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 2xwj_1_E DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.556 174.600 -0.074 0.000 1.055 1 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 1 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 2 P HA 0.386 nan 4.420 nan 0.000 0.269 2 P C -0.860 176.245 177.300 -0.325 0.000 1.217 2 P CA -0.276 62.668 63.100 -0.260 0.000 0.783 2 P CB 0.294 31.813 31.700 -0.302 0.000 0.898 3 M N 2.332 121.656 119.600 -0.460 0.000 2.213 3 M HA 0.340 4.820 4.480 -0.000 0.000 0.286 3 M C -1.904 174.105 176.300 -0.486 0.000 1.008 3 M CA -0.657 54.452 55.300 -0.319 0.000 0.937 3 M CB 1.083 33.641 32.600 -0.070 0.000 1.600 3 M HN 0.236 nan 8.290 nan 0.000 0.450 4 Y N 2.587 122.748 120.300 -0.232 0.000 2.331 4 Y HA 0.545 5.095 4.550 -0.000 0.000 0.338 4 Y C 0.423 176.130 175.900 -0.321 0.000 0.976 4 Y CA -0.442 57.334 58.100 -0.541 0.000 1.137 4 Y CB 1.526 39.265 38.460 -1.202 0.000 1.172 4 Y HN 0.670 nan 8.280 nan 0.000 0.478 5 S N 3.010 118.691 115.700 -0.031 0.000 2.664 5 S HA 0.855 5.325 4.470 -0.000 0.000 0.304 5 S C -1.222 173.422 174.600 0.073 0.000 1.099 5 S CA -0.698 57.510 58.200 0.014 0.000 1.003 5 S CB 2.294 65.655 63.200 0.269 0.000 1.092 5 S HN 0.539 nan 8.310 nan 0.000 0.525 6 I N 0.338 120.868 120.570 -0.067 0.000 2.722 6 I HA 0.596 4.766 4.170 -0.000 0.000 0.292 6 I C -1.970 174.128 176.117 -0.033 0.000 1.267 6 I CA -1.126 60.201 61.300 0.044 0.000 1.036 6 I CB 1.666 39.714 38.000 0.080 0.000 1.281 6 I HN 0.867 nan 8.210 nan 0.000 0.423 7 I N 6.721 127.354 120.570 0.104 0.000 2.478 7 I HA 0.594 4.764 4.170 -0.000 0.000 0.287 7 I C -0.700 175.502 176.117 0.142 0.000 1.042 7 I CA -0.427 60.953 61.300 0.133 0.000 1.067 7 I CB 2.121 40.279 38.000 0.264 0.000 1.233 7 I HN 0.681 nan 8.210 nan 0.000 0.431 8 T N 2.780 117.406 114.554 0.120 0.000 2.903 8 T HA 0.569 4.919 4.350 -0.000 0.000 0.299 8 T C -2.972 171.800 174.700 0.120 0.000 1.093 8 T CA -2.395 59.783 62.100 0.131 0.000 1.002 8 T CB 2.058 71.015 68.868 0.148 0.000 1.127 8 T HN 0.091 nan 8.240 nan 0.000 0.488 9 P HA 0.169 nan 4.420 nan 0.000 0.267 9 P C 0.660 178.009 177.300 0.081 0.000 1.201 9 P CA -0.149 63.006 63.100 0.092 0.000 0.775 9 P CB 0.417 32.150 31.700 0.054 0.000 0.854 10 N N 1.064 119.813 118.700 0.082 0.000 2.094 10 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 10 N C 0.493 176.029 175.510 0.043 0.000 1.023 10 N CA 1.436 54.528 53.050 0.070 0.000 0.857 10 N CB -0.331 38.198 38.487 0.070 0.000 1.013 10 N HN 0.435 nan 8.380 nan 0.000 0.426 11 I N 0.919 121.498 120.570 0.014 0.000 2.447 11 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 11 I C -0.626 175.462 176.117 -0.049 0.000 1.023 11 I CA -0.561 60.720 61.300 -0.032 0.000 1.083 11 I CB 2.110 40.073 38.000 -0.062 0.000 1.245 11 I HN -0.188 nan 8.210 nan 0.000 0.434 12 L N 6.115 127.312 121.223 -0.044 0.000 2.350 12 L HA 0.498 4.837 4.340 -0.000 0.000 0.275 12 L C 0.203 177.005 176.870 -0.113 0.000 1.099 12 L CA -0.532 54.280 54.840 -0.047 0.000 0.808 12 L CB 0.772 42.854 42.059 0.039 0.000 1.149 12 L HN 0.549 nan 8.230 nan 0.000 0.442 13 R N 2.389 122.804 120.500 -0.142 0.000 2.668 13 R HA 0.638 4.978 4.340 -0.000 0.000 0.279 13 R C -0.864 175.349 176.300 -0.144 0.000 0.976 13 R CA -0.843 55.151 56.100 -0.175 0.000 0.978 13 R CB 1.495 31.652 30.300 -0.238 0.000 1.133 13 R HN 0.446 nan 8.270 nan 0.000 0.484 14 L N 1.658 122.792 121.223 -0.148 0.000 2.399 14 L HA 0.209 4.549 4.340 -0.000 0.000 0.266 14 L C 0.382 177.196 176.870 -0.094 0.000 1.114 14 L CA -0.144 54.607 54.840 -0.149 0.000 0.804 14 L CB 0.607 42.550 42.059 -0.194 0.000 1.146 14 L HN 0.739 nan 8.230 nan 0.000 0.451 15 E N 0.226 120.381 120.200 -0.076 0.000 2.389 15 E HA -0.208 4.142 4.350 -0.000 0.000 0.243 15 E C -0.563 176.013 176.600 -0.040 0.000 1.154 15 E CA 0.586 56.959 56.400 -0.045 0.000 0.723 15 E CB -1.139 28.538 29.700 -0.038 0.000 1.261 15 E HN 0.724 nan 8.360 nan 0.000 0.390 16 S N -1.297 114.368 115.700 -0.059 0.000 2.672 16 S HA 0.514 4.984 4.470 -0.000 0.000 0.271 16 S C -0.956 173.574 174.600 -0.118 0.000 1.171 16 S CA -1.234 56.926 58.200 -0.066 0.000 0.817 16 S CB 1.872 65.038 63.200 -0.056 0.000 1.150 16 S HN 0.130 nan 8.310 nan 0.000 0.478 17 E N 0.894 121.015 120.200 -0.131 0.000 2.092 17 E HA 0.374 4.724 4.350 -0.000 0.000 0.271 17 E C -0.978 175.458 176.600 -0.273 0.000 0.919 17 E CA -0.638 55.638 56.400 -0.207 0.000 0.760 17 E CB 1.133 30.754 29.700 -0.131 0.000 1.106 17 E HN 0.406 nan 8.360 nan 0.000 0.408 18 E N 2.077 121.974 120.200 -0.504 0.000 2.216 18 E HA 0.214 4.564 4.350 -0.000 0.000 0.279 18 E C -0.379 175.962 176.600 -0.431 0.000 0.997 18 E CA -0.392 55.732 56.400 -0.459 0.000 0.817 18 E CB 1.725 31.118 29.700 -0.513 0.000 1.096 18 E HN 0.293 nan 8.360 nan 0.000 0.393 19 T N 2.676 117.124 114.554 -0.177 0.000 2.907 19 T HA 0.331 4.681 4.350 -0.000 0.000 0.298 19 T C 0.382 175.101 174.700 0.033 0.000 1.017 19 T CA -0.098 61.964 62.100 -0.063 0.000 1.118 19 T CB 0.419 69.281 68.868 -0.011 0.000 0.948 19 T HN 0.287 nan 8.240 nan 0.000 0.531 20 M N 3.756 123.418 119.600 0.104 0.000 2.093 20 M HA 0.409 4.889 4.480 -0.000 0.000 0.297 20 M C -1.489 174.897 176.300 0.144 0.000 0.938 20 M CA -0.731 54.678 55.300 0.181 0.000 0.920 20 M CB 0.906 33.685 32.600 0.298 0.000 1.517 20 M HN 0.303 nan 8.290 nan 0.000 0.427 21 V N 6.568 126.573 119.914 0.152 0.000 2.408 21 V HA 0.319 4.439 4.120 -0.000 0.000 0.267 21 V C -0.062 176.147 176.094 0.192 0.000 1.047 21 V CA -0.336 62.059 62.300 0.158 0.000 0.937 21 V CB 0.672 32.602 31.823 0.178 0.000 0.999 21 V HN 0.772 nan 8.190 nan 0.000 0.472 22 L N 5.623 126.960 121.223 0.189 0.000 2.309 22 L HA 0.674 5.014 4.340 -0.000 0.000 0.282 22 L C 0.142 177.156 176.870 0.240 0.000 1.036 22 L CA -0.244 54.757 54.840 0.268 0.000 0.806 22 L CB 1.468 43.681 42.059 0.256 0.000 1.220 22 L HN 0.642 nan 8.230 nan 0.000 0.429 23 E N 1.540 121.887 120.200 0.244 0.000 2.446 23 E HA 0.833 5.183 4.350 -0.000 0.000 0.276 23 E C -1.436 175.082 176.600 -0.138 0.000 0.969 23 E CA -1.065 55.370 56.400 0.058 0.000 0.800 23 E CB 2.694 32.496 29.700 0.169 0.000 1.341 23 E HN 0.598 nan 8.360 nan 0.000 0.460 24 A N 1.724 124.251 122.820 -0.487 0.000 2.465 24 A HA 0.509 4.829 4.320 -0.000 0.000 0.292 24 A C -1.671 175.407 177.584 -0.843 0.000 1.041 24 A CA -0.696 50.993 52.037 -0.581 0.000 0.718 24 A CB 0.951 19.780 19.000 -0.285 0.000 1.266 24 A HN 0.629 nan 8.150 nan 0.000 0.403 25 H N 2.781 121.684 119.070 -0.280 0.000 2.991 25 H HA 0.310 4.866 4.556 -0.000 0.000 0.304 25 H C -0.937 174.264 175.328 -0.213 0.000 1.040 25 H CA -0.537 55.424 56.048 -0.145 0.000 1.410 25 H CB 1.612 31.381 29.762 0.012 0.000 1.529 25 H HN 0.700 nan 8.280 nan 0.000 0.509 26 D N 1.622 121.941 120.400 -0.135 0.000 2.995 26 D HA 0.273 4.913 4.640 -0.000 0.000 0.289 26 D C 1.142 177.219 176.300 -0.371 0.000 1.116 26 D CA 1.046 54.929 54.000 -0.193 0.000 0.994 26 D CB 0.342 41.105 40.800 -0.062 0.000 1.209 26 D HN 0.756 nan 8.370 nan 0.000 0.458 27 A N 0.073 122.751 122.820 -0.237 0.000 5.100 27 A HA -0.182 4.138 4.320 -0.000 0.000 0.533 27 A C -0.355 177.146 177.584 -0.137 0.000 1.142 27 A CA 0.545 52.475 52.037 -0.177 0.000 0.463 27 A CB -0.926 17.965 19.000 -0.182 0.000 3.021 27 A HN 0.191 nan 8.150 nan 0.000 0.487 28 Q N -0.770 119.027 119.800 -0.006 0.000 2.544 28 Q HA 0.633 4.973 4.340 -0.000 0.000 0.291 28 Q C 0.423 176.501 176.000 0.130 0.000 1.068 28 Q CA -0.297 55.556 55.803 0.084 0.000 0.785 28 Q CB 2.021 30.793 28.738 0.056 0.000 1.481 28 Q HN 2.886 nan 8.270 nan 0.000 0.430 29 G N 1.101 109.984 108.800 0.137 0.000 2.698 29 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.233 29 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.233 29 G C -1.278 173.695 174.900 0.121 0.000 1.352 29 G CA -0.455 44.705 45.100 0.100 0.000 0.879 29 G HN 0.587 nan 8.290 nan 0.000 0.567 30 D N -0.310 120.139 120.400 0.081 0.000 2.210 30 D HA 0.483 5.123 4.640 -0.000 0.000 0.249 30 D C -0.000 176.361 176.300 0.103 0.000 1.078 30 D CA 0.163 54.209 54.000 0.076 0.000 0.875 30 D CB 1.879 42.703 40.800 0.040 0.000 1.175 30 D HN 0.874 nan 8.370 nan 0.000 0.440 31 V N 3.793 123.786 119.914 0.132 0.000 2.357 31 V HA 0.357 4.477 4.120 -0.000 0.000 0.281 31 V C -2.683 173.477 176.094 0.110 0.000 1.015 31 V CA -2.146 60.243 62.300 0.149 0.000 0.827 31 V CB 1.634 33.609 31.823 0.253 0.000 1.018 31 V HN 0.318 nan 8.190 nan 0.000 0.432 32 P HA 0.227 nan 4.420 nan 0.000 0.266 32 P C -1.042 176.232 177.300 -0.043 0.000 1.195 32 P CA 0.227 63.330 63.100 0.005 0.000 0.768 32 P CB 0.868 32.563 31.700 -0.009 0.000 0.838 33 V N 2.442 122.301 119.914 -0.093 0.000 2.525 33 V HA 0.415 4.535 4.120 -0.000 0.000 0.299 33 V C -0.080 175.889 176.094 -0.207 0.000 1.034 33 V CA -0.552 61.606 62.300 -0.236 0.000 0.863 33 V CB 1.995 33.642 31.823 -0.293 0.000 0.999 33 V HN 0.640 nan 8.190 nan 0.000 0.423 34 T N 1.430 115.841 114.554 -0.238 0.000 2.893 34 T HA 0.607 4.957 4.350 -0.000 0.000 0.324 34 T C -0.507 174.069 174.700 -0.207 0.000 1.082 34 T CA -0.588 61.407 62.100 -0.175 0.000 0.983 34 T CB 0.965 69.758 68.868 -0.125 0.000 1.005 34 T HN 0.254 nan 8.240 nan 0.000 0.475 35 V N 4.454 124.251 119.914 -0.196 0.000 2.488 35 V HA 0.416 4.536 4.120 -0.000 0.000 0.277 35 V C 0.454 176.417 176.094 -0.219 0.000 1.046 35 V CA -0.090 62.082 62.300 -0.214 0.000 0.986 35 V CB 0.912 32.623 31.823 -0.187 0.000 0.989 35 V HN 1.048 nan 8.190 nan 0.000 0.475 36 T N 4.664 119.070 114.554 -0.246 0.000 2.881 36 T HA 0.485 4.835 4.350 -0.000 0.000 0.291 36 T C -0.515 173.917 174.700 -0.447 0.000 0.990 36 T CA -0.405 61.501 62.100 -0.323 0.000 0.976 36 T CB 1.632 70.343 68.868 -0.261 0.000 0.970 36 T HN 0.291 nan 8.240 nan 0.000 0.438 37 V N 4.649 124.260 119.914 -0.505 0.000 2.347 37 V HA 0.425 4.545 4.120 -0.000 0.000 0.280 37 V C -0.385 175.466 176.094 -0.405 0.000 1.021 37 V CA -0.742 61.303 62.300 -0.426 0.000 0.847 37 V CB 0.639 32.198 31.823 -0.441 0.000 0.990 37 V HN 0.883 nan 8.190 nan 0.000 0.444 38 H N 1.756 120.816 119.070 -0.018 0.000 2.630 38 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 38 H C -0.108 175.288 175.328 0.114 0.000 1.232 38 H CA -0.858 55.214 56.048 0.041 0.000 1.294 38 H CB 0.933 30.716 29.762 0.034 0.000 1.746 38 H HN 0.742 nan 8.280 nan 0.000 0.593 39 D N -0.217 120.352 120.400 0.282 0.000 2.469 39 D HA 0.239 4.879 4.640 -0.000 0.000 0.278 39 D C -0.666 175.839 176.300 0.341 0.000 1.231 39 D CA -0.448 53.724 54.000 0.286 0.000 1.075 39 D CB 0.730 41.619 40.800 0.150 0.000 1.121 39 D HN 0.390 nan 8.370 nan 0.000 0.571 40 F N -1.214 118.806 119.950 0.117 0.000 2.669 40 F HA 0.410 4.937 4.527 -0.000 0.000 0.315 40 F C -2.890 172.955 175.800 0.075 0.000 1.109 40 F CA -1.371 56.686 58.000 0.096 0.000 1.028 40 F CB 0.958 40.046 39.000 0.147 0.000 1.287 40 F HN 0.158 nan 8.300 nan 0.000 0.452 41 P HA 0.634 nan 4.420 nan 0.000 0.275 41 P C -0.311 176.896 177.300 -0.156 0.000 1.266 41 P CA 0.639 63.298 63.100 -0.735 0.000 0.793 41 P CB 0.599 31.884 31.700 -0.691 0.000 1.074 42 G N 0.006 108.789 108.800 -0.027 0.000 2.728 42 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 42 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 42 G C -0.386 174.526 174.900 0.020 0.000 1.337 42 G CA -0.498 44.594 45.100 -0.014 0.000 0.861 42 G HN 0.713 nan 8.290 nan 0.000 0.597 43 K N 0.779 121.161 120.400 -0.030 0.000 3.001 43 K HA 0.191 4.511 4.320 -0.000 0.000 0.257 43 K C 0.849 177.429 176.600 -0.034 0.000 1.290 43 K CA -0.289 55.940 56.287 -0.096 0.000 1.252 43 K CB -0.253 32.113 32.500 -0.223 0.000 1.656 43 K HN 0.462 nan 8.250 nan 0.000 0.351 44 K N 3.987 124.408 120.400 0.034 0.000 2.110 44 K HA 0.074 4.394 4.320 -0.000 0.000 0.260 44 K C 0.014 176.686 176.600 0.121 0.000 1.126 44 K CA -0.384 55.932 56.287 0.047 0.000 1.005 44 K CB -0.087 32.420 32.500 0.012 0.000 1.336 44 K HN 0.439 nan 8.250 nan 0.000 0.369 45 L N 1.587 122.906 121.223 0.160 0.000 2.417 45 L HA 0.590 4.930 4.340 -0.000 0.000 0.268 45 L C -0.440 176.487 176.870 0.095 0.000 1.158 45 L CA -0.803 54.167 54.840 0.216 0.000 0.819 45 L CB 1.276 43.500 42.059 0.274 0.000 1.112 45 L HN 0.219 nan 8.230 nan 0.000 0.458 46 V N 3.864 123.815 119.914 0.061 0.000 2.888 46 V HA 0.332 4.452 4.120 -0.000 0.000 0.309 46 V C 0.405 176.504 176.094 0.009 0.000 1.114 46 V CA -0.585 61.728 62.300 0.022 0.000 0.940 46 V CB 2.240 34.042 31.823 -0.034 0.000 1.021 46 V HN 0.968 nan 8.190 nan 0.000 0.426 47 L N 2.984 124.198 121.223 -0.015 0.000 2.013 47 L HA 0.325 4.665 4.340 -0.000 0.000 0.204 47 L C 0.521 177.392 176.870 0.000 0.000 1.081 47 L CA 0.873 55.730 54.840 0.028 0.000 0.751 47 L CB -0.099 41.992 42.059 0.054 0.000 0.901 47 L HN 0.664 nan 8.230 nan 0.000 0.440 48 S N -1.064 114.598 115.700 -0.063 0.000 2.572 48 S HA 0.390 4.860 4.470 -0.000 0.000 0.274 48 S C -0.881 173.646 174.600 -0.122 0.000 1.150 48 S CA -0.496 57.680 58.200 -0.040 0.000 0.944 48 S CB 2.315 65.556 63.200 0.067 0.000 1.071 48 S HN 0.145 nan 8.310 nan 0.000 0.479 49 S N 2.305 117.959 115.700 -0.077 0.000 2.519 49 S HA 0.651 5.121 4.470 -0.000 0.000 0.309 49 S C -1.289 173.279 174.600 -0.053 0.000 1.100 49 S CA -0.557 57.583 58.200 -0.099 0.000 1.059 49 S CB 0.566 63.713 63.200 -0.089 0.000 1.008 49 S HN 0.602 nan 8.310 nan 0.000 0.478 50 E N 2.787 122.949 120.200 -0.063 0.000 2.336 50 E HA 0.564 4.913 4.350 -0.000 0.000 0.267 50 E C -1.063 175.506 176.600 -0.052 0.000 0.906 50 E CA -0.807 55.575 56.400 -0.029 0.000 0.781 50 E CB 1.999 31.708 29.700 0.015 0.000 1.261 50 E HN 0.599 nan 8.360 nan 0.000 0.436 51 K N 0.173 120.551 120.400 -0.036 0.000 2.469 51 K HA 0.708 5.028 4.320 -0.000 0.000 0.254 51 K C -0.687 175.895 176.600 -0.030 0.000 0.939 51 K CA -0.685 55.574 56.287 -0.046 0.000 0.812 51 K CB 2.543 35.020 32.500 -0.040 0.000 1.301 51 K HN 0.458 nan 8.250 nan 0.000 0.433 52 T N -0.091 114.441 114.554 -0.036 0.000 2.775 52 T HA 0.417 4.767 4.350 -0.000 0.000 0.320 52 T C -1.966 172.728 174.700 -0.011 0.000 1.597 52 T CA -0.575 61.515 62.100 -0.016 0.000 1.022 52 T CB 1.422 70.287 68.868 -0.004 0.000 1.485 52 T HN 0.189 nan 8.240 nan 0.000 0.494 53 V N 3.393 123.310 119.914 0.005 0.000 2.588 53 V HA 0.527 4.647 4.120 -0.000 0.000 0.304 53 V C -0.275 175.837 176.094 0.030 0.000 1.042 53 V CA -0.870 61.441 62.300 0.019 0.000 0.877 53 V CB 1.730 33.560 31.823 0.011 0.000 0.996 53 V HN 0.773 nan 8.190 nan 0.000 0.425 54 L N 4.275 125.539 121.223 0.068 0.000 2.312 54 L HA 0.378 4.718 4.340 -0.000 0.000 0.287 54 L C 0.329 177.184 176.870 -0.025 0.000 1.091 54 L CA 0.138 55.017 54.840 0.066 0.000 0.846 54 L CB 0.621 42.799 42.059 0.199 0.000 1.219 54 L HN 0.632 nan 8.230 nan 0.000 0.439 55 T N 4.170 118.656 114.554 -0.113 0.000 2.799 55 T HA 0.204 4.554 4.350 -0.000 0.000 0.286 55 T C -1.626 172.837 174.700 -0.395 0.000 0.973 55 T CA -1.215 60.777 62.100 -0.180 0.000 1.035 55 T CB 1.776 70.584 68.868 -0.101 0.000 0.932 55 T HN 0.294 nan 8.240 nan 0.000 0.469 56 P HA -0.080 nan 4.420 nan 0.000 0.222 56 P C 1.231 178.368 177.300 -0.272 0.000 1.142 56 P CA 0.497 63.246 63.100 -0.584 0.000 0.788 56 P CB 0.068 31.644 31.700 -0.206 0.000 0.767 57 A N -0.530 122.183 122.820 -0.179 0.000 2.067 57 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 57 A C 1.837 179.363 177.584 -0.097 0.000 1.158 57 A CA 1.980 53.956 52.037 -0.102 0.000 0.661 57 A CB -1.483 17.476 19.000 -0.069 0.000 0.801 57 A HN 0.340 nan 8.150 nan 0.000 0.452 58 T N -4.140 110.335 114.554 -0.133 0.000 3.214 58 T HA 0.219 4.569 4.350 -0.000 0.000 0.264 58 T C 0.367 175.000 174.700 -0.113 0.000 1.012 58 T CA 0.314 62.356 62.100 -0.096 0.000 0.901 58 T CB -0.909 67.915 68.868 -0.072 0.000 1.070 58 T HN 0.608 nan 8.240 nan 0.000 0.561 59 N N 2.327 120.939 118.700 -0.147 0.000 2.714 59 N HA -0.265 4.475 4.740 -0.000 0.000 0.250 59 N C -0.892 174.574 175.510 -0.073 0.000 1.117 59 N CA 0.584 53.561 53.050 -0.121 0.000 0.719 59 N CB -1.338 37.069 38.487 -0.134 0.000 1.081 59 N HN 0.752 nan 8.380 nan 0.000 0.557 60 H N -2.140 116.860 119.070 -0.116 0.000 2.794 60 H HA -0.163 4.393 4.556 -0.000 0.000 0.334 60 H C -0.438 174.835 175.328 -0.092 0.000 1.154 60 H CA 1.462 57.449 56.048 -0.102 0.000 1.129 60 H CB -1.286 28.381 29.762 -0.158 0.000 1.600 60 H HN 0.421 nan 8.280 nan 0.000 0.410 61 M N 0.659 120.267 119.600 0.015 0.000 2.327 61 M HA 0.437 4.917 4.480 -0.000 0.000 0.298 61 M C 0.715 177.045 176.300 0.050 0.000 1.065 61 M CA -0.362 54.959 55.300 0.034 0.000 0.916 61 M CB 2.611 35.214 32.600 0.004 0.000 1.630 61 M HN 0.389 nan 8.290 nan 0.000 0.442 62 G N 1.098 109.949 108.800 0.086 0.000 2.410 62 G HA2 0.496 4.456 3.960 -0.000 0.000 0.330 62 G HA3 0.496 4.456 3.960 -0.000 0.000 0.330 62 G C -0.795 174.145 174.900 0.067 0.000 1.142 62 G CA -0.259 44.887 45.100 0.078 0.000 0.902 62 G HN 0.664 nan 8.290 nan 0.000 0.491 63 N N 0.383 119.114 118.700 0.051 0.000 2.726 63 N HA 0.212 4.952 4.740 -0.000 0.000 0.253 63 N C -0.605 174.933 175.510 0.046 0.000 1.530 63 N CA -0.449 52.629 53.050 0.047 0.000 0.772 63 N CB 1.105 39.611 38.487 0.032 0.000 1.220 63 N HN 0.487 nan 8.380 nan 0.000 0.508 64 V N -0.157 119.796 119.914 0.065 0.000 2.472 64 V HA 0.837 4.957 4.120 -0.000 0.000 0.290 64 V C 0.231 176.386 176.094 0.101 0.000 1.037 64 V CA -0.593 61.754 62.300 0.078 0.000 0.908 64 V CB 1.092 32.965 31.823 0.083 0.000 0.985 64 V HN 0.439 nan 8.190 nan 0.000 0.454 65 T N 2.806 117.402 114.554 0.070 0.000 2.815 65 T HA 0.747 5.097 4.350 -0.000 0.000 0.289 65 T C -0.705 174.012 174.700 0.029 0.000 1.000 65 T CA -0.439 61.654 62.100 -0.012 0.000 0.958 65 T CB 0.845 69.676 68.868 -0.060 0.000 0.944 65 T HN 0.997 nan 8.240 nan 0.000 0.442 66 F N 0.198 120.138 119.950 -0.017 0.000 2.470 66 F HA 0.817 5.344 4.527 -0.000 0.000 0.329 66 F C -0.236 175.551 175.800 -0.023 0.000 1.072 66 F CA -1.181 56.805 58.000 -0.023 0.000 0.989 66 F CB 1.175 40.156 39.000 -0.032 0.000 1.193 66 F HN 0.390 nan 8.300 nan 0.000 0.481 67 T N 4.326 118.949 114.554 0.115 0.000 2.874 67 T HA 0.448 4.798 4.350 -0.000 0.000 0.321 67 T C 0.030 174.790 174.700 0.100 0.000 1.075 67 T CA -0.340 61.777 62.100 0.029 0.000 0.966 67 T CB 0.015 68.889 68.868 0.009 0.000 1.001 67 T HN 0.483 nan 8.240 nan 0.000 0.476 68 I N 5.147 125.780 120.570 0.105 0.000 2.556 68 I HA 0.183 4.353 4.170 -0.000 0.000 0.284 68 I C -1.857 174.257 176.117 -0.005 0.000 1.114 68 I CA -2.224 59.127 61.300 0.085 0.000 1.418 68 I CB 0.619 38.661 38.000 0.070 0.000 1.394 68 I HN 0.241 nan 8.210 nan 0.000 0.552 69 P HA -0.089 nan 4.420 nan 0.000 0.269 69 P C 0.127 177.380 177.300 -0.078 0.000 1.205 69 P CA 0.361 63.468 63.100 0.011 0.000 0.780 69 P CB 0.450 32.209 31.700 0.098 0.000 0.858 70 A N -0.607 122.190 122.820 -0.038 0.000 2.996 70 A HA -0.177 4.143 4.320 -0.000 0.000 0.257 70 A C 0.121 177.754 177.584 0.082 0.000 1.394 70 A CA 0.506 52.557 52.037 0.024 0.000 0.820 70 A CB -2.709 16.303 19.000 0.019 0.000 1.054 70 A HN 0.568 nan 8.150 nan 0.000 0.619 71 N N -1.380 117.411 118.700 0.150 0.000 2.381 71 N HA 0.611 5.351 4.740 -0.000 0.000 0.294 71 N C 0.655 176.290 175.510 0.208 0.000 1.216 71 N CA -0.458 52.721 53.050 0.215 0.000 0.803 71 N CB 1.171 39.875 38.487 0.362 0.000 1.372 71 N HN 0.378 nan 8.380 nan 0.000 0.500 72 R N 0.328 120.911 120.500 0.140 0.000 2.362 72 R HA 0.163 4.503 4.340 -0.000 0.000 0.227 72 R C 0.015 176.358 176.300 0.070 0.000 0.905 72 R CA 0.264 56.426 56.100 0.103 0.000 1.067 72 R CB 0.349 30.686 30.300 0.063 0.000 1.078 72 R HN 0.442 nan 8.270 nan 0.000 0.516 73 E N -0.086 120.140 120.200 0.043 0.000 2.358 73 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 73 E C -0.398 176.055 176.600 -0.244 0.000 1.010 73 E CA 0.574 56.894 56.400 -0.134 0.000 0.856 73 E CB 0.142 29.692 29.700 -0.251 0.000 0.795 73 E HN 0.225 nan 8.360 nan 0.000 0.504 74 F N 1.868 121.832 119.950 0.022 0.000 2.467 74 F HA 0.249 4.776 4.527 -0.000 0.000 0.349 74 F C 0.744 176.555 175.800 0.019 0.000 1.182 74 F CA -0.134 57.879 58.000 0.022 0.000 1.279 74 F CB 0.290 39.304 39.000 0.023 0.000 1.626 74 F HN -0.369 nan 8.300 nan 0.000 0.596 79 G N 1.347 110.155 108.800 0.015 0.000 2.877 79 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.279 79 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.279 79 G C -0.607 174.313 174.900 0.034 0.000 1.431 79 G CA 0.180 45.291 45.100 0.018 0.000 0.883 79 G HN 0.721 nan 8.290 nan 0.000 0.547 80 R N -1.541 118.986 120.500 0.044 0.000 3.773 80 R HA -0.169 4.171 4.340 -0.000 0.000 0.514 80 R C 0.207 176.557 176.300 0.084 0.000 0.241 80 R CA 1.224 57.369 56.100 0.074 0.000 1.604 80 R CB -1.525 28.823 30.300 0.081 0.000 1.012 80 R HN 1.149 nan 8.270 nan 0.000 0.561 81 N N 0.709 119.493 118.700 0.141 0.000 2.629 81 N HA 0.506 5.246 4.740 -0.000 0.000 0.279 81 N C -1.087 174.517 175.510 0.156 0.000 1.344 81 N CA -0.731 52.377 53.050 0.096 0.000 0.789 81 N CB 1.302 39.820 38.487 0.053 0.000 1.508 81 N HN 0.262 nan 8.380 nan 0.000 0.516 82 K N 0.383 120.786 120.400 0.004 0.000 2.397 82 K HA 0.543 4.863 4.320 -0.000 0.000 0.253 82 K C -1.215 175.383 176.600 -0.003 0.000 0.932 82 K CA -0.394 55.997 56.287 0.173 0.000 0.795 82 K CB 1.643 34.297 32.500 0.258 0.000 1.159 82 K HN 0.291 nan 8.250 nan 0.000 0.424 83 F N 0.768 120.948 119.950 0.384 0.000 