320 0.001 0.000 0.285 688 K C -0.960 175.639 176.600 -0.001 0.000 1.062 688 K CA -0.084 56.140 56.287 -0.104 0.000 0.918 688 K CB 1.424 33.738 32.500 -0.310 0.000 1.055 688 K HN 0.513 nan 8.250 nan 0.000 0.477 689 Q N 3.960 123.789 119.800 0.048 0.000 2.305 689 Q HA 0.351 4.691 4.340 0.001 0.000 0.271 689 Q C -2.442 173.655 176.000 0.162 0.000 1.046 689 Q CA -2.006 53.859 55.803 0.103 0.000 0.798 689 Q CB 2.122 30.858 28.738 -0.004 0.000 1.286 689 Q HN 0.337 nan 8.270 nan 0.000 0.435 690 P HA 0.017 nan 4.420 nan 0.000 0.265 690 P C -0.986 176.375 177.300 0.103 0.000 1.187 690 P CA -0.021 63.168 63.100 0.149 0.000 0.766 690 P CB 0.376 32.117 31.700 0.067 0.000 0.820 691 A N 3.330 126.209 122.820 0.099 0.000 2.566 691 A HA 0.203 4.523 4.320 0.001 0.000 0.245 691 A C 0.559 178.171 177.584 0.047 0.000 1.056 691 A CA 0.323 52.391 52.037 0.053 0.000 0.757 691 A CB -1.205 17.805 19.000 0.015 0.000 0.979 691 A HN 0.806 nan 8.150 nan 0.000 0.508 692 N N 0.349 119.066 118.700 0.029 0.000 2.416 692 N HA 0.804 5.545 4.740 0.001 0.000 0.276 692 N C -0.865 174.657 175.510 0.020 0.000 1.261 692 N CA -0.197 52.870 53.050 0.028 0.000 0.790 692 N CB 1.928 40.441 38.487 0.043 0.000 1.554 692 N HN 0.874 nan 8.380 nan 0.000 0.481 693 A N -0.148 122.685 122.820 0.022 0.000 2.594 693 A HA 0.814 5.135 4.320 0.001 0.000 0.291 693 A C -1.369 176.237 177.584 0.037 0.000 1.105 693 A CA -0.735 51.317 52.037 0.025 0.000 0.694 693 A CB 1.588 20.599 19.000 0.017 0.000 1.291 693 A HN 0.622 nan 8.150 nan 0.000 0.410 694 T N 1.295 115.874 114.554 0.042 0.000 2.991 694 T HA 0.490 4.841 4.350 0.001 0.000 0.347 694 T C -0.617 174.114 174.700 0.052 0.000 1.122 694 T CA -0.220 61.909 62.100 0.050 0.000 1.062 694 T CB 0.529 69.427 68.868 0.049 0.000 1.043 694 T HN 0.544 nan 8.240 nan 0.000 0.491 695 V N 3.007 122.963 119.914 0.070 0.000 2.644 695 V HA 0.359 4.480 4.120 0.001 0.000 0.295 695 V C 1.232 177.374 176.094 0.080 0.000 1.053 695 V CA -0.285 62.059 62.300 0.074 0.000 0.987 695 V CB 1.680 33.566 31.823 0.104 0.000 1.006 695 V HN 0.934 nan 8.190 nan 0.000 0.472 696 T N 1.075 115.660 114.554 0.051 0.000 3.056 696 T HA 0.389 4.740 4.350 0.001 0.000 0.241 696 T C 0.535 175.252 174.700 0.029 0.000 1.006 696 T CA 0.657 62.784 62.100 0.045 0.000 1.115 696 T CB 0.391 69.275 68.868 0.026 0.000 0.939 696 T HN 0.773 nan 8.240 nan 0.000 0.462 697 A N 0.332 123.140 122.820 -0.020 0.000 2.313 697 A HA 0.722 5.043 4.320 0.001 0.000 0.323 697 A C 0.829 178.265 177.584 -0.247 0.000 1.133 697 A CA -0.644 51.337 52.037 -0.093 0.000 0.847 697 A CB 0.466 19.420 19.000 -0.077 0.000 1.308 697 A HN 0.078 nan 8.150 nan 0.000 0.475 698 I N 0.557 120.888 120.570 -0.398 0.000 2.045 698 I HA -0.195 3.976 4.170 0.001 0.000 0.233 698 I C 2.242 178.103 176.117 -0.427 0.000 1.048 698 I CA 1.725 62.580 61.300 -0.742 0.000 1.313 698 I CB -0.663 37.022 38.000 -0.526 0.000 1.043 698 I HN 0.701 nan 8.210 nan 0.000 0.393 699 E N 0.030 120.094 120.200 -0.227 0.000 2.233 699 E HA -0.295 4.056 4.350 0.001 0.000 0.199 699 E C 2.168 178.724 176.600 -0.073 0.000 1.004 699 E CA 1.372 57.704 56.400 -0.113 0.000 0.819 699 E CB -0.579 29.076 29.700 -0.075 0.000 0.738 699 E HN 0.548 nan 8.360 nan 0.000 0.478 700 M N -0.062 119.488 119.600 -0.084 0.000 2.175 700 M HA -0.111 4.370 4.480 0.001 0.000 0.264 700 M C 2.098 178.390 176.300 -0.013 0.000 1.063 700 M CA 1.539 56.816 55.300 -0.039 0.000 1.119 700 M CB 0.007 32.584 32.600 -0.038 0.000 1.377 700 M HN 0.098 nan 8.290 nan 0.000 0.415 701 A N -0.707 122.095 122.820 -0.030 0.000 1.970 701 A HA -0.042 4.279 4.320 0.001 0.000 0.216 701 A C 1.928 179.567 177.584 0.091 0.000 1.170 701 A CA 1.203 53.277 52.037 0.063 0.000 0.645 701 A CB -0.753 18.346 19.000 0.165 0.000 0.816 701 A HN 0.389 nan 8.150 nan 0.000 0.447 702 V N 0.264 120.213 119.914 0.058 0.000 2.295 702 V HA -0.238 3.883 4.120 0.001 0.000 0.246 702 V C 2.553 178.708 176.094 0.102 0.000 1.049 702 V CA 2.353 64.720 62.300 0.112 0.000 1.024 702 V CB -0.842 31.021 31.823 0.066 0.000 0.648 702 V HN 0.689 nan 8.190 nan 0.000 0.447 703 E N 0.952 121.184 120.200 0.053 0.000 2.047 703 E HA -0.224 4.127 4.350 0.001 0.000 0.191 703 E C 2.080 178.704 176.600 0.040 0.000 0.987 703 E CA 1.546 57.972 56.400 0.043 0.000 0.799 703 E CB -0.286 29.426 29.700 0.021 0.000 0.752 703 E HN 0.384 nan 8.360 nan 0.000 0.449 704 K N 0.063 120.481 120.400 0.030 0.000 2.097 704 K HA 0.084 4.405 4.320 0.001 0.000 0.205 704 K C 1.884 178.479 176.600 -0.009 0.000 1.050 704 K CA 1.251 57.546 56.287 0.014 0.000 0.938 704 K CB -0.664 31.846 32.500 0.018 0.000 0.718 704 K HN 0.225 nan 8.250 nan 0.000 0.442 705 A N 0.608 123.424 122.820 -0.006 0.000 1.908 705 A HA -0.238 4.082 4.320 0.001 0.000 0.218 705 A C 2.000 179.531 177.584 -0.088 0.000 1.181 705 A CA 2.021 53.981 52.037 -0.128 0.000 0.627 705 A CB -0.463 18.512 19.000 -0.041 0.000 0.818 705 A HN 0.238 nan 8.150 nan 0.000 0.445 706 K N -0.257 120.193 120.400 0.083 0.000 2.044 706 K HA -0.184 4.137 4.320 0.001 0.000 0.210 706 K C 2.070 178.696 176.600 0.043 0.000 1.049 706 K CA 1.880 58.241 56.287 0.124 0.000 0.927 706 K CB -0.209 32.354 32.500 0.105 0.000 0.713 706 K HN 0.667 nan 8.250 nan 0.000 0.443 707 E N 0.183 120.389 120.200 0.010 0.000 2.013 707 E HA -0.232 4.119 4.350 0.001 0.000 0.202 707 E C 2.025 178.601 176.600 -0.040 0.000 1.018 707 E CA 1.746 58.140 56.400 -0.010 0.000 0.834 707 E CB -0.156 29.539 29.700 -0.009 0.000 0.770 707 E HN 0.220 nan 8.360 nan 0.000 0.459 708 I N -0.053 120.479 120.570 -0.064 0.000 2.118 708 I HA -0.188 3.983 4.170 0.001 0.000 0.241 708 I C 1.091 177.118 176.117 -0.150 0.000 1.070 708 I CA 1.160 62.407 61.300 -0.090 0.000 1.327 708 I CB -0.351 37.600 38.000 -0.082 0.000 1.034 708 I HN 0.356 nan 8.210 nan 0.000 0.405 709 G N -0.684 108.017 108.800 -0.165 0.000 3.067 709 G HA2 -0.175 3.786 3.960 0.001 0.000 0.686 709 G HA3 -0.175 3.786 3.960 0.001 0.000 0.686 709 G C -0.806 174.054 174.900 -0.066 0.000 1.119 709 G CA -0.968 44.061 45.100 -0.119 0.000 0.790 709 G HN 0.061 nan 8.290 nan 0.000 0.605 710 Y N 2.076 122.448 120.300 0.119 0.000 2.314 710 Y HA 0.517 5.067 4.550 0.001 0.000 0.334 710 Y C -1.021 175.044 175.900 0.274 0.000 1.266 710 Y CA -1.189 57.001 58.100 0.149 0.000 1.391 710 Y CB 0.637 39.157 38.460 0.101 0.000 1.306 710 Y HN 0.516 nan 8.280 nan 0.000 0.558 711 P HA 0.306 nan 4.420 nan 0.000 0.278 711 P C -1.289 175.949 177.300 -0.103 0.000 1.258 711 P CA -0.374 62.726 63.100 0.001 0.000 0.811 711 P CB 1.091 32.497 31.700 -0.490 0.000 1.063 712 L N 0.433 121.530 121.223 -0.210 0.000 2.323 712 L HA 0.466 4.807 4.340 0.001 0.000 0.265 712 L C -0.833 175.895 176.870 -0.237 0.000 1.012 712 L CA -0.780 53.937 54.840 -0.205 0.000 0.820 712 L CB 2.334 44.241 42.059 -0.254 0.000 1.334 712 L HN 0.026 nan 8.230 nan 0.000 0.427 713 V N 3.382 123.198 119.914 -0.163 0.000 2.304 713 V HA 0.311 4.431 4.120 0.001 0.000 0.278 713 V C -0.561 175.430 176.094 -0.171 0.000 1.018 713 V CA -0.757 61.446 62.300 -0.162 0.000 0.814 713 V CB 1.423 33.217 31.823 -0.049 0.000 1.021 713 V HN 0.416 nan 8.190 nan 0.000 0.440 714 V N 5.776 125.527 119.914 -0.271 0.000 2.356 714 V HA 0.368 4.489 4.120 0.001 0.000 0.258 714 V C 0.601 176.572 176.094 -0.206 0.000 1.065 714 V CA -0.480 61.639 62.300 -0.303 0.000 0.935 714 V CB -0.061 31.396 31.823 -0.609 0.000 1.061 714 V HN 0.727 nan 8.190 nan 0.000 0.484 715 R N 5.071 125.511 120.500 -0.100 0.000 2.254 715 R HA 0.515 4.856 4.340 0.001 0.000 0.318 715 R C -1.909 174.385 176.300 -0.010 0.000 1.031 715 R CA -0.911 55.163 56.100 -0.043 0.000 0.905 715 R CB 1.624 31.914 30.300 -0.018 0.000 1.050 715 R HN 0.589 nan 8.270 nan 0.000 0.456 725 M N 1.717 121.310 119.600 -0.011 0.000 2.265 725 M HA 0.290 4.770 4.480 0.001 0.000 0.251 725 M C -0.902 175.354 176.300 -0.072 0.000 1.005 725 M CA -0.029 55.247 55.300 -0.041 0.000 0.998 725 M CB 2.025 34.613 32.600 -0.020 0.000 2.070 725 M HN 0.977 nan 8.290 nan 0.000 0.476 726 E N 3.349 123.457 120.200 -0.155 0.000 2.249 726 E HA 0.753 5.103 4.350 0.001 0.000 0.263 726 E C -1.496 174.935 176.600 -0.282 0.000 0.950 726 E CA -0.632 55.656 56.400 -0.187 0.000 0.827 726 E CB 1.977 31.593 29.700 -0.140 0.000 1.220 726 E HN 0.662 nan 8.360 nan 0.000 0.411 727 I N 3.126 123.538 120.570 -0.262 0.000 2.389 727 I HA 0.293 4.464 4.170 0.001 0.000 0.288 727 I C -0.872 175.091 176.117 -0.257 0.000 0.999 727 I CA -1.109 59.972 61.300 -0.364 0.000 1.129 727 I CB 1.640 39.303 38.000 -0.562 0.000 1.288 727 I HN 0.308 nan 8.210 nan 0.000 0.444 728 V N 5.558 125.314 119.914 -0.263 0.000 2.532 728 V HA 0.275 4.395 4.120 0.001 0.000 0.295 728 V C -0.163 175.921 176.094 -0.016 0.000 1.041 728 V CA -0.346 61.920 62.300 -0.055 0.000 0.926 728 V CB 1.465 33.276 31.823 -0.020 0.000 0.992 728 V HN 0.599 nan 8.190 nan 0.000 0.457 729 Y N 0.691 121.065 120.300 0.124 0.000 2.559 729 Y HA 0.209 4.760 4.550 0.001 0.000 0.279 729 Y C 0.848 176.786 175.900 0.063 0.000 1.117 729 Y CA 0.114 58.305 58.100 0.151 0.000 1.263 729 Y CB 0.541 39.033 38.460 0.053 0.000 1.230 729 Y HN 0.859 nan 8.280 nan 0.000 0.528 730 D N -1.477 118.911 120.400 -0.020 0.000 2.559 730 D HA 0.092 4.733 4.640 0.001 0.000 0.250 730 D C 0.685 176.716 176.300 -0.447 0.000 1.135 730 D CA -0.595 53.079 54.000 -0.543 0.000 0.955 730 D CB 0.810 41.453 40.800 -0.261 0.000 1.442 730 D HN 0.076 nan 8.370 nan 0.000 0.471 731 E N 0.295 120.171 120.200 -0.540 0.000 2.068 731 E HA -0.339 4.011 4.350 0.001 0.000 0.207 731 E C 1.875 178.492 176.600 0.029 0.000 1.032 731 E CA 2.152 58.486 56.400 -0.111 0.000 0.839 731 E CB -0.323 29.334 29.700 -0.071 0.000 0.758 731 E HN 0.542 nan 8.360 nan 0.000 0.457 732 A N 0.817 123.630 122.820 -0.012 0.000 1.917 732 A HA -0.281 4.040 4.320 0.001 0.000 0.219 732 A C 1.881 179.510 177.584 0.076 0.000 1.182 732 A CA 2.275 54.331 52.037 0.031 0.000 0.633 732 A CB -0.860 18.143 19.000 0.005 0.000 0.819 732 A HN 0.408 nan 8.150 nan 0.000 0.448 733 D N -1.175 119.268 120.400 0.072 0.000 2.178 733 D HA -0.114 4.527 4.640 0.001 0.000 0.201 733 D C 1.749 178.160 176.300 0.186 0.000 0.980 733 D CA 0.983 55.056 54.000 0.120 0.000 0.842 733 D CB -0.069 40.811 40.800 0.134 0.000 0.948 733 D HN 0.315 nan 8.370 nan 0.000 0.472 734 L N 1.059 122.424 121.223 0.236 0.000 2.027 734 L HA -0.079 4.262 4.340 0.001 0.000 0.206 734 L C 1.885 179.034 176.870 0.465 0.000 1.074 734 L CA 1.622 56.668 54.840 0.343 0.000 0.745 734 L CB -0.530 41.791 42.059 0.437 0.000 0.898 734 L HN -0.032 nan 8.230 nan 0.000 0.433 735 R N -0.721 119.988 120.500 0.348 0.000 2.080 735 R HA -0.197 4.144 4.340 0.001 0.000 0.236 735 R C 2.342 178.811 176.300 0.282 0.000 1.137 735 R CA 1.449 57.738 56.100 0.316 0.000 0.943 735 R CB -0.858 29.539 30.300 0.163 0.000 0.846 735 R HN 0.345 nan 8.270 nan 0.000 0.431 736 R N 0.428 121.044 120.500 0.194 0.000 2.133 736 R HA -0.273 4.068 4.340 0.001 0.000 0.245 736 R C 2.295 178.676 176.300 0.134 0.000 1.137 736 R CA 2.342 58.523 56.100 0.135 0.000 0.947 736 R CB -0.608 29.762 30.300 0.116 0.000 0.865 736 R HN 0.356 nan 8.270 nan 0.000 0.437 737 Y N 0.052 120.367 120.300 0.025 0.000 2.114 737 Y HA -0.275 4.276 4.550 0.002 0.000 0.284 737 Y C 2.049 177.904 175.900 -0.075 0.000 1.143 737 Y CA 1.983 60.037 58.100 -0.077 0.000 1.135 737 Y CB -0.641 37.692 38.460 -0.211 0.000 0.980 737 Y HN -0.000 nan 8.280 nan 0.000 0.499 738 F N 1.215 121.215 119.950 0.084 0.000 2.141 738 F HA -0.361 4.166 4.527 0.001 0.000 0.300 738 F C 2.599 178.327 175.800 -0.121 0.000 1.079 738 F CA 2.152 60.144 58.000 -0.013 0.000 1.264 738 F CB -1.035 38.027 39.000 0.103 0.000 1.011 738 F HN 0.281 nan 8.300 nan 0.000 0.487 739 Q N 0.086 119.933 119.800 0.079 0.000 1.809 739 Q HA -0.234 4.107 4.340 0.001 0.000 0.269 739 Q C 2.495 178.443 176.000 -0.088 0.000 0.984 739 Q CA 3.037 58.847 55.803 0.012 0.000 0.885 739 Q CB -0.655 28.091 28.738 0.014 0.000 0.933 739 Q HN 0.428 nan 8.270 nan 0.000 0.422 740 T N -0.356 114.117 114.554 -0.135 0.000 2.684 740 T HA -0.252 4.099 4.350 0.001 0.000 0.267 740 T C 1.005 175.541 174.700 -0.274 0.000 1.032 740 T CA 1.170 63.164 62.100 -0.177 0.000 1.155 740 T CB -1.138 67.638 68.868 -0.154 0.000 0.857 740 T HN 0.566 nan 8.240 nan 0.000 0.457 751 L N 5.541 126.786 121.223 0.037 0.000 2.367 751 L HA 0.460 4.801 4.340 0.001 0.000 0.275 751 L C -0.516 176.354 176.870 0.001 0.000 1.129 751 L CA 0.220 55.075 54.840 0.025 0.000 0.839 751 L CB 0.810 42.882 42.059 0.021 0.000 1.133 751 L HN 0.436 nan 8.230 nan 0.000 0.453 752 L N 3.790 125.018 121.223 0.007 0.000 2.333 752 L HA 0.498 4.838 4.340 0.001 0.000 0.280 752 L C -0.844 176.018 176.870 -0.013 0.000 1.004 752 L CA -0.094 54.734 54.840 -0.020 0.000 0.820 752 L CB 1.743 43.796 42.059 -0.010 0.000 1.247 752 L HN 0.518 nan 8.230 nan 0.000 0.416 753 D N -0.452 119.930 120.400 -0.029 0.000 2.819 753 D HA 0.286 4.927 4.640 0.001 0.000 0.232 753 D C -1.064 