2.598 83 F HA 0.569 5.096 4.527 -0.000 0.000 0.327 83 F C -0.153 175.842 175.800 0.325 0.000 1.057 83 F CA -1.057 57.113 58.000 0.283 0.000 0.957 83 F CB 1.875 40.948 39.000 0.122 0.000 1.278 83 F HN 0.174 nan 8.300 nan 0.000 0.484 84 V N -1.719 118.408 119.914 0.355 0.000 2.709 84 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 84 V C -0.586 175.599 176.094 0.152 0.000 1.062 84 V CA -0.747 61.717 62.300 0.273 0.000 0.901 84 V CB 1.144 33.086 31.823 0.198 0.000 1.003 84 V HN 0.709 nan 8.190 nan 0.000 0.425 85 T N 4.189 118.833 114.554 0.149 0.000 2.776 85 T HA 0.359 4.709 4.350 -0.000 0.000 0.292 85 T C 0.111 174.838 174.700 0.044 0.000 0.921 85 T CA -0.013 62.134 62.100 0.078 0.000 1.038 85 T CB 0.440 69.380 68.868 0.121 0.000 0.910 85 T HN 0.664 nan 8.240 nan 0.000 0.536 86 V N 5.234 125.139 119.914 -0.016 0.000 2.405 86 V HA 0.243 4.363 4.120 -0.000 0.000 0.264 86 V C 0.371 176.425 176.094 -0.067 0.000 1.048 86 V CA -0.295 61.950 62.300 -0.091 0.000 0.966 86 V CB 0.739 32.513 31.823 -0.083 0.000 1.015 86 V HN 0.771 nan 8.190 nan 0.000 0.477 87 Q N 3.776 123.524 119.800 -0.087 0.000 2.337 87 Q HA 0.774 5.114 4.340 -0.000 0.000 0.266 87 Q C -0.893 175.034 176.000 -0.122 0.000 1.023 87 Q CA -0.726 55.045 55.803 -0.053 0.000 0.829 87 Q CB 2.110 30.870 28.738 0.038 0.000 1.306 87 Q HN 0.816 nan 8.270 nan 0.000 0.449 88 A N 2.790 125.537 122.820 -0.122 0.000 2.385 88 A HA 0.535 4.855 4.320 -0.000 0.000 0.290 88 A C -0.980 176.394 177.584 -0.351 0.000 1.094 88 A CA -0.538 51.338 52.037 -0.268 0.000 0.729 88 A CB 1.735 20.568 19.000 -0.277 0.000 1.194 88 A HN 0.643 nan 8.150 nan 0.000 0.442 89 T N 2.325 116.642 114.554 -0.395 0.000 2.767 89 T HA 0.489 4.839 4.350 -0.000 0.000 0.288 89 T C -0.672 173.716 174.700 -0.519 0.000 0.963 89 T CA 0.309 62.221 62.100 -0.313 0.000 1.019 89 T CB -0.034 68.732 68.868 -0.171 0.000 0.923 89 T HN 0.345 nan 8.240 nan 0.000 0.468 90 F N 2.993 122.767 119.950 -0.293 0.000 2.461 90 F HA 0.483 5.010 4.527 -0.000 0.000 0.321 90 F C 1.492 177.090 175.800 -0.337 0.000 1.203 90 F CA -0.391 57.361 58.000 -0.413 0.000 1.238 90 F CB -0.010 38.403 39.000 -0.979 0.000 1.528 90 F HN 0.925 nan 8.300 nan 0.000 0.554 91 G N 0.788 109.538 108.800 -0.084 0.000 5.045 91 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.229 91 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.229 91 G C 1.116 175.991 174.900 -0.041 0.000 1.440 91 G CA 0.866 45.941 45.100 -0.041 0.000 0.936 91 G HN 0.373 nan 8.290 nan 0.000 0.690 92 T N 0.037 114.567 114.554 -0.040 0.000 3.176 92 T HA 0.299 4.649 4.350 -0.000 0.000 0.259 92 T C 0.778 175.464 174.700 -0.024 0.000 0.978 92 T CA 0.940 63.027 62.100 -0.021 0.000 1.050 92 T CB 0.236 69.107 68.868 0.004 0.000 1.136 92 T HN 0.557 nan 8.240 nan 0.000 0.465 93 Q N 3.143 122.921 119.800 -0.036 0.000 2.255 93 Q HA 0.285 4.625 4.340 -0.000 0.000 0.280 93 Q C -0.753 175.249 176.000 0.003 0.000 1.068 93 Q CA 0.035 55.830 55.803 -0.013 0.000 0.911 93 Q CB 0.480 29.223 28.738 0.009 0.000 1.157 93 Q HN 0.245 nan 8.270 nan 0.000 0.380 94 V N 6.002 125.932 119.914 0.026 0.000 2.370 94 V HA 0.562 4.682 4.120 -0.000 0.000 0.279 94 V C -1.050 175.085 176.094 0.068 0.000 1.029 94 V CA -0.582 61.738 62.300 0.033 0.000 0.870 94 V CB 1.496 33.319 31.823 0.001 0.000 0.984 94 V HN 0.617 nan 8.190 nan 0.000 0.451 95 V N 8.079 128.066 119.914 0.122 0.000 2.350 95 V HA 0.536 4.656 4.120 -0.000 0.000 0.285 95 V C -0.097 176.029 176.094 0.054 0.000 1.014 95 V CA -0.479 61.889 62.300 0.114 0.000 0.831 95 V CB 1.399 33.355 31.823 0.221 0.000 1.000 95 V HN 1.020 nan 8.190 nan 0.000 0.433 96 E N 3.992 124.198 120.200 0.011 0.000 2.312 96 E HA 0.895 5.245 4.350 -0.000 0.000 0.267 96 E C -1.109 175.470 176.600 -0.035 0.000 0.894 96 E CA -1.329 55.064 56.400 -0.011 0.000 0.773 96 E CB 3.111 32.806 29.700 -0.008 0.000 1.241 96 E HN 0.343 nan 8.360 nan 0.000 0.432 97 K N 1.193 121.568 120.400 -0.042 0.000 2.557 97 K HA 0.300 4.620 4.320 -0.000 0.000 0.257 97 K C -2.058 174.510 176.600 -0.053 0.000 0.933 97 K CA -0.698 55.554 56.287 -0.059 0.000 0.820 97 K CB 2.249 34.710 32.500 -0.066 0.000 1.330 97 K HN 0.452 nan 8.250 nan 0.000 0.432 98 V N 4.012 123.874 119.914 -0.085 0.000 2.465 98 V HA 0.529 4.649 4.120 -0.000 0.000 0.279 98 V C -0.379 175.727 176.094 0.021 0.000 1.045 98 V CA -0.728 61.520 62.300 -0.087 0.000 0.938 98 V CB 1.349 32.998 31.823 -0.290 0.000 0.986 98 V HN 0.532 nan 8.190 nan 0.000 0.467 99 V N 5.488 125.469 119.914 0.112 0.000 2.628 99 V HA 0.448 4.568 4.120 -0.000 0.000 0.306 99 V C -0.101 176.125 176.094 0.220 0.000 1.045 99 V CA -0.834 61.562 62.300 0.159 0.000 0.905 99 V CB 1.899 33.781 31.823 0.099 0.000 0.997 99 V HN 0.710 nan 8.190 nan 0.000 0.436 100 L N 4.711 126.009 121.223 0.126 0.000 2.467 100 L HA 0.485 4.825 4.340 -0.000 0.000 0.270 100 L C -0.279 176.436 176.870 -0.257 0.000 1.205 100 L CA 0.722 55.361 54.840 -0.335 0.000 0.828 100 L CB 1.090 42.985 42.059 -0.273 0.000 1.101 100 L HN 0.460 nan 8.230 nan 0.000 0.479 101 V N 3.246 122.936 119.914 -0.375 0.000 2.735 101 V HA 0.517 4.637 4.120 -0.000 0.000 0.310 101 V C -0.203 175.766 176.094 -0.209 0.000 1.061 101 V CA -0.645 61.522 62.300 -0.221 0.000 0.913 101 V CB 1.665 33.381 31.823 -0.178 0.000 1.005 101 V HN 0.880 nan 8.190 nan 0.000 0.428 102 S N 2.985 118.585 115.700 -0.166 0.000 2.578 102 S HA 0.488 4.958 4.470 -0.000 0.000 0.283 102 S C 0.687 175.228 174.600 -0.098 0.000 1.195 102 S CA -0.717 57.406 58.200 -0.129 0.000 1.050 102 S CB 1.027 64.148 63.200 -0.132 0.000 1.012 102 S HN 0.545 nan 8.310 nan 0.000 0.511 103 L N 2.881 124.069 121.223 -0.058 0.000 2.270 103 L HA 0.170 4.510 4.340 -0.000 0.000 0.210 103 L C 1.234 178.097 176.870 -0.012 0.000 1.104 103 L CA 1.066 55.889 54.840 -0.028 0.000 0.804 103 L CB -1.385 40.671 42.059 -0.005 0.000 0.937 103 L HN 0.745 nan 8.230 nan 0.000 0.450 104 Q N -0.216 119.586 119.800 0.003 0.000 2.304 104 Q HA -0.042 4.298 4.340 -0.000 0.000 0.301 104 Q C 1.046 177.074 176.000 0.046 0.000 1.063 104 Q CA 0.157 55.984 55.803 0.039 0.000 0.947 104 Q CB 0.710 29.515 28.738 0.110 0.000 1.201 104 Q HN 0.118 nan 8.270 nan 0.000 0.389 105 S N 0.693 116.296 115.700 -0.162 0.000 2.475 105 S HA 0.255 4.725 4.470 -0.000 0.000 0.224 105 S C 0.543 174.801 174.600 -0.569 0.000 1.042 105 S CA 0.344 58.313 58.200 -0.385 0.000 0.935 105 S CB 0.669 63.407 63.200 -0.770 0.000 0.801 105 S HN 0.878 nan 8.310 nan 0.000 0.509 106 G N -0.315 108.037 108.800 -0.746 0.000 2.452 106 G HA2 0.399 4.359 3.960 -0.000 0.000 0.224 106 G HA3 0.399 4.359 3.960 -0.000 0.000 0.224 106 G C -2.103 172.494 174.900 -0.505 0.000 1.208 106 G CA -0.843 43.756 45.100 -0.835 0.000 0.946 106 G HN 0.152 nan 8.290 nan 0.000 0.481 107 Y N -0.544 119.713 120.300 -0.071 0.000 2.549 107 Y HA 0.824 5.374 4.550 -0.000 0.000 0.339 107 Y C 0.209 175.711 175.900 -0.664 0.000 1.053 107 Y CA -0.838 57.077 58.100 -0.309 0.000 1.105 107 Y CB 2.294 40.567 38.460 -0.312 0.000 1.258 107 Y HN 0.367 nan 8.280 nan 0.000 0.478 108 L N 2.972 123.218 121.223 -1.627 0.000 2.439 108 L HA 0.494 4.834 4.340 -0.000 0.000 0.270 108 L C -1.686 174.506 176.870 -1.129 0.000 0.972 108 L CA -0.479 53.654 54.840 -1.179 0.000 0.836 108 L CB 1.487 42.919 42.059 -1.044 0.000 1.255 108 L HN 0.495 nan 8.230 nan 0.000 0.404 109 F N 3.822 123.687 119.950 -0.143 0.000 2.449 109 F HA 0.546 5.073 4.527 -0.000 0.000 0.342 109 F C 0.145 176.050 175.800 0.176 0.000 1.127 109 F CA -0.525 57.500 58.000 0.041 0.000 0.975 109 F CB 1.585 40.629 39.000 0.072 0.000 1.146 109 F HN 0.172 nan 8.300 nan 0.000 0.444 110 I N 3.235 123.966 120.570 0.268 0.000 2.336 110 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 110 I C -0.472 175.796 176.117 0.251 0.000 0.991 110 I CA -0.587 60.837 61.300 0.206 0.000 1.227 110 I CB 1.654 39.733 38.000 0.132 0.000 1.366 110 I HN 0.592 nan 8.210 nan 0.000 0.466 111 Q N 5.997 125.942 119.800 0.242 0.000 2.333 111 Q HA 0.416 4.756 4.340 -0.000 0.000 0.265 111 Q C -0.893 175.226 176.000 0.199 0.000 0.989 111 Q CA -0.669 55.281 55.803 0.244 0.000 0.842 111 Q CB 1.738 30.671 28.738 0.326 0.000 1.262 111 Q HN 0.765 nan 8.270 nan 0.000 0.451 112 T N 0.315 114.983 114.554 0.191 0.000 2.824 112 T HA 0.170 4.520 4.350 -0.000 0.000 0.280 112 T C 0.890 175.691 174.700 0.168 0.000 0.995 112 T CA -0.534 61.682 62.100 0.193 0.000 1.009 112 T CB 1.200 70.188 68.868 0.200 0.000 0.955 112 T HN 0.703 nan 8.240 nan 0.000 0.452 113 D N 2.656 123.156 120.400 0.166 0.000 2.116 113 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 113 D C 0.401 176.712 176.300 0.019 0.000 0.998 113 D CA 1.379 55.443 54.000 0.107 0.000 0.836 113 D CB 0.010 40.875 40.800 0.107 0.000 0.951 113 D HN 0.637 nan 8.370 nan 0.000 0.449 114 K N -1.380 118.985 120.400 -0.059 0.000 2.352 114 K HA 0.395 4.715 4.320 -0.000 0.000 0.240 114 K C 0.859 177.256 176.600 -0.337 0.000 1.017 114 K CA -0.095 55.979 56.287 -0.355 0.000 0.851 114 K CB 1.917 34.030 32.500 -0.645 0.000 1.261 114 K HN 0.040 nan 8.250 nan 0.000 0.451 115 T N -2.207 112.126 114.554 -0.367 0.000 3.037 115 T HA 0.260 4.610 4.350 -0.000 0.000 0.251 115 T C 0.723 175.344 174.700 -0.132 0.000 1.079 115 T CA 0.044 62.050 62.100 -0.156 0.000 1.067 115 T CB 0.069 68.847 68.868 -0.151 0.000 0.948 115 T HN 0.480 nan 8.240 nan 0.000 0.496 116 I N 0.355 120.701 120.570 -0.374 0.000 2.722 116 I HA 0.585 4.755 4.170 -0.000 0.000 0.295 116 I C -1.927 174.031 176.117 -0.265 0.000 1.161 116 I CA -1.601 59.584 61.300 -0.193 0.000 1.032 116 I CB 2.098 39.922 38.000 -0.292 0.000 1.244 116 I HN 0.038 nan 8.210 nan 0.000 0.421 117 Y N 3.091 123.570 120.300 0.298 0.000 2.570 117 Y HA 0.567 5.117 4.550 -0.000 0.000 0.345 117 Y C 0.222 176.277 175.900 0.260 0.000 1.014 117 Y CA -0.800 57.456 58.100 0.259 0.000 1.063 117 Y CB 2.153 40.705 38.460 0.153 0.000 1.272 117 Y HN 0.503 nan 8.280 nan 0.000 0.477 118 T N -0.847 113.833 114.554 0.210 0.000 2.867 118 T HA 0.462 4.812 4.350 -0.000 0.000 0.282 118 T C -2.937 171.775 174.700 0.021 0.000 1.000 118 T CA -2.814 59.290 62.100 0.006 0.000 1.042 118 T CB 1.388 70.112 68.868 -0.240 0.000 0.973 118 T HN 0.190 nan 8.240 nan 0.000 0.465 119 P HA 0.262 nan 4.420 nan 0.000 0.256 119 P C 1.056 178.320 177.300 -0.060 0.000 1.189 119 P CA 0.982 64.072 63.100 -0.016 0.000 0.808 119 P CB -0.100 31.606 31.700 0.010 0.000 0.793 120 G N 1.963 110.702 108.800 -0.101 0.000 2.705 120 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.193 120 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.193 120 G C 0.396 175.222 174.900 -0.123 0.000 1.015 120 G CA 0.179 45.212 45.100 -0.112 0.000 0.743 120 G HN 0.640 nan 8.290 nan 0.000 0.476 121 S N 0.182 115.826 115.700 -0.094 0.000 2.661 121 S HA 0.706 5.176 4.470 -0.000 0.000 0.265 121 S C -0.001 174.514 174.600 -0.141 0.000 1.225 121 S CA 0.533 58.692 58.200 -0.068 0.000 0.986 121 S CB 1.674 64.893 63.200 0.031 0.000 1.008 121 S HN 0.490 nan 8.310 nan 0.000 0.565 122 T N 1.070 115.561 114.554 -0.105 0.000 2.823 122 T HA 0.479 4.829 4.350 -0.000 0.000 0.279 122 T C -0.655 173.954 174.700 -0.152 0.000 0.998 122 T CA -0.604 61.394 62.100 -0.170 0.000 0.994 122 T CB 1.308 70.099 68.868 -0.127 0.000 0.960 122 T HN 0.503 nan 8.240 nan 0.000 0.448 123 V N 5.078 124.822 119.914 -0.283 0.000 2.353 123 V HA 0.263 4.383 4.120 -0.000 0.000 0.264 123 V C 0.089 176.160 176.094 -0.038 0.000 1.049 123 V CA -0.522 61.527 62.300 -0.418 0.000 0.896 123 V CB 0.071 31.383 31.823 -0.851 0.000 1.025 123 V HN 0.693 nan 8.190 nan 0.000 0.475 124 L N 7.699 128.945 121.223 0.039 0.000 2.283 124 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 124 L C -0.460 176.468 176.870 0.096 0.000 1.073 124 L CA -0.368 54.487 54.840 0.025 0.000 0.822 124 L CB 0.063 42.132 42.059 0.017 0.000 1.186 124 L HN 0.750 nan 8.230 nan 0.000 0.436 125 Y N 1.644 121.897 120.300 -0.079 0.000 2.492 125 Y HA 0.769 5.319 4.550 -0.000 0.000 0.346 125 Y C -0.808 175.025 175.900 -0.111 0.000 0.997 125 Y CA -1.441 56.613 58.100 -0.077 0.000 1.025 125 Y CB 1.329 39.731 38.460 -0.097 0.000 1.263 125 Y HN 0.366 nan 8.280 nan 0.000 0.454 126 R N 2.566 123.016 120.500 -0.084 0.000 2.803 126 R HA 0.725 5.065 4.340 -0.000 0.000 0.276 126 R C -1.699 174.404 176.300 -0.328 0.000 0.978 126 R CA -1.128 54.793 56.100 -0.298 0.000 0.939 126 R CB 2.386 32.440 30.300 -0.410 0.000 1.179 126 R HN 0.686 nan 8.270 nan 0.000 0.472 127 I N 2.106 122.434 120.570 -0.403 0.000 2.433 127 I HA 0.312 4.482 4.170 -0.000 0.000 0.292 127 I C -0.910 174.940 176.117 -0.445 0.000 1.001 127 I CA -0.278 60.834 61.300 -0.312 0.000 1.119 127 I CB 1.208 39.116 38.000 -0.153 0.000 1.289 127 I HN 0.369 nan 8.210 nan 0.000 0.438 128 F N 3.520 123.480 119.950 0.017 0.000 2.404 128 F HA 0.459 4.986 4.527 -0.000 0.000 0.354 128 F C 0.625 176.439 175.800 0.023 0.000 1.122 128 F CA -0.854 57.172 58.000 0.043 0.000 1.080 128 F CB 1.420 40.484 39.000 0.107 0.000 1.131 128 F HN 0.377 nan 8.300 nan 0.000 0.471 129 T N 1.507 116.169 114.554 0.181 0.000 2.853 129 T HA 0.648 4.998 4.350 -0.000 0.000 0.317 129 T C -0.551 174.285 174.700 0.228 0.000 1.059 129 T CA -0.660 61.544 62.100 0.173 0.000 0.954 129 T CB 0.147 69.099 68.868 0.139 0.000 0.994 129 T HN 0.500 nan 8.240 nan 0.000 0.479 130 V N 1.501 121.568 119.914 0.254 0.000 2.823 130 V HA 0.746 4.866 4.120 -0.000 0.000 0.312 130 V C -0.059 176.139 176.094 0.173 0.000 1.072 130 V CA -1.403 61.020 62.300 0.204 0.000 0.937 130 V CB 1.648 33.594 31.823 0.206 0.000 1.013 130 V HN 0.878 nan 8.190 nan 0.000 0.430 131 N N 1.234 120.000 118.700 0.110 0.000 2.332 131 N HA 0.131 4.871 4.740 -0.000 0.000 0.282 131 N C 0.629 176.218 175.510 0.132 0.000 1.288 131 N CA 0.329 53.401 53.050 0.036 0.000 0.949 131 N CB -0.518 38.008 38.487 0.065 0.000 1.108 131 N HN 0.805 nan 8.380 nan 0.000 0.542 132 H N -1.962 117.207 119.070 0.165 0.000 2.563 132 H HA 0.161 4.717 4.556 -0.000 0.000 0.272 132 H C 0.300 175.812 175.328 0.307 0.000 1.005 132 H CA 0.831 57.067 56.048 0.312 0.000 1.171 132 H CB 0.095 29.941 29.762 0.139 0.000 1.351 132 H HN 0.480 nan 8.280 nan 0.000 0.602 133 K N 0.517 121.088 120.400 0.284 0.000 2.414 133 K HA 0.200 4.519 4.320 -0.000 0.000 0.204 133 K C -0.334 176.353 176.600 0.146 0.000 1.026 133 K CA -0.051 56.354 56.287 0.197 0.000 1.108 133 K CB 0.999 33.580 32.500 0.135 0.000 0.855 133 K HN 0.103 nan 8.250 nan 0.000 0.517 134 L N 1.695 123.004 121.223 0.144 0.000 3.632 134 L HA -0.231 4.109 4.340 -0.000 0.000 0.510 134 L C -0.971 175.926 176.870 0.045 0.000 1.299 134 L CA 0.380 55.253 54.840 0.055 0.000 0.829 134 L CB -1.580 40.427 42.059 -0.086 0.000 1.559 134 L HN 0.260 nan 8.230 nan 0.000 0.857 135 L N -0.373 120.896 121.223 0.077 0.000 2.388 135 L HA 0.630 4.970 4.340 -0.000 0.000 0.264 135 L C -2.162 174.752 176.870 0.073 0.000 0.998 135 L CA -2.031 52.845 54.840 0.060 0.000 0.817 135 L CB 2.153 44.248 42.059 0.058 0.000 1.338 135 L HN -0.202 nan 8.230 nan 0.000 0.414 136 P HA 0.018 nan 4.420 nan 0.000 0.261 136 P C -1.060 176.282 177.300 0.070 0.000 1.183 136 P CA 0.260 63.405 63.100 0.075 0.000 0.761 136 P CB 0.739 32.474 31.700 0.058 0.000 0.785 137 V N 3.622 123.587 119.914 0.085 0.000 2.891 137 V HA 0.668 4.788 4.120 -0.000 0.000 0.304 137 V C -0.219 175.925 176.094 0.084 0.000 1.171 137 V CA -0.609 61.734 62.300 0.073 0.000 0.943 137 V CB 2.246 34.108 31.823 0.065 0.000 1.037 137 V HN 0.612 nan 8.190 nan 0.000 0.427 138 G N 6.155 114.993 108.800 0.064 0.000 2.365 138 G HA2 0.627 4.586 3.960 -0.000 0.000 0.293 138 G HA3 0.627 4.586 3.960 -0.000 0.000 0.293 138 G C -0.355 174.592 174.900 0.079 0.000 1.128 138 G CA -0.325 44.812 45.100 0.062 0.000 0.971 138 G HN 0.625 nan 8.290 nan 0.000 0.422 139 R N 1.154 121.723 120.500 0.116 0.000 2.855 139 R HA 0.526 4.866 4.340 -0.000 0.000 0.266 139 R C -0.692 175.683 176.300 0.125 0.000 1.034 139 R CA -0.746 55.451 56.100 0.162 0.000 0.944 139 R CB 1.398 31.901 30.300 0.338 0.000 1.219 139 R HN 0.405 nan 8.270 nan 0.000 0.474 140 T N 1.074 115.706 114.554 0.130 0.000 2.744 140 T HA 0.456 4.806 4.350 -0.000 0.000 0.291 140 T C -0.201 174.511 174.700 0.019 0.000 0.957 140 T CA -0.439 61.695 62.100 0.057 0.000 1.002 140 T CB 1.050 69.947 68.868 0.049 0.000 0.919 140 T HN 0.123 nan 8.240 nan 0.000 0.468 141 V N 5.003 124.860 119.914 -0.095 0.000 2.540 141 V HA 0.454 4.574 4.120 -0.000 0.000 0.302 141 V C -0.236 175.694 176.094 -0.273 0.000 1.035 141 V CA -1.008 61.151 62.300 -0.236 0.000 0.873 141 V CB 1.927 33.561 31.823 -0.315 0.000 0.992 141 V HN 0.790 nan 8.190 nan 0.000 0.428 142 M N 4.712 124.022 119.600 -0.483 0.000 2.108 142 M HA 0.465 4.945 4.480 -0.000 0.000 0.354 142 M C -0.704 175.314 176.300 -0.471 0.000 1.229 142 M CA -0.338 54.639 55.300 -0.538 0.000 1.081 142 M CB 1.115 33.195 32.600 -0.866 0.000 1.606 142 M HN 0.343 nan 8.290 nan 0.000 0.467 143 V N 5.088 124.867 119.914 -0.224 0.000 2.409 143 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 143 V C -0.324 175.733 176.094 -0.063 0.000 1.020 143 V CA -0.823 61.408 62.300 -0.115 0.000 0.848 143 V CB 1.761 33.565 31.823 -0.031 0.000 0.990 143 V HN 0.753 nan 8.190 nan 0.000 0.430 144 N N 4.080 122.756 118.700 -0.040 0.000 2.272 144 N HA 0.676 5.416 4.740 -0.000 0.000 0.305 144 N C -0.965 174.500 175.510 -0.075 0.000 1.103 144 N CA -0.514 52.518 53.050 -0.030 0.000 0.791 144 N CB 2.520 41.020 38.487 0.021 0.000 1.356 144 N HN 0.529 nan 8.380 nan 0.000 0.486 145 I N 1.041 121.541 120.570 -0.116 0.000 2.420 145 I HA 0.240 4.410 4.170 -0.000 0.000 0.282 145 I C -0.200 175.863 176.117 -0.089 0.000 1.019 145 I CA -0.494 60.699 61.300 -0.179 0.000 1.130 145 I CB 1.151 38.865 38.000 -0.476 0.000 1.262 145 I HN 0.228 nan 8.210 nan 0.000 0.454 146 E N 5.086 125.243 120.200 -0.071 0.000 2.216 146 E HA 0.208 4.558 4.350 -0.000 0.000 0.279 146 E C -0.441 175.954 176.600 -0.342 0.000 0.997 146 E CA -0.824 55.489 56.400 -0.144 0.000 0.817 146 E CB 1.276 30.891 29.700 -0.141 0.000 1.096 146 E HN 0.532 nan 8.360 nan 0.000 0.393 147 N N 2.664 120.965 118.700 -0.664 0.000 2.317 147 N HA 0.043 4.783 4.740 -0.000 0.000 0.245 147 N C -2.119 172.775 175.510 -1.025 0.000 1.294 147 N CA -1.563 50.559 53.050 -1.546 0.000 0.924 147 N CB -0.296 37.505 38.487 -1.144 0.000 1.186 147 N HN 0.065 nan 8.380 nan 0.000 0.495 148 P HA -0.105 nan 4.420 nan 0.000 0.222 148 P C 0.020 177.103 177.300 -0.361 0.000 1.142 148 P CA 1.405 64.161 63.100 -0.573 0.000 0.788 148 P CB 0.058 31.493 31.700 -0.440 0.000 0.767 149 E N -1.300 118.686 120.200 -0.357 0.000 2.444 149 E HA 0.229 4.579 4.350 -0.000 0.000 0.191 149 E C 0.862 177.341 176.600 -0.202 0.000 1.041 149 E CA 0.045 56.309 56.400 -0.226 0.000 0.883 149 E CB -0.384 29.207 29.700 -0.181 0.000 1.024 149 E HN 0.087 nan 8.360 nan 0.000 0.470 150 G N 2.392 111.045 108.800 -0.245 0.000 2.323 150 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.292 150 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.292 150 G C -0.002 174.811 174.900 -0.145 0.000 1.040 150 G CA 0.106 45.096 45.100 -0.184 0.000 0.942 150 G HN 0.207 nan 8.290 nan 0.000 0.506 151 I N 0.144 120.613 120.570 -0.167 0.000 2.410 151 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 151 I C -2.214 173.848 176.117 -0.091 0.000 1.009 151 I CA -3.257 57.979 61.300 -0.107 0.000 1.111 151 I CB 1.605 39.551 38.000 -0.090 0.000 1.262 151 I HN -0.179 nan 8.210 nan 0.000 0.443 152 P HA -0.020 nan 4.420 nan 0.000 0.261 152 P C 1.028 178.333 177.300 0.008 0.000 1.183 152 P CA 0.297 63.382 63.100 -0.025 0.000 0.761 152 P CB 0.643 32.340 31.700 -0.005 0.000 0.785 153 V N 0.855 120.791 119.914 0.038 0.000 3.645 153 V HA 0.320 4.439 4.120 -0.000 0.000 0.275 153 V C 0.462 176.624 176.094 0.113 0.000 1.356 153 V CA 0.641 63.009 62.300 0.113 0.000 1.051 153 V CB -0.357 31.617 31.823 0.253 0.000 0.828 153 V HN 0.387 nan 8.190 nan 0.000 0.441 154 K N 2.017 122.443 120.400 0.043 0.000 2.565 154 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 154 K C -1.661 174.945 176.600 0.010 0.000 0.956 154 K CA -0.450 55.865 56.287 0.048 0.000 0.809 154 K CB 1.858 34.392 32.500 0.057 0.000 1.267 154 K HN 0.381 nan 8.250 nan 0.000 0.438 155 Q N 3.372 123.188 119.800 0.027 0.000 2.323 155 Q HA 0.470 4.810 4.340 -0.000 0.000 0.271 155 Q C -1.484 174.521 176.000 0.009 0.000 1.048 155 Q CA -0.505 55.304 55.803 0.010 0.000 0.792 155 Q CB 2.285 31.033 28.738 0.017 0.000 1.280 155 Q HN 0.591 nan 8.270 nan 0.000 0.441 156 D N 0.956 121.349 120.400 -0.012 0.000 2.758 156 D HA 0.531 5.171 4.640 -0.000 0.000 0.279 156 D C -0.920 175.350 176.300 -0.051 0.000 1.111 156 D CA -0.506 53.484 54.000 -0.017 0.000 1.109 156 D CB 1.675 42.472 40.800 -0.005 0.000 1.428 156 D HN 0.469 nan 8.370 nan 0.000 0.586 157 S N 0.425 116.096 115.700 -0.048 0.000 2.680 157 S HA 0.353 4.823 4.470 -0.000 0.000 0.140 157 S C -1.160 173.409 174.600 -0.052 0.000 1.357 157 S CA -0.466 57.696 58.200 -0.064 0.000 1.201 157 S CB -0.637 62.537 63.200 -0.044 0.000 1.547 157 S HN 0.210 nan 8.310 nan 0.000 0.411 158 L N 1.839 123.023 121.223 -0.065 0.000 2.482 158 L HA 0.684 5.024 4.340 -0.000 0.000 0.242 158 L C 0.759 177.601 176.870 -0.047 0.000 1.210 158 L CA 0.072 54.879 54.840 -0.055 0.000 0.819 158 L CB 0.939 42.956 42.059 -0.070 0.000 1.203 158 L HN 0.496 nan 8.230 nan 0.000 0.495 159 S N -1.646 114.033 115.700 -0.034 0.000 2.677 159 S HA 0.292 4.762 4.470 -0.000 0.000 0.283 159 S C 0.334 174.927 174.600 -0.013 0.000 1.159 159 S CA -0.261 57.931 58.200 -0.014 0.000 1.001 159 S CB 0.966 64.165 63.200 -0.000 0.000 1.032 159 S HN 0.627 nan 8.310 nan 0.000 0.487 160 S N 3.129 118.828 115.700 -0.001 0.000 2.660 160 S HA 0.042 4.512 4.470 -0.000 0.000 0.228 160 S C 0.638 175.247 174.600 0.015 0.000 0.966 160 S CA 0.019 58.220 58.200 0.002 0.000 0.940 160 S CB -0.341 62.871 63.200 0.020 0.000 0.773 160 S HN 0.733 nan 8.310 nan 0.000 0.535 161 Q N 2.503 122.313 119.800 0.016 0.000 2.263 161 Q HA 0.115 4.455 4.340 -0.000 0.000 0.289 161 Q C 0.008 176.014 176.000 0.010 0.000 1.061 161 Q CA 0.669 56.483 55.803 0.018 0.000 0.927 161 Q CB -0.330 28.419 28.738 0.017 0.000 1.154 161 Q HN 0.373 nan 8.270 nan 0.000 0.378 162 N N 2.655 121.362 118.700 0.012 0.000 2.714 162 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 162 N C -0.555 174.956 175.510 0.002 0.000 1.117 162 N CA 1.323 54.377 53.050 0.007 0.000 0.719 162 N CB -1.040 37.449 38.487 0.004 0.000 1.081 162 N HN 0.692 nan 8.380 nan 0.000 0.557 163 Q N -0.026 119.776 119.800 0.004 0.000 2.127 163 Q HA 0.395 4.735 4.340 -0.000 0.000 0.222 163 Q C 0.127 176.130 176.000 0.006 0.000 0.794 163 Q CA -0.331 55.470 55.803 -0.004 0.000 1.010 163 Q CB 0.368 29.096 28.738 -0.018 0.000 1.170 163 Q HN 0.296 nan 8.270 nan 0.000 0.479 164 L N 0.212 121.446 121.223 0.019 0.000 3.717 164 L HA -0.189 4.151 4.340 -0.000 0.000 0.411 164 L C 0.533 177.437 176.870 0.056 0.000 1.233 164 L CA 1.323 56.182 54.840 0.032 0.000 0.917 164 L CB -1.465 40.609 42.059 0.025 0.000 1.902 164 L HN 0.481 nan 8.230 nan 0.000 0.894 165 G N -0.994 107.840 108.800 0.056 0.000 2.305 165 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.287 165 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.287 165 G C 0.095 175.047 174.900 0.086 0.000 1.036 165 G CA 0.302 45.453 45.100 0.084 0.000 0.887 165 G HN 1.193 nan 8.290 nan 0.000 0.505 166 V N 0.593 120.512 119.914 0.007 0.000 2.488 166 V HA 0.471 4.591 4.120 -0.000 0.000 0.293 166 V C 0.204 176.211 176.094 -0.145 0.000 1.027 166 V CA -0.682 61.563 62.300 -0.091 0.000 0.862 166 V CB 1.814 33.622 31.823 -0.025 0.000 1.008 166 V HN 0.299 nan 8.190 nan 0.000 0.428 167 L N 7.023 128.112 121.223 -0.224 0.000 2.335 167 L HA 0.435 4.775 4.340 -0.000 0.000 0.268 167 L C -2.494 174.225 176.870 -0.251 0.000 1.037 167 L CA -1.592 53.131 54.840 -0.195 0.000 0.895 167 L CB 1.676 43.634 42.059 -0.167 0.000 1.266 167 L HN 0.392 nan 8.230 nan 0.000 0.439 168 P HA 0.245 nan 4.420 nan 0.000 0.271 168 P C -0.614 176.504 177.300 -0.303 0.000 1.226 168 P CA 0.323 63.276 63.100 -0.245 0.000 0.765 168 P CB 0.841 32.441 31.700 -0.166 0.000 0.835 169 L N 1.894 122.829 121.223 -0.481 0.000 2.397 169 L HA 0.728 5.068 4.340 -0.000 0.000 0.251 169 L C -0.241 176.207 176.870 -0.704 0.000 1.064 169 L CA -0.671 53.787 54.840 -0.637 0.000 0.859 169 L CB 2.401 43.912 42.059 -0.913 0.000 1.468 169 L HN 0.382 nan 8.230 nan 0.000 0.411 170 S N -1.011 114.417 115.700 -0.455 0.000 2.547 170 S HA 0.617 5.087 4.470 -0.000 0.000 0.270 170 S C -2.153 172.540 174.600 0.155 0.000 1.150 170 S CA -0.750 57.363 58.200 -0.146 0.000 0.850 170 S CB 1.928 65.060 63.200 -0.113 0.000 1.118 170 S HN 0.627 nan 8.310 nan 0.000 0.461 171 W N 2.222 123.518 121.300 -0.008 0.000 2.884 171 W HA 0.536 5.196 4.660 -0.000 0.000 0.336 171 W C -1.902 174.532 176.519 -0.140 0.000 1.038 171 W CA -0.411 56.910 57.345 -0.041 0.000 1.247 171 W CB 1.258 30.712 29.460 -0.010 0.000 1.351 171 W HN 0.686 nan 8.180 nan 0.000 0.446 172 D N 5.854 125.842 120.400 -0.687 0.000 2.383 172 D HA 0.198 4.838 4.640 -0.000 0.000 0.252 172 D C 0.230 175.788 176.300 -1.237 0.000 1.166 172 D CA 0.456 54.024 54.000 -0.720 0.000 0.879 172 D CB 1.132 41.670 40.800 -0.436 0.000 1.164 172 D HN 0.319 nan 8.370 nan 0.000 0.462 173 I N 4.436 124.443 120.570 -0.937 0.000 2.312 173 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 173 I C -2.015 173.819 176.117 -0.472 0.000 1.031 173 I CA -1.929 58.834 61.300 -0.894 0.000 1.293 173 I CB 0.870 38.541 38.000 -0.549 0.000 1.403 173 I HN -0.006 nan 8.210 nan 0.000 0.484 174 P HA 0.011 nan 4.420 nan 0.000 0.267 174 P C 0.604 177.838 177.300 -0.110 0.000 1.200 174 P CA -0.136 62.853 63.100 -0.185 0.000 0.772 174 P CB 0.690 32.333 31.700 -0.096 0.000 0.855 175 E N 1.338 121.491 120.200 -0.078 0.000 2.058 175 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 175 E C 0.628 177.222 176.600 -0.011 0.000 0.997 175 E CA 1.324 57.697 56.400 -0.046 0.000 0.801 175 E CB -0.274 29.402 29.700 -0.039 0.000 0.746 175 E HN 0.467 nan 8.360 nan 0.000 0.450 176 L N 1.943 123.167 121.223 0.003 0.000 2.358 176 L HA 0.219 4.559 4.340 -0.000 0.000 0.274 176 L C 0.003 176.915 176.870 0.070 0.000 1.136 176 L CA -0.422 54.437 54.840 0.033 0.000 0.970 176 L CB 0.742 42.818 42.059 0.029 0.000 1.314 176 L HN -0.156 nan 8.230 nan 0.000 0.427 177 V N 2.536 122.509 119.914 0.100 0.000 3.001 177 V HA 0.467 4.587 4.120 -0.000 0.000 0.314 177 V C -0.493 175.741 176.094 0.234 0.000 1.099 177 V CA -0.806 61.611 62.300 0.196 0.000 0.989 177 V CB 2.729 34.666 31.823 0.189 0.000 1.040 177 V HN 0.596 nan 8.190 nan 0.000 0.434 178 N N 4.543 123.435 118.700 0.321 0.000 2.405 178 N HA 0.351 5.091 4.740 -0.000 0.000 0.260 178 N C -0.374 175.321 175.510 0.309 0.000 1.152 178 N CA -0.117 53.070 53.050 0.229 0.000 0.948 178 N CB 0.754 39.307 38.487 0.110 0.000 1.111 178 N HN 0.567 nan 8.380 nan 0.000 0.485 179 M N 1.427 121.153 119.600 0.211 0.000 2.248 179 M HA 0.384 4.864 4.480 -0.000 0.000 0.337 179 M C 1.267 177.654 176.300 0.144 0.000 1.121 179 M CA 0.519 55.949 55.300 0.215 0.000 1.155 179 M CB 0.427 33.114 32.600 0.145 0.000 1.514 179 M HN 0.749 nan 8.290 nan 0.000 0.452 180 G N 0.884 109.783 108.800 0.164 0.000 2.350 180 G HA2 0.105 4.065 3.960 -0.000 0.000 0.276 180 G HA3 0.105 4.065 3.960 -0.000 0.000 0.276 180 G C -1.738 173.201 174.900 0.064 0.000 1.313 180 G CA -0.944 44.186 45.100 0.050 0.000 0.903 180 G HN 0.430 nan 8.290 nan 0.000 0.490 181 Q N 0.455 120.223 119.800 -0.053 0.000 2.503 181 Q HA 0.320 4.660 4.340 -0.000 0.000 0.227 181 Q C -0.569 175.315 176.000 -0.194 0.000 1.109 181 Q CA -0.225 55.534 55.803 -0.073 0.000 0.922 181 Q CB 0.625 29.324 28.738 -0.066 0.000 1.249 181 Q HN 0.431 nan 8.270 nan 0.000 0.530 182 W N 1.944 122.954 121.300 -0.484 0.000 1.975 182 W HA 0.196 4.856 4.660 -0.000 0.000 0.359 182 W C 0.819 176.973 176.519 -0.610 0.000 1.363 182 W CA 0.213 57.149 57.345 -0.682 0.000 1.376 182 W CB 0.518 29.236 29.460 -1.237 0.000 1.231 182 W HN 0.240 nan 8.180 nan 0.000 0.641 183 K N 0.881 121.176 120.400 -0.175 0.000 2.523 183 K HA 0.490 4.810 4.320 -0.000 0.000 0.257 183 K C -1.664 174.954 176.600 0.030 0.000 0.932 183 K CA -0.608 55.646 56.287 -0.055 0.000 0.812 183 K CB 1.196 33.652 32.500 -0.074 0.000 1.326 183 K HN 0.425 nan 8.250 nan 0.000 0.433 184 I N 4.761 125.367 120.570 0.059 0.000 2.405 184 I HA 0.366 4.536 4.170 -0.000 0.000 0.280 184 I C -0.321 175.792 176.117 -0.007 0.000 1.027 184 I CA -0.741 60.536 61.300 -0.037 0.000 1.161 184 I CB 1.399 39.297 38.000 -0.170 0.000 1.300 184 I HN 0.394 nan 8.210 nan 0.000 0.463 185 R N 4.694 125.195 120.500 0.001 0.000 2.474 185 R HA 0.884 5.224 4.340 -0.000 0.000 0.295 185 R C -0.557 175.786 176.300 0.071 0.000 0.980 185 R CA -0.607 55.529 56.100 0.061 0.000 0.934 185 R CB 2.160 32.503 30.300 0.071 0.000 1.101 185 R HN 0.675 nan 8.270 nan 0.000 0.469 186 A N 2.105 125.005 122.820 0.133 0.000 2.572 186 A HA 0.720 5.040 4.320 -0.000 0.000 0.295 186 A C -1.767 175.946 177.584 0.215 0.000 1.072 186 A CA -0.787 51.283 52.037 0.055 0.000 0.691 186 A CB 1.400 20.383 19.000 -0.028 0.000 1.291 186 A HN 0.789 nan 8.150 nan 0.000 0.404 187 Y N -2.111 118.188 120.300 -0.001 0.000 2.662 187 Y HA 0.673 5.223 4.550 -0.000 0.000 0.334 187 Y C -1.506 174.361 175.900 -0.055 0.000 1.185 187 Y CA -1.613 56.505 58.100 0.030 0.000 1.074 187 Y CB 0.292 38.782 38.460 0.050 0.000 1.330 187 Y HN 0.614 nan 8.280 nan 0.000 0.458 188 Y N 1.823 122.269 120.300 0.244 0.000 2.411 188 Y HA 0.132 4.682 4.550 -0.000 0.000 0.333 188 Y C 1.804 177.814 175.900 0.183 0.000 1.186 188 Y CA 0.423 58.598 58.100 0.126 0.000 1.381 188 Y CB 1.093 39.618 38.460 0.110 0.000 1.273 188 Y HN 0.920 nan 8.280 nan 0.000 0.546 189 E N 1.334 121.674 120.200 0.233 0.000 2.204 189 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 189 E C 0.681 177.406 176.600 0.208 0.000 0.990 189 E CA 1.289 57.803 56.400 0.189 0.000 0.821 189 E CB 0.122 29.886 29.700 0.106 0.000 0.750 189 E HN 0.688 nan 8.360 nan 0.000 0.477 190 N N -0.002 118.819 118.700 0.203 0.000 2.398 190 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 190 N C -0.471 175.119 175.510 0.133 0.000 1.122 190 N CA 0.663 53.795 53.050 0.138 0.000 0.866 190 N CB 1.064 39.603 38.487 0.087 0.000 0.970 190 N HN 0.024 nan 8.380 nan 0.000 0.462 191 S N -1.013 114.808 115.700 0.201 0.000 2.440 191 S HA 0.305 4.775 4.470 -0.000 0.000 0.142 191 S C -2.372 172.311 174.600 0.139 0.000 1.578 191 S CA -0.964 57.324 58.200 0.146 0.000 1.260 191 S CB 1.904 65.187 63.200 0.138 0.000 1.407 191 S HN -0.113 nan 8.310 nan 0.000 0.392 192 P HA -0.128 nan 4.420 nan 0.000 0.230 192 P C 1.277 178.338 177.300 -0.398 0.000 1.158 192 P CA 0.871 63.798 63.100 -0.288 0.000 0.769 192 P CB 0.164 31.774 31.700 -0.150 0.000 0.807 193 Q N -0.030 119.657 119.800 -0.188 0.000 2.250 193 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 193 Q C 1.183 177.074 176.000 -0.182 0.000 0.941 193 Q CA 0.713 56.412 55.803 -0.173 0.000 0.872 193 Q CB -0.681 27.996 28.738 -0.101 0.000 0.965 193 Q HN 0.326 nan 8.270 nan 0.000 0.480 194 Q N 1.606 121.321 119.800 -0.142 0.000 2.472 194 Q HA 0.388 4.728 4.340 -0.000 0.000 0.227 194 Q C -1.456 174.402 176.000 -0.236 0.000 1.156 194 Q CA -0.244 55.438 55.803 -0.202 0.000 0.924 194 Q CB 0.719 29.380 28.738 -0.128 0.000 1.354 194 Q HN 0.033 nan 8.270 nan 0.000 0.525 195 V N 5.302 125.031 119.914 -0.308 0.000 2.417 195 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 195 V C -0.492 175.435 176.094 -0.278 0.000 1.024 195 V CA -0.603 61.604 62.300 -0.155 0.000 0.861 195 V CB 0.950 32.718 31.823 -0.092 0.000 0.985 195 V HN 0.561 nan 8.190 nan 0.000 0.436 196 F N 1.802 121.772 119.950 0.034 0.000 2.403 196 F HA 0.727 5.254 4.527 -0.000 0.000 0.326 196 F C 0.806 176.616 175.800 0.017 0.000 1.081 196 F CA -0.206 57.796 58.000 0.003 0.000 1.041 196 F CB 1.704 40.676 39.000 -0.047 0.000 1.234 196 F HN 0.399 nan 8.300 nan 0.000 0.503 197 S N -0.170 115.650 115.700 0.200 0.000 2.541 197 S HA 0.715 5.185 4.470 -0.000 0.000 0.271 197 S C -1.118 173.559 174.600 0.129 0.000 1.133 197 S CA -0.852 57.422 58.200 0.124 0.000 0.876 197 S CB 2.147 65.387 63.200 0.068 0.000 1.105 197 S HN 0.536 nan 8.310 nan 0.000 0.470 198 T N 2.301 116.924 114.554 0.115 0.000 2.991 198 T HA 0.386 4.736 4.350 -0.000 0.000 0.303 198 T C -1.035 173.763 174.700 0.164 0.000 1.015 198 T CA -0.704 61.481 62.100 0.141 0.000 1.007 198 T CB 1.383 70.344 68.868 0.154 0.000 1.034 198 T HN 0.547 nan 8.240 nan 0.000 0.446 199 E N 2.157 122.450 120.200 0.156 0.000 2.248 199 E HA 0.680 5.030 4.350 -0.000 0.000 0.272 199 E C -0.942 175.822 176.600 0.272 0.000 1.008 199 E CA -0.851 55.631 56.400 0.136 0.000 0.856 199 E CB 1.385 31.116 29.700 0.052 0.000 1.120 199 E HN 0.605 nan 8.360 nan 0.000 0.397 200 F N -1.151 118.894 119.950 0.158 0.000 2.596 200 F HA 0.408 4.935 4.527 -0.000 0.000 0.311 200 F C -0.697 175.265 175.800 0.269 0.000 1.116 200 F CA -1.158 56.977 58.000 0.225 0.000 0.957 200 F CB 1.104 40.309 39.000 0.341 0.000 1.250 200 F HN 0.281 nan 8.300 nan 0.000 0.444 201 E N 2.765 123.136 120.200 0.285 0.000 2.283 201 E HA 0.561 4.911 4.350 -0.000 0.000 0.278 201 E C -1.526 175.284 176.600 0.350 0.000 1.027 201 E CA -0.754 55.770 56.400 0.205 0.000 0.843 201 E CB 1.699 31.466 29.700 0.111 0.000 1.062 201 E HN 0.678 nan 8.360 nan 0.000 0.401 202 V N 5.685 125.799 119.914 0.334 0.000 2.357 202 V HA 0.436 4.556 4.120 -0.000 0.000 0.284 202 V C -0.210 176.055 176.094 0.286 0.000 1.018 202 V CA -0.422 62.090 62.300 0.353 0.000 0.841 202 V CB 1.251 33.260 31.823 0.310 0.000 0.991 202 V HN 0.664 nan 8.190 nan 0.000 0.437 203 K N 3.472 124.050 120.400 0.296 0.000 2.587 203 K HA 0.431 4.750 4.320 -0.000 0.000 0.276 203 K C -1.101 175.661 176.600 0.270 0.000 0.956 203 K CA -0.727 55.712 56.287 0.254 0.000 0.857 203 K CB 2.359 34.992 32.500 0.221 0.000 1.431 203 K HN 0.661 nan 8.250 nan 0.000 0.420 204 E N 3.123 123.417 120.200 0.156 0.000 2.129 204 E HA 0.175 4.525 4.350 -0.000 0.000 0.283 204 E C -1.036 175.635 176.600 0.118 0.000 1.080 204 E CA -0.174 56.259 56.400 0.055 0.000 0.867 204 E CB 0.287 30.003 29.700 0.027 0.000 1.056 204 E HN 0.419 nan 8.360 nan 0.000 0.404 205 Y N -0.303 120.002 120.300 0.008 0.000 2.728 205 Y HA 0.685 5.235 4.550 -0.000 0.000 0.330 205 Y C -1.141 174.752 175.900 -0.011 0.000 1.234 205 Y CA -1.464 56.633 58.100 -0.006 0.000 1.070 205 Y CB 0.848 39.300 38.460 -0.013 0.000 1.300 205 Y HN 0.120 nan 8.280 nan 0.000 0.467 206 V N -0.139 119.908 119.914 0.221 0.000 2.733 206 V HA 0.569 4.689 4.120 -0.000 0.000 0.306 206 V C -1.159 175.045 176.094 0.183 0.000 1.084 206 V CA -1.150 61.218 62.300 0.113 0.000 0.905 206 V CB 1.357 33.203 31.823 0.038 0.000 1.010 206 V HN 0.774 nan 8.190 nan 0.000 0.424 207 L N 6.252 127.568 121.223 0.156 0.000 2.500 207 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 207 L C -1.658 175.239 176.870 0.044 0.000 1.149 207 L CA -0.276 54.630 54.840 0.109 0.000 0.897 207 L CB -0.702 41.418 42.059 0.102 0.000 1.178 207 L HN 0.598 nan 8.230 nan 0.000 0.473 208 P HA 0.131 nan 4.420 nan 0.000 0.274 208 P C 0.418 177.698 177.300 -0.033 0.000 1.264 208 P CA -0.246 62.790 63.100 -0.106 0.000 0.795 208 P CB 0.508 32.047 31.700 -0.269 0.000 1.064 209 S N -1.484 114.200 115.700 -0.026 0.000 2.502 209 S HA 0.227 4.697 4.470 -0.000 0.000 0.215 209 S C 0.295 175.060 174.600 0.276 0.000 1.009 209 S CA -0.201 58.139 58.200 0.234 0.000 0.908 209 S CB -0.626 62.843 63.200 0.449 0.000 0.801 209 S HN 0.481 nan 8.310 nan 0.000 0.505 210 F N 0.971 120.896 119.950 -0.041 0.000 2.664 210 F HA 0.835 5.362 4.527 -0.000 0.000 0.317 210 F C -0.879 174.846 175.800 -0.125 0.000 1.108 210 F CA -1.318 56.566 58.000 -0.193 0.000 0.957 210 F CB 0.858 39.514 39.000 -0.572 0.000 1.365 210 F HN 0.138 nan 8.300 nan 0.000 0.475 211 E N 0.560 120.806 120.200 0.076 0.000 2.222 211 E HA 0.746 5.096 4.350 -0.000 0.000 0.267 211 E C -1.776 174.890 176.600 0.110 0.000 0.963 211 E CA -1.202 55.209 56.400 0.018 0.000 0.837 211 E CB 2.506 32.217 29.700 0.019 0.000 1.183 211 E HN 0.520 nan 8.360 nan 0.000 0.403 212 V N 2.903 122.847 119.914 0.050 0.000 2.443 212 V HA 0.364 4.483 4.120 -0.000 0.000 0.293 212 V C -0.411 175.698 176.094 0.025 0.000 1.021 212 V CA -0.595 61.742 62.300 0.062 0.000 0.848 212 V CB 1.037 32.904 31.823 0.073 0.000 0.998 212 V HN 0.634 nan 8.190 nan 0.000 0.424 213 I N 5.278 125.859 120.570 0.018 0.000 2.441 213 I HA 0.605 4.775 4.170 -0.000 0.000 0.295 213 I C -0.415 175.706 176.117 0.007 0.000 0.994 213 I CA -1.071 60.235 61.300 0.011 0.000 1.144 213 I CB 2.179 40.184 38.000 0.008 0.000 1.314 213 I HN 0.479 nan 8.210 nan 0.000 0.445 214 V N 1.815 121.735 119.914 0.010 0.000 2.357 214 V HA 0.525 4.644 4.120 -0.000 0.000 0.281 214 V C -0.621 175.485 176.094 0.020 0.000 1.015 214 V CA -0.492 61.814 62.300 0.010 0.000 0.827 214 V CB 0.896 32.722 31.823 0.005 0.000 1.018 214 V HN 0.754 nan 8.190 nan 0.000 0.432 215 E N 5.853 126.064 120.200 0.018 0.000 2.182 215 E HA 0.469 4.819 4.350 -0.000 0.000 0.258 215 E C -2.795 173.816 176.600 0.018 0.000 0.879 215 E CA -1.912 54.499 56.400 0.018 0.000 0.754 215 E CB 2.550 32.257 29.700 0.011 0.000 1.162 215 E HN 0.519 nan 8.360 nan 0.000 0.419 216 P HA -0.066 nan 4.420 nan 0.000 0.270 216 P C 1.081 178.369 177.300 -0.020 0.000 1.223 216 P CA -0.046 63.063 63.100 0.015 0.000 0.785 216 P CB 0.598 32.310 31.700 0.020 0.000 0.923 217 T N -2.080 112.453 114.554 -0.034 0.000 2.759 217 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 217 T C 0.509 175.140 174.700 -0.114 0.000 1.042 217 T CA 1.258 63.323 62.100 -0.059 0.000 1.140 217 T CB -0.324 68.510 68.868 -0.057 0.000 0.864 217 T HN 0.327 nan 8.240 nan 0.000 0.455 218 E N 0.460 120.548 120.200 -0.186 0.000 2.288 218 E HA 0.396 4.746 4.350 -0.000 0.000 0.268 218 E C -0.270 176.168 176.600 -0.270 0.000 0.885 218 E CA -0.662 55.521 56.400 -0.361 0.000 0.767 218 E CB 1.965 31.194 29.700 -0.784 0.000 1.220 218 E HN 0.277 nan 8.360 nan 0.000 0.427 219 K N 1.426 121.730 120.400 -0.160 0.000 2.591 219 K HA 0.111 4.431 4.320 -0.000 0.000 0.197 219 K C -0.035 176.684 176.600 0.199 0.000 1.026 219 K CA 0.360 56.680 56.287 0.055 0.000 1.127 219 K CB -0.411 32.170 32.500 0.135 0.000 0.871 219 K HN 0.300 nan 8.250 nan 0.000 0.507 220 F N -3.263 116.720 119.950 0.055 0.000 3.306 220 F HA 0.447 4.974 4.527 -0.000 0.000 0.326 220 F C -1.663 174.237 175.800 0.166 0.000 1.169 220 F CA -1.803 56.248 58.000 0.086 0.000 0.883 220 F CB 0.882 39.908 39.000 0.043 0.000 1.505 220 F HN -0.194 nan 8.300 nan 0.000 0.504 221 Y N 0.965 121.458 120.300 0.323 0.000 2.362 221 Y HA 0.480 5.030 4.550 -0.000 0.000 0.326 221 Y C -1.930 174.152 175.900 0.303 0.000 1.083 221 Y CA -1.430 56.772 58.100 0.170 0.000 1.073 221 Y CB 1.236 39.723 38.460 0.044 0.000 1.211 221 Y HN 0.757 nan 8.280 nan 0.000 0.433 222 Y N 6.803 126.876 120.300 -0.378 0.000 2.335 222 Y HA 0.287 4.837 4.550 -0.000 0.000 0.331 222 Y C 0.530 176.096 175.900 -0.555 0.000 1.094 222 Y CA -0.273 57.670 58.100 -0.262 0.000 1.253 222 Y CB 0.830 39.237 38.460 -0.089 0.000 1.203 222 Y HN 0.758 nan 8.280 nan 0.000 0.508 223 I N 4.522 124.606 120.570 -0.810 0.000 2.142 223 I HA -0.333 3.837 4.170 -0.000 0.000 0.240 223 I C 1.201 176.941 176.117 -0.628 0.000 1.078 223 I CA 1.664 62.566 61.300 -0.663 0.000 1.343 223 I CB -0.738 36.764 38.000 -0.830 0.000 1.046 223 I HN 0.672 nan 8.210 nan 0.000 0.405 224 Y N -0.190 119.778 120.300 -0.554 0.000 2.477 224 Y HA 0.106 4.656 4.550 -0.000 0.000 0.303 224 Y C 0.885 176.855 175.900 0.116 0.000 1.202 224 Y CA -0.468 57.570 58.100 -0.102 0.000 1.282 224 Y CB -1.025 37.462 38.460 0.045 0.000 1.071 224 Y HN 0.081 nan 8.280 nan 0.000 0.510 225 N N 1.976 120.780 118.700 0.174 0.000 2.421 225 N HA -0.028 4.712 4.740 -0.000 0.000 0.260 225 N C 0.625 176.162 175.510 0.045 0.000 1.173 225 N CA 0.277 53.392 53.050 0.108 0.000 0.960 225 N CB 0.312 38.749 38.487 -0.084 0.000 1.273 225 N HN 0.399 nan 8.380 nan 0.000 0.497 226 E N 2.393 122.638 120.200 0.075 0.000 2.204 226 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 226 E C 0.982 177.609 176.600 0.045 0.000 0.990 226 E CA 0.960 57.395 56.400 0.060 0.000 0.821 226 E CB 0.210 29.942 29.700 0.055 0.000 0.750 226 E HN 0.619 nan 8.360 nan 0.000 0.477 227 K N 0.334 120.754 120.400 0.034 0.000 2.152 227 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 227 K C 1.130 177.754 176.600 0.040 0.000 1.048 227 K CA 0.671 56.973 56.287 0.024 0.000 0.933 227 K CB -0.137 32.368 32.500 0.007 0.000 0.721 227 K HN 0.214 nan 8.250 nan 0.000 0.447 228 G N 0.995 109.850 108.800 0.092 0.000 2.587 228 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.212 228 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.212 228 G C -1.506 173.543 174.900 0.248 0.000 1.327 228 G CA -0.489 44.718 45.100 0.178 0.000 0.898 228 G HN 0.130 nan 8.290 nan 0.000 0.551 229 L N 1.356 122.631 121.223 0.087 0.000 2.283 229 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 229 L C 0.285 177.129 176.870 -0.042 0.000 1.033 229 L CA -0.556 54.299 54.840 0.024 0.000 0.848 229 L CB 0.661 42.600 42.059 -0.200 0.000 1.226 229 L HN 0.568 nan 8.230 nan 0.000 0.429 230 E N 4.079 124.285 120.200 0.011 0.000 2.229 230 E HA 0.439 4.789 4.350 -0.000 0.000 0.283 230 E C -1.027 175.603 176.600 0.050 0.000 1.030 230 E CA -0.522 55.893 56.400 0.025 0.000 0.836 230 E CB 1.894 31.599 29.700 0.010 0.000 1.068 230 E HN 0.385 nan 8.360 nan 0.000 0.401 231 V N 3.205 123.177 119.914 0.097 0.000 2.540 231 V HA 0.232 4.352 4.120 -0.000 0.000 0.302 231 V C 0.065 176.193 176.094 0.056 0.000 1.035 231 V CA -0.768 61.591 62.300 0.098 0.000 0.873 231 V CB 2.098 34.028 31.823 0.177 0.000 0.992 231 V HN 0.678 nan 8.190 nan 0.000 0.428 232 T N 6.029 120.600 114.554 0.029 0.000 2.845 232 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 232 T C -0.174 174.528 174.700 0.003 0.000 0.980 232 T CA -0.172 61.934 62.100 0.011 0.000 1.071 232 T CB 0.597 69.467 68.868 0.004 0.000 0.941 232 T HN 0.324 nan 8.240 nan 0.000 0.487 233 I N 4.067 124.632 120.570 -0.009 0.000 2.412 233 I HA 0.225 4.395 4.170 -0.000 0.000 0.279 233 I C 0.417 176.519 176.117 -0.025 0.000 1.063 233 I CA -0.470 60.818 61.300 -0.020 0.000 1.193 233 I CB 0.208 38.188 38.000 -0.034 0.000 1.370 233 I HN 0.533 nan 8.210 nan 0.000 0.479 234 T N 5.274 119.817 114.554 -0.018 0.000 2.744 234 T HA 0.699 5.049 4.350 -0.000 0.000 0.291 234 T C 0.213 174.899 174.700 -0.024 0.000 0.957 234 T CA -0.456 61.631 62.100 -0.023 0.000 1.002 234 T CB 1.471 70.331 68.868 -0.013 0.000 0.919 234 T