175.238 176.300 0.004 0.000 1.160 753 D CA -0.560 53.441 54.000 0.002 0.000 0.858 753 D CB 1.365 42.171 40.800 0.010 0.000 1.610 753 D HN 0.447 nan 8.370 nan 0.000 0.481 754 H N 1.399 120.434 119.070 -0.058 0.000 2.886 754 H HA 0.227 4.784 4.556 0.001 0.000 0.329 754 H C -1.075 174.223 175.328 -0.051 0.000 1.044 754 H CA -0.122 55.882 56.048 -0.075 0.000 1.456 754 H CB 0.277 29.986 29.762 -0.090 0.000 1.464 754 H HN 0.258 nan 8.280 nan 0.000 0.573 755 F N 6.430 125.807 119.950 -0.956 0.000 2.421 755 F HA 0.246 4.774 4.527 0.001 0.000 0.358 755 F C -0.845 174.474 175.800 -0.802 0.000 1.115 755 F CA -0.914 56.666 58.000 -0.700 0.000 1.160 755 F CB 0.263 38.963 39.000 -0.499 0.000 1.123 755 F HN 0.520 nan 8.300 nan 0.000 0.508 756 L N 6.403 126.825 121.223 -1.334 0.000 2.401 756 L HA 0.162 4.503 4.340 0.001 0.000 0.283 756 L C 0.223 176.376 176.870 -1.195 0.000 1.151 756 L CA -0.433 53.783 54.840 -1.040 0.000 0.942 756 L CB -0.566 41.049 42.059 -0.740 0.000 1.283 756 L HN 0.542 nan 8.230 nan 0.000 0.442 757 D N 2.818 122.742 120.400 -0.794 0.000 2.378 757 D HA -0.078 4.563 4.640 0.001 0.000 0.238 757 D C 0.646 176.834 176.300 -0.186 0.000 1.180 757 D CA 0.248 54.066 54.000 -0.303 0.000 0.895 757 D CB 0.603 41.420 40.800 0.029 0.000 1.192 757 D HN 0.501 nan 8.370 nan 0.000 0.438 758 D N -0.476 119.904 120.400 -0.033 0.000 2.713 758 D HA -0.210 4.431 4.640 0.001 0.000 0.231 758 D C -0.575 175.689 176.300 -0.060 0.000 1.173 758 D CA 0.803 54.795 54.000 -0.013 0.000 0.628 758 D CB -1.020 39.788 40.800 0.013 0.000 1.033 758 D HN 0.354 nan 8.370 nan 0.000 0.419 759 A N -0.213 122.545 122.820 -0.103 0.000 2.320 759 A HA 0.608 4.929 4.320 0.001 0.000 0.334 759 A C 0.169 177.727 177.584 -0.042 0.000 1.147 759 A CA -0.595 51.380 52.037 -0.103 0.000 0.820 759 A CB 1.797 20.676 19.000 -0.201 0.000 1.218 759 A HN 0.046 nan 8.150 nan 0.000 0.482 760 V N 2.007 121.902 119.914 -0.031 0.000 2.406 760 V HA 0.254 4.375 4.120 0.001 0.000 0.272 760 V C 0.386 176.462 176.094 -0.030 0.000 1.043 760 V CA -0.277 62.015 62.300 -0.014 0.000 0.915 760 V CB 0.961 32.763 31.823 -0.036 0.000 0.988 760 V HN 0.975 nan 8.190 nan 0.000 0.466 761 E N 4.036 124.205 120.200 -0.051 0.000 2.249 761 E HA 0.602 4.952 4.350 0.001 0.000 0.280 761 E C -1.362 174.919 176.600 -0.533 0.000 1.016 761 E CA -0.379 55.888 56.400 -0.221 0.000 0.830 761 E CB 1.705 31.321 29.700 -0.141 0.000 1.081 761 E HN 0.485 nan 8.360 nan 0.000 0.395 762 V N 3.970 123.678 119.914 -0.344 0.000 2.823 762 V HA 0.325 4.445 4.120 0.001 0.000 0.312 762 V C -0.666 175.383 176.094 -0.074 0.000 1.072 762 V CA -0.884 61.285 62.300 -0.217 0.000 0.937 762 V CB 2.208 34.044 31.823 0.022 0.000 1.013 762 V HN 0.768 nan 8.190 nan 0.000 0.430 763 D N 1.621 122.049 120.400 0.047 0.000 2.362 763 D HA 0.626 5.266 4.640 0.001 0.000 0.247 763 D C -1.379 175.026 176.300 0.174 0.000 1.050 763 D CA -0.068 54.020 54.000 0.148 0.000 0.839 763 D CB 2.532 43.471 40.800 0.231 0.000 1.283 763 D HN 0.273 nan 8.370 nan 0.000 0.477 764 V N 3.262 123.280 119.914 0.174 0.000 2.482 764 V HA 0.235 4.356 4.120 0.001 0.000 0.295 764 V C -0.409 175.755 176.094 0.117 0.000 1.026 764 V CA -0.928 61.472 62.300 0.167 0.000 0.856 764 V CB 2.104 34.062 31.823 0.225 0.000 1.001 764 V HN 0.407 nan 8.190 nan 0.000 0.424 765 D N 3.726 124.184 120.400 0.096 0.000 2.198 765 D HA 0.796 5.437 4.640 0.001 0.000 0.245 765 D C -0.037 176.295 176.300 0.054 0.000 1.079 765 D CA 0.175 54.214 54.000 0.065 0.000 0.854 765 D CB 2.526 43.358 40.800 0.053 0.000 1.148 765 D HN 0.779 nan 8.370 nan 0.000 0.456 766 A N 2.118 124.961 122.820 0.039 0.000 2.593 766 A HA 0.774 5.095 4.320 0.001 0.000 0.290 766 A C -1.280 176.312 177.584 0.013 0.000 1.126 766 A CA -0.651 51.402 52.037 0.026 0.000 0.695 766 A CB 1.326 20.340 19.000 0.024 0.000 1.290 766 A HN 0.497 nan 8.150 nan 0.000 0.414 767 I N 0.094 120.666 120.570 0.003 0.000 2.533 767 I HA 0.510 4.681 4.170 0.001 0.000 0.290 767 I C -0.798 175.296 176.117 -0.038 0.000 1.056 767 I CA -0.526 60.774 61.300 -0.000 0.000 1.057 767 I CB 1.891 39.908 38.000 0.027 0.000 1.240 767 I HN 0.684 nan 8.210 nan 0.000 0.423 768 C N 5.015 124.276 119.300 -0.066 0.000 2.498 768 C HA 0.541 5.001 4.460 0.001 0.000 0.316 768 C C 0.046 175.007 174.990 -0.049 0.000 1.209 768 C CA -0.390 58.554 59.018 -0.125 0.000 1.518 768 C CB 1.142 28.701 27.740 -0.303 0.000 2.147 768 C HN 0.934 nan 8.230 nan 0.000 0.483 769 D N 1.710 122.110 120.400 0.001 0.000 2.501 769 D HA 0.279 4.920 4.640 0.001 0.000 0.224 769 D C 1.341 177.688 176.300 0.079 0.000 1.202 769 D CA 0.522 54.545 54.000 0.039 0.000 0.829 769 D CB -0.057 40.772 40.800 0.048 0.000 1.023 769 D HN 1.410 nan 8.370 nan 0.000 0.499 770 G N 0.545 109.412 108.800 0.113 0.000 2.245 770 G HA2 -0.413 3.548 3.960 0.001 0.000 0.264 770 G HA3 -0.413 3.548 3.960 0.001 0.000 0.264 770 G C 0.949 176.018 174.900 0.282 0.000 0.985 770 G CA 0.637 45.860 45.100 0.204 0.000 0.625 770 G HN 0.457 nan 8.290 nan 0.000 0.536 771 E N -0.706 119.640 120.200 0.245 0.000 2.228 771 E HA 0.449 4.800 4.350 0.001 0.000 0.197 771 E C 1.396 178.157 176.600 0.268 0.000 0.909 771 E CA 0.793 57.307 56.400 0.190 0.000 0.911 771 E CB 0.142 29.910 29.700 0.112 0.000 0.887 771 E HN 0.739 nan 8.360 nan 0.000 0.481 772 M N -1.143 118.636 119.600 0.300 0.000 2.664 772 M HA 0.528 5.008 4.480 0.001 0.000 0.279 772 M C -1.621 174.807 176.300 0.214 0.000 1.275 772 M CA -0.913 54.581 55.300 0.324 0.000 0.829 772 M CB 2.492 35.191 32.600 0.164 0.000 1.727 772 M HN -0.310 nan 8.290 nan 0.000 0.459 773 V N 2.605 122.632 119.914 0.188 0.000 2.378 773 V HA 0.454 4.575 4.120 0.001 0.000 0.288 773 V C -1.067 175.051 176.094 0.039 0.000 1.016 773 V CA -0.622 61.683 62.300 0.009 0.000 0.840 773 V CB 1.476 33.251 31.823 -0.080 0.000 0.994 773 V HN 0.740 nan 8.190 nan 0.000 0.431 774 L N 6.929 128.161 121.223 0.016 0.000 2.259 774 L HA 0.517 4.858 4.340 0.001 0.000 0.288 774 L C -0.160 176.722 176.870 0.019 0.000 1.051 774 L CA -0.021 54.832 54.840 0.023 0.000 0.824 774 L CB 0.616 42.688 42.059 0.022 0.000 1.206 774 L HN 0.402 nan 8.230 nan 0.000 0.429 775 I N 5.702 126.286 120.570 0.023 0.000 2.578 775 I HA 0.089 4.260 4.170 0.001 0.000 0.286 775 I C 1.472 177.601 176.117 0.020 0.000 1.126 775 I CA 0.427 61.743 61.300 0.026 0.000 1.380 775 I CB 0.178 38.194 38.000 0.027 0.000 1.408 775 I HN 0.794 nan 8.210 nan 0.000 0.532 776 G N 5.248 114.064 108.800 0.027 0.000 2.408 776 G HA2 0.319 4.280 3.960 0.001 0.000 0.213 776 G HA3 0.319 4.280 3.960 0.001 0.000 0.213 776 G C 0.620 175.534 174.900 0.023 0.000 1.177 776 G CA 0.633 45.746 45.100 0.021 0.000 0.802 776 G HN 0.829 nan 8.290 nan 0.000 0.533 777 G N -0.641 108.188 108.800 0.048 0.000 2.657 777 G HA2 0.420 4.381 3.960 0.001 0.000 0.303 777 G HA3 0.420 4.381 3.960 0.001 0.000 0.303 777 G C -1.334 173.627 174.900 0.101 0.000 1.457 777 G CA -0.832 44.306 45.100 0.063 0.000 0.982 777 G HN 0.148 nan 8.290 nan 0.000 0.583 778 I N 2.425 123.055 120.570 0.099 0.000 2.307 778 I HA 0.356 4.527 4.170 0.001 0.000 0.289 778 I C 0.003 176.219 176.117 0.165 0.000 1.021 778 I CA -0.235 61.133 61.300 0.114 0.000 1.224 778 I CB 1.320 39.361 38.000 0.068 0.000 1.376 778 I HN 0.251 nan 8.210 nan 0.000 0.470 779 M N 5.966 125.688 119.600 0.203 0.000 2.227 779 M HA 0.324 4.805 4.480 0.001 0.000 0.335 779 M C -0.201 176.254 176.300 0.257 0.000 1.053 779 M CA -0.284 55.180 55.300 0.274 0.000 0.973 779 M CB 1.956 34.750 32.600 0.324 0.000 1.623 779 M HN 0.404 nan 8.290 nan 0.000 0.434 780 E N 3.161 123.537 120.200 0.293 0.000 2.167 780 E HA 0.191 4.541 4.350 0.001 0.000 0.284 780 E C -0.948 175.904 176.600 0.420 0.000 1.016 780 E CA -0.314 56.254 56.400 0.280 0.000 0.817 780 E CB 0.756 30.627 29.700 0.284 0.000 1.080 780 E HN 0.652 nan 8.360 nan 0.000 0.397 781 H N 3.547 122.737 119.070 0.200 0.000 2.652 781 H HA 0.018 4.574 4.556 0.001 0.000 0.349 781 H C 0.914 176.391 175.328 0.249 0.000 1.099 781 H CA -0.762 55.397 56.048 0.185 0.000 1.417 781 H CB 1.238 31.078 29.762 0.131 0.000 1.457 781 H HN 0.532 nan 8.280 nan 0.000 0.568 782 I N 1.559 122.351 120.570 0.371 0.000 2.162 782 I HA -0.136 4.034 4.170 0.001 0.000 0.238 782 I C 0.684 176.967 176.117 0.277 0.000 1.076 782 I CA 1.131 62.634 61.300 0.337 0.000 1.353 782 I CB -0.139 38.035 38.000 0.290 0.000 1.063 782 I HN 0.613 nan 8.210 nan 0.000 0.408 783 E N 1.982 122.323 120.200 0.235 0.000 2.392 783 E HA 0.048 4.399 4.350 0.001 0.000 0.264 783 E C 0.146 176.880 176.600 0.225 0.000 1.024 783 E CA -0.278 56.244 56.400 0.204 0.000 0.903 783 E CB 0.216 30.016 29.700 0.165 0.000 0.963 783 E HN 0.153 nan 8.360 nan 0.000 0.432 784 Q N 1.629 121.542 119.800 0.188 0.000 2.535 784 Q HA 0.188 4.529 4.340 0.001 0.000 0.228 784 Q C -0.345 175.765 176.000 0.183 0.000 1.062 784 Q CA -0.415 55.486 55.803 0.163 0.000 0.967 784 Q CB 0.405 29.226 28.738 0.139 0.000 1.273 784 Q HN 0.493 nan 8.270 nan 0.000 0.554 785 A N -0.007 122.886 122.820 0.121 0.000 2.540 785 A HA 0.419 4.739 4.320 0.001 0.000 0.239 785 A C 1.158 178.903 177.584 0.268 0.000 1.061 785 A CA 0.845 52.953 52.037 0.119 0.000 0.758 785 A CB -0.838 18.144 19.000 -0.030 0.000 0.991 785 A HN 1.422 nan 8.150 nan 0.000 0.502 786 G N 0.749 109.731 108.800 0.303 0.000 2.428 786 G HA2 -0.111 3.849 3.960 0.001 0.000 0.199 786 G HA3 -0.111 3.849 3.960 0.001 0.000 0.199 786 G C 0.071 175.073 174.900 0.170 0.000 1.005 786 G CA 0.005 45.305 45.100 0.334 0.000 0.671 786 G HN 1.400 nan 8.290 nan 0.000 0.485 787 V N 3.583 123.603 119.914 0.178 0.000 2.333 787 V HA 0.401 4.522 4.120 0.001 0.000 0.274 787 V C 0.794 176.983 176.094 0.158 0.000 1.028 787 V CA -0.991 61.404 62.300 0.158 0.000 0.851 787 V CB 1.125 33.038 31.823 0.151 0.000 1.000 787 V HN 0.436 nan 8.190 nan 0.000 0.456 788 H N 3.969 123.085 119.070 0.077 0.000 3.173 788 H HA -0.097 4.459 4.556 0.001 0.000 0.311 788 H C 1.716 177.064 175.328 0.034 0.000 0.972 788 H CA 1.076 57.160 56.048 0.059 0.000 1.384 788 H CB 1.090 30.871 29.762 0.032 0.000 1.349 788 H HN 0.905 nan 8.280 nan 0.000 0.582 789 S N 3.034 118.590 115.700 -0.239 0.000 2.380 789 S HA -0.198 4.273 4.470 0.001 0.000 0.229 789 S C 2.266 176.858 174.600 -0.014 0.000 1.043 789 S CA 1.257 59.394 58.200 -0.105 0.000 1.038 789 S CB -0.769 62.442 63.200 0.018 0.000 0.872 789 S HN 0.747 nan 8.310 nan 0.000 0.456 790 G N 0.658 109.679 108.800 0.368 0.000 2.559 790 G HA2 -0.041 3.920 3.960 0.001 0.000 0.216 790 G HA3 -0.041 3.920 3.960 0.001 0.000 0.216 790 G C 0.737 175.684 174.900 0.078 0.000 1.126 790 G CA 0.838 46.069 45.100 0.218 0.000 0.778 790 G HN 0.577 nan 8.290 nan 0.000 0.543 791 D N -0.425 120.032 120.400 0.096 0.000 2.431 791 D HA 0.197 4.837 4.640 0.001 0.000 0.213 791 D C 0.439 176.743 176.300 0.007 0.000 1.130 791 D CA -0.007 54.018 54.000 0.042 0.000 0.834 791 D CB 0.755 41.608 40.800 0.089 0.000 0.985 791 D HN 0.045 nan 8.370 nan 0.000 0.504 792 S N 0.531 116.189 115.700 -0.071 0.000 2.554 792 S HA 0.676 5.147 4.470 0.001 0.000 0.278 792 S C 0.238 174.757 174.600 -0.135 0.000 1.242 792 S CA -0.737 57.392 58.200 -0.119 0.000 1.051 792 S CB 1.878 64.876 63.200 -0.336 0.000 0.986 792 S HN 0.223 nan 8.310 nan 0.000 0.502 793 A N 1.285 124.095 122.820 -0.018 0.000 2.322 793 A HA 0.620 4.940 4.320 0.001 0.000 0.269 793 A C 0.362 177.958 177.584 0.019 0.000 1.094 793 A CA -0.604 51.430 52.037 -0.006 0.000 0.807 793 A CB -0.379 18.707 19.000 0.144 0.000 1.047 793 A HN 1.145 nan 8.150 nan 0.000 0.487 794 C N -0.246 119.042 119.300 -0.020 0.000 3.080 794 C HA 0.909 5.370 4.460 0.001 0.000 0.307 794 C C -0.128 174.973 174.990 0.185 0.000 1.311 794 C CA -0.587 58.493 59.018 0.104 0.000 1.533 794 C CB 1.048 28.837 27.740 0.082 0.000 1.970 794 C HN 1.011 nan 8.230 nan 0.000 0.467 795 S N 0.552 116.456 115.700 0.340 0.000 2.521 795 S HA 0.817 5.288 4.470 0.001 0.000 0.295 795 S C -1.377 173.513 174.600 0.483 0.000 1.098 795 S CA -0.523 57.951 58.200 0.457 0.000 0.999 795 S CB 1.206 64.706 63.200 0.501 0.000 1.034 795 S HN 1.082 nan 8.310 nan 0.000 0.483 796 L N 6.184 127.717 121.223 0.515 0.000 2.441 796 L HA 0.618 4.959 4.340 0.001 0.000 0.270 796 L C -2.614 174.401 176.870 0.242 0.000 0.973 796 L CA -1.962 53.092 54.840 0.356 0.000 0.842 796 L CB 2.308 44.562 42.059 0.325 0.000 1.239 796 L HN 0.480 nan 8.230 nan 0.000 0.406 797 P HA 0.209 nan 4.420 nan 0.000 0.274 797 P C -0.610 176.892 177.300 0.338 0.000 1.256 797 P CA -0.363 62.814 63.100 0.128 0.000 0.795 797 P CB 0.604 32.286 31.700 -0.031 0.000 1.038 798 A N 0.687 123.663 122.820 0.260 0.000 2.547 798 A HA 0.045 4.366 4.320 0.001 0.000 0.233 798 A C 0.570 178.381 177.584 0.379 0.000 1.067 798 A CA 0.356 52.570 52.037 0.295 0.000 0.763 798 A CB -0.882 18.200 19.000 0.136 0.000 1.007 798 A HN 0.789 nan 8.150 nan 0.000 0.506 799 Y N -0.977 119.358 120.300 0.059 0.000 2.481 799 Y HA 0.337 4.888 4.550 0.001 0.000 0.247 799 Y C 