HN 0.659 nan 8.240 nan 0.000 0.468 235 A N 4.623 127.411 122.820 -0.054 0.000 2.375 235 A HA 0.786 5.105 4.320 -0.000 0.000 0.295 235 A C -0.202 177.296 177.584 -0.143 0.000 1.066 235 A CA -1.121 50.875 52.037 -0.069 0.000 0.722 235 A CB 1.095 20.033 19.000 -0.102 0.000 1.206 235 A HN 0.910 nan 8.150 nan 0.000 0.435 236 R N 1.337 121.774 120.500 -0.104 0.000 2.771 236 R HA 0.770 5.110 4.340 -0.000 0.000 0.274 236 R C -1.342 174.876 176.300 -0.137 0.000 0.987 236 R CA -0.752 55.268 56.100 -0.134 0.000 0.908 236 R CB 0.846 31.124 30.300 -0.037 0.000 1.213 236 R HN 0.321 nan 8.270 nan 0.000 0.468 237 F N 1.040 120.879 119.950 -0.184 0.000 2.532 237 F HA 0.056 4.583 4.527 -0.000 0.000 0.323 237 F C 1.789 177.395 175.800 -0.324 0.000 1.234 237 F CA -0.132 57.667 58.000 -0.335 0.000 1.323 237 F CB 0.404 38.807 39.000 -0.996 0.000 1.183 237 F HN 0.391 nan 8.300 nan 0.000 0.589 238 L N 0.797 121.994 121.223 -0.044 0.000 2.465 238 L HA -0.174 4.166 4.340 -0.000 0.000 0.224 238 L C 0.862 177.786 176.870 0.090 0.000 1.145 238 L CA 0.711 55.583 54.840 0.054 0.000 0.834 238 L CB -0.675 41.474 42.059 0.150 0.000 0.944 238 L HN 0.689 nan 8.230 nan 0.000 0.451 239 Y N -2.917 117.491 120.300 0.180 0.000 2.607 239 Y HA 0.625 5.175 4.550 -0.000 0.000 0.266 239 Y C 1.410 177.370 175.900 0.099 0.000 1.178 239 Y CA -0.133 58.032 58.100 0.108 0.000 1.226 239 Y CB -0.131 38.368 38.460 0.066 0.000 1.144 239 Y HN 0.017 nan 8.280 nan 0.000 0.528 240 G N 0.117 108.941 108.800 0.039 0.000 2.399 240 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 240 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 240 G C 0.396 175.333 174.900 0.062 0.000 1.096 240 G CA -0.317 44.822 45.100 0.066 0.000 0.650 240 G HN 0.133 nan 8.290 nan 0.000 0.512 241 K N 1.853 122.308 120.400 0.092 0.000 2.455 241 K HA 0.270 4.590 4.320 -0.000 0.000 0.269 241 K C 0.832 177.553 176.600 0.202 0.000 0.972 241 K CA 0.414 56.790 56.287 0.149 0.000 0.938 241 K CB 0.363 32.984 32.500 0.201 0.000 0.931 241 K HN 0.589 nan 8.250 nan 0.000 0.507 242 K N 0.327 120.836 120.400 0.180 0.000 2.090 242 K HA 0.331 4.651 4.320 -0.000 0.000 0.250 242 K C -0.229 176.449 176.600 0.130 0.000 1.004 242 K CA -0.786 55.561 56.287 0.101 0.000 0.919 242 K CB 0.876 33.405 32.500 0.048 0.000 1.045 242 K HN 0.120 nan 8.250 nan 0.000 0.471 243 V N 2.200 122.034 119.914 -0.134 0.000 2.435 243 V HA 0.145 4.264 4.120 -0.000 0.000 0.290 243 V C -0.425 175.560 176.094 -0.182 0.000 1.030 243 V CA -0.659 61.428 62.300 -0.357 0.000 0.881 243 V CB 1.492 32.804 31.823 -0.852 0.000 0.983 243 V HN 0.625 nan 8.190 nan 0.000 0.445 244 E N 3.680 123.838 120.200 -0.069 0.000 2.114 244 E HA 0.693 5.043 4.350 -0.000 0.000 0.266 244 E C 0.239 176.809 176.600 -0.050 0.000 0.896 244 E CA 0.005 56.442 56.400 0.062 0.000 0.750 244 E CB 1.987 31.811 29.700 0.205 0.000 1.121 244 E HN 0.923 nan 8.360 nan 0.000 0.413 245 G N 1.557 110.202 108.800 -0.259 0.000 2.510 245 G HA2 0.373 4.333 3.960 -0.000 0.000 0.277 245 G HA3 0.373 4.333 3.960 -0.000 0.000 0.277 245 G C -0.983 173.660 174.900 -0.428 0.000 1.223 245 G CA -0.408 44.285 45.100 -0.677 0.000 0.887 245 G HN 0.271 nan 8.290 nan 0.000 0.485 246 T N 0.044 114.385 114.554 -0.355 0.000 2.893 246 T HA 0.773 5.123 4.350 -0.000 0.000 0.291 246 T C -0.248 174.257 174.700 -0.324 0.000 1.028 246 T CA 0.270 62.182 62.100 -0.312 0.000 0.995 246 T CB 1.692 70.363 68.868 -0.328 0.000 1.051 246 T HN 1.322 nan 8.240 nan 0.000 0.470 247 A N 1.645 124.220 122.820 -0.409 0.000 2.355 247 A HA 0.873 5.193 4.320 -0.000 0.000 0.324 247 A C -1.429 175.822 177.584 -0.555 0.000 1.117 247 A CA -0.706 51.143 52.037 -0.314 0.000 0.785 247 A CB 0.706 19.607 19.000 -0.166 0.000 1.254 247 A HN 0.738 nan 8.150 nan 0.000 0.453 248 F N 1.643 121.565 119.950 -0.048 0.000 2.513 248 F HA 0.474 5.001 4.527 -0.000 0.000 0.358 248 F C 0.053 175.802 175.800 -0.084 0.000 1.118 248 F CA -0.593 57.375 58.000 -0.053 0.000 1.037 248 F CB 1.942 40.920 39.000 -0.038 0.000 1.276 248 F HN 0.393 nan 8.300 nan 0.000 0.446 249 V N 5.952 125.861 119.914 -0.009 0.000 2.547 249 V HA 0.701 4.821 4.120 -0.000 0.000 0.299 249 V C -0.946 175.015 176.094 -0.221 0.000 1.040 249 V CA -0.673 61.534 62.300 -0.156 0.000 0.913 249 V CB 1.879 33.555 31.823 -0.245 0.000 0.992 249 V HN 0.700 nan 8.190 nan 0.000 0.449 250 I N 5.291 125.655 120.570 -0.343 0.000 2.722 250 I HA 0.563 4.733 4.170 -0.000 0.000 0.295 250 I C -1.436 174.388 176.117 -0.490 0.000 1.161 250 I CA -0.597 60.524 61.300 -0.298 0.000 1.032 250 I CB 2.093 40.042 38.000 -0.084 0.000 1.244 250 I HN 0.655 nan 8.210 nan 0.000 0.421 251 F N 4.039 123.901 119.950 -0.146 0.000 2.535 251 F HA 0.936 5.462 4.527 -0.000 0.000 0.367 251 F C 0.849 176.359 175.800 -0.483 0.000 1.096 251 F CA -0.381 57.439 58.000 -0.301 0.000 1.088 251 F CB 1.677 40.529 39.000 -0.247 0.000 1.387 251 F HN 0.468 nan 8.300 nan 0.000 0.494 252 G N -0.034 108.436 108.800 -0.549 0.000 2.442 252 G HA2 0.472 4.432 3.960 -0.000 0.000 0.296 252 G HA3 0.472 4.432 3.960 -0.000 0.000 0.296 252 G C -2.025 172.552 174.900 -0.537 0.000 1.564 252 G CA -0.899 43.793 45.100 -0.680 0.000 0.828 252 G HN 0.519 nan 8.290 nan 0.000 0.571 253 I N 0.621 121.133 120.570 -0.096 0.000 2.385 253 I HA 0.399 4.569 4.170 -0.000 0.000 0.294 253 I C 0.231 176.482 176.117 0.225 0.000 0.988 253 I CA -0.593 60.730 61.300 0.038 0.000 1.265 253 I CB 2.024 40.024 38.000 0.000 0.000 1.388 253 I HN 0.471 nan 8.210 nan 0.000 0.480 254 Q N 5.271 125.204 119.800 0.222 0.000 2.394 254 Q HA 0.194 4.534 4.340 -0.000 0.000 0.259 254 Q C -0.847 175.209 176.000 0.093 0.000 1.021 254 Q CA -0.614 55.299 55.803 0.184 0.000 0.805 254 Q CB 1.308 30.159 28.738 0.189 0.000 1.226 254 Q HN 0.590 nan 8.270 nan 0.000 0.476 255 D N 2.232 122.672 120.400 0.067 0.000 2.376 255 D HA 0.220 4.860 4.640 -0.000 0.000 0.268 255 D C -0.005 176.314 176.300 0.032 0.000 1.252 255 D CA -0.013 54.013 54.000 0.042 0.000 1.041 255 D CB 0.570 41.390 40.800 0.033 0.000 1.109 255 D HN 0.658 nan 8.370 nan 0.000 0.552 256 G N 0.567 109.382 108.800 0.024 0.000 2.428 256 G HA2 0.163 4.123 3.960 -0.000 0.000 0.290 256 G HA3 0.163 4.123 3.960 -0.000 0.000 0.290 256 G C -0.144 174.763 174.900 0.011 0.000 0.996 256 G CA 0.111 45.222 45.100 0.019 0.000 1.406 256 G HN 0.574 nan 8.290 nan 0.000 0.445 257 E N -0.712 119.492 120.200 0.007 0.000 2.440 257 E HA -0.224 4.126 4.350 -0.000 0.000 0.246 257 E C 0.294 176.889 176.600 -0.008 0.000 1.165 257 E CA 1.508 57.905 56.400 -0.005 0.000 0.726 257 E CB -1.284 28.413 29.700 -0.005 0.000 1.271 257 E HN 0.849 nan 8.360 nan 0.000 0.397 258 Q N -0.321 119.478 119.800 -0.002 0.000 2.377 258 Q HA 0.552 4.892 4.340 -0.000 0.000 0.279 258 Q C -1.181 174.827 176.000 0.013 0.000 1.049 258 Q CA -0.891 54.913 55.803 0.002 0.000 0.825 258 Q CB 1.389 30.134 28.738 0.013 0.000 1.401 258 Q HN 0.136 nan 8.270 nan 0.000 0.404 259 R N 3.046 123.552 120.500 0.010 0.000 2.476 259 R HA 0.500 4.840 4.340 -0.000 0.000 0.305 259 R C -0.838 175.527 176.300 0.109 0.000 0.965 259 R CA -0.748 55.385 56.100 0.056 0.000 0.867 259 R CB 1.340 31.581 30.300 -0.098 0.000 1.176 259 R HN 0.506 nan 8.270 nan 0.000 0.447 260 I N 2.452 123.121 120.570 0.165 0.000 2.388 260 I HA 0.122 4.292 4.170 -0.000 0.000 0.281 260 I C 0.718 176.919 176.117 0.140 0.000 1.046 260 I CA -0.272 61.098 61.300 0.117 0.000 1.187 260 I CB 0.833 38.874 38.000 0.069 0.000 1.351 260 I HN 0.519 nan 8.210 nan 0.000 0.472 261 S N 6.580 122.372 115.700 0.153 0.000 2.566 261 S HA 0.322 4.792 4.470 -0.000 0.000 0.280 261 S C 0.040 174.670 174.600 0.050 0.000 1.343 261 S CA -0.068 58.212 58.200 0.133 0.000 1.036 261 S CB 0.392 63.668 63.200 0.126 0.000 0.866 261 S HN 0.466 nan 8.310 nan 0.000 0.526 262 L N 6.222 127.454 121.223 0.016 0.000 2.387 262 L HA 0.318 4.658 4.340 -0.000 0.000 0.259 262 L C -1.836 175.050 176.870 0.027 0.000 1.050 262 L CA -1.763 53.083 54.840 0.010 0.000 0.922 262 L CB 1.321 43.375 42.059 -0.010 0.000 1.280 262 L HN 0.523 nan 8.230 nan 0.000 0.449 263 P HA -0.191 nan 4.420 nan 0.000 0.219 263 P C 1.298 178.617 177.300 0.032 0.000 1.146 263 P CA 1.007 64.124 63.100 0.029 0.000 0.808 263 P CB 0.389 32.103 31.700 0.023 0.000 0.779 264 E N 0.203 120.419 120.200 0.028 0.000 2.208 264 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 264 E C 0.538 177.165 176.600 0.045 0.000 0.988 264 E CA 0.703 57.119 56.400 0.027 0.000 0.828 264 E CB -0.130 29.577 29.700 0.013 0.000 0.763 264 E HN 0.189 nan 8.360 nan 0.000 0.478 265 S N 1.039 116.780 115.700 0.068 0.000 3.149 265 S HA 0.224 4.694 4.470 -0.000 0.000 0.228 265 S C -0.249 174.451 174.600 0.167 0.000 1.393 265 S CA -0.666 57.620 58.200 0.144 0.000 1.224 265 S CB 0.059 63.390 63.200 0.217 0.000 1.112 265 S HN 0.153 nan 8.310 nan 0.000 0.502 266 L N 1.800 123.080 121.223 0.096 0.000 2.313 266 L HA 0.712 5.052 4.340 -0.000 0.000 0.283 266 L C -0.829 176.083 176.870 0.070 0.000 1.013 266 L CA -0.068 54.815 54.840 0.071 0.000 0.816 266 L CB 1.143 43.239 42.059 0.061 0.000 1.236 266 L HN 0.131 nan 8.230 nan 0.000 0.419 267 K N 4.222 124.654 120.400 0.054 0.000 2.444 267 K HA 0.521 4.840 4.320 -0.000 0.000 0.252 267 K C -1.086 175.505 176.600 -0.015 0.000 0.993 267 K CA -0.718 55.588 56.287 0.031 0.000 0.847 267 K CB 2.320 34.846 32.500 0.043 0.000 1.340 267 K HN 0.561 nan 8.250 nan 0.000 0.446 268 R N 2.382 122.845 120.500 -0.062 0.000 2.547 268 R HA 0.313 4.653 4.340 -0.000 0.000 0.280 268 R C -0.412 175.777 176.300 -0.184 0.000 1.630 268 R CA -0.293 55.690 56.100 -0.196 0.000 1.470 268 R CB -0.088 30.110 30.300 -0.170 0.000 1.178 268 R HN 0.697 nan 8.270 nan 0.000 0.591 269 I N 0.528 120.990 120.570 -0.180 0.000 2.342 269 I HA 0.564 4.734 4.170 -0.000 0.000 0.291 269 I C -2.419 173.603 176.117 -0.159 0.000 1.010 269 I CA -2.811 58.412 61.300 -0.128 0.000 1.308 269 I CB 1.239 39.191 38.000 -0.081 0.000 1.400 269 I HN 0.222 nan 8.210 nan 0.000 0.488 270 P HA 0.176 nan 4.420 nan 0.000 0.271 270 P C -0.574 176.677 177.300 -0.082 0.000 1.216 270 P CA -0.082 62.960 63.100 -0.096 0.000 0.771 270 P CB 0.529 32.203 31.700 -0.042 0.000 0.864 271 I N 3.642 124.154 120.570 -0.097 0.000 2.276 271 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 271 I C 0.720 176.813 176.117 -0.039 0.000 1.109 271 I CA -0.064 61.184 61.300 -0.087 0.000 1.229 271 I CB -0.640 37.277 38.000 -0.139 0.000 1.452 271 I HN 0.309 nan 8.210 nan 0.000 0.497 272 E N 4.278 124.466 120.200 -0.019 0.000 2.204 272 E HA 0.170 4.520 4.350 -0.000 0.000 0.276 272 E C -0.031 176.565 176.600 -0.007 0.000 0.974 272 E CA -0.538 55.865 56.400 0.004 0.000 0.815 272 E CB 1.321 31.025 29.700 0.005 0.000 1.119 272 E HN 0.356 nan 8.360 nan 0.000 0.393 273 D N 1.867 122.269 120.400 0.004 0.000 2.870 273 D HA -0.174 4.466 4.640 -0.000 0.000 0.228 273 D C 0.440 176.735 176.300 -0.009 0.000 1.147 273 D CA 1.538 55.540 54.000 0.003 0.000 0.757 273 D CB -1.219 39.582 40.800 0.001 0.000 1.091 273 D HN 0.936 nan 8.370 nan 0.000 0.429 274 G N -1.042 107.740 108.800 -0.028 0.000 2.272 274 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.280 274 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.280 274 G C 0.050 174.917 174.900 -0.055 0.000 1.067 274 G CA 1.297 46.361 45.100 -0.059 0.000 0.902 274 G HN 1.325 nan 8.290 nan 0.000 0.500 275 S N -2.005 113.664 115.700 -0.052 0.000 2.597 275 S HA 0.848 5.318 4.470 -0.000 0.000 0.274 275 S C 0.003 174.577 174.600 -0.043 0.000 1.132 275 S CA 0.610 58.785 58.200 -0.043 0.000 0.835 275 S CB 1.304 64.489 63.200 -0.026 0.000 1.092 275 S HN 1.895 nan 8.310 nan 0.000 0.457 276 G N 0.778 109.555 108.800 -0.039 0.000 2.788 276 G HA2 0.691 4.651 3.960 -0.000 0.000 0.293 276 G HA3 0.691 4.651 3.960 -0.000 0.000 0.293 276 G C -1.883 173.003 174.900 -0.023 0.000 1.392 276 G CA -0.478 44.599 45.100 -0.038 0.000 0.810 276 G HN 0.677 nan 8.290 nan 0.000 0.508 277 E N -1.051 119.138 120.200 -0.018 0.000 2.307 277 E HA 0.528 4.878 4.350 -0.000 0.000 0.280 277 E C -1.796 174.812 176.600 0.012 0.000 0.900 277 E CA -0.569 55.830 56.400 -0.000 0.000 0.790 277 E CB 2.058 31.757 29.700 -0.001 0.000 1.261 277 E HN 0.760 nan 8.360 nan 0.000 0.405 278 V N 4.757 124.696 119.914 0.041 0.000 2.789 278 V HA 0.789 4.909 4.120 -0.000 0.000 0.311 278 V C -1.477 174.689 176.094 0.120 0.000 1.073 278 V CA -0.575 61.775 62.300 0.082 0.000 0.921 278 V CB 2.035 33.920 31.823 0.102 0.000 1.009 278 V HN 0.559 nan 8.190 nan 0.000 0.426 279 V N 6.782 126.755 119.914 0.098 0.000 2.588 279 V HA 0.471 4.591 4.120 -0.000 0.000 0.304 279 V C -0.543 175.529 176.094 -0.036 0.000 1.042 279 V CA -0.682 61.639 62.300 0.035 0.000 0.877 279 V CB 1.638 33.466 31.823 0.008 0.000 0.996 279 V HN 0.782 nan 8.190 nan 0.000 0.425 280 L N 5.916 126.992 121.223 -0.245 0.000 2.282 280 L HA 0.487 4.827 4.340 -0.000 0.000 0.287 280 L C 0.778 177.489 176.870 -0.266 0.000 1.075 280 L CA 0.161 54.703 54.840 -0.496 0.000 0.839 280 L CB 0.899 42.203 42.059 -1.259 0.000 1.219 280 L HN 0.829 nan 8.230 nan 0.000 0.434 281 S N 3.750 119.359 115.700 -0.152 0.000 2.552 281 S HA 0.055 4.525 4.470 -0.000 0.000 0.289 281 S C 1.245 175.794 174.600 -0.085 0.000 1.304 281 S CA -0.093 58.059 58.200 -0.080 0.000 1.063 281 S CB 0.465 63.637 63.200 -0.046 0.000 0.848 281 S HN 0.829 nan 8.310 nan 0.000 0.499 282 R N 1.302 121.788 120.500 -0.024 0.000 2.193 282 R HA -0.125 4.215 4.340 -0.000 0.000 0.229 282 R C 1.956 178.243 176.300 -0.021 0.000 1.110 282 R CA 1.412 57.516 56.100 0.006 0.000 0.988 282 R CB -0.215 30.124 30.300 0.064 0.000 0.871 282 R HN 0.718 nan 8.270 nan 0.000 0.458 283 K N 0.188 120.574 120.400 -0.023 0.000 2.002 283 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 283 K C 1.745 178.323 176.600 -0.036 0.000 1.048 283 K CA 1.832 58.106 56.287 -0.022 0.000 0.930 283 K CB -0.454 32.038 32.500 -0.014 0.000 0.714 283 K HN 0.041 nan 8.250 nan 0.000 0.438 284 V N 1.263 121.147 119.914 -0.051 0.000 2.407 284 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 284 V C 2.304 178.352 176.094 -0.077 0.000 1.055 284 V CA 1.639 63.906 62.300 -0.055 0.000 1.049 284 V CB -0.594 31.194 31.823 -0.058 0.000 0.662 284 V HN 0.345 nan 8.190 nan 0.000 0.455 285 L N -0.174 120.980 121.223 -0.115 0.000 2.042 285 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 285 L C 2.155 178.971 176.870 -0.091 0.000 1.076 285 L CA 1.990 56.745 54.840 -0.143 0.000 0.749 285 L CB -0.524 41.413 42.059 -0.205 0.000 0.893 285 L HN 0.225 nan 8.230 nan 0.000 0.432 286 L N -0.994 120.191 121.223 -0.063 0.000 2.217 286 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 286 L C 1.953 178.802 176.870 -0.034 0.000 1.107 286 L CA 0.724 55.538 54.840 -0.044 0.000 0.783 286 L CB -0.725 41.315 42.059 -0.031 0.000 0.919 286 L HN 0.238 nan 8.230 nan 0.000 0.442 287 D N 0.269 120.650 120.400 -0.032 0.000 2.224 287 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 287 D C 2.102 178.389 176.300 -0.021 0.000 0.965 287 D CA 1.166 55.153 54.000 -0.022 0.000 0.852 287 D CB -0.214 40.575 40.800 -0.018 0.000 0.947 287 D HN 0.284 nan 8.370 nan 0.000 0.494 288 G N 1.235 110.017 108.800 -0.031 0.000 2.511 288 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.216 288 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.216 288 G C 0.891 175.780 174.900 -0.017 0.000 1.218 288 G CA 1.329 46.414 45.100 -0.025 0.000 0.788 288 G HN 0.312 nan 8.290 nan 0.000 0.560 289 V N -1.881 118.020 119.914 -0.022 0.000 3.051 289 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 289 V C 0.556 176.644 176.094 -0.011 0.000 1.083 289 V CA -0.458 61.834 62.300 -0.014 0.000 1.104 289 V CB 1.450 33.262 31.823 -0.018 0.000 1.027 289 V HN 0.269 nan 8.190 nan 0.000 0.483 290 Q N 1.448 121.244 119.800 -0.006 0.000 2.228 290 Q HA 0.256 4.596 4.340 -0.000 0.000 0.211 290 Q C -0.124 175.872 176.000 -0.005 0.000 0.890 290 Q CA 0.105 55.905 55.803 -0.005 0.000 0.953 290 Q CB -0.362 28.375 28.738 -0.001 0.000 1.053 290 Q HN 0.834 nan 8.270 nan 0.000 0.471 291 N N 1.351 120.046 118.700 -0.009 0.000 2.476 291 N HA 0.204 4.944 4.740 -0.000 0.000 0.257 291 N C -1.971 173.532 175.510 -0.012 0.000 0.970 291 N CA -1.853 51.192 53.050 -0.009 0.000 0.938 291 N CB 1.808 40.289 38.487 -0.010 0.000 1.144 291 N HN -0.177 nan 8.380 nan 0.000 0.500 292 P HA -0.103 nan 4.420 nan 0.000 0.215 292 P C 0.063 177.357 177.300 -0.011 0.000 1.157 292 P CA 0.967 64.063 63.100 -0.007 0.000 0.874 292 P CB 0.256 31.955 31.700 -0.002 0.000 0.790 293 R N -0.083 120.411 120.500 -0.010 0.000 2.489 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.287 293 R C 1.006 177.284 176.300 -0.036 0.000 1.053 293 R CA 0.234 56.326 56.100 -0.014 0.000 1.036 293 R CB 0.305 30.601 30.300 -0.006 0.000 0.966 293 R HN 0.028 nan 8.270 nan 0.000 0.432 294 A N 3.796 126.579 122.820 -0.061 0.000 2.132 294 A HA -0.009 4.311 4.320 -0.000 0.000 0.213 294 A C 1.256 178.753 177.584 -0.145 0.000 1.154 294 A CA 0.490 52.459 52.037 -0.112 0.000 0.753 294 A CB 0.089 18.988 19.000 -0.167 0.000 0.826 294 A HN 0.824 nan 8.150 nan 0.000 0.469 295 E N 0.748 120.883 120.200 -0.108 0.000 2.478 295 E HA -0.057 4.293 4.350 -0.000 0.000 0.198 295 E C 0.694 177.262 176.600 -0.052 0.000 1.046 295 E CA 0.616 56.963 56.400 -0.088 0.000 0.870 295 E CB -0.040 29.648 29.700 -0.021 0.000 0.818 295 E HN 0.515 nan 8.360 nan 0.000 0.527 296 D N -0.413 119.961 120.400 -0.044 0.000 2.333 296 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 296 D C 1.376 177.660 176.300 -0.026 0.000 0.984 296 D CA 0.382 54.367 54.000 -0.025 0.000 0.873 296 D CB 0.309 41.099 40.800 -0.018 0.000 0.935 296 D HN 0.263 nan 8.370 nan 0.000 0.521 297 L N 0.788 121.986 121.223 -0.042 0.000 2.554 297 L HA 0.042 4.382 4.340 -0.000 0.000 0.226 297 L C 0.571 177.428 176.870 -0.021 0.000 1.137 297 L CA 0.028 54.849 54.840 -0.032 0.000 0.863 297 L CB 0.209 42.242 42.059 -0.043 0.000 0.985 297 L HN -0.233 nan 8.230 nan 0.000 0.451 298 V N 1.412 121.306 119.914 -0.034 0.000 2.425 298 V HA 0.242 4.362 4.120 -0.000 0.000 0.276 298 V C 1.207 177.303 176.094 0.004 0.000 1.017 298 V CA 1.179 63.467 62.300 -0.021 0.000 1.062 298 V CB 0.064 31.868 31.823 -0.033 0.000 0.997 298 V HN 0.627 nan 8.190 nan 0.000 0.476 299 G N 4.538 113.350 108.800 0.021 0.000 2.481 299 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.200 299 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.200 299 G C 0.411 175.333 174.900 0.038 0.000 1.012 299 G CA -0.168 44.950 45.100 0.030 0.000 0.676 299 G HN 0.559 nan 8.290 nan 0.000 0.488 300 K N 0.888 121.308 120.400 0.033 0.000 2.332 300 K HA 0.614 4.934 4.320 -0.000 0.000 0.246 300 K C 0.639 177.271 176.600 0.054 0.000 1.066 300 K CA 0.490 56.801 56.287 0.040 0.000 0.898 300 K CB 0.616 33.133 32.500 0.027 0.000 1.192 300 K HN 0.619 nan 8.250 nan 0.000 0.509 301 S N -0.757 114.980 115.700 0.062 0.000 2.651 301 S HA 0.623 5.093 4.470 -0.000 0.000 0.279 301 S C -0.991 173.654 174.600 0.075 0.000 1.148 301 S CA -1.096 57.151 58.200 0.077 0.000 0.837 301 S CB 0.919 64.177 63.200 0.097 0.000 1.138 301 S HN 0.378 nan 8.310 nan 0.000 0.478 302 L N 1.228 122.492 121.223 0.068 0.000 2.341 302 L HA 0.708 5.048 4.340 -0.000 0.000 0.267 302 L C -1.429 175.523 176.870 0.137 0.000 1.009 302 L CA -1.122 53.734 54.840 0.026 0.000 0.819 302 L CB 1.914 43.919 42.059 -0.090 0.000 1.323 302 L HN 0.950 nan 8.230 nan 0.000 0.425 303 Y N -0.294 120.046 120.300 0.067 0.000 2.457 303 Y HA 0.779 5.329 4.550 -0.000 0.000 0.343 303 Y C -1.152 174.782 175.900 0.057 0.000 0.994 303 Y CA -1.274 56.859 58.100 0.055 0.000 1.031 303 Y CB 1.219 39.696 38.460 0.027 0.000 1.246 303 Y HN 0.136 nan 8.280 nan 0.000 0.449 304 V N 2.888 122.869 119.914 0.111 0.000 2.483 304 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 304 V C -0.360 175.718 176.094 -0.027 0.000 1.035 304 V CA -0.590 61.659 62.300 -0.084 0.000 0.896 304 V CB 1.610 33.379 31.823 -0.090 0.000 0.986 304 V HN 0.860 nan 8.190 nan 0.000 0.447 305 S N 3.657 119.286 115.700 -0.117 0.000 2.653 305 S HA 0.740 5.210 4.470 -0.000 0.000 0.272 305 S C -0.177 174.376 174.600 -0.079 0.000 1.221 305 S CA -0.169 58.010 58.200 -0.035 0.000 1.149 305 S CB 0.463 63.687 63.200 0.041 0.000 1.029 305 S HN 1.065 nan 8.310 nan 0.000 0.481 306 A N 3.215 126.002 122.820 -0.056 0.000 2.269 306 A HA 0.887 5.206 4.320 -0.000 0.000 0.319 306 A C -0.124 177.478 177.584 0.030 0.000 1.110 306 A CA -0.581 51.438 52.037 -0.031 0.000 0.847 306 A CB 1.084 20.058 19.000 -0.043 0.000 1.161 306 A HN 0.640 nan 8.150 nan 0.000 0.497 307 T N 0.795 115.400 114.554 0.086 0.000 3.335 307 T HA 0.398 4.748 4.350 -0.000 0.000 0.321 307 T C -1.031 173.788 174.700 0.199 0.000 0.960 307 T CA -0.316 61.867 62.100 0.139 0.000 1.034 307 T CB 0.916 69.875 68.868 0.152 0.000 1.040 307 T HN 0.499 nan 8.240 nan 0.000 0.454 308 V N 5.073 125.093 119.914 0.176 0.000 2.439 308 V HA 0.583 4.703 4.120 -0.000 0.000 0.282 308 V C -0.078 176.161 176.094 0.243 0.000 1.039 308 V CA -0.605 61.793 62.300 0.164 0.000 0.913 308 V CB 1.262 33.183 31.823 0.163 0.000 0.983 308 V HN 0.763 nan 8.190 nan 0.000 0.460 309 I N 5.267 125.911 120.570 0.124 0.000 2.478 309 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 309 I C -0.115 175.969 176.117 -0.055 0.000 1.042 309 I CA -0.519 60.856 61.300 0.126 0.000 1.067 309 I CB 1.881 39.993 38.000 0.187 0.000 1.233 309 I HN 0.416 nan 8.210 nan 0.000 0.431 310 L N 4.560 125.765 121.223 -0.030 0.000 2.473 310 L HA 0.045 4.385 4.340 -0.000 0.000 0.265 310 L C 1.123 177.924 176.870 -0.115 0.000 1.243 310 L CA 0.094 54.866 54.840 -0.114 0.000 0.822 310 L CB 0.097 42.183 42.059 0.044 0.000 1.101 310 L HN 0.636 nan 8.230 nan 0.000 0.507 311 H N -1.239 117.850 119.070 0.032 0.000 2.547 311 H HA -0.067 4.489 4.556 -0.000 0.000 0.272 311 H C 1.979 177.339 175.328 0.054 0.000 0.989 311 H CA 0.984 57.054 56.048 0.038 0.000 1.214 311 H CB 0.225 30.002 29.762 0.025 0.000 1.389 311 H HN 0.668 nan 8.280 nan 0.000 0.577 312 S N -0.954 114.843 115.700 0.162 0.000 2.503 312 S HA 0.104 4.574 4.470 -0.000 0.000 0.217 312 S C 1.797 176.460 174.600 0.105 0.000 0.999 312 S CA 0.222 58.498 58.200 0.128 0.000 0.914 312 S CB 0.074 63.351 63.200 0.129 0.000 0.782 312 S HN 0.537 nan 8.310 nan 0.000 0.520 313 G N 0.898 109.758 108.800 0.101 0.000 2.295 313 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.287 313 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.287 313 G C 0.511 175.466 174.900 0.092 0.000 1.055 313 G CA 0.466 45.620 45.100 0.089 0.000 0.922 313 G HN 0.590 nan 8.290 nan 0.000 0.503 314 S N -1.155 114.615 115.700 0.117 0.000 2.506 314 S HA 0.284 4.754 4.470 -0.000 0.000 0.219 314 S C 0.501 175.176 174.600 0.125 0.000 1.031 314 S CA 0.665 58.934 58.200 0.115 0.000 0.911 314 S CB 0.690 63.967 63.200 0.129 0.000 0.812 314 S HN 0.678 nan 8.310 nan 0.000 0.497 315 D N 0.105 120.605 120.400 0.167 0.000 2.581 315 D HA 0.584 5.224 4.640 -0.000 0.000 0.232 315 D C -1.207 175.191 176.300 0.163 0.000 1.143 315 D CA -0.443 53.650 54.000 0.156 0.000 0.881 315 D CB 1.616 42.556 40.800 0.233 0.000 1.500 315 D HN 0.019 nan 8.370 nan 0.000 0.458 316 M N 2.981 122.609 119.600 0.046 0.000 2.265 316 M HA 0.369 4.849 4.480 -0.000 0.000 0.251 316 M C -2.166 174.093 176.300 -0.070 0.000 1.005 316 M CA -0.522 54.812 55.300 0.056 0.000 0.998 316 M CB 1.218 33.846 32.600 0.047 0.000 2.070 316 M HN 0.132 nan 8.290 nan 0.000 0.476 317 V N 4.314 124.163 119.914 -0.108 0.000 2.547 317 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 317 V C -0.466 175.602 176.094 -0.043 0.000 1.040 317 V CA -0.480 61.709 62.300 -0.185 0.000 0.913 317 V CB 1.974 33.545 31.823 -0.420 0.000 0.992 317 V HN 0.807 nan 8.190 nan 0.000 0.449 318 Q N 2.625 122.395 119.800 -0.050 0.000 2.333 318 Q HA 0.757 5.097 4.340 -0.000 0.000 0.268 318 Q C -0.413 175.575 176.000 -0.021 0.000 1.007 318 Q CA -0.358 55.434 55.803 -0.018 0.000 0.810 318 Q CB 2.304 31.030 28.738 -0.020 0.000 1.264 318 Q HN 0.914 nan 8.270 nan 0.000 0.452 319 A N 2.681 125.498 122.820 -0.005 0.000 2.309 319 A HA 0.822 5.142 4.320 -0.000 0.000 0.317 319 A C -0.935 176.651 177.584 0.003 0.000 1.134 319 A CA -0.460 51.575 52.037 -0.004 0.000 0.866 319 A CB 1.760 20.762 19.000 0.003 0.000 1.329 319 A HN 0.741 nan 8.150 nan 0.000 0.477 320 E N -0.805 119.402 120.200 0.011 0.000 2.381 320 E HA 0.465 4.815 4.350 -0.000 0.000 0.286 320 E C -1.671 174.954 176.600 0.042 0.000 0.960 320 E CA -0.628 55.790 56.400 0.030 0.000 0.793 320 E CB 1.495 31.212 29.700 0.029 0.000 1.225 320 E HN 0.519 nan 8.360 nan 0.000 0.420 321 R N 2.558 123.097 120.500 0.065 0.000 2.415 321 R HA 0.340 4.679 4.340 -0.000 0.000 0.292 321 R C -1.414 174.957 176.300 0.118 0.000 1.295 321 R CA -0.296 55.849 56.100 0.075 0.000 1.137 321 R CB 0.742 31.080 30.300 0.063 0.000 1.135 321 R HN 0.464 nan 8.270 nan 0.000 0.560 322 S N 1.443 117.208 115.700 0.109 0.000 2.654 322 S HA 0.730 5.200 4.470 -0.000 0.000 0.283 322 S C 0.477 175.141 174.600 0.107 0.000 1.180 322 S CA -0.160 58.123 58.200 0.138 0.000 1.021 322 S CB 1.707 64.951 63.200 0.073 0.000 1.018 322 S HN 1.135 nan 8.310 nan 0.000 0.532 323 G N 0.856 109.727 108.800 0.119 0.000 2.520 323 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.264 323 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.264 323 G C -0.434 174.530 174.900 0.106 0.000 1.140 323 G CA -0.305 44.855 45.100 0.099 0.000 1.012 323 G HN 0.834 nan 8.290 nan 0.000 0.511 324 I N 1.336 121.974 120.570 0.114 0.000 2.347 324 I HA 0.220 4.390 4.170 -0.000 0.000 0.283 324 I C -2.033 174.165 176.117 0.135 0.000 1.058 324 I CA -2.286 59.087 61.300 0.121 0.000 1.202 324 I CB 1.461 39.521 38.000 0.100 0.000 1.386 324 I HN -0.055 nan 8.210 nan 0.000 0.475 325 P HA 0.066 nan 4.420 nan 0.000 0.263 325 P C -0.124 177.295 177.300 0.198 0.000 1.195 325 P CA 0.339 63.528 63.100 0.148 0.000 0.762 325 P CB 0.380 32.161 31.700 0.135 0.000 0.799 326 I N 4.003 124.667 120.570 0.155 0.000 2.517 326 I HA 0.111 4.280 4.170 -0.000 0.000 0.289 326 I C 0.669 176.848 176.117 0.103 0.000 1.149 326 I CA -0.775 60.638 61.300 0.189 0.000 1.189 326 I CB -0.007 38.086 38.000 0.156 0.000 1.641 326 I HN 0.108 nan 8.210 nan 0.000 0.560 327 V N 0.001 119.971 119.914 0.094 0.000 3.134 327 V HA 0.435 4.555 4.120 -0.000 0.000 0.313 327 V C 1.297 177.406 176.094 0.026 0.000 1.069 327 V CA -0.050 62.267 62.300 0.028 0.000 1.048 327 V CB 1.282 33.096 31.823 -0.014 0.000 1.119 327 V HN 0.594 nan 8.190 nan 0.000 0.461 328 T N -2.141 112.430 114.554 0.028 0.000 3.054 328 T HA 0.138 4.488 4.350 -0.000 0.000 0.259 328 T C 0.905 175.726 174.700 0.201 0.000 1.092 328 T CA 0.851 63.013 62.100 0.102 0.000 1.121 328 T CB -0.005 68.925 68.868 0.104 0.000 0.912 328 T HN 0.889 nan 8.240 nan 0.000 0.489 329 S N 1.924 117.659 115.700 0.057 0.000 2.552 329 S HA 0.510 4.980 4.470 -0.000 0.000 0.314 329 S C -2.505 171.973 174.600 -0.204 0.000 1.099 329 S CA -1.657 56.546 58.200 0.005 0.000 1.070 329 S CB 1.655 64.875 63.200 0.034 0.000 0.998 329 S HN -0.048 nan 8.310 nan 0.000 0.474 330 P HA 0.101 nan 4.420 nan 0.000 0.242 330 P C -0.985 175.727 177.300 -0.980 0.000 1.198 330 P CA 0.913 63.416 63.100 -0.996 0.000 0.756 330 P CB -0.205 30.982 31.700 -0.856 0.000 0.911 331 Y N -1.926 118.232 120.300 -0.236 0.000 2.638 331 Y HA 0.549 5.099 4.550 -0.000 0.000 0.339 331 Y C 0.432 176.255 175.900 -0.128 0.000 1.084 331 Y CA -0.955 57.049 58.100 -0.160 0.000 1.068 331 Y CB 1.555 39.938 38.460 -0.127 0.000 1.294 331 Y HN -0.343 nan 8.280 nan 0.000 0.480 332 Q N 1.025 120.865 119.800 0.066 0.000 2.456 332 Q HA 0.713 5.053 4.340 -0.000 0.000 0.284 332 Q C -1.720 174.208 176.000 -0.120 0.000 1.061 332 Q CA -0.910 54.873 55.803 -0.034 0.000 0.799 332 Q CB 3.565 32.331 28.738 0.046 0.000 1.445 332 Q HN 0.521 nan 8.270 nan 0.000 0.411 333 I N 1.228 121.605 120.570 -0.321 0.000 2.498 333 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 333 I C -1.287 174.452 176.117 -0.629 0.000 1.032 333 I CA -0.686 60.389 61.300 -0.375 0.000 1.073 333 I CB 1.641 39.445 38.000 -0.326 0.000 1.251 333 I HN 0.582 nan 8.210 nan 0.000 0.426 334 H N 5.073 124.028 119.070 -0.191 0.000 2.782 334 H HA 0.365 4.921 4.556 -0.000 0.000 0.347 334 H C -0.818 174.407 175.328 -0.171 0.000 1.038 334 H CA -0.430 55.576 56.048 -0.069 0.000 1.255 334 H CB 1.516 31.380 29.762 0.170 0.000 1.623 334 H HN 0.419 nan 8.280 nan 0.000 0.525 335 F N 0.921 120.996 119.950 0.207 0.000 2.713 335 F HA 0.055 4.582 4.527 -0.000 0.000 0.294 335 F C 1.907 177.775 175.800 0.114 0.000 1.152 335 F CA -0.079 58.012 58.000 0.151 0.000 1.385 335 F CB -0.043 39.026 39.000 0.116 0.000 0.981 335 F HN 0.606 nan 8.300 nan 0.000 0.514 336 T N -2.983 111.695 114.554 0.206 0.000 2.962 336 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 336 T C 1.607 176.302 174.700 -0.008 0.000 1.088 336 T CA 1.076 63.218 62.100 0.069 0.000 1.127 336 T CB -0.158 68.696 68.868 -0.023 0.000 0.883 336 T HN 0.294 nan 8.240 nan 0.000 0.493 337 K N 0.884 121.308 120.400 0.039 0.000 2.374 337 K HA 0.165 4.485 4.320 -0.000 0.000 0.196 337 K C -0.021 176.674 176.600 0.159 0.000 1.023 337 K CA 0.060 56.393 56.287 0.077 0.000 1.103 337 K CB 0.549 33.144 32.500 0.158 0.000 0.848 337 K HN 0.254 nan 8.250 nan 0.000 0.528 338 T N 3.336 118.004 114.554 0.191 0.000 2.767 338 T HA 0.250 4.599 4.350 -0.000 0.000 0.284 338 T C -2.573 172.240 174.700 0.188 0.000 0.973 338 T CA -1.810 60.413 62.100 0.206 0.000 0.996 338 T CB 1.573 70.648 68.868 0.344 0.000 0.927 338 T HN -0.131 nan 8.240 nan 0.000 0.456 339 P HA 0.103 nan 4.420 nan 0.000 0.267 339 P C 0.386 177.856 177.300 0.282 0.000 1.201 339 P CA -0.287 62.946 63.100 0.222 0.000 0.775 339 P CB 0.518 32.353 31.700 0.226 0.000 0.854 340 K N 1.273 121.789 120.400 0.193 0.000 2.498 340 K HA 0.212 4.532 4.320 -0.000 0.000 0.207 340 K C -0.555 175.843 176.600 -0.337 0.000 1.033 340 K CA 0.030 56.279 56.287 -0.063 0.000 1.138 340 K CB -0.029 32.342 32.500 -0.215 0.000 0.860 340 K HN 0.509 nan 8.250 nan 0.000 0.490 341 Y N 0.050 120.512 120.300 0.270 0.000 2.504 341 Y HA 0.378 4.928 4.550 -0.000 0.000 0.344 341 Y C -0.155 175.965 175.900 0.367 0.000 1.023 341 Y CA -1.698 56.534 58.100 0.220 0.000 1.020 341 Y CB 1.450 40.004 38.460 0.156 0.000 1.282 341 Y HN -0.014 nan 8.280 nan 0.000 0.454 342 F N -0.778 119.334 119.950 0.270 0.000 2.654 342 F HA 0.937 5.464 4.527 -0.000 0.000 0.334 342 F C -1.538 174.357 175.800 0.158 0.000 1.078 342 F CA -1.672 56.456 58.000 0.214 0.000 0.986 342 F CB 1.351 40.241 39.000 -0.184 0.000 1.362 342 F HN 0.090 nan 8.300 nan 0.000 0.498 343 K N 1.506 122.045 120.400 0.231 0.000 2.394 343 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 343 K C -2.892 173.635 176.600 -0.121 0.000 0.967 343 K CA -2.144 54.051 56.287 -0.152 0.000 0.855 343 K CB 1.375 33.771 32.500 -0.174 0.000 1.101 343 K HN 0.234 nan 8.250 nan 0.000 0.433 344 P HA -0.010 nan 4.420 nan 0.000 0.257 344 P C 0.689 177.919 177.300 -0.117 0.000 1.189 344 P CA 1.001 64.075 63.100 -0.043 0.000 0.780 344 P CB 0.549 32.225 31.700 -0.040 0.000 0.772 345 G N 2.943 111.728 108.800 -0.025 0.000 2.345 345 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 345 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 345 G C 0.188 175.049 174.900 -0.065 0.000 1.058 345 G CA -0.295 44.779 45.100 -0.044 0.000 0.632 345 G HN 0.448 nan 8.290 nan 0.000 0.508 346 M N 2.110 121.663 119.600 -0.078 0.000 2.250 346 M HA 0.403 4.882 4.480 -0.000 0.000 0.344 346 M C -2.284 173.953 176.300 -0.105 0.000 1.150 346 M CA -1.587 53.659 55.300 -0.089 0.000 1.147 346 M CB 0.505 33.057 32.600 -0.080 0.000 1.498 346 M HN -0.050 nan 8.290 nan 0.000 0.461 347 P HA -0.015 nan 4.420 nan 0.000 0.266 347 P C -1.300 175.899 177.300 -0.169 0.000 1.195 347 P CA 0.228 63.219 63.100 -0.181 0.000 0.768 347 P CB 0.200 31.758 31.700 -0.237 0.000 0.838 348 F N 3.140 122.999 119.950 -0.152 0.000 2.403 348 F HA 0.308 4.835 4.527 -0.000 0.000 0.355 348 F C -0.430 175.375 175.800 0.008 0.000 1.119 348 F CA -0.824 57.156 58.000 -0.033 0.000 1.007 348 F CB 0.677 39.668 39.000 -0.014 0.000 1.194 348 F HN 0.144 nan 8.300 nan 0.000 0.443 349 D N 5.657 125.793 120.400 -0.441 0.000 2.302 349 D HA 0.426 5.066 4.640 -0.000 0.000 0.248 349 D C -0.805 175.180 176.300 -0.526 0.000 1.094 349 D CA 0.164 53.967 54.000 -0.328 0.000 0.897 349 D CB 1.679 42.400 40.800 -0.131 0.000 1.200 349 D HN 0.339 nan 8.370 nan 0.000 0.429 350 L N 1.587 122.691 121.223 -0.198 0.000 2.346 350 L HA 0.389 4.729 4.340 -0.000 0.000 0.276 350 L C 0.166 177.062 176.870 0.043 0.000 1.006 350 L CA -0.396 54.421 54.840 -0.038 0.000 0.817 350 L CB 1.572 43.724 42.059 0.154 0.000 1.272 350 L HN 0.191 nan 8.230 nan 0.000 0.421 351 M N 3.412 123.080 119.600 0.112 0.000 3.307 351 M HA 0.265 4.745 4.480 -0.000 0.000 0.222 351 M C -0.637 175.759 176.300 0.159 0.000 1.243 351 M CA -0.463 54.910 55.300 0.120 0.000 1.270 351 M CB 0.430 33.109 32.600 0.131 0.000 1.187 351 M HN 0.187 nan 8.290 nan 0.000 0.598 352 V N 1.975 121.958 119.914 0.115 0.000 2.617 352 V HA -0.080 4.039 4.120 -0.000 0.000 0.304 352 V C -0.079 176.078 176.094 0.105 0.000 1.040 352 V CA 0.516 62.824 62.300 0.013 0.000 1.149 352 V CB 0.011 31.816 31.823 -0.029 0.000 0.914 352 V HN 0.499 nan 8.190 nan 0.000 0.487 353 F N 5.939 125.827 119.950 -0.104 0.000 2.453 353 F HA 0.518 5.045 4.527 -0.000 0.000 0.358 353 F C -0.093 175.718 175.800 0.018 0.000 1.129 353 F CA -0.736 57.259 58.000 -0.007 0.000 1.200 353 F CB 0.870 39.898 39.000 0.046 0.000 1.431 353 F HN 0.253 nan 8.300 nan 0.000 0.503 354 V N 4.278 124.032 119.914 -0.266 0.000 2.530 354 V HA 0.430 4.550 4.120 -0.000 0.000 0.282 354 V C 0.410 176.301 176.094 -0.339 0.000 1.048 354 V CA 0.264 62.423 62.300 -0.235 0.000 0.997 354 V CB 0.993 32.719 31.823 -0.161 0.000 0.987 354 V HN 0.786 nan 8.190 nan 0.000 0.477 355 T N 1.732 116.172 114.554 -0.189 0.000 2.804 355 T HA 0.557 4.907 4.350 -0.000 0.000 0.290 355 T C -0.531 174.161 174.700 -0.013 0.000 1.099 355 T CA -1.086 60.919 62.100 -0.158 0.000 1.011 355 T CB 1.757 70.501 68.868 -0.205 0.000 1.291 355 T HN 0.407 nan 8.240 nan 0.000 0.523 356 N N 1.031 119.714 118.700 -0.028 0.000 2.476 356 N HA 0.440 5.180 4.740 -0.000 0.000 0.275 356 N C -1.970 173.515 175.510 -0.042 0.000 1.190 356 N CA -2.274 50.732 53.050 -0.073 0.000 0.977 356 N CB 0.547 39.016 38.487 -0.031 0.000 1.200 356 N HN 0.336 nan 8.380 nan 0.000 0.515 357 P HA -0.164 nan 4.420 nan 0.000 0.217 357 P C 0.531 177.864 177.300 0.055 0.000 1.148 357 P CA 1.304 64.388 63.100 -0.025 0.000 0.828 357 P CB 0.208 31.883 31.700 -0.042 0.000 0.783 358 D N -2.083 118.361 120.400 0.074 0.000 2.213 358 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 358 D C 1.587 177.928 176.300 0.069 0.000 0.961 358 D CA 1.593 55.643 54.000 0.083 0.000 0.853 358 D CB -0.808 40.048 40.800 0.093 0.000 0.967 358 D HN 0.271 nan 8.370 nan 0.000 0.496 359 G N -0.152 108.683 108.800 0.057 0.000 2.370 359 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.174 359 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.174 359 G C 0.147 175.079 174.900 0.053 0.000 1.002 359 G CA 0.188 45.322 45.100 0.058 0.000 0.730 359 G HN 0.691 nan 8.290 nan 0.000 0.497 360 S N 1.105 116.833 115.700 0.046 0.000 2.565 360 S HA 0.664 5.134 4.470 -0.000 0.000 0.274 360 S C -2.240 172.366 174.600 0.011 0.000 1.309 360 S CA -1.239 56.989 58.200 0.045 0.000 1.043 360 S CB 1.837 65.069 63.200 0.053 0.000 0.939 360 S HN 0.097 nan 8.310 nan 0.000 0.504 361 P HA 0.239 nan 4.420 nan 0.000 0.267 361 P C -0.826 176.487 177.300 0.021 0.000 1.200 361 P CA -0.006 63.069 63.100 -0.042 0.000 0.772 361 P CB 0.270 31.990 31.700 0.033 0.000 0.855 362 A N 2.995 125.823 122.820 0.013 0.000 2.305 362 A HA 0.433 4.753 4.320 -0.000 0.000 0.322 362 A C -1.293 176.369 177.584 0.130 0.000 1.187 362 A CA -0.412 51.697 52.037 0.119 0.000 0.825 362 A CB 0.105 19.224 19.000 0.199 0.000 1.164 362 A HN 0.529 nan 8.150 nan 0.000 0.498 363 Y N 2.497 122.824 120.300 0.046 0.000 2.328 363 Y HA 0.492 5.042 4.550 -0.000 0.000 0.337 363 Y C 0.589 176.497 175.900 0.013 0.000 1.008 363 Y CA -0.095 58.018 58.100 0.022 0.000 1.129 363 Y CB 0.584 39.059 38.460 0.025 0.000 1.185 363 Y HN 0.870 nan 8.280 nan 0.000 0.476 364 R N 3.295 123.480 120.500 -0.525 0.000 2.532 364 R HA -0.082 4.258 4.340 -0.000 0.000 0.317 364 R C -1.885 174.294 176.300 -0.203 0.000 1.026 364 R CA 0.487 56.351 56.100 -0.393 0.000 0.846 364 R CB -1.614 28.459 30.300 -0.379 0.000 2.375 364 R HN 0.399 nan 8.270 nan 0.000 0.497 365 V N 3.656 123.439 119.914 -0.218 0.000 2.445 365 V HA 0.246 4.366 4.120 -0.000 0.000 0.283 365 V C -2.008 173.949 176.094 -0.228 0.000 1.014 365 V CA -1.852 60.287 62.300 -0.268 0.000 0.852 365 V CB 2.134 33.728 31.823 -0.381 0.000 1.021 365 V HN 0.313 nan 8.190 nan 0.000 0.435 366 P HA 0.119 nan 4.420 nan 0.000 0.261 366 P C -0.507 176.708 177.300 -0.141 0.000 1.183 366 P CA 0.470 63.484 63.100 -0.143 0.000 0.761 366 P CB 0.571 32.200 31.700 -0.118 0.000 0.785 367 V N 0.764 120.615 119.914 -0.106 0.000 2.876 367 V HA 0.989 5.109 4.120 -0.000 0.000 0.312 367 V C -0.653 175.414 176.094 -0.045 0.000 1.085 367 V CA -1.225 61.026 62.300 -0.082 0.000 0.945 367 V CB 1.909 33.686 31.823 -0.078 0.000 1.017 367 V HN 0.634 nan 8.190 nan 0.000 0.428 368 A N 2.475 125.281 122.820 -0.024 0.000 2.602 368 A HA 0.908 5.228 4.320 -0.000 0.000 0.290 368 A C -1.152 176.442 177.584 0.017 0.000 1.114 368 A CA -0.598 51.436 52.037 -0.006 0.000 0.683 368 A CB 1.802 20.791 19.000 -0.018 0.000 1.281 368 A HN 1.482 nan 8.150 nan 0.000 0.416 369 V N 1.751 121.677 119.914 0.020 0.000 2.630 369 V HA 0.243 4.363 4.120 -0.000 0.000 0.305 369 V C 1.113 177.213 176.094 0.010 0.000 1.046 369 V CA -0.550 61.767 62.300 0.029 0.000 0.934 369 V CB 1.602 33.444 31.823 0.031 0.000 1.003 369 V HN 0.961 nan 8.190 nan 0.000 0.451 370 Q N 2.489 122.295 119.800 0.009 0.000 2.197 370 Q HA -0.168 4.172 4.340 -0.000 0.000 0.207 370 Q C 2.007 178.003 176.000 -0.006 0.000 0.984 370 Q CA 1.861 57.663 55.803 -0.001 0.000 0.869 370 Q CB -0.356 28.380 28.738 -0.003 0.000 0.906 370 Q HN 1.028 nan 8.270 nan 0.000 0.426 371 G N 0.822 109.618 108.800 -0.008 0.000 2.637 371 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 371 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 371 G C 0.428 175.323 174.900 -0.008 0.000 1.289 371 G CA 0.466 45.560 45.100 -0.010 0.000 0.816 371 G HN 0.322 nan 8.290 nan 0.000 0.580 372 E N 0.932 121.127 120.200 -0.008 0.000 2.191 372 E HA 0.383 4.733 4.350 -0.000 0.000 0.274 372 E C -0.659 175.935 176.600 -0.011 0.000 0.948 372 E CA -0.909 55.485 56.400 -0.010 0.000 0.802 372 E CB 1.306 30.998 29.700 -0.013 0.000 1.137 372 E HN 0.391 nan 8.360 nan 0.000 0.397 373 D N 1.723 122.115 120.400 -0.012 0.000 2.466 373 D HA 0.315 4.955 4.640 -0.000 0.000 0.262 373 D C 0.119 176.409 176.300 -0.017 0.000 1.177 373 D CA 0.143 54.134 54.000 -0.014 0.000 1.035 373 D CB 0.323 41.114 40.800 -0.015 0.000 1.105 373 D HN 0.544 nan 8.370 nan 0.000 0.551 374 T N -1.934 112.609 114.554 -0.019 0.000 11.675 374 T HA -0.188 4.162 4.350 -0.000 0.000 0.407 374 T C 0.730 175.417 174.700 -0.023 0.000 1.535 374 T CA 1.475 63.562 62.100 -0.021 0.000 2.503 374 T CB -1.499 67.358 68.868 -0.019 0.000 2.785 374 T HN 0.461 nan 8.240 nan 0.000 0.895 375 V N 3.843 123.745 119.914 -0.020 0.000 2.324 375 V HA 0.229 4.349 4.120 -0.000 0.000 0.244 375 V C 0.534 176.616 176.094 -0.021 0.000 1.144 375 V CA 0.821 63.109 62.300 -0.020 0.000 1.158 375 V CB -0.260 31.554 31.823 -0.016 0.000 1.254 375 V HN 0.436 nan 8.190 nan 0.000 0.492 376 Q N 2.464 122.247 119.800 -0.028 0.000 2.496 376 Q HA 0.825 5.165 4.340 -0.000 0.000 0.286 376 Q C -0.552 175.423 176.000 -0.042 0.000 1.103 376 Q CA -0.796 54.985 55.803 -0.036 0.000 0.813 376 Q CB 2.656 31.368 28.738 -0.043 0.000 1.444 376 Q HN 0.690 nan 8.270 nan 0.000 0.443 377 S N 0.206 115.875 115.700 -0.052 0.000 2.653 377 S HA 0.373 4.842 4.470 -0.000 0.000 0.268 377 S C -1.187 173.364 174.600 -0.083 0.000 1.153 377 S CA -0.797 57.367 58.200 -0.060 0.000 1.036 377 S CB 0.397 63.569 63.200 -0.047 0.000 1.103 377 S HN 0.368 nan 8.310 nan 0.000 0.466 378 L N 3.143 124.307 121.223 -0.099 0.000 2.499 378 L HA 0.273 4.613 4.340 -0.000 0.000 0.273 378 L C 1.091 177.868 176.870 -0.155 0.000 1.195 378 L CA 0.847 55.604 54.840 -0.138 0.000 0.882 378 L CB -0.127 41.840 42.059 -0.153 0.000 1.133 378 L HN 0.769 nan 8.230 nan 0.000 0.483 379 T N 3.659 118.108 114.554 -0.174 0.000 2.928 379 T HA 0.074 4.424 4.350 -0.000 0.000 0.305 379 T C 0.591 175.166 174.700 -0.209 0.000 1.035 379 T CA -0.256 61.750 62.100 -0.157 0.000 1.145 379 T CB 0.299 69.078 68.868 -0.148 0.000 0.963 379 T HN 0.539 nan 8.240 nan 0.000 0.545 380 Q N 1.451 121.177 119.800 -0.123 0.000 2.319 380 Q HA 0.313 4.653 4.340 -0.000 0.000 0.173 380 Q C 2.084 178.083 176.000 -0.002 0.000 1.112 380 Q CA -0.237 55.508 55.803 -0.096 0.000 1.144 380 Q CB -0.037 28.689 28.738 -0.020 0.000 1.765 380 Q HN 0.813 nan 8.270 nan 0.000 0.594 381 G N 0.755 109.648 108.800 0.155 0.000 2.396 381 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.214 381 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.214 381 G C 0.854 175.863 174.900 0.182 0.000 1.166 381 G CA 0.924 46.210 45.100 0.310 0.000 0.793 381 G HN 0.763 nan 8.290 nan 0.000 0.533 382 D N 0.248 120.724 120.400 0.125 0.000 2.350 382 D HA 0.123 4.763 4.640 -0.000 0.000 0.216 382 D C 1.617 178.006 176.300 0.149 0.000 0.968 382 D CA 0.922 55.002 54.000 0.133 0.000 0.894 382 D CB -0.679 40.195 40.800 0.123 0.000 0.909 382 D HN 0.634 nan 8.370 nan 0.000 0.520 383 G N -0.703 108.149 108.800 0.085 0.000 2.207 383 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 383 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 383 G C -0.305 174.603 174.900 0.014 0.000 1.053 383 G CA 0.022 45.107 45.100 -0.025 0.000 0.764 383 G HN 0.396 nan 8.290 nan 0.000 0.495 384 V N -0.079 119.888 119.914 0.089 0.000 2.531 384 V HA 0.871 4.991 4.120 -0.000 0.000 0.301 384 V C 0.540 176.655 176.094 0.036 0.000 1.034 384 V CA -0.282 62.097 62.300 0.132 0.000 0.865 384 V CB 1.594 33.524 31.823 0.179 0.000 0.995 384 V HN 1.218 nan 8.190 nan 0.000 0.424 385 A N 3.876 126.708 122.820 0.021 0.000 2.269 385 A HA 0.951 5.271 4.320 -0.000 0.000 0.327 385 A C -0.444 177.140 177.584 -0.000 0.000 1.112 385 A CA -0.684 51.344 52.037 -0.014 0.000 0.865 385 A CB 1.407 20.385 19.000 -0.036 0.000 1.227 385 A HN 0.688 nan 8.150 nan 0.000 0.498 386 K N 0.967 121.357 120.400 -0.017 0.000 2.572 386 K HA 0.616 4.936 4.320 -0.000 0.000 0.244 386 K C -1.616 174.974 