1.342 177.139 175.900 -0.171 0.000 1.151 799 Y CA 0.533 58.580 58.100 -0.088 0.000 1.238 799 Y CB 0.302 38.433 38.460 -0.548 0.000 1.179 799 Y HN 0.632 nan 8.280 nan 0.000 0.524 800 T N -1.657 112.546 114.554 -0.586 0.000 3.028 800 T HA 0.318 4.669 4.350 0.001 0.000 0.262 800 T C 0.054 174.593 174.700 -0.268 0.000 0.916 800 T CA -0.217 61.573 62.100 -0.516 0.000 0.873 800 T CB -0.496 67.913 68.868 -0.765 0.000 1.232 800 T HN 0.142 nan 8.240 nan 0.000 0.529 801 L N 3.969 125.077 121.223 -0.191 0.000 2.380 801 L HA 0.503 4.843 4.340 0.001 0.000 0.273 801 L C 0.957 177.776 176.870 -0.084 0.000 1.138 801 L CA -0.754 54.014 54.840 -0.119 0.000 0.832 801 L CB 1.020 43.028 42.059 -0.086 0.000 1.124 801 L HN 0.369 nan 8.230 nan 0.000 0.454 802 S N 1.468 117.119 115.700 -0.082 0.000 2.573 802 S HA -0.036 4.435 4.470 0.001 0.000 0.277 802 S C 0.735 175.301 174.600 -0.056 0.000 1.346 802 S CA -0.351 57.810 58.200 -0.065 0.000 1.034 802 S CB 1.268 64.429 63.200 -0.065 0.000 0.879 802 S HN 0.703 nan 8.310 nan 0.000 0.528 803 Q N 1.230 121.003 119.800 -0.045 0.000 2.050 803 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 803 Q C 2.062 178.033 176.000 -0.050 0.000 0.980 803 Q CA 2.368 58.146 55.803 -0.041 0.000 0.840 803 Q CB -0.540 28.178 28.738 -0.032 0.000 0.898 803 Q HN 0.968 nan 8.270 nan 0.000 0.424 804 E N -0.259 119.911 120.200 -0.050 0.000 2.035 804 E HA -0.252 4.099 4.350 0.001 0.000 0.204 804 E C 1.911 178.468 176.600 -0.071 0.000 1.025 804 E CA 1.761 58.128 56.400 -0.055 0.000 0.835 804 E CB -0.437 29.233 29.700 -0.051 0.000 0.764 804 E HN 0.485 nan 8.360 nan 0.000 0.457 805 I N 0.782 121.304 120.570 -0.079 0.000 2.264 805 I HA -0.277 3.894 4.170 0.001 0.000 0.248 805 I C 2.435 178.473 176.117 -0.131 0.000 1.111 805 I CA 1.580 62.818 61.300 -0.103 0.000 1.382 805 I CB -0.553 37.390 38.000 -0.095 0.000 1.060 805 I HN 0.384 nan 8.210 nan 0.000 0.418 806 Q N -0.068 119.669 119.800 -0.106 0.000 2.167 806 Q HA -0.202 4.138 4.340 0.001 0.000 0.202 806 Q C 1.649 177.581 176.000 -0.114 0.000 0.970 806 Q CA 1.299 57.034 55.803 -0.112 0.000 0.855 806 Q CB 0.001 28.700 28.738 -0.066 0.000 0.911 806 Q HN 0.478 nan 8.270 nan 0.000 0.438 807 D N -0.033 120.314 120.400 -0.088 0.000 2.178 807 D HA -0.117 4.524 4.640 0.001 0.000 0.202 807 D C 1.953 178.200 176.300 -0.088 0.000 0.974 807 D CA 0.877 54.835 54.000 -0.071 0.000 0.841 807 D CB -0.009 40.761 40.800 -0.050 0.000 0.953 807 D HN 0.079 nan 8.370 nan 0.000 0.478 808 V N 1.073 120.915 119.914 -0.120 0.000 2.332 808 V HA -0.261 3.860 4.120 0.001 0.000 0.248 808 V C 2.549 178.521 176.094 -0.202 0.000 1.055 808 V CA 1.415 63.632 62.300 -0.139 0.000 1.038 808 V CB -0.461 31.265 31.823 -0.160 0.000 0.651 808 V HN 0.196 nan 8.190 nan 0.000 0.450 809 M N -0.858 118.539 119.600 -0.338 0.000 2.132 809 M HA -0.131 4.349 4.480 0.001 0.000 0.263 809 M C 2.524 178.689 176.300 -0.225 0.000 1.065 809 M CA 1.714 56.654 55.300 -0.600 0.000 1.122 809 M CB -0.464 31.630 32.600 -0.843 0.000 1.365 809 M HN 0.178 nan 8.290 nan 0.000 0.411 810 R N 0.249 120.674 120.500 -0.124 0.000 2.083 810 R HA -0.232 4.109 4.340 0.001 0.000 0.237 810 R C 2.281 178.593 176.300 0.020 0.000 1.137 810 R CA 2.052 58.140 56.100 -0.021 0.000 0.951 810 R CB -0.548 29.740 30.300 -0.019 0.000 0.851 810 R HN 0.521 nan 8.270 nan 0.000 0.434 811 Q N 0.815 120.613 119.800 -0.003 0.000 2.084 811 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 811 Q C 1.934 177.975 176.000 0.069 0.000 0.978 811 Q CA 1.571 57.392 55.803 0.030 0.000 0.844 811 Q CB 0.006 28.746 28.738 0.003 0.000 0.898 811 Q HN 0.394 nan 8.270 nan 0.000 0.426 812 Q N -0.408 119.430 119.800 0.063 0.000 2.224 812 Q HA -0.091 4.250 4.340 0.001 0.000 0.203 812 Q C 2.046 178.181 176.000 0.225 0.000 0.970 812 Q CA 1.335 57.228 55.803 0.151 0.000 0.865 812 Q CB 0.294 29.148 28.738 0.194 0.000 0.922 812 Q HN 0.292 nan 8.270 nan 0.000 0.445 813 V N 0.446 120.496 119.914 0.226 0.000 2.453 813 V HA -0.253 3.867 4.120 0.001 0.000 0.247 813 V C 2.195 178.355 176.094 0.111 0.000 1.048 813 V CA 1.936 64.356 62.300 0.200 0.000 1.049 813 V CB -0.409 31.533 31.823 0.198 0.000 0.672 813 V HN 0.429 nan 8.190 nan 0.000 0.457 814 Q N 0.290 120.168 119.800 0.130 0.000 2.049 814 Q HA -0.237 4.104 4.340 0.001 0.000 0.198 814 Q C 2.254 178.425 176.000 0.284 0.000 0.971 814 Q CA 1.751 57.658 55.803 0.173 0.000 0.833 814 Q CB -0.094 28.805 28.738 0.269 0.000 0.896 814 Q HN 0.533 nan 8.270 nan 0.000 0.434 815 K N 0.266 120.811 120.400 0.242 0.000 2.020 815 K HA -0.171 4.149 4.320 0.001 0.000 0.212 815 K C 2.081 178.803 176.600 0.203 0.000 1.050 815 K CA 1.895 58.320 56.287 0.230 0.000 0.929 815 K CB -0.210 32.375 32.500 0.141 0.000 0.714 815 K HN 0.225 nan 8.250 nan 0.000 0.443 816 L N -0.003 121.306 121.223 0.143 0.000 2.046 816 L HA -0.216 4.125 4.340 0.001 0.000 0.208 816 L C 2.475 179.371 176.870 0.044 0.000 1.077 816 L CA 1.242 56.148 54.840 0.110 0.000 0.747 816 L CB -0.565 41.567 42.059 0.121 0.000 0.896 816 L HN 0.263 nan 8.230 nan 0.000 0.432 817 A N 0.226 123.009 122.820 -0.062 0.000 1.873 817 A HA -0.240 4.081 4.320 0.001 0.000 0.218 817 A C 2.022 179.436 177.584 -0.284 0.000 1.193 817 A CA 1.931 53.812 52.037 -0.260 0.000 0.629 817 A CB -0.934 17.745 19.000 -0.535 0.000 0.826 817 A HN 0.305 nan 8.150 nan 0.000 0.447 818 F N -0.329 119.649 119.950 0.047 0.000 2.113 818 F HA -0.063 4.464 4.527 0.001 0.000 0.297 818 F C 2.369 178.193 175.800 0.039 0.000 1.103 818 F CA 1.522 59.545 58.000 0.038 0.000 1.248 818 F CB -0.790 38.230 39.000 0.032 0.000 0.999 818 F HN 0.291 nan 8.300 nan 0.000 0.475 819 E N 0.972 121.303 120.200 0.218 0.000 2.085 819 E HA -0.188 4.162 4.350 0.001 0.000 0.194 819 E C 1.906 178.568 176.600 0.104 0.000 0.994 819 E CA 1.504 57.989 56.400 0.142 0.000 0.801 819 E CB -0.550 29.221 29.700 0.118 0.000 0.743 819 E HN 0.436 nan 8.360 nan 0.000 0.453 820 L N -0.093 121.180 121.223 0.084 0.000 2.478 820 L HA 0.057 4.397 4.340 0.001 0.000 0.223 820 L C 0.451 177.348 176.870 0.044 0.000 1.140 820 L CA 0.400 55.278 54.840 0.064 0.000 0.842 820 L CB -0.117 41.978 42.059 0.060 0.000 0.953 820 L HN 0.152 nan 8.230 nan 0.000 0.452 821 Q N -0.258 119.569 119.800 0.045 0.000 2.464 821 Q HA -0.140 4.200 4.340 0.001 0.000 0.286 821 Q C -0.399 175.604 176.000 0.004 0.000 1.343 821 Q CA 0.118 55.945 55.803 0.041 0.000 0.772 821 Q CB -2.016 26.751 28.738 0.048 0.000 1.160 821 Q HN 0.217 nan 8.270 nan 0.000 0.422 822 V N 1.578 121.470 119.914 -0.037 0.000 2.655 822 V HA 0.092 4.213 4.120 0.001 0.000 0.300 822 V C 0.918 176.989 176.094 -0.038 0.000 1.044 822 V CA 0.587 62.861 62.300 -0.043 0.000 1.095 822 V CB 0.972 32.752 31.823 -0.071 0.000 0.952 822 V HN 0.166 nan 8.190 nan 0.000 0.485 823 R N 3.971 124.463 120.500 -0.014 0.000 2.513 823 R HA 0.614 4.955 4.340 0.001 0.000 0.283 823 R C 0.285 176.587 176.300 0.002 0.000 1.535 823 R CA 0.372 56.468 56.100 -0.007 0.000 1.315 823 R CB 0.966 31.264 30.300 -0.003 0.000 1.163 823 R HN 1.089 nan 8.270 nan 0.000 0.573 824 G N 1.053 109.861 108.800 0.014 0.000 2.297 824 G HA2 -0.151 3.809 3.960 0.001 0.000 0.209 824 G HA3 -0.151 3.809 3.960 0.001 0.000 0.209 824 G C -1.008 173.937 174.900 0.075 0.000 1.267 824 G CA -1.023 44.110 45.100 0.056 0.000 1.127 824 G HN 0.280 nan 8.290 nan 0.000 0.498 825 L N 1.161 122.470 121.223 0.144 0.000 2.472 825 L HA 0.755 5.096 4.340 0.001 0.000 0.260 825 L C 1.005 177.915 176.870 0.066 0.000 1.209 825 L CA 0.143 55.044 54.840 0.102 0.000 0.817 825 L CB 0.917 43.043 42.059 0.111 0.000 1.106 825 L HN 0.890 nan 8.230 nan 0.000 0.479 826 M N 0.664 120.287 119.600 0.038 0.000 2.682 826 M HA 0.492 4.973 4.480 0.001 0.000 0.272 826 M C -1.533 174.780 176.300 0.022 0.000 1.232 826 M CA -0.805 54.508 55.300 0.022 0.000 0.849 826 M CB 2.286 34.885 32.600 -0.002 0.000 1.695 826 M HN 0.486 nan 8.290 nan 0.000 0.481 827 N N 1.158 119.864 118.700 0.011 0.000 2.287 827 N HA 0.688 5.429 4.740 0.001 0.000 0.289 827 N C -2.439 173.055 175.510 -0.027 0.000 1.066 827 N CA -0.301 52.757 53.050 0.014 0.000 0.841 827 N CB 2.935 41.438 38.487 0.026 0.000 1.599 827 N HN 0.673 nan 8.380 nan 0.000 0.476 828 V N 2.323 122.221 119.914 -0.027 0.000 2.735 828 V HA 0.450 4.570 4.120 0.001 0.000 0.310 828 V C -0.499 175.468 176.094 -0.212 0.000 1.061 828 V CA -0.706 61.494 62.300 -0.166 0.000 0.913 828 V CB 1.903 33.600 31.823 -0.210 0.000 1.005 828 V HN 0.620 nan 8.190 nan 0.000 0.428 829 Q N 3.062 122.644 119.800 -0.363 0.000 2.333 829 Q HA 0.656 4.996 4.340 0.001 0.000 0.268 829 Q C -1.647 174.106 176.000 -0.411 0.000 1.007 829 Q CA -0.264 55.386 55.803 -0.254 0.000 0.810 829 Q CB 2.390 31.048 28.738 -0.134 0.000 1.264 829 Q HN 0.633 nan 8.270 nan 0.000 0.452 830 F N 0.553 120.496 119.950 -0.011 0.000 2.594 830 F HA 0.830 5.358 4.527 0.001 0.000 0.335 830 F C -0.090 175.695 175.800 -0.024 0.000 1.058 830 F CA -0.992 57.013 58.000 0.008 0.000 0.981 830 F CB 1.718 40.721 39.000 0.004 0.000 1.289 830 F HN 0.493 nan 8.300 nan 0.000 0.490 831 A N 0.607 123.586 122.820 0.266 0.000 2.427 831 A HA 0.746 5.067 4.320 0.001 0.000 0.298 831 A C -1.944 175.759 177.584 0.197 0.000 1.036 831 A CA -0.629 51.486 52.037 0.129 0.000 0.701 831 A CB 1.374 20.385 19.000 0.019 0.000 1.250 831 A HN 0.473 nan 8.150 nan 0.000 0.412 832 V N 3.090 123.063 119.914 0.098 0.000 2.326 832 V HA 0.461 4.582 4.120 0.001 0.000 0.281 832 V C -0.014 176.124 176.094 0.072 0.000 1.015 832 V CA -0.428 61.934 62.300 0.103 0.000 0.823 832 V CB 1.148 32.980 31.823 0.016 0.000 1.009 832 V HN 0.805 nan 8.190 nan 0.000 0.436 833 K N 3.740 124.241 120.400 0.169 0.000 2.426 833 K HA 0.435 4.756 4.320 0.001 0.000 0.254 833 K C 0.092 176.776 176.600 0.141 0.000 0.936 833 K CA -0.595 55.742 56.287 0.084 0.000 0.801 833 K CB 0.992 33.455 32.500 -0.062 0.000 1.139 833 K HN 0.776 nan 8.250 nan 0.000 0.424 834 N N 3.473 122.206 118.700 0.055 0.000 2.738 834 N HA -0.266 4.475 4.740 0.001 0.000 0.249 834 N C -0.306 175.222 175.510 0.030 0.000 1.047 834 N CA 0.822 53.896 53.050 0.040 0.000 0.707 834 N CB -1.051 37.467 38.487 0.053 0.000 0.937 834 N HN 0.974 nan 8.380 nan 0.000 0.545 835 N N -1.223 117.483 118.700 0.010 0.000 2.778 835 N HA -0.225 4.516 4.740 0.001 0.000 0.249 835 N C -1.290 174.206 175.510 -0.022 0.000 1.069 835 N CA 1.259 54.299 53.050 -0.016 0.000 0.831 835 N CB -0.200 38.271 38.487 -0.027 0.000 1.142 835 N HN 0.559 nan 8.380 nan 0.000 0.573 836 E N 0.602 120.813 120.200 0.017 0.000 2.171 836 E HA 0.352 4.702 4.350 0.001 0.000 0.271 836 E C -0.468 176.101 176.600 -0.052 0.000 0.916 836 E CA -0.646 55.717 56.400 -0.061 0.000 0.774 836 E CB 2.377 32.029 29.700 -0.079 0.000 1.128 836 E HN -0.013 nan 8.360 nan 0.000 0.403 837 V N 4.249 124.057 119.914 -0.177 0.000 2.350 837 V HA 0.240 4.361 4.120 0.001 0.000 0.276 837 V C -0.772 175.259 176.094 -0.105 0.000 1.028 837 V CA -0.569 61.692 62.300 -0.066 0.000 0.860 837 V CB -0.257 31.491 31.823 -0.125 0.000 0.990 837 V HN 0.537 nan 8.190 nan 0.000 0.453 838 Y N 4.153 124.526 120.300 0.122 0.000 2.387 838 Y HA 0.584 5.135 4.550 0.001 0.000 0.336 838 Y C -0.010 176.012 175.900 0.203 0.000 1.067 838 Y CA -0.968 57.207 58.100 0.124 0.000 1.114 838 Y CB 1.696 40.186 38.460 0.050 0.000 1.208 838 Y HN 0.455 nan 8.280 nan 0.000 0.458 839 L N 3.863 125.249 121.223 0.272 0.000 2.305 839 L HA 0.342 4.682 4.340 0.001 0.000 0.281 839 L C 0.020 176.955 176.870 0.108 0.000 1.085 839 L CA 0.515 55.425 54.840 0.116 0.000 0.813 839 L CB 0.454 42.571 42.059 0.097 0.000 1.157 839 L HN 0.784 nan 8.230 nan 0.000 0.436 840 I N 2.308 122.876 120.570 -0.004 0.000 2.899 840 I HA 0.179 4.350 4.170 0.001 0.000 0.257 840 I C 0.184 176.299 176.117 -0.002 0.000 1.115 840 I CA 0.227 61.532 61.300 0.010 0.000 1.451 840 I CB 0.416 38.392 38.000 -0.040 0.000 1.251 840 I HN 0.768 nan 8.210 nan 0.000 0.456 841 E N -0.418 119.714 120.200 -0.113 0.000 2.409 841 E HA 0.407 4.757 4.350 0.001 0.000 0.280 841 E C -1.765 174.661 176.600 -0.289 0.000 1.079 841 E CA -0.720 55.535 56.400 -0.243 0.000 0.840 841 E CB 2.132 31.690 29.700 -0.238 0.000 1.309 841 E HN -0.201 nan 8.360 nan 0.000 0.447 842 V N 2.084 121.745 119.914 -0.421 0.000 2.540 842 V HA 0.476 4.596 4.120 0.001 0.000 0.302 842 V C -0.903 175.054 176.094 -0.228 0.000 1.035 842 V CA -0.924 61.214 62.300 -0.271 0.000 0.873 842 V CB 1.784 33.489 31.823 -0.197 0.000 0.992 842 V HN 0.645 nan 8.190 nan 0.000 0.428 843 N N 5.695 124.324 118.700 -0.119 0.000 2.696 843 N HA 0.301 5.042 4.740 0.001 0.000 0.246 843 N C -2.651 172.844 175.510 -0.025 0.000 1.057 843 N CA -1.255 51.755 53.050 -0.067 0.000 0.867 843 N CB 2.153 40.625 38.487 -0.024 0.000 1.141 843 N HN 0.366 nan 8.380 nan 0.000 0.517 844 P HA 0.004 nan 4.420 nan 0.000 0.262 844 P C -0.321 176.997 177.300 0.030 0.000 1.647 844 P CA 0.492 63.590 63.100 -0.003 0.000 0.865 844 P CB -0.172 31.522 31.700 -0.010 0.000 1.834 845 R N -1.860 