176.600 -0.015 0.000 0.965 386 K CA 0.051 56.328 56.287 -0.017 0.000 0.943 386 K CB 0.076 32.557 32.500 -0.032 0.000 1.154 386 K HN 0.600 nan 8.250 nan 0.000 0.447 387 L N 1.927 123.150 121.223 -0.001 0.000 2.313 387 L HA 0.669 5.009 4.340 -0.000 0.000 0.268 387 L C -0.499 176.365 176.870 -0.010 0.000 1.010 387 L CA -1.074 53.770 54.840 0.006 0.000 0.814 387 L CB 2.207 44.292 42.059 0.044 0.000 1.304 387 L HN 0.840 nan 8.230 nan 0.000 0.441 388 S N 1.081 116.778 115.700 -0.005 0.000 2.446 388 S HA 0.442 4.911 4.470 -0.000 0.000 0.230 388 S C -0.787 173.813 174.600 -0.000 0.000 1.051 388 S CA -0.860 57.330 58.200 -0.017 0.000 1.113 388 S CB 0.246 63.422 63.200 -0.041 0.000 1.184 388 S HN 0.551 nan 8.310 nan 0.000 0.435 389 I N 0.115 120.710 120.570 0.041 0.000 2.918 389 I HA 0.659 4.829 4.170 -0.000 0.000 0.316 389 I C -0.022 176.093 176.117 -0.004 0.000 1.001 389 I CA -0.864 60.449 61.300 0.020 0.000 1.142 389 I CB 0.856 38.876 38.000 0.034 0.000 1.356 389 I HN 0.413 nan 8.210 nan 0.000 0.524 390 N N 1.231 119.894 118.700 -0.062 0.000 2.489 390 N HA 0.493 5.233 4.740 -0.000 0.000 0.284 390 N C -1.023 174.380 175.510 -0.179 0.000 1.158 390 N CA -0.168 52.812 53.050 -0.117 0.000 0.965 390 N CB 1.816 40.212 38.487 -0.151 0.000 1.195 390 N HN 0.730 nan 8.380 nan 0.000 0.506 391 T N 0.880 115.316 114.554 -0.197 0.000 2.887 391 T HA 0.357 4.707 4.350 -0.000 0.000 0.288 391 T C -0.590 173.962 174.700 -0.247 0.000 1.021 391 T CA -0.595 61.379 62.100 -0.211 0.000 1.000 391 T CB 1.010 69.820 68.868 -0.096 0.000 1.034 391 T HN 0.322 nan 8.240 nan 0.000 0.467 392 H N 1.833 120.869 119.070 -0.056 0.000 2.481 392 H HA 0.206 4.762 4.556 -0.000 0.000 0.339 392 H C -1.781 173.566 175.328 0.032 0.000 1.131 392 H CA -2.077 53.962 56.048 -0.014 0.000 1.301 392 H CB 1.417 31.165 29.762 -0.023 0.000 1.476 392 H HN 0.318 nan 8.280 nan 0.000 0.529 393 P HA -0.122 nan 4.420 nan 0.000 0.231 393 P C 0.400 177.786 177.300 0.142 0.000 1.158 393 P CA 0.623 63.797 63.100 0.122 0.000 0.763 393 P CB 0.092 31.857 31.700 0.109 0.000 0.805 394 S N -0.355 115.437 115.700 0.154 0.000 2.576 394 S HA 0.042 4.512 4.470 -0.000 0.000 0.272 394 S C 0.915 175.612 174.600 0.161 0.000 1.352 394 S CA -0.312 57.962 58.200 0.122 0.000 1.021 394 S CB 0.452 63.695 63.200 0.071 0.000 0.887 394 S HN 0.021 nan 8.310 nan 0.000 0.542 395 Q N -0.165 119.711 119.800 0.128 0.000 2.222 395 Q HA 0.248 4.588 4.340 -0.000 0.000 0.206 395 Q C -0.330 175.758 176.000 0.146 0.000 0.877 395 Q CA 0.022 55.907 55.803 0.135 0.000 0.958 395 Q CB -0.160 28.632 28.738 0.091 0.000 1.075 395 Q HN 0.623 nan 8.270 nan 0.000 0.483 396 K N 2.391 122.874 120.400 0.138 0.000 2.322 396 K HA 0.200 4.520 4.320 -0.000 0.000 0.283 396 K C -2.463 174.228 176.600 0.151 0.000 1.042 396 K CA -1.923 54.422 56.287 0.096 0.000 0.958 396 K CB 0.456 32.972 32.500 0.027 0.000 0.984 396 K HN -0.142 nan 8.250 nan 0.000 0.473 397 P HA -0.100 nan 4.420 nan 0.000 0.263 397 P C -0.776 176.500 177.300 -0.041 0.000 1.175 397 P CA 0.165 63.339 63.100 0.123 0.000 0.761 397 P CB 0.388 32.115 31.700 0.045 0.000 0.794 398 L N 2.590 123.698 121.223 -0.190 0.000 2.292 398 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 398 L C 0.232 176.905 176.870 -0.329 0.000 1.065 398 L CA -0.139 54.404 54.840 -0.496 0.000 0.806 398 L CB 0.897 42.250 42.059 -1.176 0.000 1.175 398 L HN 0.324 nan 8.230 nan 0.000 0.431 399 S N 4.851 120.392 115.700 -0.266 0.000 2.552 399 S HA 0.691 5.161 4.470 -0.000 0.000 0.314 399 S C -0.760 173.718 174.600 -0.203 0.000 1.099 399 S CA -0.584 57.493 58.200 -0.206 0.000 1.070 399 S CB 0.793 63.912 63.200 -0.135 0.000 0.998 399 S HN 0.402 nan 8.310 nan 0.000 0.474 400 I N 3.608 124.042 120.570 -0.227 0.000 2.474 400 I HA 0.422 4.592 4.170 -0.000 0.000 0.294 400 I C -0.110 175.920 176.117 -0.145 0.000 1.005 400 I CA -0.226 60.961 61.300 -0.188 0.000 1.113 400 I CB 2.362 40.231 38.000 -0.217 0.000 1.289 400 I HN 0.468 nan 8.210 nan 0.000 0.436 401 T N 4.925 119.454 114.554 -0.042 0.000 2.991 401 T HA 0.452 4.802 4.350 -0.000 0.000 0.347 401 T C -0.432 174.325 174.700 0.096 0.000 1.122 401 T CA -0.423 61.697 62.100 0.032 0.000 1.062 401 T CB 0.760 69.636 68.868 0.012 0.000 1.043 401 T HN 0.190 nan 8.240 nan 0.000 0.491 402 V N 4.902 124.951 119.914 0.226 0.000 2.439 402 V HA 0.530 4.650 4.120 -0.000 0.000 0.282 402 V C 0.502 176.657 176.094 0.102 0.000 1.039 402 V CA -0.620 61.798 62.300 0.198 0.000 0.913 402 V CB 1.272 33.292 31.823 0.329 0.000 0.983 402 V HN 0.689 nan 8.190 nan 0.000 0.460 403 R N 1.793 122.316 120.500 0.038 0.000 3.006 403 R HA 0.688 5.027 4.340 -0.000 0.000 0.235 403 R C -0.459 175.815 176.300 -0.043 0.000 1.362 403 R CA -0.759 55.340 56.100 -0.002 0.000 1.067 403 R CB 1.607 31.906 30.300 -0.002 0.000 1.396 403 R HN 0.620 nan 8.270 nan 0.000 0.504 404 T N 0.778 115.292 114.554 -0.067 0.000 2.809 404 T HA 0.215 4.565 4.350 -0.000 0.000 0.296 404 T C -0.222 174.417 174.700 -0.102 0.000 1.015 404 T CA -0.732 61.296 62.100 -0.120 0.000 0.954 404 T CB 0.528 69.280 68.868 -0.194 0.000 0.950 404 T HN 0.236 nan 8.240 nan 0.000 0.450 405 K N 3.734 124.076 120.400 -0.097 0.000 2.745 405 K HA 0.159 4.479 4.320 -0.000 0.000 0.223 405 K C 0.446 176.993 176.600 -0.088 0.000 1.057 405 K CA -0.319 55.923 56.287 -0.075 0.000 1.217 405 K CB 0.018 32.482 32.500 -0.060 0.000 0.993 405 K HN 0.410 nan 8.250 nan 0.000 0.478 406 K N 2.169 122.497 120.400 -0.120 0.000 2.419 406 K HA 0.009 4.329 4.320 -0.000 0.000 0.282 406 K C 0.603 177.168 176.600 -0.057 0.000 1.056 406 K CA 0.417 56.634 56.287 -0.117 0.000 1.035 406 K CB 0.335 32.730 32.500 -0.177 0.000 0.921 406 K HN 0.328 nan 8.250 nan 0.000 0.472 407 Q N 1.558 121.331 119.800 -0.045 0.000 2.631 407 Q HA -0.015 4.325 4.340 -0.000 0.000 0.210 407 Q C 0.078 176.070 176.000 -0.013 0.000 1.094 407 Q CA 0.060 55.847 55.803 -0.027 0.000 1.055 407 Q CB 0.347 29.070 28.738 -0.025 0.000 1.261 407 Q HN 0.489 nan 8.270 nan 0.000 0.615 408 E N -1.139 119.053 120.200 -0.014 0.000 2.883 408 E HA -0.240 4.110 4.350 -0.000 0.000 0.271 408 E C -1.114 175.477 176.600 -0.016 0.000 1.049 408 E CA 0.114 56.507 56.400 -0.012 0.000 0.817 408 E CB -1.062 28.638 29.700 0.000 0.000 1.407 408 E HN 0.205 nan 8.360 nan 0.000 0.434 409 L N -0.002 121.210 121.223 -0.019 0.000 2.588 409 L HA 0.266 4.606 4.340 -0.000 0.000 0.263 409 L C -0.065 176.790 176.870 -0.025 0.000 0.935 409 L CA -0.096 54.729 54.840 -0.025 0.000 0.891 409 L CB 1.865 43.927 42.059 0.004 0.000 1.318 409 L HN 0.112 nan 8.230 nan 0.000 0.409 410 S N 2.512 118.192 115.700 -0.033 0.000 2.589 410 S HA 0.230 4.700 4.470 -0.000 0.000 0.265 410 S C 0.777 175.370 174.600 -0.012 0.000 1.342 410 S CA -0.294 57.890 58.200 -0.025 0.000 1.005 410 S CB 0.770 63.951 63.200 -0.032 0.000 0.909 410 S HN 0.682 nan 8.310 nan 0.000 0.555 411 E N 1.197 121.390 120.200 -0.012 0.000 2.204 411 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 411 E C 2.089 178.693 176.600 0.007 0.000 0.990 411 E CA 1.307 57.703 56.400 -0.005 0.000 0.821 411 E CB -0.720 28.974 29.700 -0.009 0.000 0.750 411 E HN 0.843 nan 8.360 nan 0.000 0.477 412 A N 0.964 123.788 122.820 0.006 0.000 2.209 412 A HA -0.102 4.218 4.320 -0.000 0.000 0.212 412 A C 1.377 178.997 177.584 0.060 0.000 1.158 412 A CA 0.642 52.690 52.037 0.018 0.000 0.742 412 A CB -0.075 18.920 19.000 -0.009 0.000 0.790 412 A HN 0.115 nan 8.150 nan 0.000 0.472 413 E N -0.198 120.041 120.200 0.064 0.000 2.624 413 E HA 0.091 4.441 4.350 -0.000 0.000 0.210 413 E C -0.327 176.323 176.600 0.084 0.000 0.997 413 E CA -0.264 56.206 56.400 0.117 0.000 0.999 413 E CB 0.341 30.095 29.700 0.090 0.000 1.040 413 E HN 0.509 nan 8.360 nan 0.000 0.469 414 Q N 0.349 120.182 119.800 0.055 0.000 2.180 414 Q HA 0.623 4.963 4.340 -0.000 0.000 0.241 414 Q C -0.266 175.757 176.000 0.038 0.000 0.970 414 Q CA -0.584 55.245 55.803 0.043 0.000 0.919 414 Q CB 1.567 30.311 28.738 0.010 0.000 1.222 414 Q HN 0.119 nan 8.270 nan 0.000 0.482 415 A N 0.315 123.150 122.820 0.025 0.000 2.325 415 A HA 0.711 5.031 4.320 -0.000 0.000 0.333 415 A C -0.451 177.128 177.584 -0.009 0.000 1.155 415 A CA -0.360 51.681 52.037 0.007 0.000 0.814 415 A CB 1.581 20.584 19.000 0.005 0.000 1.206 415 A HN 0.546 nan 8.150 nan 0.000 0.482 416 T N 0.061 114.612 114.554 -0.006 0.000 2.916 416 T HA 0.679 5.029 4.350 -0.000 0.000 0.305 416 T C -1.196 173.520 174.700 0.026 0.000 1.119 416 T CA -0.560 61.548 62.100 0.014 0.000 1.008 416 T CB 1.193 70.076 68.868 0.025 0.000 1.129 416 T HN 0.967 nan 8.240 nan 0.000 0.480 417 R N 1.822 122.379 120.500 0.095 0.000 2.584 417 R HA 0.652 4.992 4.340 -0.000 0.000 0.276 417 R C -1.570 174.924 176.300 0.324 0.000 1.046 417 R CA -0.326 55.882 56.100 0.180 0.000 0.906 417 R CB 1.811 32.191 30.300 0.133 0.000 1.215 417 R HN 0.675 nan 8.270 nan 0.000 0.449 418 T N 5.396 120.058 114.554 0.180 0.000 2.807 418 T HA 0.566 4.915 4.350 -0.000 0.000 0.279 418 T C -0.032 174.641 174.700 -0.045 0.000 0.993 418 T CA -0.695 61.428 62.100 0.039 0.000 0.970 418 T CB 0.972 69.841 68.868 0.001 0.000 0.950 418 T HN 0.664 nan 8.240 nan 0.000 0.441 419 M N 1.764 121.206 119.600 -0.264 0.000 2.758 419 M HA 0.736 5.216 4.480 -0.000 0.000 0.281 419 M C -1.065 175.106 176.300 -0.214 0.000 1.082 419 M CA -1.032 54.115 55.300 -0.255 0.000 0.866 419 M CB 1.792 34.110 32.600 -0.469 0.000 1.662 419 M HN 0.464 nan 8.290 nan 0.000 0.515 420 Q N 0.340 120.031 119.800 -0.181 0.000 2.327 420 Q HA 0.692 5.032 4.340 -0.000 0.000 0.265 420 Q C -2.401 173.509 176.000 -0.150 0.000 0.993 420 Q CA -0.564 55.143 55.803 -0.159 0.000 0.885 420 Q CB 2.545 31.221 28.738 -0.105 0.000 1.379 420 Q HN 0.978 nan 8.270 nan 0.000 0.408 421 A N 4.131 126.863 122.820 -0.148 0.000 2.355 421 A HA 0.816 5.136 4.320 -0.000 0.000 0.324 421 A C -1.247 176.434 177.584 0.162 0.000 1.117 421 A CA -0.641 51.364 52.037 -0.052 0.000 0.785 421 A CB 1.062 20.024 19.000 -0.063 0.000 1.254 421 A HN 0.707 nan 8.150 nan 0.000 0.453 422 L N 1.940 123.159 121.223 -0.006 0.000 2.325 422 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 422 L C -2.299 174.429 176.870 -0.237 0.000 1.023 422 L CA -2.223 52.628 54.840 0.019 0.000 0.811 422 L CB 1.940 43.988 42.059 -0.018 0.000 1.249 422 L HN 0.427 nan 8.230 nan 0.000 0.431 423 P HA -0.094 nan 4.420 nan 0.000 0.268 423 P C -1.284 175.902 177.300 -0.190 0.000 1.208 423 P CA 0.071 62.727 63.100 -0.740 0.000 0.777 423 P CB 0.228 31.766 31.700 -0.270 0.000 0.875 424 Y N 2.291 122.468 120.300 -0.204 0.000 2.477 424 Y HA 0.262 4.812 4.550 -0.000 0.000 0.349 424 Y C 0.653 176.632 175.900 0.131 0.000 0.977 424 Y CA -0.276 57.847 58.100 0.038 0.000 1.214 424 Y CB 0.272 38.827 38.460 0.159 0.000 1.124 424 Y HN 0.232 nan 8.280 nan 0.000 0.521 425 S N 4.601 120.082 115.700 -0.365 0.000 2.537 425 S HA 0.171 4.641 4.470 -0.000 0.000 0.286 425 S C -0.127 174.224 174.600 -0.415 0.000 1.299 425 S CA -0.110 57.919 58.200 -0.285 0.000 1.067 425 S CB 0.015 63.078 63.200 -0.228 0.000 0.864 425 S HN 0.781 nan 8.310 nan 0.000 0.494 426 T N 4.770 119.211 114.554 -0.189 0.000 2.824 426 T HA 0.323 4.672 4.350 -0.000 0.000 0.280 426 T C -0.338 174.290 174.700 -0.119 0.000 0.995 426 T CA -0.613 61.378 62.100 -0.181 0.000 1.009 426 T CB 1.347 70.079 68.868 -0.226 0.000 0.955 426 T HN 0.488 nan 8.240 nan 0.000 0.452 427 V N 3.509 123.354 119.914 -0.115 0.000 2.400 427 V HA 0.359 4.479 4.120 -0.000 0.000 0.263 427 V C 1.484 177.524 176.094 -0.090 0.000 1.026 427 V CA 1.034 63.275 62.300 -0.098 0.000 1.077 427 V CB -0.477 31.241 31.823 -0.175 0.000 1.054 427 V HN 1.287 nan 8.190 nan 0.000 0.477 428 G N 4.892 113.656 108.800 -0.060 0.000 2.141 428 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 428 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 428 G C 0.331 175.209 174.900 -0.038 0.000 0.982 428 G CA -0.027 45.044 45.100 -0.047 0.000 0.662 428 G HN 0.849 nan 8.290 nan 0.000 0.527 429 N N -1.136 117.539 118.700 -0.041 0.000 2.721 429 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 429 N C 1.431 176.931 175.510 -0.018 0.000 1.072 429 N CA 1.801 54.839 53.050 -0.020 0.000 0.710 429 N CB -1.577 36.913 38.487 0.006 0.000 0.993 429 N HN 1.445 nan 8.380 nan 0.000 0.547 430 S N -1.219 114.451 115.700 -0.050 0.000 2.607 430 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 430 S C 0.745 175.327 174.600 -0.029 0.000 0.969 430 S CA 0.217 58.396 58.200 -0.034 0.000 0.927 430 S CB 0.135 63.302 63.200 -0.054 0.000 0.772 430 S HN 0.339 nan 8.310 nan 0.000 0.533 431 N N 1.658 120.310 118.700 -0.080 0.000 2.735 431 N HA -0.124 4.616 4.740 -0.000 0.000 0.248 431 N C -1.626 173.779 175.510 -0.175 0.000 1.083 431 N CA 0.815 53.821 53.050 -0.074 0.000 0.703 431 N CB -2.178 36.414 38.487 0.174 0.000 1.005 431 N HN 0.518 nan 8.380 nan 0.000 0.550 432 N N 0.852 119.376 118.700 -0.293 0.000 2.462 432 N HA 0.312 5.052 4.740 -0.000 0.000 0.242 432 N C -0.133 175.277 175.510 -0.168 0.000 1.010 432 N CA -0.000 53.000 53.050 -0.083 0.000 0.939 432 N CB 0.314 38.840 38.487 0.064 0.000 1.127 432 N HN 0.235 nan 8.380 nan 0.000 0.509 433 Y N 0.750 121.193 120.300 0.239 0.000 2.730 433 Y HA 0.706 5.256 4.550 -0.000 0.000 0.325 433 Y C -0.214 175.821 175.900 0.223 0.000 1.132 433 Y CA -1.284 56.915 58.100 0.164 0.000 1.206 433 Y CB 1.173 39.694 38.460 0.102 0.000 1.390 433 Y HN 0.203 nan 8.280 nan 0.000 0.555 434 L N 0.798 122.196 121.223 0.291 0.000 2.676 434 L HA 0.372 4.712 4.340 -0.000 0.000 0.262 434 L C -1.949 175.003 176.870 0.136 0.000 0.932 434 L CA -0.262 54.737 54.840 0.265 0.000 0.932 434 L CB 1.283 43.574 42.059 0.386 0.000 1.355 434 L HN 0.786 nan 8.230 nan 0.000 0.421 435 H N 4.359 123.446 119.070 0.029 0.000 2.529 435 H HA 0.795 5.351 4.556 -0.000 0.000 0.348 435 H C -1.302 173.961 175.328 -0.109 0.000 1.152 435 H CA -0.548 55.479 56.048 -0.035 0.000 1.202 435 H CB 1.672 31.422 29.762 -0.019 0.000 1.562 435 H HN 0.639 nan 8.280 nan 0.000 0.515 436 L N 4.663 125.495 121.223 -0.652 0.000 2.408 436 L HA 0.283 4.623 4.340 -0.000 0.000 0.257 436 L C -0.293 176.290 176.870 -0.478 0.000 1.053 436 L CA -0.706 53.824 54.840 -0.516 0.000 0.922 436 L CB 0.937 42.718 42.059 -0.463 0.000 1.261 436 L HN 0.613 nan 8.230 nan 0.000 0.458 437 S N 1.526 117.107 115.700 -0.197 0.000 2.523 437 S HA 0.677 5.147 4.470 -0.000 0.000 0.275 437 S C -0.254 174.260 174.600 -0.143 0.000 1.281 437 S CA -0.631 57.531 58.200 -0.063 0.000 1.050 437 S CB 1.879 65.132 63.200 0.089 0.000 0.937 437 S HN 0.181 nan 8.310 nan 0.000 0.492 438 V N 3.800 123.634 119.914 -0.134 0.000 2.577 438 V HA 0.291 4.411 4.120 -0.000 0.000 0.303 438 V C -0.564 175.467 176.094 -0.105 0.000 1.042 438 V CA -0.952 61.265 62.300 -0.139 0.000 0.872 438 V CB 1.529 33.249 31.823 -0.171 0.000 0.998 438 V HN 0.859 nan 8.190 nan 0.000 0.423 439 L N 4.771 125.941 121.223 -0.089 0.000 2.698 439 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 439 L C 0.859 177.681 176.870 -0.081 0.000 1.154 439 L CA 0.500 55.296 54.840 -0.073 0.000 0.964 439 L CB -0.596 41.425 42.059 -0.063 0.000 1.272 439 L HN 0.536 nan 8.230 nan 0.000 0.483 440 R N 3.090 123.545 120.500 -0.076 0.000 2.357 440 R HA 0.289 4.629 4.340 -0.000 0.000 0.330 440 R C -0.432 175.828 176.300 -0.067 0.000 1.102 440 R CA 0.161 56.213 56.100 -0.080 0.000 0.974 440 R CB -0.421 29.839 30.300 -0.068 0.000 1.002 440 R HN 0.763 nan 8.270 nan 0.000 0.463 441 T N 0.263 114.773 114.554 -0.073 0.000 2.916 441 T HA 0.332 4.682 4.350 -0.000 0.000 0.305 441 T C -0.555 174.108 174.700 -0.062 0.000 1.119 441 T CA -1.114 60.952 62.100 -0.057 0.000 1.008 441 T CB 1.193 70.030 68.868 -0.051 0.000 1.129 441 T HN 0.518 nan 8.240 nan 0.000 0.480 442 E N 2.167 122.341 120.200 -0.043 0.000 2.168 442 E HA 0.118 4.468 4.350 -0.000 0.000 0.254 442 E C -0.055 176.514 176.600 -0.052 0.000 1.228 442 E CA -0.073 56.302 56.400 -0.042 0.000 0.956 442 E CB -0.088 29.603 29.700 -0.015 0.000 1.031 442 E HN 0.424 nan 8.360 nan 0.000 0.441 443 L N 3.872 125.054 121.223 -0.070 0.000 2.456 443 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 443 L C 0.687 177.517 176.870 -0.068 0.000 1.189 443 L CA 0.399 55.195 54.840 -0.073 0.000 0.846 443 L CB 0.261 42.276 42.059 -0.075 0.000 1.111 443 L HN 0.368 nan 8.230 nan 0.000 0.475 444 R N 2.841 123.299 120.500 -0.070 0.000 2.628 444 R HA 0.381 4.721 4.340 -0.000 0.000 0.288 444 R C -2.612 173.650 176.300 -0.063 0.000 0.980 444 R CA -2.134 53.931 56.100 -0.059 0.000 0.891 444 R CB 1.472 31.746 30.300 -0.042 0.000 1.188 444 R HN 0.284 nan 8.270 nan 0.000 0.450 445 P HA -0.017 nan 4.420 nan 0.000 0.258 445 P C 0.586 177.871 177.300 -0.026 0.000 1.187 445 P CA 1.094 64.175 63.100 -0.031 0.000 0.767 445 P CB 0.468 32.161 31.700 -0.011 0.000 0.770 446 G N 2.338 111.118 108.800 -0.032 0.000 2.336 446 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.194 446 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.194 446 G C 0.248 175.125 174.900 -0.039 0.000 0.999 446 G CA -0.386 44.700 45.100 -0.024 0.000 0.669 446 G HN 0.491 nan 8.290 nan 0.000 0.482 447 E N -0.157 120.007 120.200 -0.060 0.000 3.601 447 E HA 0.600 4.950 4.350 -0.000 0.000 0.273 447 E C -0.131 176.418 176.600 -0.085 0.000 1.368 447 E CA 0.147 56.508 56.400 -0.065 0.000 1.286 447 E CB 0.791 30.450 29.700 -0.068 0.000 1.383 447 E HN 0.097 nan 8.360 nan 0.000 0.746 448 T N 0.028 114.531 114.554 -0.085 0.000 2.900 448 T HA 0.491 4.841 4.350 -0.000 0.000 0.295 448 T C -1.828 172.810 174.700 -0.103 0.000 1.044 448 T CA -0.718 61.325 62.100 -0.095 0.000 0.995 448 T CB 0.980 69.810 68.868 -0.063 0.000 1.072 448 T HN 0.203 nan 8.240 nan 0.000 0.473 449 L N 3.983 125.132 121.223 -0.122 0.000 2.362 449 L HA 0.725 5.065 4.340 -0.000 0.000 0.271 449 L C -1.115 175.702 176.870 -0.089 0.000 1.002 449 L CA -0.494 54.280 54.840 -0.109 0.000 0.818 449 L CB 1.968 43.952 42.059 -0.126 0.000 1.298 449 L HN 0.589 nan 8.230 nan 0.000 0.420 450 N N 3.465 122.118 118.700 -0.078 0.000 2.501 450 N HA 0.381 5.121 4.740 -0.000 0.000 0.245 450 N C -1.165 174.286 175.510 -0.097 0.000 0.974 450 N CA -0.263 52.745 53.050 -0.069 0.000 0.941 450 N CB 1.721 40.176 38.487 -0.053 0.000 1.122 450 N HN 0.333 nan 8.380 nan 0.000 0.507 451 V N 2.869 122.716 119.914 -0.113 0.000 2.383 451 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 451 V C 0.072 175.992 176.094 -0.291 0.000 1.036 451 V CA -0.777 61.382 62.300 -0.234 0.000 0.889 451 V CB 0.693 32.348 31.823 -0.281 0.000 0.985 451 V HN 0.479 nan 8.190 nan 0.000 0.459 452 N N 3.803 122.293 118.700 -0.350 0.000 2.473 452 N HA 0.543 5.283 4.740 -0.000 0.000 0.291 452 N C -0.976 174.234 175.510 -0.501 0.000 1.083 452 N CA -0.336 52.564 53.050 -0.250 0.000 0.951 452 N CB 1.284 39.701 38.487 -0.116 0.000 1.164 452 N HN 0.466 nan 8.380 nan 0.000 0.480 453 F N 1.478 121.338 119.950 -0.149 0.000 2.443 453 F HA 0.303 4.830 4.527 -0.000 0.000 0.369 453 F C -0.143 175.558 175.800 -0.165 0.000 1.090 453 F CA -0.870 56.971 58.000 -0.264 0.000 1.129 453 F CB 0.757 39.416 39.000 -0.570 0.000 1.367 453 F HN 0.176 nan 8.300 nan 0.000 0.465 454 L N 4.720 125.969 121.223 0.043 0.000 2.265 454 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 454 L C -0.990 175.948 176.870 0.113 0.000 1.058 454 L CA -0.502 54.386 54.840 0.081 0.000 0.809 454 L CB 0.688 42.800 42.059 0.088 0.000 1.179 454 L HN 0.494 nan 8.230 nan 0.000 0.429 455 L N 5.890 127.179 121.223 0.109 0.000 2.334 455 L HA 0.649 4.989 4.340 -0.000 0.000 0.272 455 L C -0.665 176.271 176.870 0.110 0.000 1.020 455 L CA -0.273 54.635 54.840 0.114 0.000 0.812 455 L CB 1.372 43.473 42.059 0.070 0.000 1.264 455 L HN 0.770 nan 8.230 nan 0.000 0.439 456 R N 6.423 127.012 120.500 0.149 0.000 2.539 456 R HA 0.725 5.065 4.340 -0.000 0.000 0.295 456 R C -1.690 174.711 176.300 0.168 0.000 1.138 456 R CA -0.420 55.781 56.100 0.169 0.000 0.936 456 R CB 0.847 31.293 30.300 0.244 0.000 1.182 456 R HN 0.909 nan 8.270 nan 0.000 0.459 457 M N 0.783 120.448 119.600 0.107 0.000 2.853 457 M HA 0.316 4.796 4.480 -0.000 0.000 0.273 457 M C -1.662 174.679 176.300 0.068 0.000 1.128 457 M CA -1.153 54.203 55.300 0.093 0.000 0.814 457 M CB 1.370 34.014 32.600 0.073 0.000 1.667 457 M HN 0.355 nan 8.290 nan 0.000 0.519 458 D N 1.172 121.615 120.400 0.072 0.000 2.361 458 D HA 0.144 4.784 4.640 -0.000 0.000 0.239 458 D C 0.576 176.893 176.300 0.029 0.000 1.200 458 D CA -0.288 53.743 54.000 0.052 0.000 0.915 458 D CB 0.550 41.385 40.800 0.058 0.000 1.170 458 D HN 0.833 nan 8.370 nan 0.000 0.444 459 R N -0.283 120.218 120.500 0.001 0.000 2.319 459 R HA 0.287 4.627 4.340 -0.000 0.000 0.204 459 R C 1.313 177.567 176.300 -0.077 0.000 0.954 459 R CA 0.280 56.363 56.100 -0.027 0.000 1.066 459 R CB -0.391 29.893 30.300 -0.027 0.000 0.991 459 R HN 0.362 nan 8.270 nan 0.000 0.486 460 A N 1.147 123.910 122.820 -0.094 0.000 2.067 460 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 460 A C 0.809 178.015 177.584 -0.630 0.000 1.158 460 A CA 0.817 52.677 52.037 -0.295 0.000 0.661 460 A CB -0.278 18.601 19.000 -0.201 0.000 0.801 460 A HN 0.543 nan 8.150 nan 0.000 0.452 461 H N -1.966 117.088 119.070 -0.025 0.000 3.109 461 H HA 0.066 4.622 4.556 -0.000 0.000 0.248 461 H C 0.847 176.138 175.328 -0.060 0.000 1.177 461 H CA 0.685 56.711 56.048 -0.038 0.000 0.977 461 H CB 0.048 29.792 29.762 -0.030 0.000 2.165 461 H HN 0.768 nan 8.280 nan 0.000 0.693 462 E N 0.939 121.142 120.200 0.005 0.000 2.285 462 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 462 E C 1.924 178.481 176.600 -0.072 0.000 0.997 462 E CA 1.017 57.392 56.400 -0.041 0.000 0.845 462 E CB 0.118 29.797 29.700 -0.035 0.000 0.782 462 E HN 0.210 nan 8.360 nan 0.000 0.491 463 A N 1.146 123.931 122.820 -0.058 0.000 2.119 463 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 463 A C 1.853 179.393 177.584 -0.075 0.000 1.152 463 A CA 0.834 52.833 52.037 -0.062 0.000 0.708 463 A CB -0.228 18.742 19.000 -0.050 0.000 0.805 463 A HN 0.165 nan 8.150 nan 0.000 0.460 464 K N -0.230 120.129 120.400 -0.069 0.000 2.296 464 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 464 K C -0.193 176.293 176.600 -0.190 0.000 1.048 464 K CA 0.256 56.491 56.287 -0.087 0.000 0.966 464 K CB 0.019 32.499 32.500 -0.033 0.000 0.754 464 K HN 0.314 nan 8.250 nan 0.000 0.466 465 I N 2.511 122.940 120.570 -0.235 0.000 2.389 465 I HA 0.013 4.183 4.170 -0.000 0.000 0.295 465 I C 0.811 176.690 176.117 -0.397 0.000 1.117 465 I CA 0.552 61.609 61.300 -0.405 0.000 1.317 465 I CB 0.417 38.133 38.000 -0.474 0.000 1.431 465 I HN 0.059 nan 8.210 nan 0.000 0.521 466 R N 5.555 125.771 120.500 -0.472 0.000 2.404 466 R HA 0.197 4.537 4.340 -0.000 0.000 0.237 466 R C -0.674 175.552 176.300 -0.124 0.000 0.907 466 R CA 0.083 56.045 56.100 -0.229 0.000 1.063 466 R CB 0.257 30.539 30.300 -0.031 0.000 1.134 466 R HN 0.658 nan 8.270 nan 0.000 0.529 467 Y N -3.313 116.812 120.300 -0.292 0.000 2.620 467 Y HA 0.517 5.067 4.550 -0.000 0.000 0.331 467 Y C -1.275 174.372 175.900 -0.422 0.000 1.173 467 Y CA -2.094 55.851 58.100 -0.257 0.000 1.076 467 Y CB 0.170 38.579 38.460 -0.085 0.000 1.336 467 Y HN -0.218 nan 8.280 nan 0.000 0.459 468 Y N -0.073 120.265 120.300 0.064 0.000 2.602 468 Y HA 0.776 5.326 4.550 -0.000 0.000 0.330 468 Y C -0.114 175.823 175.900 0.061 0.000 1.114 468 Y CA -1.170 56.924 58.100 -0.009 0.000 1.182 468 Y CB 2.428 40.787 38.460 -0.169 0.000 1.305 468 Y HN 0.664 nan 8.280 nan 0.000 0.502 469 T N 2.035 116.695 114.554 0.178 0.000 2.934 469 T HA 0.286 4.636 4.350 -0.000 0.000 0.328 469 T C -1.430 173.452 174.700 0.303 0.000 1.068 469 T CA -0.666 61.513 62.100 0.133 0.000 1.018 469 T CB -0.631 68.211 68.868 -0.044 0.000 1.009 469 T HN 0.420 nan 8.240 nan 0.000 0.471 470 Y N 2.390 122.852 120.300 0.271 0.000 2.334 470 Y HA 0.863 5.413 4.550 -0.000 0.000 0.328 470 Y C -1.260 174.810 175.900 0.283 0.000 1.130 470 Y CA -1.702 56.585 58.100 0.312 0.000 1.163 470 Y CB 0.594 39.266 38.460 0.354 0.000 1.207 470 Y HN 0.277 nan 8.280 nan 0.000 0.471 471 L N 4.861 126.300 121.223 0.359 0.000 2.381 471 L HA 0.456 4.796 4.340 -0.000 0.000 0.268 471 L C -0.916 176.154 176.870 0.333 0.000 0.997 471 L CA -0.816 54.187 54.840 0.271 0.000 0.818 471 L CB 2.070 44.285 42.059 0.260 0.000 1.310 471 L HN 0.611 nan 8.230 nan 0.000 0.416 472 I N 3.626 124.372 120.570 0.293 0.000 2.307 472 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 472 I C -0.345 175.915 176.117 0.238 0.000 1.021 472 I CA -0.444 61.046 61.300 0.317 0.000 1.224 472 I CB 1.302 39.466 38.000 0.273 0.000 1.376 472 I HN 0.480 nan 8.210 nan 0.000 0.470 473 M N 6.153 125.921 119.600 0.280 0.000 2.144 473 M HA 0.282 4.762 4.480 -0.000 0.000 0.356 473 M C -0.059 176.392 176.300 0.250 0.000 1.217 473 M CA 0.100 55.537 55.300 0.227 0.000 1.087 473 M CB 0.467 33.197 32.600 0.217 0.000 1.609 473 M HN 0.503 nan 8.290 nan 0.000 0.467 474 N N 3.077 121.881 118.700 0.173 0.000 2.549 474 N HA 0.156 4.896 4.740 -0.000 0.000 0.290 474 N C -0.830 174.772 175.510 0.154 0.000 1.122 474 N CA -0.227 52.922 53.050 0.164 0.000 0.885 474 N CB 1.032 39.544 38.487 0.042 0.000 1.455 474 N HN 0.620 nan 8.380 nan 0.000 0.521 475 K N 2.321 122.843 120.400 0.202 0.000 3.035 475 K HA -0.199 4.121 4.320 -0.000 0.000 0.262 475 K C 0.402 177.117 176.600 0.192 0.000 1.024 475 K CA 0.803 57.226 56.287 0.226 0.000 0.748 475 K CB -1.525 31.122 32.500 0.245 0.000 1.247 475 K HN 1.004 nan 8.250 nan 0.000 0.482 476 G N 0.419 109.312 108.800 0.155 0.000 2.248 476 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.263 476 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.263 476 G C -0.120 174.816 174.900 0.060 0.000 1.082 476 G CA 0.658 45.819 45.100 0.102 0.000 0.863 476 G HN 0.748 nan 8.290 nan 0.000 0.495 477 R N -1.743 118.802 120.500 0.074 0.000 2.756 477 R HA 0.703 5.043 4.340 -0.000 0.000 0.273 477 R C -1.267 175.069 176.300 0.060 0.000 1.030 477 R CA -1.335 54.791 56.100 0.043 0.000 0.887 477 R CB 0.678 30.990 30.300 0.019 0.000 1.274 477 R HN 0.228 nan 8.270 nan 0.000 0.461 478 L N 2.803 124.050 121.223 0.040 0.000 2.259 478 L HA 0.272 4.612 4.340 -0.000 0.000 0.288 478 L C 0.904 177.786 176.870 0.020 0.000 1.051 478 L CA -0.611 54.263 54.840 0.056 0.000 0.824 478 L CB 1.469 43.568 42.059 0.065 0.000 1.206 478 L HN 0.618 nan 8.230 nan 0.000 0.429 479 L N 3.472 124.700 121.223 0.008 0.000 2.068 479 L HA 0.133 4.473 4.340 -0.000 0.000 0.204 479 L C 0.638 177.488 176.870 -0.033 0.000 1.076 479 L CA 1.686 56.486 54.840 -0.066 0.000 0.753 479 L CB -0.060 41.878 42.059 -0.202 0.000 0.910 479 L HN 0.579 nan 8.230 nan 0.000 0.439 480 K N -1.089 119.329 120.400 0.030 0.000 2.562 480 K HA 0.632 4.952 4.320 -0.000 0.000 0.267 480 K C -2.052 174.595 176.600 0.077 0.000 0.938 480 K CA -0.268 56.057 56.287 0.063 0.000 0.840 480 K CB 1.797 34.359 32.500 0.104 0.000 1.390 480 K HN 0.020 nan 8.250 nan 0.000 0.428 481 A N 1.727 124.547 122.820 -0.001 0.000 2.437 481 A HA 0.800 5.120 4.320 -0.000 0.000 0.293 481 A C -0.828 176.595 177.584 -0.270 0.000 1.038 481 A CA -0.085 51.870 52.037 -0.137 0.000 0.708 481 A CB 1.754 20.748 19.000 -0.008 0.000 1.251 481 A HN 0.850 nan 8.150 nan 0.000 0.409 482 G N 1.063 109.423 108.800 -0.733 0.000 2.911 482 G HA2 0.712 4.672 3.960 -0.000 0.000 0.299 482 G HA3 0.712 4.672 3.960 -0.000 0.000 0.299 482 G C -1.232 173.418 174.900 -0.417 0.000 1.283 482 G CA -0.649 44.164 45.100 -0.478 0.000 0.805 482 G HN 0.625 nan 8.290 nan 0.000 0.548 483 R N -0.689 119.802 120.500 -0.015 0.000 2.919 483 R HA 0.677 5.017 4.340 -0.000 0.000 0.260 483 R C -1.315 175.165 176.300 0.301 0.000 1.067 483 R CA -0.898 55.279 56.100 0.129 0.000 1.003 483 R CB 1.641 31.959 30.300 0.031 0.000 1.192 483 R HN 0.507 nan 8.270 nan 0.000 0.488 484 Q N 1.121 121.054 119.800 0.221 0.000 2.533 484 Q HA 0.240 4.579 4.340 -0.000 0.000 0.251 484 Q C -0.801 175.268 176.000 0.115 0.000 0.966 484 Q CA -0.586 55.279 55.803 0.104 0.000 0.714 484 Q CB 1.052 29.678 28.738 -0.187 0.000 1.284 484 Q HN 0.513 nan 8.270 nan 0.000 0.478 485 V N 1.467 121.440 119.914 0.098 0.000 3.061 485 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 485 V C -0.125 176.009 176.094 0.067 0.000 1.118 485 V CA -0.209 62.147 62.300 0.093 0.000 1.231 485 V CB 0.832 32.696 31.823 0.069 0.000 0.956 485 V HN 0.849 nan 8.190 nan 0.000 0.499 486 R N 1.898 122.420 120.500 0.037 0.000 2.522 486 R HA 0.467 4.807 4.340 -0.000 0.000 0.273 486 R C -1.376 174.915 176.300 -0.015 0.000 1.133 486 R CA -0.525 55.581 56.100 0.011 0.000 0.969 486 R CB 1.864 32.150 30.300 -0.023 0.000 1.235 486 R HN 0.914 nan 8.270 nan 0.000 0.433 487 E N 4.238 124.438 120.200 0.000 0.000 2.231 487 E HA 0.339 4.689 4.350 -0.000 0.000 0.277 487 E C -2.465 174.124 176.600 -0.019 0.000 0.999 487 E CA -2.103 54.292 56.400 -0.008 0.000 0.827 487 E CB 1.219 30.921 29.700 0.004 0.000 1.101 487 E HN 0.343 nan 8.360 nan 0.000 0.393 488 P HA 0.027 nan 4.420 nan 0.000 0.256 488 P C 0.499 177.788 177.300 -0.018 0.000 1.173 488 P CA 1.060 64.140 63.100 -0.033 0.000 0.768 488 P CB 0.399 32.079 31.700 -0.033 0.000 0.758 489 G N 2.577 111.368 108.800 -0.014 0.000 2.336 489 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.194 489 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.194 489 G C -0.073 174.831 174.900 0.007 0.000 0.999 489 G CA -0.537 44.561 45.100 -0.004 0.000 0.669 489 G HN 0.535 nan 8.290 nan 0.000 0.482 490 Q N 1.077 120.884 119.800 0.012 0.000 2.361 490 Q HA 0.414 4.754 4.340 -0.000 0.000 0.250 490 Q C -0.053 175.974 176.000 0.044 0.000 1.023 490 Q CA -0.437 55.383 55.803 0.030 0.000 0.915 490 Q CB 1.105 29.867 28.738 0.040 0.000 1.238 490 Q HN 0.191 nan 8.270 nan 0.000 0.451 491 D N 1.278 121.703 120.400 0.041 0.000 2.333 491 D HA 0.043 4.683 4.640 -0.000 0.000 0.208 491 D C -0.355 175.984 176.300 0.066 0.000 0.984 491 D CA 0.619 54.648 54.000 0.049 0.000 0.873 491 D CB 0.477 41.297 40.800 0.034 0.000 0.935 491 D HN 0.215 nan 8.370 nan 0.000 0.521 492 L N 0.788 122.050 121.223 0.064 0.000 2.516 492 L HA 0.353 4.692 4.340 -0.000 0.000 0.267 492 L C -0.975 175.945 176.870 0.083 0.000 0.957 492 L CA -1.036 53.847 54.840 0.071 0.000 0.860 492 L CB 1.815 43.901 42.059 0.045 0.000 1.265 492 L HN -0.150 nan 8.230 nan 0.000 0.403 493 V N 2.596 122.584 119.914 0.123 0.000 3.019 493 V HA 0.902 5.022 4.120 -0.000 0.000 0.317 493 V C -0.876 175.322 176.094 0.174 0.000 1.094 493 V CA -0.774 61.601 62.300 0.125 0.000 1.000 493 V CB 2.012 33.901 31.823 0.111 0.000 1.060 493 V HN 0.457 nan 8.190 nan 0.000 0.443 494 V N 2.651 122.642 119.914 0.129 0.000 2.604 494 V HA 0.554 4.674 4.120 -0.000 0.000 0.305 494 V C -0.681 175.486 176.094 0.121 0.000 1.043 494 V CA -0.466 61.905 62.300 0.117 0.000 0.888 494 V CB 1.561 33.413 31.823 0.048 0.000 0.995 494 V HN 0.886 nan 8.190 nan 0.000 0.429 495 L N 7.700 129.007 121.223 0.140 0.000 2.295 495 L HA 0.643 4.983 4.340 -0.000 0.000 0.281 495 L C -2.510 174.353 176.870 -0.012 0.000 1.018 495 L CA -1.921 52.963 54.840 0.073 0.000 0.841 495 L CB 1.560 43.707 42.059 0.145 0.000 1.218 495 L HN 0.380 nan 8.230 nan 0.000 0.424 496 P HA 0.102 nan 4.420 nan 0.000 0.264 496 P C -0.911 176.363 177.300 -0.044 0.000 1.537 496 P CA -0.132 62.953 63.100 -0.026 0.000 1.189 496 P CB 0.050 31.746 31.700 -0.007 0.000 1.687 497 L N 2.788 123.966 121.223 -0.075 0.000 2.276 497 L HA 0.334 4.674 4.340 -0.000 0.000 0.286 497 L C -0.005 176.792 176.870 -0.122 0.000 1.061 497 L CA 0.209 54.990 54.840 -0.097 0.000 0.807 497 L CB 0.825 42.801 42.059 -0.139 0.000 1.177 497 L HN 0.025 nan 8.230 nan 0.000 0.429 498 S N 6.615 122.266 115.700 -0.080 0.000 2.404 498 S HA 0.478 4.948 4.470 -0.000 0.000 0.309 498 S C -0.098 174.412 174.600 -0.149 0.000 1.076 498 S CA -0.564 57.588 58.200 -0.079 0.000 1.095 498 S CB 0.191 63.392 63.200 0.001 0.000 0.972 498 S HN 0.386 nan 8.310 nan 0.000 0.484 499 I N 4.684 125.069 120.570 -0.309 0.000 2.452 499 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 499 I C 1.449 177.520 176.117 -0.077 0.000 1.079 499 I CA 0.189 61.184 61.300 -0.508 0.000 1.387 499 I CB -0.164 37.529 38.000 -0.510 0.000 1.404 499 I HN 0.625 nan 8.210 nan 0.000 0.522 500 T N 1.650 116.353 114.554 0.249 0.000 2.850 500 T HA 0.280 4.630 4.350 -0.000 0.000 0.269 500 T C 1.141 175.940 174.700 0.166 0.000 1.075 500 T CA 0.275 62.491 62.100 0.193 0.000 0.987 500 T CB 0.776 69.747 68.868 0.173 0.000 1.889 500 T HN 0.587 nan 8.240 nan 0.000 0.584 501 T N -2.330 112.280 114.554 0.093 0.000 3.086 501 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 501 T C 0.647 175.368 174.700 0.034 0.000 1.074 501 T CA 0.040 62.172 62.100 0.053 0.000 0.988 501 T CB -0.297 68.595 68.868 0.040 0.000 0.988 501 T HN 0.417 nan 8.240 nan 0.000 0.530 502 D N 1.174 121.572 120.400 -0.003 0.000 2.162 502 D HA 0.130 4.770 4.640 -0.000 0.000 0.205 502 D C 1.404 177.630 176.300 -0.124 0.000 0.964 502 D CA 0.425 54.362 54.000 -0.105 0.000 0.847 502 D CB -0.503 40.148 40.800 -0.249 0.000 0.988 502 D HN 0.423 nan 8.370 nan 0.000 0.480 503 F N 1.424 121.314 119.950 -0.100 0.000 2.236 503 F HA -0.084 4.443 4.527 -0.000 0.000 0.302 503 F C 1.218 176.999 175.800 -0.031 0.000 1.073 503 F CA 0.287 58.224 58.000 -0.105 0.000 1.336 503 F CB -0.667 38.136 39.000 -0.329 0.000 1.040 503 F HN -0.116 nan 8.300 nan 0.000 0.507 504 I N 1.956 122.543 120.570 0.029 0.000 2.752 504 I HA -0.103 4.067 4.170 -0.000 0.000 0.289 504 I C -1.392 174.569 176.117 -0.260 0.000 1.197 504 I CA -1.161 60.002 61.300 -0.228 0.000 1.432 504 I CB 0.321 38.049 38.000 -0.453 0.000 1.359 504 I HN -0.115 nan 8.210 nan 0.000 0.571 505 P HA -0.022 nan 4.420 nan 0.000 0.211 505 P C 0.021 177.314 177.300 -0.011 0.000 1.188 505 P CA 0.604 63.548 63.100 -0.260 0.000 0.904 505 P CB 0.196 31.828 31.700 -0.112 0.000 0.765 506 S N -0.686 115.090 115.700 0.127 0.000 2.704 506 S HA 0.755 5.225 4.470 -0.000 0.000 0.305 506 S C -0.733 174.059 174.600 0.320 0.000 1.107 506 S CA -0.721 57.561 58.200 0.137 0.000 0.993 506 S CB 1.011 64.327 63.200 0.193 0.000 1.110 506 S HN 0.162 nan 8.310 nan 0.000 0.534 507 F N -1.849 118.135 119.950 0.057 0.000 2.641 507 F HA 0.748 5.275 4.527 -0.000 0.000 0.308 507 F C -0.893 174.990 175.800 0.139 0.000 1.105 507 F CA -1.194 56.905 58.000 0.165 0.000 0.964 507 F CB 1.260 40.444 39.000 0.306 0.000 1.294 507 F HN 0.612 nan 8.300 nan 0.000 0.442 508 R N 2.575 123.221 120.500 0.242 0.000 2.668 508 R HA 0.714 5.054 4.340 -0.000 0.000 0.279 508 R C -1.653 174.789 176.300 0.237 0.000 0.976 508 R CA -1.219 54.968 56.100 0.145 0.000 0.978 508 R CB 2.114 32.533 30.300 0.199 0.000 1.133 508 R HN 0.752 nan 8.270 nan 0.000 0.484 509 L N 3.746 125.053 121.223 0.139 0.000 2.372 509 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 509 L C -1.132 175.814 176.870 0.127 0.000 0.988 509 L CA -0.701 54.259 54.840 0.199 0.000 0.833 509 L CB 1.756 43.919 42.059 0.172 0.000 1.236 509 L HN 0.496 nan 8.230 nan 0.000 0.410 510 V N 2.582 122.602 119.914 0.177 0.000 2.384 510 V HA 0.956 5.076 4.120 -0.000 0.000 0.287 510 V C -0.057 176.178 176.094 0.235 0.000 1.020 510 V CA -0.507 61.855 62.300 0.102 0.000 0.850 510 V CB 1.098 32.924 31.823 0.004 0.000 0.987 510 V HN 0.890 nan 8.190 nan 0.000 0.436 511 A N 5.314 128.268 122.820 0.224 0.000 2.356 511 A HA 0.953 5.273 4.320 -0.000 0.000 0.310 511 A C -1.020 176.785 177.584 0.369 0.000 1.075 511 A CA -0.665 51.607 52.037 0.392 0.000 0.746 511 A CB 1.478 20.815 19.000 0.561 0.000 1.221 511 A HN 1.829 nan 8.150 nan 0.000 0.443 512 Y N 0.307 120.767 120.300 0.267 0.000 2.581 512 Y HA 0.817 5.367 4.550 -0.000 0.000 0.345 512 Y C -1.279 174.767 175.900 0.243 0.000 1.036 512 Y CA -1.761 56.430 58.100 0.150 0.000 1.042 512 Y CB 1.147 39.634 38.460 0.044 0.000 1.289 512 Y HN 0.917 nan 8.280 nan 0.000 0.471 513 Y N -0.637 119.674 120.300 0.018 0.000 2.524 513 Y HA 0.766 5.316 4.550 -0.000 0.000 0.347 513 Y C -0.990 174.834 175.900 -0.127 0.000 1.005 513 Y CA -1.226 56.735 58.100 -0.232 0.000 1.025 513 Y CB 1.784 40.101 38.460 -0.239 0.000 1.275 513 Y HN 0.913 nan 8.280 nan 0.000 0.460 514 T N 4.988 119.472 114.554 -0.117 0.000 2.887 514 T HA 0.832 5.182 4.350 -0.000 0.000 0.288 514 T C -1.113 173.523 174.700 -0.107 0.000 1.021 514 T CA -0.520 61.515 62.100 -0.108 0.000 1.000 514 T CB 0.793 69.585 68.868 -0.127 0.000 1.034 514 T HN 1.089 nan 8.240 nan 0.000 0.467 515 L N 0.971 122.149 121.223 -0.075 0.000 2.933 515 L HA 0.769 5.109 4.340 -0.000 0.000 0.271 515 L C -1.917 174.898 176.870 -0.092 0.000 1.071 515 L CA -1.402 53.392 54.840 -0.077 0.000 0.938 515 L CB 1.535 43.567 42.059 -0.045 0.000 1.534 515 L HN 0.458 nan 8.230 nan 0.000 0.396 516 I N 1.770 122.284 120.570 -0.094 0.000 2.412 516 I HA 0.690 4.860 4.170 -0.000 0.000 0.279 516 I C 0.680 176.642 176.117 -0.258 0.000 1.063 516 I CA 0.262 61.489 61.300 -0.121 0.000 1.193 516 I CB 0.839 38.802 38.000 -0.063 0.000 1.370 516 I HN 0.762 nan 8.210 nan 0.000 0.479 517 G N 2.789 111.373 108.800 -0.360 0.000 2.642 517 G HA2 0.724 4.684 3.960 -0.000 0.000 0.291 517 G HA3 0.724 4.684 3.960 -0.000 0.000 0.291 517 G C 0.467 175.135 174.900 -0.386 0.000 1.345 517 G CA -0.032 44.653 45.100 -0.691 0.000 1.043 517 G HN 0.814 nan 8.290 nan 0.000 0.528 518 A N -0.673 121.966 122.820 -0.302 0.000 5.093 518 A HA -0.192 4.128 4.320 -0.000 0.000 0.329 518 A C 1.295 178.852 177.584 -0.044 0.000 1.836 518 A CA 2.292 54.270 52.037 -0.098 0.000 0.707 518 A CB -1.711 17.237 19.000 -0.085 0.000 1.389 518 A HN 2.286 nan 8.150 nan 0.000 0.383 519 S N -0.158 115.515 115.700 -0.045 0.000 2.279 519 S HA 0.542 5.012 4.470 -0.000 0.000 0.176 519 S C 0.783 175.366 174.600 -0.029 0.000 1.554 519 S CA 1.100 59.289 58.200 -0.018 0.000 1.242 519 S CB -0.178 63.018 63.200 -0.007 0.000 1.163 519 S HN 2.708 nan 8.310 nan 0.000 0.449 520 G N 2.797 111.576 108.800 -0.035 0.000 2.168 520 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 520 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 520 G C -0.040 174.831 174.900 -0.049 0.000 0.997 520 G CA 0.755 45.834 45.100 -0.035 0.000 0.708 520 G HN 0.739 nan 8.290 nan 0.000 0.520 521 Q N -0.442 119.316 119.800 -0.071 0.000 2.274 521 Q HA 0.553 4.893 4.340 -0.000 0.000 0.256 521 Q C 0.418 176.360 176.000 -0.098 0.000 0.927 521 Q CA -1.008 54.749 55.803 -0.077 0.000 0.939 521 Q CB 0.561 29.251 28.738 -0.080 0.000 1.201 521 Q HN 0.253 nan 8.270 nan 0.000 0.426 522 R N 3.236 123.685 120.500 -0.086 0.000 2.248 522 R HA 0.122 4.462 4.340 -0.000 0.000 0.328 522 R C -1.037 175.179 176.300 -0.140 0.000 1.067 522 R CA 0.137 56.180 56.100 -0.096 0.000 0.924 522 R CB 0.584 30.846 30.300 -0.065 0.000 1.013 522 R HN 0.678 nan 8.270 nan 0.000 0.454 523 E N 3.046 123.148 120.200 -0.163 0.000 2.195 523 E HA 0.454 4.804 4.350 -0.000 0.000 0.271 523 E C -1.325 175.111 176.600 -0.273 0.000 0.923 523 E CA -0.989 55.273 56.400 -0.230 0.000 0.790 523 E CB 1.499 31.087 29.700 -0.186 0.000 1.155 523 E HN 0.363 nan 8.360 nan 0.000 0.402 524 V N 4.295 123.942 119.914 -0.444 0.000 2.483 524 V HA 0.374 4.494 4.120 -0.000 0.000 0.297 524 V C -0.761 175.102 176.094 -0.385 0.000 1.027 524 V CA -0.761 61.278 62.300 -0.434 0.000 0.855 524 V CB 1.737 33.238 31.823 -0.537 0.000 0.995 524 V HN 0.494 nan 8.190 nan 0.000 0.424 525 V N 3.994 123.664 119.914 -0.406 0.000 2.531 525 V HA 0.921 5.041 4.120 -0.000 0.000 0.301 525 V C 0.207 176.154 176.094 -0.244 0.000 1.034 525 V CA -0.205 61.904 62.300 -0.319 0.000 0.865 525 V CB 1.564 33.069 31.823 -0.529 0.000 0.995 525 V HN 1.039 nan 8.190 nan 0.000 0.424 526 A N 3.513 126.325 122.820 -0.013 0.000 2.437 526 A HA 1.007 5.327 4.320 -0.000 0.000 0.288 526 A C -1.377 176.140 177.584 -0.112 0.000 1.201 526 A CA -0.487 51.525 52.037 -0.042 0.000 0.795 526 A CB 2.074 20.928 19.000 -0.244 0.000 1.359 526 A HN 0.757 nan 8.150 nan 0.000 0.435 527 D N -1.363 118.960 120.400 -0.128 0.000 2.745 527 D HA 0.493 5.133 4.640 -0.000 0.000 0.221 527 D C -0.928 175.296 176.300 -0.127 0.000 1.237 527 D CA 0.375 54.290 54.000 -0.142 0.000 0.781 527 D CB 1.696 42.421 40.800 -0.124 0.000 1.575 527 D HN 0.826 nan 8.370 nan 0.000 0.482 528 S N 0.839 116.469 115.700 -0.118 0.000 2.600 528 S HA 0.881 5.351 4.470 -0.000 0.000 0.300 528 S C -1.129 173.428 174.600 -0.072 0.000 1.087 528 S CA -0.790 57.364 58.200 -0.077 0.000 0.965 528 S CB 2.017 65.184 63.200 -0.055 0.000 1.089 528 S HN 0.797 nan 8.310 nan 0.000 0.496 529 V N 1.719 121.602 119.914 -0.051 0.000 2.752 529 V HA 0.598 4.718 4.120 -0.000 0.000 0.302 529 V C -2.189 173.885 176.094 -0.033 0.000 1.133 529 V CA -0.607 61.654 62.300 -0.066 0.000 0.919 529 V CB 1.597 33.318 31.823 -0.170 0.000 1.026 529 V HN 1.072 nan 8.190 nan 0.000 0.429 530 W N 7.272 128.466 121.300 -0.177 0.000 2.361 530 W HA 0.747 5.407 4.660 -0.000 0.000 0.309 530 W C -1.233 175.109 176.519 -0.294 0.000 1.122 530 W CA -0.399 56.818 57.345 -0.214 0.000 1.208 530 W CB 1.511 30.895 29.460 -0.127 0.000 1.246 530 W HN 0.516 nan 8.180 nan 0.000 0.490 531 V N 6.576 125.785 119.914 -1.175 0.000 2.588 531 V HA 0.196 4.316 4.120 -0.000 0.000 0.304 531 V C -0.751 174.552 176.094 -1.320 0.000 1.042 531 V CA -0.847 60.727 62.300 -1.210 0.000 0.877 531 V CB 1.686 32.886 31.823 -1.038 0.000 0.996 531 V HN 0.521 nan 8.190 nan 0.000 0.425 532 D N 2.848 122.607 120.400 -1.068 0.000 2.175 532 D HA 0.624 5.264 4.640 -0.000 0.000 0.248 532 D C -0.722 175.404 176.300 -0.291 0.000 1.047 532 D CA -0.149 53.456 54.000 -0.659 0.000 0.883 532 D CB 1.885 42.340 40.800 -0.575 0.000 1.180 532 D HN 0.306 nan 8.370 nan 0.000 0.438 533 V N 2.709 122.541 119.914 -0.136 0.000 2.769 533 V HA 0.300 4.420 4.120 -0.000 0.000 0.312 533 V C -0.018 176.014 176.094 -0.104 0.000 1.058 533 V CA -1.141 61.115 62.300 -0.073 0.000 0.952 533 V CB 1.659 33.485 31.823 0.006 0.000 1.019 533 V HN 0.533 nan 8.190 nan 0.000 0.445 534 K N 2.766 123.112 120.400 -0.089 0.000 2.367 534 K HA -0.038 4.281 4.320 -0.000 0.000 0.275 534 K C -0.331 176.183 176.600 -0.144 0.000 1.125 534 K CA 0.368 56.603 56.287 -0.086 0.000 1.133 534 K CB -0.834 31.631 32.500 -0.059 0.000 0.875 534 K HN 0.552 nan 8.250 nan 0.000 0.467 535 D N 2.736 123.036 120.400 -0.167 0.000 2.412 535 D HA 0.052 4.692 4.640 -0.000 0.000 0.257 535 D C -0.170 176.005 176.300 -0.207 0.000 1.217 535 D CA 0.431 54.240 54.000 -0.319 0.000 0.897 535 D CB 0.374 41.039 40.800 -0.224 0.000 1.132 535 D HN 0.619 nan 8.370 nan 0.000 0.493 536 S N 0.629 116.173 115.700 -0.260 0.000 2.688 536 S HA 0.435 4.905 4.470 -0.000 0.000 0.275 536 S C -0.398 174.306 174.600 0.174 0.000 1.175 536 S CA -0.987 57.215 58.200 0.002 0.000 0.818 536 S CB 0.594 63.786 63.200 -0.012 0.000 1.157 536 S HN 0.450 