118.672 120.500 0.053 0.000 2.826 845 R HA 0.744 5.085 4.340 0.001 0.000 0.269 845 R C -1.101 175.270 176.300 0.119 0.000 1.031 845 R CA -1.256 54.910 56.100 0.109 0.000 0.900 845 R CB 0.212 30.577 30.300 0.108 0.000 1.318 845 R HN -0.159 nan 8.270 nan 0.000 0.447 846 A N 0.700 123.614 122.820 0.157 0.000 2.454 846 A HA 0.609 4.930 4.320 0.001 0.000 0.260 846 A C 0.114 177.769 177.584 0.118 0.000 1.106 846 A CA 0.117 52.176 52.037 0.037 0.000 0.780 846 A CB 0.032 18.904 19.000 -0.213 0.000 1.044 846 A HN 0.745 nan 8.150 nan 0.000 0.498 847 A N 2.313 125.147 122.820 0.022 0.000 2.264 847 A HA 0.572 4.893 4.320 0.001 0.000 0.304 847 A C 1.303 178.746 177.584 -0.235 0.000 1.100 847 A CA -0.265 51.787 52.037 0.024 0.000 0.839 847 A CB 0.337 19.355 19.000 0.030 0.000 1.121 847 A HN 1.057 nan 8.150 nan 0.000 0.496 848 R N -0.528 119.798 120.500 -0.291 0.000 2.328 848 R HA -0.083 4.258 4.340 0.001 0.000 0.207 848 R C 0.800 176.928 176.300 -0.287 0.000 1.056 848 R CA 1.854 57.632 56.100 -0.537 0.000 1.016 848 R CB -0.851 29.208 30.300 -0.403 0.000 0.872 848 R HN 0.656 nan 8.270 nan 0.000 0.471 849 T N -2.166 112.305 114.554 -0.138 0.000 3.067 849 T HA 0.107 4.458 4.350 0.001 0.000 0.257 849 T C 1.887 176.585 174.700 -0.003 0.000 1.105 849 T CA 0.338 62.421 62.100 -0.028 0.000 1.104 849 T CB 0.011 68.914 68.868 0.058 0.000 0.925 849 T HN 0.019 nan 8.240 nan 0.000 0.498 850 V N 3.101 122.957 119.914 -0.096 0.000 2.278 850 V HA -0.148 3.973 4.120 0.001 0.000 0.251 850 V C -0.157 175.863 176.094 -0.122 0.000 1.062 850 V CA 2.161 64.406 62.300 -0.091 0.000 1.038 850 V CB -1.432 30.313 31.823 -0.131 0.000 0.646 850 V HN 0.418 nan 8.190 nan 0.000 0.447 851 P HA -0.168 nan 4.420 nan 0.000 0.217 851 P C 1.715 178.853 177.300 -0.271 0.000 1.150 851 P CA 1.450 64.210 63.100 -0.567 0.000 0.832 851 P CB -0.165 30.814 31.700 -1.203 0.000 0.787 852 F N 0.746 120.546 119.950 -0.251 0.000 2.075 852 F HA -0.208 4.319 4.527 0.001 0.000 0.297 852 F C 1.918 177.691 175.800 -0.045 0.000 1.113 852 F CA 1.452 59.375 58.000 -0.129 0.000 1.218 852 F CB -0.803 38.143 39.000 -0.091 0.000 0.984 852 F HN -0.324 nan 8.300 nan 0.000 0.472 853 V N -0.052 119.784 119.914 -0.129 0.000 2.407 853 V HA -0.294 3.826 4.120 0.001 0.000 0.248 853 V C 2.437 178.443 176.094 -0.147 0.000 1.055 853 V CA 2.046 64.232 62.300 -0.190 0.000 1.049 853 V CB -0.979 30.840 31.823 -0.006 0.000 0.662 853 V HN 0.405 nan 8.190 nan 0.000 0.455 854 S N -0.543 115.113 115.700 -0.073 0.000 2.368 854 S HA -0.228 4.243 4.470 0.001 0.000 0.225 854 S C 2.049 176.673 174.600 0.039 0.000 1.030 854 S CA 1.610 59.815 58.200 0.009 0.000 0.999 854 S CB -0.259 63.008 63.200 0.113 0.000 0.844 854 S HN 0.449 nan 8.310 nan 0.000 0.459 855 K N 1.591 121.994 120.400 0.004 0.000 2.103 855 K HA 0.216 4.537 4.320 0.001 0.000 0.204 855 K C 2.126 178.806 176.600 0.134 0.000 1.052 855 K CA 1.002 57.338 56.287 0.082 0.000 0.945 855 K CB -0.594 31.878 32.500 -0.046 0.000 0.722 855 K HN 0.277 nan 8.250 nan 0.000 0.443 856 A N 0.053 122.811 122.820 -0.103 0.000 1.845 856 A HA -0.175 4.146 4.320 0.001 0.000 0.215 856 A C 2.235 179.888 177.584 0.115 0.000 1.195 856 A CA 2.503 54.516 52.037 -0.041 0.000 0.616 856 A CB -1.314 17.477 19.000 -0.347 0.000 0.832 856 A HN 0.484 nan 8.150 nan 0.000 0.443 857 T N -4.342 110.195 114.554 -0.028 0.000 3.067 857 T HA 0.358 4.709 4.350 0.001 0.000 0.261 857 T C 1.525 176.115 174.700 -0.184 0.000 1.110 857 T CA 1.211 63.263 62.100 -0.080 0.000 1.113 857 T CB -0.064 68.747 68.868 -0.094 0.000 0.917 857 T HN 1.834 nan 8.240 nan 0.000 0.499 858 G N 0.617 109.248 108.800 -0.282 0.000 2.184 858 G HA2 -0.239 3.722 3.960 0.001 0.000 0.264 858 G HA3 -0.239 3.722 3.960 0.001 0.000 0.264 858 G C 0.073 174.749 174.900 -0.374 0.000 0.975 858 G CA 0.103 44.635 45.100 -0.948 0.000 0.642 858 G HN 0.785 nan 8.290 nan 0.000 0.536 859 V N 1.931 121.745 119.914 -0.166 0.000 2.432 859 V HA 0.476 4.597 4.120 0.001 0.000 0.275 859 V C -1.682 174.419 176.094 0.013 0.000 1.043 859 V CA -1.471 60.786 62.300 -0.072 0.000 0.925 859 V CB 1.691 33.488 31.823 -0.044 0.000 0.985 859 V HN 0.124 nan 8.190 nan 0.000 0.466 860 P HA 0.264 nan 4.420 nan 0.000 0.231 860 P C 1.123 178.512 177.300 0.148 0.000 1.811 860 P CA -0.164 63.027 63.100 0.153 0.000 1.051 860 P CB 0.420 32.178 31.700 0.096 0.000 1.951 861 L N 1.260 122.554 121.223 0.119 0.000 2.034 861 L HA -0.307 4.034 4.340 0.001 0.000 0.217 861 L C 2.384 179.329 176.870 0.124 0.000 1.077 861 L CA 2.290 57.185 54.840 0.091 0.000 0.769 861 L CB -1.093 40.997 42.059 0.052 0.000 0.890 861 L HN 0.200 nan 8.230 nan 0.000 0.435 862 A N -0.315 122.594 122.820 0.148 0.000 1.933 862 A HA -0.203 4.117 4.320 0.001 0.000 0.218 862 A C 2.314 180.090 177.584 0.320 0.000 1.175 862 A CA 1.643 53.778 52.037 0.163 0.000 0.628 862 A CB -0.287 18.730 19.000 0.028 0.000 0.814 862 A HN 0.376 nan 8.150 nan 0.000 0.444 863 K N -0.426 120.119 120.400 0.242 0.000 2.001 863 K HA -0.047 4.274 4.320 0.001 0.000 0.208 863 K C 1.929 178.598 176.600 0.114 0.000 1.048 863 K CA 1.395 57.766 56.287 0.139 0.000 0.932 863 K CB -0.443 32.072 32.500 0.024 0.000 0.715 863 K HN 0.307 nan 8.250 nan 0.000 0.437 864 V N 1.732 121.708 119.914 0.103 0.000 2.255 864 V HA -0.274 3.847 4.120 0.001 0.000 0.247 864 V C 2.420 178.570 176.094 0.094 0.000 1.051 864 V CA 2.172 64.519 62.300 0.080 0.000 1.018 864 V CB -0.873 30.987 31.823 0.061 0.000 0.641 864 V HN 0.368 nan 8.190 nan 0.000 0.445 865 A N -0.167 122.737 122.820 0.141 0.000 2.019 865 A HA -0.034 4.287 4.320 0.001 0.000 0.219 865 A C 2.376 180.028 177.584 0.113 0.000 1.164 865 A CA 1.904 54.033 52.037 0.154 0.000 0.644 865 A CB -0.640 18.502 19.000 0.237 0.000 0.805 865 A HN 0.591 nan 8.150 nan 0.000 0.449 866 A N 0.018 122.918 122.820 0.132 0.000 1.898 866 A HA -0.121 4.200 4.320 0.001 0.000 0.216 866 A C 2.235 179.801 177.584 -0.031 0.000 1.181 866 A CA 1.375 53.409 52.037 -0.005 0.000 0.620 866 A CB -0.398 18.628 19.000 0.042 0.000 0.819 866 A HN 0.548 nan 8.150 nan 0.000 0.442 867 R N -0.693 119.822 120.500 0.025 0.000 2.092 867 R HA -0.049 4.291 4.340 0.001 0.000 0.231 867 R C 2.003 178.317 176.300 0.024 0.000 1.119 867 R CA 1.288 57.409 56.100 0.034 0.000 0.970 867 R CB -0.561 29.774 30.300 0.057 0.000 0.864 867 R HN 0.367 nan 8.270 nan 0.000 0.440 868 V N 1.598 121.527 119.914 0.025 0.000 2.287 868 V HA -0.287 3.834 4.120 0.001 0.000 0.248 868 V C 2.303 178.394 176.094 -0.005 0.000 1.053 868 V CA 1.902 64.214 62.300 0.020 0.000 1.027 868 V CB -0.364 31.476 31.823 0.029 0.000 0.646 868 V HN 0.342 nan 8.190 nan 0.000 0.447 869 M N -0.001 119.578 119.600 -0.036 0.000 2.229 869 M HA -0.071 4.409 4.480 0.001 0.000 0.264 869 M C 2.017 178.263 176.300 -0.089 0.000 1.063 869 M CA 1.866 57.123 55.300 -0.072 0.000 1.114 869 M CB -0.494 32.031 32.600 -0.126 0.000 1.387 869 M HN 0.347 nan 8.290 nan 0.000 0.420 870 A N -0.079 122.678 122.820 -0.105 0.000 2.238 870 A HA 0.426 4.747 4.320 0.001 0.000 0.208 870 A C 1.637 179.217 177.584 -0.006 0.000 1.177 870 A CA 0.795 52.745 52.037 -0.143 0.000 0.804 870 A CB -0.582 18.230 19.000 -0.314 0.000 0.823 870 A HN 0.662 nan 8.150 nan 0.000 0.482 871 G N -1.065 107.745 108.800 0.016 0.000 2.192 871 G HA2 -0.181 3.780 3.960 0.001 0.000 0.193 871 G HA3 -0.181 3.780 3.960 0.001 0.000 0.193 871 G C 0.163 175.095 174.900 0.053 0.000 0.999 871 G CA 0.140 45.267 45.100 0.045 0.000 0.659 871 G HN 0.541 nan 8.290 nan 0.000 0.503 872 K N 2.107 122.540 120.400 0.056 0.000 2.334 872 K HA 0.562 4.882 4.320 0.001 0.000 0.265 872 K C 1.102 177.727 176.600 0.042 0.000 1.039 872 K CA 0.207 56.525 56.287 0.051 0.000 0.920 872 K CB 0.670 33.206 32.500 0.060 0.000 1.160 872 K HN 0.447 nan 8.250 nan 0.000 0.451 873 S N 3.392 119.115 115.700 0.039 0.000 2.560 873 S HA -0.033 4.437 4.470 0.001 0.000 0.276 873 S C 1.430 176.052 174.600 0.037 0.000 1.350 873 S CA -0.316 57.908 58.200 0.039 0.000 1.024 873 S CB 0.464 63.688 63.200 0.040 0.000 0.864 873 S HN 0.675 nan 8.310 nan 0.000 0.536 874 L N 2.022 123.268 121.223 0.039 0.000 2.042 874 L HA -0.131 4.210 4.340 0.001 0.000 0.210 874 L C 3.091 179.980 176.870 0.031 0.000 1.076 874 L CA 1.740 56.602 54.840 0.035 0.000 0.749 874 L CB -1.223 40.859 42.059 0.038 0.000 0.893 874 L HN 0.970 nan 8.230 nan 0.000 0.432 875 A N -0.038 122.801 122.820 0.033 0.000 1.873 875 A HA -0.292 4.029 4.320 0.001 0.000 0.218 875 A C 2.160 179.757 177.584 0.022 0.000 1.193 875 A CA 2.139 54.193 52.037 0.027 0.000 0.629 875 A CB -0.614 18.403 19.000 0.028 0.000 0.826 875 A HN 0.467 nan 8.150 nan 0.000 0.447 876 E N -0.483 119.731 120.200 0.024 0.000 2.118 876 E HA -0.222 4.129 4.350 0.001 0.000 0.195 876 E C 2.137 178.749 176.600 0.020 0.000 0.992 876 E CA 1.476 57.889 56.400 0.022 0.000 0.804 876 E CB -0.142 29.574 29.700 0.026 0.000 0.741 876 E HN 0.801 nan 8.360 nan 0.000 0.458 877 Q N -0.919 118.894 119.800 0.023 0.000 2.425 877 Q HA 0.101 4.442 4.340 0.001 0.000 0.204 877 Q C 0.923 176.931 176.000 0.014 0.000 0.933 877 Q CA 0.455 56.270 55.803 0.020 0.000 0.939 877 Q CB 0.773 29.526 28.738 0.024 0.000 1.044 877 Q HN 0.309 nan 8.270 nan 0.000 0.513 878 G N 1.150 109.958 108.800 0.013 0.000 2.225 878 G HA2 -0.224 3.737 3.960 0.001 0.000 0.264 878 G HA3 -0.224 3.737 3.960 0.001 0.000 0.264 878 G C -0.129 174.775 174.900 0.006 0.000 1.060 878 G CA 0.148 45.253 45.100 0.008 0.000 0.833 878 G HN 0.222 nan 8.290 nan 0.000 0.498 879 V N 0.777 120.697 119.914 0.011 0.000 2.383 879 V HA 0.528 4.649 4.120 0.001 0.000 0.264 879 V C 0.932 177.034 176.094 0.013 0.000 1.001 879 V CA 0.345 62.650 62.300 0.008 0.000 0.828 879 V CB 0.654 32.483 31.823 0.010 0.000 1.069 879 V HN 0.676 nan 8.190 nan 0.000 0.451 880 T N -1.219 113.342 114.554 0.011 0.000 2.964 880 T HA 0.256 4.607 4.350 0.001 0.000 0.249 880 T C 0.603 175.311 174.700 0.013 0.000 1.000 880 T CA -0.205 61.905 62.100 0.017 0.000 0.992 880 T CB 0.500 69.379 68.868 0.018 0.000 1.087 880 T HN 0.346 nan 8.240 nan 0.000 0.489 881 K N 2.868 123.270 120.400 0.003 0.000 2.183 881 K HA 0.379 4.700 4.320 0.001 0.000 0.274 881 K C -0.185 176.409 176.600 -0.009 0.000 1.009 881 K CA -0.339 55.946 56.287 -0.002 0.000 0.888 881 K CB 2.166 34.662 32.500 -0.008 0.000 1.078 881 K HN 0.522 nan 8.250 nan 0.000 0.459 882 E N 2.579 122.774 120.200 -0.008 0.000 2.384 882 E HA 0.063 4.413 4.350 0.001 0.000 0.266 882 E C -0.792 175.789 176.600 -0.032 0.000 1.012 882 E CA -0.392 55.999 56.400 -0.015 0.000 0.901 882 E CB 0.817 30.512 29.700 -0.007 0.000 0.967 882 E HN 0.154 nan 8.360 nan 0.000 0.435 883 V N 5.718 125.606 119.914 -0.043 0.000 2.567 883 V HA 0.262 4.383 4.120 0.001 0.000 0.289 883 V C 0.071 176.117 176.094 -0.081 0.000 1.049 883 V CA -0.530 61.730 62.300 -0.067 0.000 0.969 883 V CB 1.379 33.152 31.823 -0.082 0.000 0.995 883 V HN 0.603 nan 8.190 nan 0.000 0.471 884 I N 5.564 126.071 120.570 -0.106 0.000 2.497 884 I HA 0.414 4.584 4.170 0.001 0.000 0.284 884 I C -2.516 173.478 176.117 -0.205 0.000 1.060 884 I CA -2.259 58.958 61.300 -0.137 0.000 1.071 884 I CB 1.636 39.570 38.000 -0.109 0.000 1.216 884 I HN 0.448 nan 8.210 nan 0.000 0.442 885 P HA 0.377 nan 4.420 nan 0.000 0.277 885 P C -2.088 174.898 177.300 -0.522 0.000 1.240 885 P CA -1.329 61.460 63.100 -0.518 0.000 0.798 885 P CB 0.215 31.402 31.700 -0.854 0.000 0.979 886 P HA 0.030 nan 4.420 nan 0.000 0.245 886 P C -0.537 176.626 177.300 -0.229 0.000 1.212 886 P CA 0.716 63.645 63.100 -0.284 0.000 0.774 886 P CB -0.239 31.387 31.700 -0.123 0.000 0.999 887 Y N -3.451 116.806 120.300 -0.072 0.000 2.634 887 Y HA 0.647 5.198 4.550 0.001 0.000 0.340 887 Y C -0.645 175.201 175.900 -0.090 0.000 1.058 887 Y CA -2.167 55.913 58.100 -0.035 0.000 1.081 887 Y CB 0.306 38.784 38.460 0.030 0.000 1.295 887 Y HN -0.362 nan 8.280 nan 0.000 0.487 888 Y N 0.809 121.328 120.300 0.365 0.000 2.308 888 Y HA 0.540 5.090 4.550 0.001 0.000 0.329 888 Y C -0.093 175.998 175.900 0.317 0.000 1.111 888 Y CA -0.058 58.219 58.100 0.296 0.000 1.179 888 Y CB 1.878 40.491 38.460 0.254 0.000 1.201 888 Y HN 0.609 nan 8.280 nan 0.000 0.483 889 S N 2.639 118.619 115.700 0.466 0.000 2.552 889 S HA 0.604 5.075 4.470 0.001 0.000 0.314 889 S C -1.037 173.863 174.600 0.500 0.000 1.099 889 S CA -0.713 57.712 58.200 0.376 0.000 1.070 889 S CB 1.124 64.434 63.200 0.184 0.000 0.998 889 S HN 0.333 nan 8.310 nan 0.000 0.474 890 V N 4.332 124.455 119.914 0.347 0.000 2.495 890 V HA 0.503 4.623 4.120 0.001 0.000 0.298 890 V C -0.023 176.117 176.094 0.077 0.000 1.031 890 V CA -0.738 61.686 62.300 0.206 0.000 0.871 890 V CB 1.801 33.622 31.823 -0.002 0.000 0.988 890 V HN 0.695 nan 8.190 nan 0.000 0.432 891 K N 3.641 123.928 120.400 -0.188 0.000 2.206 891 K HA 0.627 4.947 4.320 0.001 0.000 0.264 891 K C -0.946 175.486 176.600 -0.281 0.000 0.967 891 K CA -0.401 55.637 56.287 -0.415 0.000 0.844 891 K CB 1.954 33.826 32.500 -1.047 0.000 1.099 891 K HN 0.767 nan 8.250 nan 0.000 0.441 892 E N 2.532 122.587 120.200 -0.241 0.000 2.336 892 E HA 0.387 4.738 4.350 0.001 0.000 0.267 892 E C -1.410 175.096 176.600 -0.158 0.000 0.906 892 E CA -0.877 55.400 56.400 -0.206 0.000 0.781 892 E CB 1.769 31.303 29.700 -0.275 0.000 1.261 892 E HN 0.360 nan 8.360 nan 0.000 0.436 893 V N 0.550 120.395 119.914 -0.115 0.000 3.096 893 V HA 0.883 5.003 4.120 0.001 0.000 0.319 893 V C -0.426 175.628 176.094 -0.068 0.000 1.103 893 V CA -0.560 61.686 62.300 -0.090 0.000 1.016 893 V CB 1.571 33.349 31.823 -0.074 0.000 1.090 893 V HN 0.665 nan 8.190 nan 0.000 0.449 894 V N 1.005 120.881 119.914 -0.064 0.000 2.540 894 V HA 0.775 4.896 4.120 0.001 0.000 0.302 894 V C -0.663 175.382 176.094 -0.083 0.000 1.035 894 V CA -0.590 61.677 62.300 -0.056 0.000 0.873 894 V CB 0.981 32.775 31.823 -0.047 0.000 0.992 894 V HN 0.883 nan 8.190 nan 0.000 0.428 895 L N 5.983 127.143 121.223 -0.104 0.000 2.331 895 L HA 0.661 5.001 4.340 0.001 0.000 0.275 895 L C -1.632 175.085 176.870 -0.255 0.000 1.022 895 L CA -1.458 53.225 54.840 -0.261 0.000 0.812 895 L CB 2.549 44.333 42.059 -0.459 0.000 1.257 895 L HN 0.475 nan 8.230 nan 0.000 0.435 896 P HA 0.080 nan 4.420 nan 0.000 0.257 896 P C 1.100 178.281 177.300 -0.198 0.000 1.325 896 P CA 0.087 63.044 63.100 -0.239 0.000 0.850 896 P CB 0.097 31.696 31.700 -0.167 0.000 1.324 897 F N 2.686 122.664 119.950 0.047 0.000 2.154 897 F HA -0.213 4.314 4.527 0.001 0.000 0.301 897 F C 2.186 177.968 175.800 -0.030 0.000 1.087 897 F CA 1.490 59.540 58.000 0.083 0.000 1.274 897 F CB -1.779 37.303 39.000 0.137 0.000 1.009 897 F HN 0.126 nan 8.300 nan 0.000 0.485 898 N N 0.485 119.232 118.700 0.078 0.000 2.443 898 N HA -0.183 4.558 4.740 0.001 0.000 0.184 898 N C 1.243 176.645 175.510 -0.180 0.000 1.037 898 N CA 1.024 54.057 53.050 -0.027 0.000 0.896 898 N CB -0.438 38.032 38.487 -0.029 0.000 0.959 898 N HN 0.167 nan 8.380 nan 0.000 0.442 899 K N -0.130 120.027 120.400 -0.405 0.000 2.305 899 K HA 0.095 4.416 4.320 0.001 0.000 0.199 899 K C -0.293 175.767 176.600 -0.901 0.000 1.047 899 K CA 0.284 56.104 56.287 -0.778 0.000 0.976 899 K CB 0.013 31.719 32.500 -1.323 0.000 0.765 899 K HN 0.283 nan 8.250 nan 0.000 0.474 900 F N 0.482 120.395 119.950 -0.063 0.000 2.769 900 F HA 0.299 4.827 4.527 0.001 0.000 0.358 900 F C -1.878 173.947 175.800 0.042 0.000 1.285 900 F CA -2.536 55.455 58.000 -0.014 0.000 1.199 900 F CB 1.401 40.357 39.000 -0.073 0.000 1.558 900 F HN -0.177 nan 8.300 nan 0.000 0.583 901 P HA -0.159 nan 4.420 nan 0.000 0.216 901 P C 1.938 179.293 177.300 0.092 0.000 1.153 901 P CA 1.669 64.817 63.100 0.081 0.000 0.858 901 P CB 0.216 31.930 31.700 0.023 0.000 0.789 902 G N -0.766 108.104 108.800 0.117 0.000 2.564 902 G HA2 -0.078 3.883 3.960 0.001 0.000 0.216 902 G HA3 -0.078 3.883 3.960 0.001 0.000 0.216 902 G C 0.474 175.435 174.900 0.102 0.000 1.124 902 G CA 0.239 45.394 45.100 0.092 0.000 0.764 902 G HN 0.222 nan 8.290 nan 0.000 0.550 903 V N 0.365 120.373 119.914 0.158 0.000 2.617 903 V HA 0.244 4.364 4.120 0.001 0.000 0.298 903 V C -0.343 175.779 176.094 0.046 0.000 1.048 903 V CA -1.156 61.240 62.300 0.160 0.000 0.964 903 V CB 1.930 33.953 31.823 0.333 0.000 1.004 903 V HN 0.085 nan 8.190 nan 0.000 0.466 904 D N 4.986 125.375 120.400 -0.019 0.000 2.339 904 D HA 0.223 4.863 4.640 0.001 0.000 0.256 904 D C -2.180 173.897 176.300 -0.371 0.000 1.214 904 D CA -1.961 51.957 54.000 -0.138 0.000 0.877 904 D CB 1.550 42.295 40.800 -0.090 0.000 1.111 904 D HN 0.252 nan 8.370 nan 0.000 0.478 905 P HA 0.150 nan 4.420 nan 0.000 0.225 905 P C -0.595 176.266 177.300 -0.732 0.000 1.768 905 P CA -0.198 62.132 63.100 -1.284 0.000 0.943 905 P CB -0.577 30.792 31.700 -0.552 0.000 1.936 906 L N -0.720 120.196 121.223 -0.512 0.000 2.346 906 L HA 0.543 4.884 4.340 0.001 0.000 0.274 906 L C -0.739 176.168 176.870 0.061 0.000 1.007 906 L CA -1.189 53.580 54.840 -0.118 0.000 0.818 906 L CB 1.465 43.488 42.059 -0.061 0.000 1.284 906 L HN -0.182 nan 8.230 nan 0.000 0.424 907 L N 3.609 124.908 121.223 0.127 0.000 2.453 907 L HA 0.852 5.192 4.340 0.001 0.000 0.261 907 L C 0.753 177.696 176.870 0.122 0.000 1.179 907 L CA 0.077 55.021 54.840 0.173 0.000 0.813 907 L CB 0.856 43.011 42.059 0.160 0.000 1.110 907 L HN 0.963 nan 8.230 nan 0.000 0.466 908 G N 0.245 109.121 108.800 0.127 0.000 2.561 908 G HA2 0.347 4.307 3.960 0.001 0.000 0.310 908 G HA3 0.347 4.307 3.960 0.001 0.000 0.310 908 G C -2.683 172.281 174.900 0.107 0.000 1.292 908 G CA -0.346 44.805 45.100 0.085 0.000 0.811 908 G HN 0.324 nan 8.290 nan 0.000 0.482 909 P HA 0.068 nan 4.420 nan 0.000 0.242 909 P C 0.217 177.622 177.300 0.175 0.000 1.197 909 P CA 0.773 63.942 63.100 0.116 0.000 0.765 909 P CB 0.400 32.124 31.700 0.039 0.000 0.936 910 E N 0.268 120.519 120.200 0.086 0.000 2.175 910 E HA 0.339 4.690 4.350 0.001 0.000 0.278 910 E C -0.384 176.157 176.600 -0.098 0.000 0.969 910 E CA -0.992 55.398 56.400 -0.017 0.000 0.796 910 E CB 0.817 30.480 29.700 -0.060 0.000 1.104 910 E HN -0.115 nan 8.360 nan 0.000 0.395 911 M N 4.814 124.181 119.600 -0.387 0.000 2.188 911 M HA 0.214 4.694 4.480 0.001 0.000 0.354 911 M C -0.175 175.997 176.300 -0.213 0.000 1.342 911 M CA 0.254 55.328 55.300 -0.377 0.000 1.117 911 M CB 0.435 32.601 32.600 -0.722 0.000 1.670 911 M HN 0.551 nan 8.290 nan 0.000 0.466 912 R N 1.570 122.005 120.500 -0.108 0.000 2.521 912 R HA 0.191 4.532 4.340 0.001 0.000 0.289 912 R C 0.097 176.370 176.300 -0.044 0.000 0.936 912 R CA 0.128 56.184 56.100 -0.072 0.000 1.089 912 R CB 0.695 30.989 30.300 -0.011 0.000 1.348 912 R HN 0.841 nan 8.270 nan 0.000 0.536 913 S N -0.745 114.912 115.700 -0.071 0.000 2.585 913 S HA 0.079 4.550 4.470 0.001 0.000 0.273 913 S C 1.205 175.781 174.600 -0.039 0.000 1.339 913 S CA 0.089 58.243 58.200 -0.076 0.000 1.028 913 S CB 1.547 64.706 63.200 -0.068 0.000 0.906 913 S HN 0.277 nan 8.310 nan 0.000 0.528 914 T N -1.262 113.266 114.554 -0.044 0.000 3.023 914 T HA 0.495 4.845 4.350 0.001 0.000 0.249 914 T C 0.842 175.525 174.700 -0.027 0.000 1.050 914 T CA 0.279 62.364 62.100 -0.024 0.000 1.088 914 T CB -0.256 68.595 68.868 -0.029 0.000 0.946 914 T HN 1.083 nan 8.240 nan 0.000 0.480 915 G N 0.529 109.305 108.800 -0.041 0.000 2.749 915 G HA2 0.640 4.601 3.960 0.001 0.000 0.300 915 G HA3 0.640 4.601 3.960 0.001 0.000 0.300 915 G C -2.045 172.818 174.900 -0.061 0.000 1.352 915 G CA -0.884 44.191 45.100 -0.042 0.000 0.789 915 G HN 0.551 nan 8.290 nan 0.000 0.509 916 E N -2.202 117.959 120.200 -0.065 0.000 2.430 916 E HA 0.657 5.008 4.350 0.001 0.000 0.279 916 E C -1.127 175.430 176.600 -0.071 0.000 1.003 916 E CA -1.084 55.264 56.400 -0.087 0.000 0.801 916 E CB 2.172 31.800 29.700 -0.119 0.000 1.313 916 E HN 1.127 nan 8.360 nan 0.000 0.459 917 V N -1.847 118.016 119.914 -0.086 0.000 3.141 917 V HA 0.777 4.897 4.120 0.001 0.000 0.312 917 V C -0.704 175.363 176.094 -0.045 0.000 1.157 917 V CA -1.063 61.200 62.300 -0.062 0.000 1.041 917 V CB 1.909 33.689 31.823 -0.072 0.000 1.071 917 V HN 0.913 nan 8.190 nan 0.000 0.441 918 M N 1.710 121.311 119.600 0.001 0.000 2.464 918 M HA 0.846 5.326 4.480 0.001 0.000 0.308 918 M C -0.368 175.939 176.300 0.011 0.000 1.127 918 M CA -0.232 55.112 55.300 0.074 0.000 0.913 918 M CB 2.071 34.768 32.600 0.162 0.000 1.689 918 M HN 1.201 nan 8.290 nan 0.000 0.445 919 G N 2.901 111.710 108.800 0.015 0.000 2.513 919 G HA2 0.648 4.608 3.960 0.001 0.000 0.317 919 G HA3 0.648 4.608 3.960 0.001 0.000 0.317 919 G C -1.760 173.146 174.900 0.010 0.000 1.277 919 G CA -0.478 44.599 45.100 -0.038 0.000 0.955 919 G HN 0.595 nan 8.290 nan 0.000 0.484 920 V N 1.165 121.059 119.914 -0.033 0.000 2.417 920 V HA 0.919 5.040 4.120 0.001 0.000 0.291 920 V C 0.625 176.705 176.094 -0.023 0.000 1.024 920 V CA -0.062 62.203 62.300 -0.058 0.000 0.861 920 V CB 1.244 32.934 31.823 -0.221 0.000 0.985 920 V HN 1.125 nan 8.190 nan 0.000 0.436 921 G N 3.283 112.130 108.800 0.078 0.000 2.692 921 G HA2 0.501 4.462 3.960 0.001 0.000 0.291 921 G HA3 0.501 4.462 3.960 0.001 0.000 0.291 921 G C -0.154 174.885 174.900 0.230 0.000 1.423 921 G CA -0.793 44.371 45.100 0.106 0.000 0.843 921 G HN 0.537 nan 8.290 nan 0.000 0.486 922 R N -0.924 119.685 120.500 0.183 0.000 2.276 922 R HA 0.152 4.492 4.340 0.001 0.000 0.203 922 R C 0.843 177.316 176.300 0.289 0.000 1.017 922 R CA 1.274 57.502 56.100 0.214 0.000 1.010 922 R CB 0.092 30.472 30.300 0.133 0.000 0.900 922 R HN 0.636 nan 8.270 nan 0.000 0.469 923 T N -4.423 110.290 114.554 0.264 0.000 2.894 923 T HA 0.169 4.520 4.350 0.001 0.000 0.309 923 T C 0.306 175.030 174.700 0.039 0.000 1.208 923 T CA -0.927 61.304 62.100 0.218 0.000 1.016 923 T CB 1.261 70.203 68.868 0.123 0.000 1.192 923 T HN 0.026 nan 8.240 nan 0.000 0.491 924 F N 2.254 121.890 119.950 -0.524 0.000 2.120 924 F HA 0.006 4.533 4.527 0.001 0.000 0.300 924 F C 2.425 178.113 175.800 -0.187 0.000 1.095 924 F CA 2.176 59.807 58.000 -0.614 0.000 1.249 924 F CB -0.674 37.845 39.000 -0.801 0.000 0.995 924 F HN 0.803 nan 8.300 nan 0.000 0.480 925 A N -0.137 122.609 122.820 -0.124 0.000 1.933 925 A HA -0.236 4.085 4.320 0.001 0.000 0.218 925 A C 2.271 179.769 177.584 -0.142 0.000 1.175 925 A CA 1.804 53.752 52.037 -0.148 0.000 0.628 925 A CB -0.997 18.012 19.000 0.015 0.000 0.814 925 A HN 0.617 nan 8.150 nan 0.000 0.444 926 E N -0.245 119.905 120.200 -0.083 0.000 2.072 926 E HA -0.079 4.271 4.350 0.001 0.000 0.191 926 E C 2.206 178.750 176.600 -0.093 0.000 0.985 926 E CA 0.842 57.206 56.400 -0.060 0.000 0.801 926 E CB -0.226 29.469 29.700 -0.009 0.000 0.750 926 E HN 0.535 nan 8.360 nan 0.000 0.452 927 A N 0.899 123.659 122.820 -0.101 0.000 1.865 927 A HA -0.218 4.103 4.320 0.001 0.000 0.217 927 A C 2.026 179.489 177.584 -0.201 0.000 1.191 927 A CA 1.499 53.480 52.037 -0.093 0.000 0.623 927 A CB -1.101 17.897 19.000 -0.003 0.000 0.826 927 A HN 0.482 nan 8.150 nan 0.000 0.444 928 F N 0.734 120.373 119.950 -0.519 0.000 2.126 928 F HA -0.141 4.386 4.527 0.001 0.000 0.299 928 F C 2.577 178.186 175.800 -0.317 0.000 1.096 928 F CA 1.371 59.050 58.000 -0.534 0.000 1.255 928 F CB -0.259 38.200 39.000 -0.902 0.000 0.997 928 F HN 0.261 nan 8.300 nan 0.000 0.479 929 A N -0.129 122.618 122.820 -0.121 0.000 1.902 929 A HA -0.207 4.113 4.320 0.001 0.000 0.217 929 A C 2.203 179.665 177.584 -0.204 0.000 1.181 929 A CA 1.864 53.823 52.037 -0.130 0.000 0.623 929 A CB -0.625 18.324 19.000 -0.086 0.000 0.818 929 A HN 0.425 nan 8.150 nan 0.000 0.443 930 K N -0.320 119.968 120.400 -0.185 0.000 2.057 930 K HA -0.011 4.309 4.320 0.001 0.000 0.206 930 K C 2.309 178.787 176.600 -0.203 0.000 1.050 930 K CA 1.079 57.266 56.287 -0.166 0.000 0.935 930 K CB -0.307 32.121 32.500 -0.120 0.000 0.715 930 K HN 0.437 nan 8.250 nan 0.000 0.439 931 A N 1.241 123.892 122.820 -0.282 0.000 1.877 931 A HA -0.264 4.057 4.320 0.001 0.000 0.216 931 A C 2.154 179.520 177.584 -0.363 0.000 1.186 931 A CA 1.584 53.430 52.037 -0.317 0.000 0.620 931 A CB -0.600 18.163 19.000 -0.395 0.000 0.822 931 A HN 0.362 nan 8.150 nan 0.000 0.443 932 Q N -0.908 118.584 119.800 -0.514 0.000 2.061 932 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 932 Q C 2.016 177.884 176.000 -0.219 0.000 0.984 932 Q CA 1.886 57.447 55.803 -0.404 0.000 0.846 932 Q CB -0.260 28.215 28.738 -0.439 0.000 0.902 932 Q HN 0.571 nan 8.270 nan 0.000 0.421 933 L N 0.123 121.229 121.223 -0.194 0.000 2.141 933 L HA 0.002 4.343 4.340 0.001 0.000 0.209 933 L C 2.045 178.867 176.870 -0.080 0.000 1.094 933 L CA 2.231 56.998 54.840 -0.123 0.000 0.763 933 L CB -0.794 41.180 42.059 -0.141 0.000 0.908 933 L HN 0.262 nan 8.230 nan 0.000 0.437 934 G N -1.229 107.506 108.800 -0.109 0.000 2.408 934 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 934 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 934 G C 1.471 176.332 174.900 -0.065 0.000 1.150 934 G CA 0.766 45.821 45.100 -0.075 0.000 0.776 934 G HN 0.579 nan 8.290 nan 0.000 0.542 935 S N -0.219 115.426 115.700 -0.092 0.000 2.720 935 S HA 0.020 4.491 4.470 0.001 0.000 0.222 935 S C 1.070 175.654 174.600 -0.026 0.000 0.958 935 S CA 0.752 58.910 58.200 -0.069 0.000 0.943 935 S CB -0.745 62.396 63.200 -0.098 0.000 0.779 935 S HN 0.590 nan 8.310 nan 0.000 0.526 936 N N 0.251 118.944 118.700 -0.012 0.000 2.782 936 N HA -0.204 4.537 4.740 0.001 0.000 0.251 936 N C -0.142 175.396 175.510 0.046 0.000 1.101 936 N CA 0.574 53.637 53.050 0.022 0.000 0.764 936 N CB -1.577 36.923 38.487 0.021 0.000 1.122 936 N HN 0.615 nan 8.380 nan 0.000 0.561 937 S N -0.396 115.323 115.700 0.032 0.000 2.579 937 S HA 0.185 4.656 4.470 0.001 0.000 0.275 937 S C 1.423 176.078 174.600 0.091 0.000 1.345 937 S CA 0.790 59.045 58.200 0.091 0.000 1.031 937 S CB 1.122 64.329 63.200 0.013 0.000 0.892 937 S HN 0.325 nan 8.310 nan 0.000 0.529 938 T N 2.263 116.920 114.554 0.172 0.000 3.214 938 T HA 0.291 4.642 4.350 0.001 0.000 0.264 938 T C 0.369 175.153 174.700 0.141 0.000 1.012 938 T CA -0.533 61.658 62.100 0.151 0.000 0.901 938 T CB -0.328 68.648 68.868 0.180 0.000 1.070 938 T HN 0.522 nan 8.240 nan 0.000 0.561 939 M N 2.995 122.619 119.600 0.039 0.000 2.250 939 M HA 0.272 4.752 4.480 0.001 0.000 0.337 939 M C -0.234 176.069 176.300 0.005 0.000 1.161 939 M CA 0.113 55.399 55.300 -0.023 0.000 1.088 939 M CB 0.194 32.604 32.600 -0.317 0.000 1.639 939 M HN 0.023 nan 8.290 nan 0.000 0.447 940 K N 3.854 124.274 120.400 0.034 0.000 2.295 940 K HA 0.365 4.685 4.320 0.001 0.000 0.239 940 K C -0.237 176.380 176.600 0.029 0.000 0.991 940 K CA -0.710 55.559 56.287 -0.030 0.000 0.845 940 K CB 1.315 33.666 32.500 -0.249 0.000 1.197 940 K HN 0.608 nan 8.250 nan 0.000 0.441 941 K N 1.146 121.560 120.400 0.024 0.000 2.410 941 K HA 0.040 4.361 4.320 0.001 0.000 0.200 941 K C 0.504 177.052 176.600 -0.087 0.000 1.023 941 K CA 0.188 56.526 56.287 0.085 0.000 1.149 941 K CB 0.111 32.658 32.500 0.078 0.000 0.859 941 K HN 0.609 nan 8.250 nan 0.000 0.514 942 H N -2.455 116.399 119.070 -0.361 0.000 2.928 942 H HA 0.594 5.151 4.556 0.001 0.000 0.285 942 H C 0.189 175.064 175.328 -0.755 0.000 1.438 942 H CA -0.189 55.389 56.048 -0.783 0.000 1.176 942 H CB 0.987 30.537 29.762 -0.353 0.000 1.864 942 H HN 0.082 nan 8.280 nan 0.000 0.567 943 G N 0.537 109.024 108.800 -0.523 0.000 2.384 943 G HA2 -0.073 3.888 3.960 0.001 0.000 0.200 943 G HA3 -0.073 3.888 3.960 0.001 0.000 0.200 943 G C -1.130 173.786 174.900 0.026 0.000 1.205 943 G CA -0.273 44.740 45.100 -0.145 0.000 1.116 943 G HN 0.832 nan 8.290 nan 0.000 0.547 944 R N 0.235 120.885 120.500 0.249 0.000 2.534 944 R HA 0.716 5.057 4.340 0.001 0.000 0.301 944 R C -0.037 176.583 176.300 0.535 0.000 0.961 944 R CA 0.080 56.405 56.100 0.375 0.000 0.871 944 R CB 1.403 31.850 30.300 0.245 0.000 1.170 944 R HN 1.503 nan 8.270 nan 0.000 0.446 945 A N 4.104 127.207 122.820 0.472 0.000 2.325 945 A HA 0.537 4.858 4.320 0.001 0.000 0.333 945 A C -1.476 176.152 177.584 0.073 0.000 1.155 945 A CA -0.737 51.471 52.037 0.285 0.000 0.814 945 A CB 1.349 20.475 19.000 0.210 0.000 1.206 945 A HN 0.602 nan 8.150 nan 0.000 0.482 946 L N 2.253 123.316 121.223 -0.266 0.000 2.296 946 L HA 0.704 5.045 4.340 0.001 0.000 0.286 946 L C -1.454 175.228 176.870 -0.315 0.000 1.023 946 L CA -0.316 54.242 54.840 -0.470 0.000 0.812 946 L CB 1.088 42.497 42.059 -1.083 0.000 1.223 946 L HN 0.536 nan 8.230 nan 0.000 0.421 947 L N 4.306 125.414 121.223 -0.191 0.000 2.322 947 L HA 0.723 5.064 4.340 0.001 0.000 0.281 947 L C -0.153 176.642 176.870 -0.125 0.000 1.014 947 L CA 0.063 54.816 54.840 -0.145 0.000 0.815 947 L CB 1.837 43.847 42.059 -0.081 0.000 1.247 947 L HN 0.675 nan 8.230 nan 0.000 0.421 948 S N 2.583 118.212 115.700 -0.118 0.000 2.382 948 S HA 0.627 5.098 4.470 0.001 0.000 0.228 948 S C -0.927 173.632 174.600 -0.068 0.000 0.996 948 S CA -0.536 57.612 58.200 -0.087 0.000 1.094 948 S CB 0.347 63.481 63.200 -0.111 0.000 1.209 948 S HN 0.441 nan 8.310 nan 0.000 0.420 949 V N 2.660 122.550 119.914 -0.041 0.000 3.158 949 V HA 0.863 4.984 4.120 0.001 0.000 0.315 949 V C -0.237 175.849 176.094 -0.014 0.000 1.148 949 V CA -1.516 60.768 62.300 -0.026 0.000 1.042 949 V CB 1.415 33.229 31.823 -0.015 0.000 1.101 949 V HN 0.837 nan 8.190 nan 0.000 0.448 950 R N -0.454 120.042 120.500 -0.007 0.000 2.549 950 R HA 0.576 4.917 4.340 0.001 0.000 0.267 950 R C 0.948 177.250 176.300 0.004 0.000 1.045 950 R CA -0.459 55.635 56.100 -0.011 0.000 1.115 950 R CB 0.251 30.536 30.300 -0.025 0.000 1.121 950 R HN 0.643 nan 8.270 nan 0.000 0.543 951 E N 1.327 121.525 120.200 -0.002 0.000 2.119 951 E HA -0.231 4.119 4.350 0.001 0.000 0.221 951 E C 1.959 178.574 176.600 0.024 0.000 1.062 951 E CA 2.607 59.013 56.400 0.009 0.000 0.894 951 E CB -0.982 28.717 29.700 -0.002 0.000 0.785 951 E HN 0.896 nan 8.360 nan 0.000 0.472 952 G N 0.116 108.934 108.800 0.031 0.000 2.479 952 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 952 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 952 G C 1.046 175.980 174.900 0.058 0.000 1.115 952 G CA 1.076 46.206 45.100 0.050 0.000 0.757 952 G HN 0.219 nan 8.290 nan 0.000 0.560 953 D N -0.227 120.206 120.400 0.055 0.000 2.350 953 D HA 0.087 4.727 4.640 0.001 0.000 0.213 953 D C 2.201 178.536 176.300 0.060 0.000 1.031 953 D CA 0.181 54.222 54.000 0.069 0.000 0.861 953 D CB 0.153 40.990 40.800 0.063 0.000 0.926 953 D HN 0.238 nan 8.370 nan 0.000 0.520 954 K N 0.765 121.191 120.400 0.043 0.000 2.103 954 K HA -0.146 4.175 4.320 0.001 0.000 0.207 954 K C 1.917 178.544 176.600 0.045 0.000 1.048 954 K CA 0.934 57.242 56.287 0.036 0.000 0.930 954 K CB 0.176 32.692 32.500 0.028 0.000 0.716 954 K HN 0.131 nan 8.250 nan 0.000 0.444 955 E N 0.404 120.634 120.200 0.050 0.000 2.028 955 E HA -0.178 4.173 4.350 0.001 0.000 0.191 955 E C 2.110 178.756 176.600 0.077 0.000 0.988 955 E CA 1.125 57.557 56.400 0.053 0.000 0.799 955 E CB 0.109 29.836 29.700 0.045 0.000 0.755 955 E HN 0.165 nan 8.360 nan 0.000 0.447 956 R N 0.090 120.653 120.500 0.104 0.000 2.189 956 R HA -0.061 4.279 4.340 0.001 0.000 0.223 956 R C 2.296 178.733 176.300 0.228 0.000 1.092 956 R CA 0.427 56.636 56.100 0.183 0.000 0.989 956 R CB -0.063 30.372 30.300 0.224 0.000 0.876 956 R HN 0.095 nan 8.270 nan 0.000 0.457 957 V N 0.404 120.390 119.914 0.120 0.000 2.913 957 V HA -0.153 3.968 4.120 0.001 0.000 0.260 957 V C 1.797 177.913 176.094 0.037 0.000 1.098 957 V CA 1.324 63.652 62.300 0.048 0.000 1.121 957 V CB 0.110 31.941 31.823 0.014 0.000 0.714 957 V HN 0.119 nan 8.190 nan 0.000 0.487 958 V N 0.240 120.194 119.914 0.068 0.000 2.358 958 V HA -0.203 3.918 4.120 0.001 0.000 0.246 958 V C 2.381 178.518 176.094 0.072 0.000 1.047 958 V CA 2.334 64.666 62.300 0.054 0.000 1.035 958 V CB -0.723 31.132 31.823 0.053 0.000 0.658 958 V HN 0.648 nan 8.190 nan 0.000 0.452 959 D N 0.039 120.523 120.400 0.141 0.000 2.117 959 D HA -0.167 4.473 4.640 0.001 0.000 0.197 959 D C 1.958 178.343 176.300 0.142 0.000 0.987 959 D CA 1.203 55.318 54.000 0.191 0.000 0.829 959 D CB -0.157 40.830 40.800 0.312 0.000 0.961 959 D HN 0.303 nan 8.370 nan 0.000 0.460 960 L N 0.449 121.677 121.223 0.008 0.000 2.046 960 L HA 0.012 4.352 4.340 0.001 0.000 0.208 960 L C 2.143 178.931 176.870 -0.136 0.000 1.077 960 L CA 2.136 56.798 54.840 -0.296 0.000 0.747 960 L CB -1.005 40.623 42.059 -0.718 0.000 0.896 960 L HN 0.044 nan 8.230 nan 0.000 0.432 961 A N -0.376 122.405 122.820 -0.064 0.000 1.902 961 A HA -0.100 4.221 4.320 0.001 0.000 0.217 961 A C 2.473 180.057 177.584 0.001 0.000 1.181 961 A CA 1.842 53.862 52.037 -0.028 0.000 0.623 961 A CB -1.186 17.812 19.000 -0.004 0.000 0.818 961 A HN 0.597 nan 8.150 nan 0.000 0.443 962 A N -0.201 122.631 122.820 0.020 0.000 1.865 962 A HA -0.200 4.121 4.320 0.001 0.000 0.217 962 A C 2.108 179.715 177.584 0.039 0.000 1.191 962 A CA 2.044 54.104 52.037 0.039 0.000 0.623 962 A CB -0.524 18.508 19.000 0.052 0.000 0.826 962 A HN 0.516 nan 8.150 nan 0.000 0.444 963 K N -0.519 119.899 120.400 0.029 0.000 2.074 963 K HA -0.117 4.204 4.320 0.001 0.000 0.209 963 K C 1.851 178.452 176.600 0.001 0.000 1.048 963 K CA 1.656 57.956 56.287 0.022 0.000 0.926 963 K CB -0.403 32.103 32.500 0.010 0.000 0.713 963 K HN 0.503 nan 8.250 nan 0.000 0.444 964 L N 0.490 121.684 121.223 -0.049 0.000 2.056 964 L HA -0.192 4.149 4.340 0.001 0.000 0.207 964 L C 2.259 179.212 176.870 0.138 0.000 1.078 964 L CA 0.964 55.765 54.840 -0.065 0.000 0.749 964 L CB -0.377 41.567 42.059 -0.193 0.000 0.901 964 L HN 0.181 nan 8.230 nan 0.000 0.433 965 L N -0.351 120.934 121.223 0.104 0.000 1.994 965 L HA -0.248 4.092 4.340 0.001 0.000 0.208 965 L C 2.751 179.695 176.870 0.123 0.000 1.071 965 L CA 1.369 56.286 54.840 0.128 0.000 0.745 965 L CB -0.503 41.605 42.059 0.083 0.000 0.892 965 L HN 0.209 nan 8.230 nan 0.000 0.431 966 K N -0.224 120.231 120.400 0.092 0.000 2.127 966 K HA -0.296 4.025 4.320 0.001 0.000 0.208 966 K C 2.080 178.740 176.600 0.100 0.000 1.047 966 K CA 1.709 58.044 56.287 0.080 0.000 0.927 966 K CB -0.045 32.493 32.500 0.063 0.000 0.716 966 K HN 0.122 nan 8.250 nan 0.000 0.450 967 Q N -0.290 119.602 119.800 0.154 0.000 2.515 967 Q HA -0.022 4.319 4.340 0.001 0.000 0.212 967 Q C 0.477 176.595 176.000 0.197 0.000 0.970 967 Q CA 1.026 56.958 55.803 0.216 0.000 0.941 967 Q CB 0.022 28.956 28.738 0.325 0.000 0.998 967 Q HN 0.496 nan 8.270 nan 0.000 0.518 968 G N -0.838 108.056 108.800 0.157 0.000 2.149 968 G HA2 -0.266 3.695 3.960 0.001 0.000 0.235 968 G HA3 -0.266 3.695 3.960 0.001 0.000 0.235 968 G C -0.329 174.573 174.900 0.003 0.000 1.018 968 G CA 0.034 45.168 45.100 0.057 0.000 0.728 968 G HN 0.262 nan 8.290 nan 0.000 0.508 969 F N 0.382 120.361 119.950 0.049 0.000 2.425 969 F HA 0.604 5.132 4.527 0.001 0.000 0.331 969 F C 0.793 176.633 175.800 0.066 0.000 1.085 969 F CA -0.698 57.340 58.000 0.063 0.000 1.028 969 F CB 1.438 40.472 39.000 0.056 0.000 1.177 969 F HN 0.073 nan 8.300 nan 0.000 0.487 970 E N 2.883 123.246 120.200 0.271 0.000 2.249 970 E HA 0.490 4.840 4.350 0.001 0.000 0.280 970 E C -1.113 175.624 176.600 0.229 0.000 1.016 970 E CA -0.470 56.046 56.400 0.193 0.000 0.830 970 E CB 1.153 30.930 29.700 0.129 0.000 1.081 970 E HN 0.408 nan 8.360 nan 0.000 0.395 971 L N 2.501 123.824 121.223 0.166 0.000 2.334 971 L HA 0.548 4.889 4.340 0.001 0.000 0.273 971 L C -0.527 176.424 176.870 0.135 0.000 1.013 971 L CA -0.962 53.967 54.840 0.148 0.000 0.816 971 L CB 1.420 43.534 42.059 0.092 0.000 1.278 971 L HN 0.433 nan 8.230 nan 0.000 0.431 972 D N 0.663 121.145 120.400 0.136 0.000 2.490 972 D HA 0.867 5.508 4.640 0.001 0.000 0.232 972 D C -0.928 175.391 176.300 0.032 0.000 1.053 972 D CA -0.188 53.888 54.000 0.126 0.000 0.914 972 D CB 2.380 43.345 40.800 0.276 0.000 1.431 972 D HN 0.737 nan 8.370 nan 0.000 0.483 973 A N -0.055 122.779 122.820 0.023 0.000 2.586 973 A HA 0.676 4.997 4.320 0.001 0.000 0.291 973 A C -0.575 177.008 177.584 -0.002 0.000 1.062 973 A CA -0.808 51.220 52.037 -0.015 0.000 0.666 973 A CB 0.908 19.899 19.000 -0.015 0.000 1.281 973 A HN 0.480 nan 8.150 nan 0.000 0.421 974 T N -1.845 112.703 114.554 -0.010 0.000 2.918 974 T HA 0.460 4.810 4.350 0.001 0.000 0.283 974 T C 1.110 175.841 174.700 0.051 0.000 1.001 974 T CA 0.648 62.760 62.100 0.020 0.000 1.041 974 T CB 0.750 69.620 68.868 0.005 0.000 1.028 974 T HN 0.889 nan 8.240 nan 0.000 0.511 975 H N 1.864 120.926 119.070 -0.013 0.000 2.280 975 H HA -0.248 4.309 4.556 0.001 0.000 0.284 975 H C 2.329 177.657 175.328 -0.000 0.000 1.108 975 H CA 3.073 59.119 56.048 -0.003 0.000 1.163 975 H CB -0.905 28.858 29.762 0.003 0.000 1.358 975 H HN 0.859 nan 8.280 nan 0.000 0.505 976 G N -1.579 107.343 108.800 0.203 0.000 2.545 976 G HA2 -0.351 3.610 3.960 0.001 0.000 0.217 976 G HA3 -0.351 3.610 3.960 0.001 0.000 0.217 976 G C 1.766 176.688 174.900 0.037 0.000 1.218 976 G CA 1.747 46.920 45.100 0.121 0.000 0.787 976 G HN 0.531 nan 8.290 nan 0.000 0.571 977 T N 1.815 116.381 114.554 0.021 0.000 2.665 977 T HA -0.092 4.258 4.350 0.001 0.000 0.268 977 T C 2.773 177.464 174.700 -0.015 0.000 1.035 977 T CA 1.910 64.010 62.100 -0.001 0.000 1.151 977 T CB -0.516 68.345 68.868 -0.012 0.000 0.862 977 T HN 0.434 nan 8.240 nan 0.000 0.438 978 A N 1.431 124.231 122.820 -0.032 0.000 1.940 978 A HA -0.062 4.259 4.320 0.001 0.000 0.219 978 A C 2.271 179.812 177.584 -0.071 0.000 1.176 978 A CA 1.092 53.096 52.037 -0.055 0.000 0.631 978 A CB -0.672 18.278 19.000 -0.084 0.000 0.814 978 A HN 0.403 nan 8.150 nan 0.000 0.446 979 I N -0.030 120.485 120.570 -0.093 0.000 2.076 979 I HA -0.221 3.950 4.170 0.001 0.000 0.237 979 I C 2.531 178.629 176.117 -0.031 0.000 1.059 979 I CA 1.539 62.793 61.300 -0.078 0.000 1.317 979 I CB -1.417 36.549 38.000 -0.056 0.000 1.037 979 I HN 0.169 nan 8.210 nan 0.000 0.398 980 V N 1.195 121.102 119.914 -0.012 0.000 2.380 980 V HA -0.274 3.847 4.120 0.001 0.000 0.251 980 V C 2.596 178.692 176.094 0.002 0.000 1.063 980 V CA 1.593 63.894 62.300 0.002 0.000 1.055 980 V CB -0.639 31.191 31.823 0.011 0.000 0.657 980 V HN 0.355 nan 8.190 nan 0.000 0.455 981 L N 0.219 121.439 121.223 -0.004 0.000 2.072 981 L HA -0.015 4.325 4.340 0.001 0.000 0.205 981 L C 2.699 179.569 176.870 -0.000 0.000 1.079 981 L CA 1.568 56.408 54.840 0.001 0.000 0.752 981 L CB -1.181 40.878 42.059 -0.000 0.000 0.906 981 L HN 0.459 nan 8.230 nan 0.000 0.436 982 G N -0.133 108.660 108.800 -0.011 0.000 2.440 982 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 982 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 982 G C 1.373 176.270 174.900 -0.005 0.000 1.154 982 G CA 0.478 45.571 45.100 -0.012 0.000 0.767 982 G HN 0.424 nan 8.290 nan 0.000 0.552 983 E N 0.576 120.774 120.200 -0.004 0.000 2.338 983 E HA 0.037 4.388 4.350 0.001 0.000 0.197 983 E C 2.438 179.042 176.600 0.008 0.000 1.007 983 E CA 0.592 56.993 56.400 0.002 0.000 0.849 983 E CB -0.026 29.676 29.700 0.004 0.000 0.774 983 E HN 0.457 nan 8.360 nan 0.000 0.506 984 A N 0.387 123.213 122.820 0.010 0.000 2.275 984 A HA 0.351 4.672 4.320 0.001 0.000 0.212 984 A C 1.614 179.207 177.584 0.015 0.000 1.201 984 A CA 0.631 52.677 52.037 0.015 0.000 0.843 984 A CB 0.063 19.075 19.000 0.020 0.000 0.873 984 A HN 0.279 nan 8.150 nan 0.000 0.492 985 G N -0.891 107.916 108.800 0.011 0.000 2.141 985 G HA2 -0.199 3.761 3.960 0.001 0.000 0.242 985 G HA3 -0.199 3.761 3.960 0.001 0.000 0.242 985 G C -0.010 174.899 174.900 0.014 0.000 0.982 985 G CA 0.253 45.360 45.100 0.012 0.000 0.662 985 G HN 0.450 nan 8.290 nan 0.000 0.527 986 I N 1.178 121.756 120.570 0.014 0.000 2.355 986 I HA 0.290 4.461 4.170 0.001 0.000 0.288 986 I C -0.181 175.942 176.117 0.012 0.000 0.999 986 I CA -0.586 60.725 61.300 0.017 0.000 1.163 986 I CB 1.351 39.363 38.000 0.021 0.000 1.316 986 I HN 0.112 nan 8.210 nan 0.000 0.454 987 N N 8.337 127.045 118.700 0.014 0.000 2.558 987 N HA 0.364 5.105 4.740 0.001 0.000 0.242 987 N C -2.436 173.085 175.510 0.017 0.000 0.979 987 N CA -1.315 51.740 53.050 0.009 0.000 0.931 987 N CB 1.152 39.643 38.487 0.007 0.000 1.122 987 N HN 0.349 nan 8.380 nan 0.000 0.508 988 P HA 0.150 nan 4.420 nan 0.000 0.278 988 P C -0.692 176.624 177.300 0.027 0.000 1.258 988 P CA -0.551 62.566 63.100 0.028 0.000 0.811 988 P CB 1.132 32.844 31.700 0.020 0.000 1.063 989 R N 1.308 121.836 120.500 0.047 0.000 2.267 989 R HA 0.228 4.569 4.340 0.001 0.000 0.319 989 R C -0.279 176.047 176.300 0.044 0.000 1.067 989 R CA -0.657 55.471 56.100 0.045 0.000 0.936 989 R CB -0.210 30.125 30.300 0.059 0.000 1.006 989 R HN 0.346 nan 8.270 nan 0.000 0.452 990 L N 5.941 127.180 121.223 0.025 0.000 2.462 990 L HA 0.131 4.472 4.340 0.001 0.000 0.272 990 L C -0.695 176.200 176.870 0.042 0.000 1.166 990 L CA 0.546 55.400 54.840 0.023 0.000 0.880 990 L CB 1.202 43.264 42.059 0.006 0.000 1.142 990 L HN 0.475 nan 8.230 nan 0.000 0.473 991 V N 6.225 126.171 119.914 0.052 0.000 2.628 991 V HA 0.494 4.615 4.120 0.001 0.000 0.306 991 V C -0.072 176.051 176.094 0.048 0.000 1.045 991 V CA -0.732 61.608 62.300 0.066 0.000 0.905 991 V CB 2.045 33.933 31.823 0.109 0.000 0.997 991 V HN 0.956 nan 8.190 nan 0.000 0.436 992 N N 4.119 122.847 118.700 0.047 0.000 2.499 992 N HA 0.343 5.083 4.740 0.001 0.000 0.281 992 N C -0.413 175.098 175.510 0.002 0.000 1.098 992 N CA -0.492 52.572 53.050 0.024 0.000 0.979 992 N CB 1.051 39.555 38.487 0.027 0.000 1.121 992 N HN 0.657 nan 8.380 nan 0.000 0.466 993 K N 0.408 120.739 120.400 -0.114 0.000 2.159 993 K HA 0.042 4.362 4.320 0.001 0.000 0.242 993 K C 0.882 177.364 176.600 -0.197 0.000 1.043 993 K CA -0.389 55.764 56.287 -0.224 0.000 0.856 993 K CB 0.386 32.624 32.500 -0.436 0.000 1.072 993 K HN 0.216 nan 8.250 nan 0.000 0.514 994 V N 0.898 120.665 119.914 -0.245 0.000 2.548 994 V HA -0.176 3.945 4.120 0.001 0.000 0.249 994 V C 1.806 177.881 176.094 -0.032 0.000 1.055 994 V CA 1.867 64.040 62.300 -0.212 0.000 1.065 994 V CB -1.062 30.504 31.823 -0.429 0.000 0.681 994 V HN 0.771 nan 8.190 nan 0.000 0.462 995 H N -0.605 118.468 119.070 0.005 0.000 2.547 995 H HA 0.089 4.646 4.556 0.001 0.000 0.272 995 H C 1.813 177.160 175.328 0.032 0.000 0.989 995 H CA 0.995 57.052 56.048 0.016 0.000 1.214 995 H CB -0.334 29.422 29.762 -0.010 0.000 1.389 995 H HN 0.435 nan 8.280 nan 0.000 0.577 996 E N 0.307 120.420 120.200 -0.146 0.000 2.285 996 E HA 0.216 4.566 4.350 0.001 0.000 0.194 996 E C 1.013 177.625 176.600 0.020 0.000 0.997 996 E CA 0.472 56.847 56.400 -0.042 0.000 0.845 996 E CB 0.336 29.971 29.700 -0.108 0.000 0.782 996 E HN 0.680 nan 8.360 nan 0.000 0.491 997 G N 0.231 109.057 108.800 0.044 0.000 2.204 997 G HA2 -0.042 3.918 3.960 0.001 0.000 0.153 997 G HA3 -0.042 3.918 3.960 0.001 0.000 0.153 997 G C -1.012 173.877 174.900 -0.019 0.000 1.295 997 G CA -0.727 44.391 45.100 0.029 0.000 1.257 997 G HN 0.066 nan 8.290 nan 0.000 0.495 998 R N 0.213 120.679 120.500 -0.058 0.000 2.739 998 R HA 0.621 4.962 4.340 0.001 0.000 0.271 998 R C -2.618 173.627 176.300 -0.093 0.000 1.010 998 R CA -1.181 54.836 56.100 -0.139 0.000 0.897 998 R CB 2.171 32.360 30.300 -0.184 0.000 1.236 998 R HN 0.531 nan 8.270 nan 0.000 0.466 999 P HA 0.204 nan 4.420 nan 0.000 0.279 999 P C -1.132 176.081 177.300 -0.146 0.000 1.252 999 P CA -0.393 62.568 63.100 -0.232 0.000 0.811 999 P CB 0.533 32.124 31.700 -0.183 0.000 1.035 1000 H N -0.355 118.707 119.070 -0.012 0.000 2.630 1000 H HA 0.261 4.817 4.556 0.001 0.000 0.343 1000 H C 1.080 176.416 175.328 0.014 0.000 1.232 1000 H CA -0.928 55.111 56.048 -0.014 0.000 1.294 1000 H CB 0.684 30.423 29.762 -0.039 0.000 1.746 1000 H HN 0.160 nan 8.280 nan 0.000 0.593 1001 I N -1.463 119.245 120.570 0.231 0.000 2.185 1001 I HA -0.342 3.829 4.170 0.001 0.000 0.246 1001 I C 2.318 178.547 176.117 0.187 0.000 1.088 1001 I CA 1.467 62.870 61.300 0.172 0.000 1.347 1001 I CB -1.089 36.927 38.000 0.027 0.000 1.041 1001 I HN 0.618 nan 8.210 nan 0.000 0.415 1002 Q N 1.191 121.073 119.800 0.137 0.000 2.084 1002 Q HA -0.224 4.116 4.340 0.001 0.000 0.202 1002 Q C 1.773 177.869 176.000 0.159 0.000 0.978 1002 Q CA 2.348 58.198 55.803 0.078 0.000 0.844 1002 Q CB -0.301 28.341 28.738 -0.159 0.000 0.898 1002 Q HN 0.717 nan 8.270 nan 0.000 0.426 1003 D N -0.155 120.446 120.400 0.336 0.000 2.149 1003 D HA -0.125 4.516 4.640 0.001 0.000 0.201 1003 D C 2.008 178.299 176.300 -0.014 0.000 0.972 1003 D CA 0.597 54.650 54.000 0.088 0.000 0.835 1003 D CB -0.213 40.563 40.800 -0.039 0.000 0.966 1003 D HN 0.261 nan 8.370 nan 0.000 0.476 1004 R N 0.477 120.996 120.500 0.032 0.000 2.081 1004 R HA -0.031 4.309 4.340 0.001 0.000 0.235 1004 R C 2.604 178.845 176.300 -0.099 0.000 1.131 1004 R CA 0.558 56.608 56.100 -0.084 0.000 0.960 1004 R CB -0.354 29.894 30.300 -0.086 0.000 0.856 1004 R HN 0.236 nan 8.270 nan 0.000 0.436 1005 I N 1.447 122.070 120.570 0.088 0.000 2.179 1005 I HA -0.311 3.860 4.170 0.001 0.000 0.242 1005 I C 2.637 178.590 176.117 -0.273 0.000 1.088 1005 I CA 1.457 62.796 61.300 0.066 0.000 1.357 1005 I CB -0.250 37.821 38.000 0.119 0.000 1.051 1005 I HN 0.149 nan 8.210 nan 0.000 0.409 1006 K N 1.132 121.259 120.400 -0.454 0.000 2.209 1006 K HA -0.161 4.159 4.320 0.001 0.000 0.204 1006 K C 1.348 177.631 176.600 -0.528 0.000 1.048 1006 K CA 1.987 57.692 56.287 -0.971 0.000 0.940 1006 K CB -0.324 31.712 32.500 -0.774 0.000 0.729 1006 K HN 0.358 nan 8.250 nan 0.000 0.451 1007 N N -0.138 118.394 118.700 -0.280 0.000 2.467 1007 N HA 0.066 4.807 4.740 0.001 0.000 0.184 1007 N C 0.324 175.746 175.510 -0.147 0.000 1.106 1007 N CA 0.602 53.544 53.050 -0.180 0.000 0.892 1007 N CB 0.671 39.075 38.487 -0.138 0.000 0.969 1007 N HN 0.468 nan 8.380 nan 0.000 0.454 1008 G N 1.159 109.864 108.800 -0.158 0.000 2.149 1008 G HA2 -0.305 3.656 3.960 0.001 0.000 0.235 1008 G HA3 -0.305 3.656 3.960 0.001 0.000 0.235 1008 G C 0.631 175.463 174.900 -0.113 0.000 1.018 1008 G CA 0.336 45.389 45.100 -0.079 0.000 0.728 1008 G HN 0.364 nan 8.290 nan 0.000 0.508 1009 E N -0.918 119.123 120.200 -0.265 0.000 2.268 1009 E HA 0.104 4.454 4.350 0.001 0.000 0.195 1009 E C 0.574 176.924 176.600 -0.418 0.000 0.995 1009 E CA 0.970 57.105 56.400 -0.441 0.000 0.836 1009 E CB -0.030 29.205 29.700 -0.775 0.000 0.763 1009 E HN 0.709 nan 8.360 nan 0.000 0.491 1010 Y N -1.738 118.591 120.300 0.049 0.000 2.509 1010 Y HA 0.326 4.876 4.550 0.001 0.000 0.341 1010 Y C 1.191 177.164 175.900 0.120 0.000 1.038 1010 Y CA -0.367 57.788 58.100 0.090 0.000 1.089 1010 Y CB 1.904 40.407 38.460 0.071 0.000 1.241 1010 Y HN -0.133 nan 8.280 nan 0.000 0.468 1011 T N -2.981 111.785 114.554 0.354 0.000 3.003 1011 T HA 0.246 4.597 4.350 0.001 0.000 0.261 1011 T C -0.772 174.179 174.700 0.418 0.000 1.003 1011 T CA 0.012 62.288 62.100 0.294 0.000 0.917 1011 T CB -0.142 68.816 68.868 0.151 0.000 1.084 1011 T HN 0.507 nan 8.240 nan 0.000 0.522 1012 Y N 0.431 120.879 120.300 0.247 0.000 2.519 1012 Y HA 0.669 5.220 4.550 0.001 0.000 0.336 1012 Y C -2.285 173.650 175.900 0.059 0.000 1.089 1012 Y CA -2.553 55.646 58.100 0.164 0.000 1.025 1012 Y CB 1.515 40.002 38.460 0.046 0.000 1.318 1012 Y HN 0.153 nan 8.280 nan 0.000 0.452 1013 I N 6.930 127.021 120.570 -0.799 0.000 2.534 1013 I HA 0.408 4.579 4.170 0.001 0.000 0.288 1013 I C -1.503 174.059 176.117 -0.926 0.000 1.077 1013 I CA -0.934 59.940 61.300 -0.712 0.000 1.051 1013 I CB 2.167 39.964 38.000 -0.339 0.000 1.234 1013 I HN 0.516 nan 8.210 nan 0.000 0.425 1014 I N 7.031 127.197 120.570 -0.674 0.000 2.420 1014 I HA 0.381 4.551 4.170 0.001 0.000 0.282 1014 I C -0.867 175.118 176.117 -0.220 0.000 1.019 1014 I CA -0.045 61.027 61.300 -0.380 0.000 1.130 1014 I CB 0.813 38.676 38.000 -0.229 0.000 1.262 1014 I HN 0.591 nan 8.210 nan 0.000 0.454 1015 N N 5.633 124.251 118.700 -0.137 0.000 2.577 1015 N HA 0.303 5.044 4.740 0.001 0.000 0.275 1015 N C -1.279 174.206 175.510 -0.042 0.000 1.091 1015 N CA -0.245 52.745 53.050 -0.100 0.000 0.843 1015 N CB 1.201 39.606 38.487 -0.135 0.000 1.295 1015 N HN 0.618 nan 8.380 nan 0.000 0.530 1016 T N 0.486 115.021 114.554 -0.031 0.000 2.859 1016 T HA 0.680 5.031 4.350 0.001 0.000 0.281 1016 T C -0.202 174.487 174.700 -0.017 0.000 1.005 1016 T CA -0.214 61.884 62.100 -0.004 0.000 1.025 1016 T CB 1.884 70.763 68.868 0.018 0.000 0.977 1016 T HN 0.276 nan 8.240 nan 0.000 0.458 1017 T N 1.361 115.907 114.554 -0.015 0.000 2.841 1017 T HA 0.738 5.089 4.350 0.001 0.000 0.296 1017 T C -0.950 173.721 174.700 -0.048 0.000 1.166 1017 T CA -0.919 61.159 62.100 -0.037 0.000 1.007 1017 T CB 1.942 70.785 68.868 -0.041 0.000 1.253 1017 T HN 0.701 nan 8.240 nan 0.000 0.511 1018 S N -0.166 115.473 115.700 -0.102 0.000 2.592 1018 S HA 0.722 5.193 4.470 0.001 0.000 0.275 1018 S C -0.489 173.951 174.600 -0.268 0.000 1.169 1018 S CA 0.083 58.167 58.200 -0.192 0.000 0.958 1018 S CB 1.296 64.322 63.200 -0.290 0.000 1.095 1018 S HN 1.632 nan 8.310 nan 0.000 0.471 1019 G N 2.737 111.409 108.800 -0.213 0.000 3.444 1019 G HA2 -0.073 3.887 3.960 0.001 0.000 0.685 1019 G HA3 -0.073 3.887 3.960 0.001 0.000 0.685 1019 G C -0.024 174.841 174.900 -0.059 0.000 1.145 1019 G CA -0.649 44.356 45.100 -0.159 0.000 0.973 1019 G HN 0.604 nan 8.290 nan 0.000 0.525 1020 R N 0.955 121.451 120.500 -0.006 0.000 2.185 1020 R HA -0.127 4.213 4.340 0.001 0.000 0.247 1020 R C 2.517 178.811 176.300 -0.010 0.000 1.159 1020 R CA 2.571 58.675 56.100 0.007 0.000 0.988 1020 R CB -0.217 30.106 30.300 0.037 0.000 0.871 1020 R HN 0.729 nan 8.270 nan 0.000 0.458 1021 R N -0.976 119.510 120.500 -0.023 0.000 2.052 1021 R HA 0.111 4.452 4.340 0.001 0.000 0.224 1021 R C 2.007 178.285 176.300 -0.036 0.000 1.149 1021 R CA 1.266 57.349 56.100 -0.028 0.000 0.962 1021 R CB -0.569 29.713 30.300 -0.031 0.000 0.856 1021 R HN 0.136 nan 8.270 nan 0.000 0.433 1022 A N 1.088 123.879 122.820 -0.049 0.000 1.958 1022 A HA -0.203 4.118 4.320 0.001 0.000 0.221 1022 A C 2.195 179.752 177.584 -0.045 0.000 1.178 1022 A CA 1.866 53.873 52.037 -0.050 0.000 0.642 1022 A CB -0.754 18.203 19.000 -0.072 0.000 0.816 1022 A HN 0.446 nan 8.150 nan 0.000 0.453 1023 I N -0.718 119.825 120.570 -0.044 0.000 2.163 1023 I HA -0.258 3.912 4.170 0.001 0.000 0.240 1023 I C 2.527 178.621 176.117 -0.039 0.000 1.081 1023 I CA 1.766 63.042 61.300 -0.040 0.000 1.353 1023 I CB -0.422 37.560 38.000 -0.030 0.000 1.054 1023 I HN 0.408 nan 8.210 nan 0.000 0.407 1024 E N 0.591 120.773 120.200 -0.031 0.000 2.118 1024 E HA -0.249 4.102 4.350 0.001 0.000 0.195 1024 E C 1.653 178.235 176.600 -0.030 0.000 0.992 1024 E CA 1.438 57.821 56.400 -0.028 0.000 0.804 1024 E CB -0.108 29.580 29.700 -0.020 0.000 0.741 1024 E HN 0.491 nan 8.360 nan 0.000 0.458 1025 D N 0.295 120.678 120.400 -0.028 0.000 2.077 1025 D HA -0.118 4.523 4.640 0.001 0.000 0.196 1025 D C 2.084 178.369 176.300 -0.026 0.000 0.986 1025 D CA 1.685 55.674 54.000 -0.019 0.000 0.829 1025 D CB -0.532 40.264 40.800 -0.007 0.000 0.983 1025 D HN 0.120 nan 8.370 nan 0.000 0.453 1026 S N 0.634 116.311 115.700 -0.038 0.000 2.584 1026 S HA -0.116 4.354 4.470 0.001 0.000 0.240 1026 S C 1.716 176.266 174.600 -0.083 0.000 0.975 1026 S CA 0.230 58.394 58.200 -0.061 0.000 0.949 1026 S CB -0.225 62.937 63.200 -0.064 0.000 0.761 1026 S HN 0.159 nan 8.310 nan 0.000 0.536 1027 R N 1.162 121.619 120.500 -0.072 0.000 2.133 1027 R HA -0.128 4.212 4.340 0.001 0.000 0.247 1027 R C 2.175 178.415 176.300 -0.101 0.000 1.151 1027 R CA 1.735 57.785 56.100 -0.084 0.000 0.971 1027 R CB -0.866 29.398 30.300 -0.060 0.000 0.866 1027 R HN 0.461 nan 8.270 nan 0.000 0.447 1028 V N 1.099 120.960 119.914 -0.089 0.000 2.287 1028 V HA -0.242 3.879 4.120 0.001 0.000 0.248 1028 V C 2.218 178.243 176.094 -0.115 0.000 1.053 1028 V CA 2.064 64.309 62.300 -0.093 0.000 1.027 1028 V CB -0.259 31.506 31.823 -0.097 0.000 0.646 1028 V HN 0.352 nan 8.190 nan 0.000 0.447 1029 I N -0.002 120.487 120.570 -0.136 0.000 2.151 1029 I HA -0.287 3.884 4.170 0.001 0.000 0.243 1029 I C 2.839 178.801 176.117 -0.260 0.000 1.080 1029 I CA 2.352 63.549 61.300 -0.171 0.000 1.339 1029 I CB -0.527 37.366 38.000 -0.179 0.000 1.039 1029 I HN 0.260 nan 8.210 nan 0.000 0.409 1030 R N 0.353 120.668 120.500 -0.308 0.000 2.073 1030 R HA -0.054 4.287 4.340 0.001 0.000 0.229 1030 R C 2.494 178.544 176.300 -0.416 0.000 1.120 1030 R CA 1.038 56.834 56.100 -0.506 0.000 0.967 1030 R CB -0.284 29.776 30.300 -0.398 0.000 0.862 1030 R HN 0.356 nan 8.270 nan 0.000 0.436 1031 R N 0.248 120.607 120.500 -0.234 0.000 2.073 1031 R HA -0.053 4.288 4.340 0.001 0.000 0.234 1031 R C 2.395 178.625 176.300 -0.116 0.000 1.134 1031 R CA 1.780 57.789 56.100 -0.152 0.000 0.952 1031 R CB -0.287 29.957 30.300 -0.093 0.000 0.850 1031 R HN 0.136 nan 8.270 nan 0.000 0.433 1032 S N 1.193 116.855 115.700 -0.063 0.000 2.368 1032 S HA -0.139 4.332 4.470 0.001 0.000 0.225 1032 S C 2.200 176.870 174.600 0.117 0.000 1.030 1032 S CA 1.156 59.416 58.200 0.102 0.000 0.999 1032 S CB -0.282 63.022 63.200 0.174 0.000 0.844 1032 S HN 0.467 nan 8.310 nan 0.000 0.459 1033 A N 1.824 124.595 122.820 -0.082 0.000 1.865 1033 A HA -0.100 4.221 4.320 0.001 0.000 0.217 1033 A C 2.184 179.756 177.584 -0.020 0.000 1.191 1033 A CA 1.694 53.671 52.037 -0.101 0.000 0.623 1033 A CB -0.900 17.825 19.000 -0.458 0.000 0.826 1033 A HN 0.412 nan 8.150 nan 0.000 0.444 1034 L N -0.305 120.843 121.223 -0.125 0.000 1.989 1034 L HA -0.236 4.105 4.340 0.001 0.000 0.211 1034 L C 2.609 179.471 176.870 -0.013 0.000 1.071 1034 L CA 2.767 57.624 54.840 0.030 0.000 0.749 1034 L CB -0.672 41.410 42.059 0.039 0.000 0.890 1034 L HN 0.610 nan 8.230 nan 0.000 0.431 1035 Q N -1.699 118.023 119.800 -0.130 0.000 2.170 1035 Q HA -0.239 4.102 4.340 0.001 0.000 0.203 1035 Q C 1.592 177.313 176.000 -0.465 0.000 0.976 1035 Q CA 1.949 57.556 55.803 -0.327 0.000 0.858 1035 Q CB -0.172 28.264 28.738 -0.504 0.000 0.907 1035 Q HN 0.723 nan 8.270 nan 0.000 0.433 1036 Y N -0.119 120.198 120.300 0.030 0.000 2.457 1036 Y HA 0.139 4.689 4.550 0.001 0.000 0.263 1036 Y C 0.125 176.066 175.900 0.069 0.000 1.164 1036 Y CA -0.071 58.056 58.100 0.045 0.000 1.274 1036 Y CB 0.889 39.377 38.460 0.046 0.000 1.097 1036 Y HN -0.048 nan 8.280 nan 0.000 0.523 1037 K N -1.104 119.394 120.400 0.164 0.000 3.299 1037 K HA -0.113 4.208 4.320 0.001 0.000 0.284 1037 K C -0.897 175.827 176.600 0.207 0.000 1.235 1037 K CA 0.349 56.736 56.287 0.166 0.000 0.833 1037 K CB -2.579 30.003 32.500 0.137 0.000 1.330 1037 K HN 0.106 nan 8.250 nan 0.000 0.510 1038 V N 1.507 121.559 119.914 0.231 0.000 2.407 1038 V HA 0.174 4.295 4.120 0.001 0.000 0.278 1038 V C 0.791 177.064 176.094 0.298 0.000 1.037 1038 V CA -0.780 61.672 62.300 0.255 0.000 0.900 1038 V CB 1.222 33.180 31.823 0.224 0.000 0.983 1038 V HN 0.347 nan 8.190 nan 0.000 0.459 1039 H N 5.170 124.392 119.070 0.252 0.000 2.964 1039 H HA 0.322 4.879 4.556 0.001 0.000 0.328 1039 H C -0.681 174.816 175.328 0.281 0.000 1.030 1039 H CA 0.271 56.463 56.048 0.241 0.000 1.445 1039 H CB 0.194 30.093 29.762 0.228 0.000 1.449 1039 H HN 0.696 nan 8.280 nan 0.000 0.581 1040 Y N 1.428 121.212 120.300 -0.860 0.000 2.562 1040 Y HA 0.472 5.023 4.550 0.001 0.000 0.345 1040 Y C -1.550 174.091 175.900 -0.431 0.000 1.045 1040 Y CA -1.371 56.409 58.100 -0.533 0.000 1.028 1040 Y CB 1.391 39.656 38.460 -0.325 0.000 1.297 1040 Y HN 0.443 nan 8.280 nan 0.000 0.463 1041 D N 1.157 121.446 120.400 -0.185 0.000 2.350 1041 D HA 0.287 4.928 4.640 0.001 0.000 0.245 1041 D C 0.304 176.619 176.300 0.025 0.000 1.036 1041 D CA -0.346 53.618 54.000 -0.059 0.000 0.848 1041 D CB 2.214 43.103 40.800 0.148 0.000 1.307 1041 D HN 0.815 nan 8.370 nan 0.000 0.469 1042 T N -3.049 111.535 114.554 0.049 0.000 3.054 1042 T HA 0.156 4.507 4.350 0.001 0.000 0.255 1042 T C 0.647 175.392 174.700 0.076 0.000 1.035 1042 T CA -0.101 62.050 62.100 0.085 0.000 0.941 1042 T CB -0.058 68.882 68.868 0.119 0.000 1.026 1042 T HN 0.419 nan 8.240 nan 0.000 0.533 1043 T N -0.799 113.807 114.554 0.087 0.000 2.912 1043 T HA 0.624 4.975 4.350 0.001 0.000 0.299 1043 T C 0.549 175.319 174.700 0.115 0.000 1.052 1043 T CA -0.869 61.296 62.100 0.108 0.000 0.996 1043 T CB 1.788 70.736 68.868 0.134 0.000 1.070 1043 T HN -0.111 nan 8.240 nan 0.000 0.465 1044 L N 2.244 123.543 121.223 0.128 0.000 2.046 1044 L HA 0.028 4.369 4.340 0.001 0.000 0.208 1044 L C 2.240 179.272 176.870 0.270 0.000 1.077 1044 L CA 1.723 56.654 54.840 0.151 0.000 0.747 1044 L CB -0.981 41.204 42.059 0.211 0.000 0.896 1044 L HN 0.708 nan 8.230 nan 0.000 0.432 1045 N N -0.340 118.520 118.700 0.267 0.000 2.149 1045 N HA -0.144 4.597 4.740 0.001 0.000 0.188 1045 N C 1.786 177.432 175.510 0.226 0.000 1.019 1045 N CA 1.438 54.653 53.050 0.275 0.000 0.857 1045 N CB -0.795 37.817 38.487 0.209 0.000 0.997 1045 N HN 0.447 nan 8.380 nan 0.000 0.426 1046 G N -0.375 108.537 108.800 0.186 0.000 2.421 1046 G HA2 -0.077 3.884 3.960 0.001 0.000 0.217 1046 G HA3 -0.077 3.884 3.960 0.001 0.000 0.217 1046 G C 1.576 176.566 174.900 0.151 0.000 1.143 1046 G CA 0.848 46.053 45.100 0.174 0.000 0.784 1046 G HN 0.431 nan 8.290 nan 0.000 0.541 1047 G N 0.472 109.351 108.800 0.132 0.000 2.402 1047 G HA2 -0.099 3.861 3.960 0.001 0.000 0.216 1047 G HA3 -0.099 3.861 3.960 0.001 0.000 0.216 1047 G C 1.535 176.394 174.900 -0.070 0.000 1.162 1047 G CA 0.473 45.621 45.100 0.081 0.000 0.777 1047 G HN 0.322 nan 8.290 nan 0.000 0.539 1048 F N 1.791 121.751 119.950 0.017 0.000 2.171 1048 F HA 0.032 4.560 4.527 0.001 0.000 0.300 1048 F C 3.001 178.751 175.800 -0.085 0.000 1.090 1048 F CA 1.016 59.003 58.000 -0.021 0.000 1.293 1048 F CB -0.240 38.761 39.000 0.001 0.000 1.013 1048 F HN 0.238 nan 8.300 nan 0.000 0.486 1049 A N -0.756 122.056 122.820 -0.014 0.000 1.930 1049 A HA -0.152 4.169 4.320 0.001 0.000 0.217 1049 A C 2.236 179.523 177.584 -0.496 0.000 1.175 1049 A CA 2.138 53.910 52.037 -0.443 0.000 0.627 1049 A CB -1.236 17.164 19.000 -0.999 0.000 0.815 1049 A HN 0.331 nan 8.150 nan 0.000 0.443 1050 T N 0.348 114.787 114.554 -0.192 0.000 2.708 1050 T HA -0.052 4.299 4.350 0.001 0.000 0.266 1050 T C 2.254 176.862 174.700 -0.153 0.000 1.037 1050 T CA 1.678 63.740 62.100 -0.063 0.000 1.146 1050 T CB -0.488 68.352 68.868 -0.047 0.000 0.865 1050 T HN 0.600 nan 8.240 nan 0.000 0.435 1051 A N 1.244 123.953 122.820 -0.185 0.000 1.940 1051 A HA -0.101 4.220 4.320 0.001 0.000 0.219 1051 A C 2.356 179.907 177.584 -0.054 0.000 1.176 1051 A CA 1.605 53.545 52.037 -0.161 0.000 0.631 1051 A CB -0.684 18.233 19.000 -0.137 0.000 0.814 1051 A HN 0.449 nan 8.150 nan 0.000 0.446 1052 M N -0.859 118.731 119.600 -0.016 0.000 2.099 1052 M HA -0.141 4.340 4.480 0.001 0.000 0.262 1052 M C 2.520 178.825 176.300 0.008 0.000 1.067 1052 M CA 1.444 56.763 55.300 0.032 0.000 1.124 1052 M CB -0.428 32.233 32.600 0.101 0.000 1.353 1052 M HN 0.480 nan 8.290 nan 0.000 0.410 1053 A N 0.256 123.068 122.820 -0.012 0.000 2.131 1053 A HA -0.131 4.190 4.320 0.001 0.000 0.220 1053 A C 2.012 179.590 177.584 -0.009 0.000 1.158 1053 A CA 1.205 53.252 52.037 0.017 0.000 0.665 1053 A CB -0.942 18.143 19.000 0.142 0.000 0.795 1053 A HN 0.484 nan 8.150 nan 0.000 0.460 1054 L N -0.837 120.375 121.223 -0.018 0.000 2.141 1054 L HA -0.192 4.149 4.340 0.001 0.000 0.209 1054 L C 1.915 178.792 176.870 0.012 0.000 1.094 1054 L CA 1.489 56.327 54.840 -0.003 0.000 0.763 1054 L CB -0.550 41.516 42.059 0.013 0.000 0.908 1054 L HN 0.476 nan 8.230 nan 0.000 0.437 1055 N N -0.306 118.403 118.700 0.014 0.000 2.573 1055 N HA 0.039 4.780 4.740 0.001 0.000 0.187 1055 N C 0.381 175.896 175.510 0.008 0.000 1.107 1055 N CA 0.252 53.313 53.050 0.019 0.000 0.918 1055 N CB 0.137 38.642 38.487 0.029 0.000 0.966 1055 N HN 0.280 nan 8.380 nan 0.000 0.448 1056 A N 0.123 122.940 122.820 -0.005 0.000 2.350 1056 A HA 0.460 4.780 4.320 0.001 0.000 0.318 1056 A C -1.272 176.290 177.584 -0.037 0.000 1.132 1056 A CA -0.584 51.442 52.037 -0.017 0.000 0.811 1056 A CB 1.278 20.265 19.000 -0.022 0.000 1.313 1056 A HN 0.012 nan 8.150 nan 0.000 0.454 1057 D N 0.457 120.828 120.400 -0.047 0.000 2.462 1057 D HA 0.540 5.181 4.640 0.001 0.000 0.245 1057 D C 0.696 176.942 176.300 -0.090 0.000 1.122 1057 D CA 0.201 54.158 54.000 -0.072 0.000 0.864 1057 D CB 1.513 42.273 40.800 -0.066 0.000 1.098 1057 D HN 0.479 nan 8.370 nan 0.000 0.541 1058 A N 2.640 125.389 122.820 -0.119 0.000 2.121 1058 A HA -0.075 4.245 4.320 0.001 0.000 0.218 1058 A C 1.833 179.327 177.584 -0.150 0.000 1.154 1058 A CA 1.757 53.714 52.037 -0.133 0.000 0.679 1058 A CB -0.433 18.474 19.000 -0.156 0.000 0.795 1058 A HN 0.603 nan 8.150 nan 0.000 0.458 1059 T N -3.266 111.187 114.554 -0.169 0.000 3.065 1059 T HA 0.066 4.417 4.350 0.001 0.000 0.252 1059 T C 1.468 176.087 174.700 -0.134 0.000 1.099 1059 T CA 0.899 62.890 62.100 -0.182 0.000 1.063 1059 T CB -0.021 68.701 68.868 -0.242 0.000 0.948 1059 T HN 0.542 nan 8.240 nan 0.000 0.506 1060 E N 1.948 122.087 120.200 -0.102 0.000 2.007 1060 E HA -0.129 4.222 4.350 0.001 0.000 0.203 1060 E C 0.813 177.373 176.600 -0.066 0.000 1.020 1060 E CA 1.143 57.499 56.400 -0.073 0.000 0.845 1060 E CB 0.058 29.728 29.700 -0.050 0.000 0.779 1060 E HN 0.652 nan 8.360 nan 0.000 0.466 1061 K N -0.028 120.337 120.400 -0.057 0.000 2.259 1061 K HA 0.388 4.709 4.320 0.001 0.000 0.249 1061 K C -1.184 175.386 176.600 -0.050 0.000 0.942 1061 K CA -0.696 55.564 56.287 -0.046 0.000 0.816 1061 K CB 2.154 34.641 32.500 -0.021 0.000 1.155 1061 K HN 0.083 nan 8.250 nan 0.000 0.428 1062 V N 1.931 121.821 119.914 -0.040 0.000 2.656 1062 V HA 0.680 4.801 4.120 0.001 0.000 0.307 1062 V C -0.663 175.507 176.094 0.126 0.000 1.051 1062 V CA -0.840 61.456 62.300 -0.007 0.000 0.893 1062 V CB 1.321 33.051 31.823 -0.155 0.000 0.999 1062 V HN 0.921 nan 8.190 nan 0.000 0.426 1063 I N 3.775 124.456 120.570 0.185 0.000 2.828 1063 I HA 0.749 4.920 4.170 0.001 0.000 0.302 1063 I C 0.328 176.414 176.117 -0.050 0.000 1.101 1063 I CA -0.274 61.091 61.300 0.109 0.000 1.031 1063 I CB 2.621 40.587 38.000 -0.057 0.000 1.231 1063 I HN 1.073 nan 8.210 nan 0.000 0.427 1064 S N 4.439 119.918 115.700 -0.368 0.000 2.693 1064 S HA 0.333 4.803 4.470 0.001 0.000 0.276 1064 S C 0.790 175.118 174.600 -0.453 0.000 1.192 1064 S CA -0.666 57.070 58.200 -0.773 0.000 0.994 1064 S CB 1.768 64.466 63.200 -0.836 0.000 1.012 1064 S HN 0.476 nan 8.310 nan 0.000 0.550 1065 V N 1.554 121.197 119.914 -0.451 0.000 2.548 1065 V HA -0.116 4.005 4.120 0.001 0.000 0.249 1065 V C 2.643 178.465 176.094 -0.452 0.000 1.055 1065 V CA 1.746 63.763 62.300 -0.472 0.000 1.065 1065 V CB -1.331 30.251 31.823 -0.401 0.000 0.681 1065 V HN 0.803 nan 8.190 nan 0.000 0.462 1066 Q N 0.386 120.015 119.800 -0.285 0.000 2.050 1066 Q HA -0.196 4.144 4.340 0.001 0.000 0.202 1066 Q C 2.234 178.179 176.000 -0.092 0.000 0.980 1066 Q CA 1.921 57.637 55.803 -0.145 0.000 0.840 1066 Q CB -0.298 28.372 28.738 -0.114 0.000 0.898 1066 Q HN 0.696 nan 8.270 nan 0.000 0.424 1067 E N -0.146 119.976 120.200 -0.131 0.000 2.051 1067 E HA -0.185 4.165 4.350 0.001 0.000 0.192 1067 E C 1.973 178.558 176.600 -0.025 0.000 0.991 1067 E CA 1.313 57.672 56.400 -0.068 0.000 0.799 1067 E CB -0.152 29.500 29.700 -0.080 0.000 0.748 1067 E HN 0.347 nan 8.360 nan 0.000 0.449 1068 M N -0.104 119.437 119.600 -0.099 0.000 2.065 1068 M HA -0.207 4.274 4.480 0.001 0.000 0.259 1068 M C 2.131 178.580 176.300 0.248 0.000 1.069 1068 M CA 1.746 57.046 55.300 0.000 0.000 1.110 1068 M CB -0.608 31.833 32.600 -0.266 0.000 1.328 1068 M HN 0.239 nan 8.290 nan 0.000 0.405 1069 H N -0.499 118.612 119.070 0.068 0.000 2.422 1069 H HA -0.094 4.462 4.556 0.001 0.000 0.298 1069 H C 2.153 177.509 175.328 0.045 0.000 1.098 1069 H CA 0.766 56.851 56.048 0.063 0.000 1.315 1069 H CB -0.046 29.732 29.762 0.026 0.000 1.382 1069 H HN 0.487 nan 8.280 nan 0.000 0.523 1070 A N 0.798 123.711 122.820 0.156 0.000 2.015 1070 A HA -0.166 4.155 4.320 0.001 0.000 0.219 1070 A C 2.092 179.724 177.584 0.080 0.000 1.163 1070 A CA 1.095 53.185 52.037 0.089 0.000 0.646 1070 A CB -0.206 18.826 19.000 0.054 0.000 0.806 1070 A HN 0.448 nan 8.150 nan 0.000 0.448 1071 Q N -0.424 119.444 119.800 0.113 0.000 2.436 1071 Q HA 0.095 4.436 4.340 0.001 0.000 0.209 1071 Q C -0.163 175.871 176.000 0.057 0.000 0.965 1071 Q CA 0.100 55.964 55.803 0.101 0.000 0.910 1071 Q CB -0.104 28.738 28.738 0.173 0.000 0.980 1071 Q HN 0.665 nan 8.270 nan 0.000 0.491 1072 I N 1.816 122.418 120.570 0.053 0.000 2.416 1072 I HA 0.088 4.259 4.170 0.001 0.000 0.288 1072 I C 0.204 176.312 176.117 -0.015 0.000 1.051 1072 I CA -0.283 61.011 61.300 -0.009 0.000 1.375 1072 I CB 0.618 38.603 38.000 -0.024 0.000 1.407 1072 I HN -0.169 nan 8.210 nan 0.000 0.516 1073 K N 0.000 120.381 120.400 -0.032 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.272 56.287 -0.026 0.000 0.838 1073 K CB 0.000 32.485 32.500 -0.026 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543