nan 8.310 nan 0.000 0.482 537 C N 1.756 121.183 119.300 0.212 0.000 2.657 537 C HA 0.239 4.699 4.460 -0.000 0.000 0.420 537 C C 2.416 177.528 174.990 0.205 0.000 1.323 537 C CA -0.374 58.792 59.018 0.246 0.000 1.894 537 C CB -0.345 27.464 27.740 0.115 0.000 2.681 537 C HN 0.676 nan 8.230 nan 0.000 0.613 538 V N 3.409 123.482 119.914 0.264 0.000 2.287 538 V HA -0.080 4.040 4.120 -0.000 0.000 0.248 538 V C 1.871 178.023 176.094 0.097 0.000 1.053 538 V CA 2.614 65.024 62.300 0.184 0.000 1.027 538 V CB -1.224 30.710 31.823 0.186 0.000 0.646 538 V HN 1.132 nan 8.190 nan 0.000 0.447 539 G N -1.093 107.753 108.800 0.076 0.000 2.727 539 G HA2 0.497 4.457 3.960 -0.000 0.000 0.212 539 G HA3 0.497 4.457 3.960 -0.000 0.000 0.212 539 G C -0.099 174.826 174.900 0.043 0.000 2.076 539 G CA 0.720 45.850 45.100 0.051 0.000 0.744 539 G HN 0.778 nan 8.290 nan 0.000 0.775 540 S N -1.671 114.048 115.700 0.032 0.000 2.586 540 S HA 0.565 5.035 4.470 -0.000 0.000 0.277 540 S C -1.944 172.665 174.600 0.015 0.000 1.131 540 S CA -0.603 57.612 58.200 0.025 0.000 0.848 540 S CB 1.820 65.034 63.200 0.024 0.000 1.091 540 S HN 1.338 nan 8.310 nan 0.000 0.453 541 L N 1.654 122.883 121.223 0.010 0.000 2.753 541 L HA 0.696 5.036 4.340 -0.000 0.000 0.259 541 L C -1.950 174.922 176.870 0.003 0.000 0.958 541 L CA -0.086 54.756 54.840 0.003 0.000 0.955 541 L CB 1.458 43.511 42.059 -0.010 0.000 1.317 541 L HN 0.806 nan 8.230 nan 0.000 0.436 542 V N 4.795 124.713 119.914 0.006 0.000 2.680 542 V HA 0.714 4.834 4.120 -0.000 0.000 0.309 542 V C -0.657 175.441 176.094 0.007 0.000 1.052 542 V CA -0.749 61.555 62.300 0.006 0.000 0.908 542 V CB 2.240 34.068 31.823 0.007 0.000 1.001 542 V HN 0.379 nan 8.190 nan 0.000 0.431 543 V N 5.312 125.229 119.914 0.006 0.000 2.357 543 V HA 0.438 4.558 4.120 -0.000 0.000 0.281 543 V C 0.019 176.118 176.094 0.008 0.000 1.015 543 V CA -0.713 61.592 62.300 0.008 0.000 0.827 543 V CB 1.193 33.021 31.823 0.009 0.000 1.018 543 V HN 1.023 nan 8.190 nan 0.000 0.432 544 K N 1.941 122.346 120.400 0.009 0.000 2.354 544 K HA 0.785 5.105 4.320 -0.000 0.000 0.238 544 K C -0.007 176.599 176.600 0.010 0.000 1.068 544 K CA -0.696 55.596 56.287 0.008 0.000 0.925 544 K CB 1.622 34.126 32.500 0.008 0.000 1.286 544 K HN 0.360 nan 8.250 nan 0.000 0.500 545 S N -1.298 114.408 115.700 0.010 0.000 2.565 545 S HA 0.279 4.749 4.470 -0.000 0.000 0.274 545 S C 0.865 175.471 174.600 0.010 0.000 1.309 545 S CA -0.295 57.911 58.200 0.011 0.000 1.043 545 S CB 0.587 63.794 63.200 0.011 0.000 0.939 545 S HN 0.720 nan 8.310 nan 0.000 0.504 546 G N 2.670 111.476 108.800 0.010 0.000 2.683 546 G HA2 0.087 4.047 3.960 -0.000 0.000 0.213 546 G HA3 0.087 4.047 3.960 -0.000 0.000 0.213 546 G C 0.511 175.415 174.900 0.008 0.000 1.142 546 G CA 0.037 45.142 45.100 0.009 0.000 0.793 546 G HN 0.610 nan 8.290 nan 0.000 0.534 547 Q N 0.765 120.570 119.800 0.008 0.000 2.443 547 Q HA 0.337 4.677 4.340 -0.000 0.000 0.232 547 Q C 0.965 176.969 176.000 0.007 0.000 1.026 547 Q CA 0.088 55.895 55.803 0.007 0.000 0.924 547 Q CB 1.005 29.748 28.738 0.008 0.000 1.256 547 Q HN 0.208 nan 8.270 nan 0.000 0.519 548 S N 1.219 116.923 115.700 0.006 0.000 3.697 548 S HA 0.128 4.598 4.470 -0.000 0.000 0.207 548 S C 0.564 175.168 174.600 0.006 0.000 1.459 548 S CA 0.258 58.461 58.200 0.006 0.000 1.122 548 S CB -0.344 62.858 63.200 0.005 0.000 1.311 548 S HN 0.795 nan 8.310 nan 0.000 0.487 549 E N 0.870 121.074 120.200 0.007 0.000 3.871 549 E HA -0.451 3.899 4.350 -0.000 0.000 0.238 549 E C 0.115 176.719 176.600 0.008 0.000 1.237 549 E CA 1.985 58.389 56.400 0.007 0.000 2.074 549 E CB -1.949 27.755 29.700 0.007 0.000 1.805 549 E HN 0.590 nan 8.360 nan 0.000 0.314 550 D N 0.028 120.432 120.400 0.006 0.000 3.393 550 D HA -0.243 4.397 4.640 -0.000 0.000 0.178 550 D C 0.748 177.052 176.300 0.007 0.000 1.201 550 D CA 2.463 56.467 54.000 0.006 0.000 1.086 550 D CB -1.047 39.756 40.800 0.005 0.000 0.568 550 D HN 0.717 nan 8.370 nan 0.000 0.637 551 R N 0.337 120.841 120.500 0.007 0.000 3.067 551 R HA 0.634 4.974 4.340 -0.000 0.000 0.222 551 R C -0.143 176.164 176.300 0.010 0.000 1.551 551 R CA -0.859 55.246 56.100 0.008 0.000 1.034 551 R CB 0.404 30.707 30.300 0.005 0.000 1.889 551 R HN 0.377 nan 8.270 nan 0.000 0.526 552 Q N 0.809 120.616 119.800 0.011 0.000 2.259 552 Q HA 0.328 4.668 4.340 -0.000 0.000 0.249 552 Q C -2.088 173.917 176.000 0.008 0.000 0.914 552 Q CA -1.964 53.847 55.803 0.015 0.000 0.904 552 Q CB 1.041 29.791 28.738 0.021 0.000 1.213 552 Q HN 0.391 nan 8.270 nan 0.000 0.428 553 P HA 0.001 nan 4.420 nan 0.000 0.270 553 P C -1.068 176.231 177.300 -0.001 0.000 1.227 553 P CA -0.170 62.933 63.100 0.006 0.000 0.788 553 P CB 0.507 32.214 31.700 0.011 0.000 0.926 554 V N 2.202 122.113 119.914 -0.005 0.000 2.555 554 V HA 0.295 4.415 4.120 -0.000 0.000 0.302 554 V C -2.229 173.859 176.094 -0.011 0.000 1.038 554 V CA -1.956 60.336 62.300 -0.013 0.000 0.887 554 V CB 1.374 33.188 31.823 -0.015 0.000 0.991 554 V HN 0.511 nan 8.190 nan 0.000 0.434 555 P HA 0.169 nan 4.420 nan 0.000 0.253 555 P C 0.662 177.957 177.300 -0.008 0.000 1.170 555 P CA 1.344 64.437 63.100 -0.012 0.000 0.806 555 P CB -0.104 31.584 31.700 -0.021 0.000 0.775 556 G N 1.723 110.521 108.800 -0.003 0.000 2.226 556 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.176 556 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.176 556 G C -0.391 174.508 174.900 -0.002 0.000 1.042 556 G CA -0.554 44.545 45.100 -0.002 0.000 0.732 556 G HN 0.638 nan 8.290 nan 0.000 0.494 557 Q N -0.441 119.360 119.800 0.000 0.000 2.394 557 Q HA 0.582 4.922 4.340 -0.000 0.000 0.273 557 Q C -0.104 175.898 176.000 0.004 0.000 1.089 557 Q CA -0.802 55.001 55.803 0.001 0.000 0.812 557 Q CB 1.354 30.092 28.738 0.000 0.000 1.353 557 Q HN 0.452 nan 8.270 nan 0.000 0.438 558 Q N 2.808 122.610 119.800 0.003 0.000 2.293 558 Q HA 0.446 4.786 4.340 -0.000 0.000 0.251 558 Q C -0.554 175.449 176.000 0.006 0.000 0.930 558 Q CA 0.010 55.816 55.803 0.005 0.000 0.893 558 Q CB 1.279 30.019 28.738 0.004 0.000 1.215 558 Q HN 0.579 nan 8.270 nan 0.000 0.425 559 M N -1.140 118.465 119.600 0.008 0.000 2.378 559 M HA 0.482 4.962 4.480 -0.000 0.000 0.289 559 M C -1.083 175.222 176.300 0.009 0.000 1.136 559 M CA -0.870 54.436 55.300 0.009 0.000 0.917 559 M CB 2.084 34.690 32.600 0.011 0.000 1.669 559 M HN 0.190 nan 8.290 nan 0.000 0.461 560 T N 3.531 118.091 114.554 0.009 0.000 2.814 560 T HA 0.428 4.778 4.350 -0.000 0.000 0.297 560 T C -0.663 174.044 174.700 0.011 0.000 0.956 560 T CA -0.242 61.863 62.100 0.009 0.000 1.123 560 T CB 0.552 69.425 68.868 0.008 0.000 0.902 560 T HN 0.543 nan 8.240 nan 0.000 0.528 561 L N 4.687 125.917 121.223 0.011 0.000 2.313 561 L HA 0.411 4.751 4.340 -0.000 0.000 0.273 561 L C 0.128 177.005 176.870 0.012 0.000 1.028 561 L CA -0.450 54.398 54.840 0.012 0.000 0.871 561 L CB 0.522 42.589 42.059 0.014 0.000 1.242 561 L HN 0.467 nan 8.230 nan 0.000 0.434 562 K N 5.109 125.516 120.400 0.011 0.000 2.368 562 K HA 0.409 4.729 4.320 -0.000 0.000 0.282 562 K C -0.995 175.612 176.600 0.012 0.000 1.035 562 K CA -0.145 56.149 56.287 0.011 0.000 0.973 562 K CB 0.505 33.012 32.500 0.011 0.000 0.957 562 K HN 0.664 nan 8.250 nan 0.000 0.474 563 I N 4.573 125.151 120.570 0.012 0.000 2.448 563 I HA 0.131 4.301 4.170 -0.000 0.000 0.281 563 I C -0.671 175.454 176.117 0.014 0.000 1.027 563 I CA -0.489 60.818 61.300 0.012 0.000 1.111 563 I CB 1.794 39.800 38.000 0.011 0.000 1.236 563 I HN 0.599 nan 8.210 nan 0.000 0.452 564 E N 5.507 125.715 120.200 0.014 0.000 2.079 564 E HA 0.419 4.769 4.350 -0.000 0.000 0.252 564 E C 0.262 176.872 176.600 0.017 0.000 0.992 564 E CA -0.325 56.085 56.400 0.017 0.000 0.829 564 E CB 1.429 31.137 29.700 0.015 0.000 1.158 564 E HN 0.771 nan 8.360 nan 0.000 0.435 565 G N 1.914 110.726 108.800 0.020 0.000 3.016 565 G HA2 0.251 4.211 3.960 -0.000 0.000 0.270 565 G HA3 0.251 4.211 3.960 -0.000 0.000 0.270 565 G C -0.590 174.329 174.900 0.031 0.000 1.352 565 G CA -0.644 44.467 45.100 0.018 0.000 1.060 565 G HN 0.218 nan 8.290 nan 0.000 0.538 566 D N -0.527 119.891 120.400 0.029 0.000 2.313 566 D HA 0.309 4.949 4.640 -0.000 0.000 0.247 566 D C 0.049 176.390 176.300 0.067 0.000 1.094 566 D CA 0.060 54.091 54.000 0.052 0.000 0.925 566 D CB 1.171 41.995 40.800 0.040 0.000 1.188 566 D HN 0.400 nan 8.370 nan 0.000 0.430 567 H N -0.562 118.513 119.070 0.009 0.000 2.707 567 H HA 0.359 4.915 4.556 -0.000 0.000 0.359 567 H C 1.368 176.702 175.328 0.010 0.000 1.113 567 H CA 1.056 57.109 56.048 0.009 0.000 1.422 567 H CB 0.566 30.333 29.762 0.009 0.000 1.443 567 H HN 0.555 nan 8.280 nan 0.000 0.591 568 G N 2.213 110.590 108.800 -0.704 0.000 2.166 568 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 568 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 568 G C 0.133 174.936 174.900 -0.162 0.000 0.986 568 G CA 0.449 45.297 45.100 -0.420 0.000 0.683 568 G HN 0.928 nan 8.290 nan 0.000 0.527 569 A N -0.317 122.433 122.820 -0.116 0.000 2.305 569 A HA 0.808 5.128 4.320 -0.000 0.000 0.322 569 A C 0.462 178.022 177.584 -0.041 0.000 1.187 569 A CA -0.111 51.896 52.037 -0.051 0.000 0.825 569 A CB 0.687 19.672 19.000 -0.025 0.000 1.164 569 A HN 0.713 nan 8.150 nan 0.000 0.498 570 R N 2.523 123.012 120.500 -0.017 0.000 2.221 570 R HA 0.500 4.840 4.340 -0.000 0.000 0.327 570 R C -1.476 174.833 176.300 0.015 0.000 1.033 570 R CA -0.203 55.896 56.100 -0.001 0.000 0.887 570 R CB 0.591 30.899 30.300 0.013 0.000 1.057 570 R HN 0.445 nan 8.270 nan 0.000 0.455 571 V N 6.386 126.307 119.914 0.012 0.000 2.394 571 V HA 0.254 4.374 4.120 -0.000 0.000 0.282 571 V C -0.097 176.018 176.094 0.036 0.000 1.031 571 V CA -0.735 61.577 62.300 0.020 0.000 0.881 571 V CB 1.470 33.299 31.823 0.009 0.000 0.982 571 V HN 0.626 nan 8.190 nan 0.000 0.451 572 V N 4.706 124.657 119.914 0.062 0.000 2.398 572 V HA 0.670 4.790 4.120 -0.000 0.000 0.286 572 V C -0.326 175.806 176.094 0.065 0.000 1.026 572 V CA -0.573 61.769 62.300 0.071 0.000 0.868 572 V CB 1.145 33.039 31.823 0.118 0.000 0.982 572 V HN 0.634 nan 8.190 nan 0.000 0.443 573 L N 4.620 125.871 121.223 0.047 0.000 2.365 573 L HA 0.894 5.234 4.340 -0.000 0.000 0.267 573 L C -0.250 176.652 176.870 0.052 0.000 1.033 573 L CA -1.070 53.797 54.840 0.045 0.000 0.802 573 L CB 1.956 44.035 42.059 0.033 0.000 1.267 573 L HN 0.638 nan 8.230 nan 0.000 0.457 574 V N 0.732 120.680 119.914 0.057 0.000 2.812 574 V HA 0.571 4.691 4.120 -0.000 0.000 0.280 574 V C -1.183 174.954 176.094 0.072 0.000 1.324 574 V CA -0.309 62.030 62.300 0.064 0.000 0.933 574 V CB 1.582 33.453 31.823 0.080 0.000 1.091 574 V HN 0.842 nan 8.190 nan 0.000 0.455 575 A N 6.288 129.147 122.820 0.064 0.000 2.290 575 A HA 0.911 5.230 4.320 -0.000 0.000 0.310 575 A C -0.769 176.866 177.584 0.085 0.000 1.202 575 A CA -0.444 51.638 52.037 0.073 0.000 0.837 575 A CB 1.564 20.598 19.000 0.057 0.000 1.139 575 A HN 1.415 nan 8.150 nan 0.000 0.509 576 V N 2.577 122.567 119.914 0.127 0.000 2.709 576 V HA 0.250 4.370 4.120 -0.000 0.000 0.308 576 V C -0.601 175.605 176.094 0.187 0.000 1.062 576 V CA -0.854 61.528 62.300 0.137 0.000 0.901 576 V CB 2.001 33.922 31.823 0.164 0.000 1.003 576 V HN 0.984 nan 8.190 nan 0.000 0.425 577 D N 3.018 123.492 120.400 0.123 0.000 2.425 577 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 577 D C 1.126 177.561 176.300 0.225 0.000 1.147 577 D CA 0.220 54.304 54.000 0.139 0.000 0.879 577 D CB 1.201 42.055 40.800 0.091 0.000 1.179 577 D HN 0.512 nan 8.370 nan 0.000 0.456 578 K N 2.238 122.790 120.400 0.254 0.000 2.280 578 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 578 K C 1.812 178.575 176.600 0.272 0.000 1.047 578 K CA 0.895 57.387 56.287 0.342 0.000 0.942 578 K CB 0.024 32.620 32.500 0.161 0.000 0.739 578 K HN 0.556 nan 8.250 nan 0.000 0.457 579 G N 0.845 109.735 108.800 0.150 0.000 2.470 579 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 579 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 579 G C 1.445 176.351 174.900 0.010 0.000 1.121 579 G CA 0.389 45.534 45.100 0.075 0.000 0.766 579 G HN 0.100 nan 8.290 nan 0.000 0.553 580 V N 0.099 119.988 119.914 -0.040 0.000 2.453 580 V HA -0.018 4.102 4.120 -0.000 0.000 0.247 580 V C 2.182 178.079 176.094 -0.328 0.000 1.048 580 V CA 1.041 63.188 62.300 -0.255 0.000 1.049 580 V CB -0.572 30.994 31.823 -0.428 0.000 0.672 580 V HN 0.362 nan 8.190 nan 0.000 0.457 581 F N -0.584 119.331 119.950 -0.058 0.000 2.802 581 F HA 0.029 4.556 4.527 -0.000 0.000 0.300 581 F C 1.988 177.753 175.800 -0.060 0.000 1.168 581 F CA 0.408 58.377 58.000 -0.052 0.000 1.433 581 F CB -0.660 38.326 39.000 -0.025 0.000 1.115 581 F HN -0.041 nan 8.300 nan 0.000 0.582 582 V N -0.562 119.387 119.914 0.058 0.000 2.488 582 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 582 V C 1.965 178.025 176.094 -0.057 0.000 1.046 582 V CA 1.360 63.658 62.300 -0.002 0.000 1.053 582 V CB -0.339 31.460 31.823 -0.040 0.000 0.679 582 V HN 0.221 nan 8.190 nan 0.000 0.458 583 L N -0.253 120.897 121.223 -0.123 0.000 2.416 583 L HA 0.285 4.625 4.340 -0.000 0.000 0.216 583 L C 0.633 177.419 176.870 -0.140 0.000 1.098 583 L CA 0.892 55.633 54.840 -0.165 0.000 0.840 583 L CB -0.281 41.597 42.059 -0.301 0.000 0.981 583 L HN 0.402 nan 8.230 nan 0.000 0.462 584 N N 0.033 118.659 118.700 -0.124 0.000 2.648 584 N HA 0.135 4.875 4.740 -0.000 0.000 0.272 584 N C -0.632 174.871 175.510 -0.012 0.000 1.118 584 N CA -0.262 52.742 53.050 -0.076 0.000 0.973 584 N CB 1.049 39.467 38.487 -0.115 0.000 1.565 584 N HN 0.149 nan 8.380 nan 0.000 0.542 585 K N 1.338 121.785 120.400 0.078 0.000 2.646 585 K HA 0.386 4.706 4.320 -0.000 0.000 0.206 585 K C -0.327 176.364 176.600 0.153 0.000 1.069 585 K CA -0.469 55.941 56.287 0.204 0.000 1.067 585 K CB 0.511 33.138 32.500 0.211 0.000 0.807 585 K HN 0.209 nan 8.250 nan 0.000 0.482 586 K N 0.978 121.439 120.400 0.101 0.000 2.132 586 K HA 0.299 4.619 4.320 -0.000 0.000 0.241 586 K C -0.355 176.312 176.600 0.112 0.000 1.000 586 K CA -0.857 55.487 56.287 0.095 0.000 0.911 586 K CB 0.647 33.188 32.500 0.068 0.000 1.093 586 K HN 0.220 nan 8.250 nan 0.000 0.460 587 N N 0.657 119.425 118.700 0.113 0.000 2.735 587 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 587 N C -1.310 174.288 175.510 0.146 0.000 1.083 587 N CA 0.506 53.634 53.050 0.130 0.000 0.703 587 N CB -0.851 37.720 38.487 0.141 0.000 1.005 587 N HN 0.332 nan 8.380 nan 0.000 0.550 588 K N 1.077 121.563 120.400 0.144 0.000 2.276 588 K HA 0.249 4.569 4.320 -0.000 0.000 0.285 588 K C -0.039 176.633 176.600 0.121 0.000 1.062 588 K CA -0.776 55.604 56.287 0.156 0.000 0.918 588 K CB 1.187 33.789 32.500 0.169 0.000 1.055 588 K HN 0.054 nan 8.250 nan 0.000 0.477 589 L N 3.468 124.762 121.223 0.119 0.000 2.597 589 L HA 0.052 4.392 4.340 -0.000 0.000 0.271 589 L C -0.695 176.187 176.870 0.020 0.000 1.157 589 L CA 1.234 56.119 54.840 0.076 0.000 0.928 589 L CB 0.007 42.116 42.059 0.083 0.000 1.216 589 L HN 0.553 nan 8.230 nan 0.000 0.481 590 T N 3.620 118.171 114.554 -0.004 0.000 2.900 590 T HA 0.176 4.526 4.350 -0.000 0.000 0.295 590 T C 0.517 175.171 174.700 -0.077 0.000 1.044 590 T CA -0.271 61.816 62.100 -0.022 0.000 0.995 590 T CB 1.849 70.730 68.868 0.021 0.000 1.072 590 T HN 0.551 nan 8.240 nan 0.000 0.473 591 Q N 1.480 121.234 119.800 -0.077 0.000 2.234 591 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 591 Q C 2.311 178.320 176.000 0.015 0.000 0.980 591 Q CA 1.934 57.672 55.803 -0.109 0.000 0.869 591 Q CB -0.385 28.356 28.738 0.005 0.000 0.912 591 Q HN 0.660 nan 8.270 nan 0.000 0.436 592 S N -0.632 115.122 115.700 0.091 0.000 2.383 592 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 592 S C 1.541 176.220 174.600 0.133 0.000 1.026 592 S CA 1.291 59.587 58.200 0.161 0.000 0.981 592 S CB -0.054 63.218 63.200 0.121 0.000 0.818 592 S HN 0.448 nan 8.310 nan 0.000 0.472 593 K N 0.379 120.819 120.400 0.067 0.000 2.228 593 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 593 K C 1.921 178.560 176.600 0.064 0.000 1.051 593 K CA 0.999 57.338 56.287 0.086 0.000 0.960 593 K CB -0.165 32.391 32.500 0.093 0.000 0.743 593 K HN 0.436 nan 8.250 nan 0.000 0.458 594 I N -0.404 120.090 120.570 -0.127 0.000 2.163 594 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 594 I C 1.823 177.789 176.117 -0.252 0.000 1.081 594 I CA 1.513 62.596 61.300 -0.361 0.000 1.353 594 I CB -0.320 37.141 38.000 -0.898 0.000 1.054 594 I HN 0.269 nan 8.210 nan 0.000 0.407 595 W N 1.027 122.311 121.300 -0.026 0.000 2.465 595 W HA -0.177 4.483 4.660 -0.000 0.000 0.268 595 W C 2.218 178.771 176.519 0.058 0.000 1.242 595 W CA 0.513 57.863 57.345 0.007 0.000 1.248 595 W CB -0.387 29.084 29.460 0.018 0.000 1.118 595 W HN 0.186 nan 8.180 nan 0.000 0.587 596 D N 0.277 120.832 120.400 0.258 0.000 2.117 596 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 596 D C 1.978 178.396 176.300 0.197 0.000 0.987 596 D CA 1.379 55.503 54.000 0.207 0.000 0.829 596 D CB -0.160 40.741 40.800 0.169 0.000 0.961 596 D HN -0.004 nan 8.370 nan 0.000 0.460 597 V N -0.122 119.913 119.914 0.202 0.000 2.453 597 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 597 V C 2.667 178.910 176.094 0.248 0.000 1.048 597 V CA 1.043 63.486 62.300 0.239 0.000 1.049 597 V CB -0.184 31.819 31.823 0.298 0.000 0.672 597 V HN 0.103 nan 8.190 nan 0.000 0.457 598 V N -0.144 119.843 119.914 0.123 0.000 2.358 598 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 598 V C 2.602 178.859 176.094 0.271 0.000 1.047 598 V CA 1.959 64.337 62.300 0.130 0.000 1.035 598 V CB -0.526 31.338 31.823 0.068 0.000 0.658 598 V HN 0.548 nan 8.190 nan 0.000 0.452 599 E N 1.123 121.478 120.200 0.258 0.000 2.106 599 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 599 E C 1.628 178.333 176.600 0.174 0.000 0.984 599 E CA 0.962 57.501 56.400 0.231 0.000 0.806 599 E CB -0.050 29.786 29.700 0.227 0.000 0.750 599 E HN 0.538 nan 8.360 nan 0.000 0.458 600 K N -0.094 120.406 120.400 0.167 0.000 2.790 600 K HA 0.151 4.471 4.320 -0.000 0.000 0.229 600 K C 0.442 177.133 176.600 0.151 0.000 1.040 600 K CA 0.301 56.663 56.287 0.126 0.000 1.211 600 K CB 0.322 32.890 32.500 0.113 0.000 1.002 600 K HN 0.017 nan 8.250 nan 0.000 0.479 601 A N 0.319 123.253 122.820 0.190 0.000 2.701 601 A HA 0.084 4.404 4.320 -0.000 0.000 0.241 601 A C -0.563 177.128 177.584 0.179 0.000 1.231 601 A CA -0.444 51.717 52.037 0.207 0.000 1.003 601 A CB 0.418 19.624 19.000 0.344 0.000 1.281 601 A HN 0.148 nan 8.150 nan 0.000 0.600 602 D N 0.680 121.172 120.400 0.154 0.000 2.423 602 D HA 0.126 4.766 4.640 -0.000 0.000 0.238 602 D C 1.617 177.969 176.300 0.087 0.000 1.142 602 D CA 0.077 54.156 54.000 0.131 0.000 0.884 602 D CB 0.648 41.520 40.800 0.120 0.000 1.199 602 D HN 0.496 nan 8.370 nan 0.000 0.438 603 I N -1.286 119.333 120.570 0.082 0.000 3.444 603 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 603 I C 0.889 177.039 176.117 0.055 0.000 1.302 603 I CA 0.011 61.346 61.300 0.059 0.000 1.368 603 I CB -0.293 37.740 38.000 0.054 0.000 1.048 603 I HN 0.092 nan 8.210 nan 0.000 0.487 604 G N -0.397 108.434 108.800 0.052 0.000 2.410 604 G HA2 0.475 4.435 3.960 -0.000 0.000 0.330 604 G HA3 0.475 4.435 3.960 -0.000 0.000 0.330 604 G C -0.098 174.796 174.900 -0.009 0.000 1.142 604 G CA -0.402 44.718 45.100 0.032 0.000 0.902 604 G HN 0.315 nan 8.290 nan 0.000 0.491 605 c N -0.858 117.733 118.600 -0.014 0.000 2.508 605 c HA 0.289 4.859 4.570 -0.000 0.000 0.407 605 c C 1.302 175.359 174.090 -0.054 0.000 1.494 605 c CA 0.287 56.594 56.329 -0.036 0.000 2.531 605 c CB -0.133 42.377 42.510 -0.001 0.000 2.480 605 c HN 0.623 nan 8.230 nan 0.000 0.614 606 T N 3.785 118.339 114.554 -0.000 0.000 2.853 606 T HA 0.107 4.457 4.350 -0.000 0.000 0.298 606 T C -1.567 173.129 174.700 -0.007 0.000 0.978 606 T CA 0.016 62.137 62.100 0.034 0.000 1.152 606 T CB 0.734 69.670 68.868 0.113 0.000 0.914 606 T HN 0.281 nan 8.240 nan 0.000 0.539 607 P HA 0.074 nan 4.420 nan 0.000 0.221 607 P C 0.523 177.878 177.300 0.092 0.000 1.145 607 P CA 0.785 63.871 63.100 -0.024 0.000 0.795 607 P CB 0.116 31.824 31.700 0.013 0.000 0.775 608 G N -2.773 106.088 108.800 0.100 0.000 2.402 608 G HA2 0.400 4.359 3.960 -0.000 0.000 0.301 608 G HA3 0.400 4.359 3.960 -0.000 0.000 0.301 608 G C -0.917 174.060 174.900 0.128 0.000 1.615 608 G CA 0.114 45.268 45.100 0.089 0.000 0.889 608 G HN 0.074 nan 8.290 nan 0.000 0.647 609 S N -1.625 114.110 115.700 0.058 0.000 3.760 609 S HA 0.426 4.895 4.470 -0.000 0.000 0.734 609 S C 0.682 175.267 174.600 -0.025 0.000 1.581 609 S CA 1.356 59.589 58.200 0.054 0.000 1.575 609 S CB -0.774 62.526 63.200 0.168 0.000 0.391 609 S HN 2.761 nan 8.310 nan 0.000 0.901 610 G N 0.939 109.603 108.800 -0.227 0.000 2.827 610 G HA2 0.592 4.552 3.960 -0.000 0.000 0.296 610 G HA3 0.592 4.552 3.960 -0.000 0.000 0.296 610 G C 0.192 174.448 174.900 -1.073 0.000 1.362 610 G CA 0.109 44.751 45.100 -0.765 0.000 0.809 610 G HN 1.016 nan 8.290 nan 0.000 0.522 611 K N -1.054 118.773 120.400 -0.956 0.000 2.296 611 K HA 0.148 4.468 4.320 -0.000 0.000 0.200 611 K C 0.111 176.466 176.600 -0.408 0.000 1.048 611 K CA 1.511 57.511 56.287 -0.479 0.000 0.966 611 K CB -0.065 32.325 32.500 -0.184 0.000 0.754 611 K HN 0.509 nan 8.250 nan 0.000 0.466 612 D N -1.027 119.136 120.400 -0.396 0.000 2.838 612 D HA -0.054 4.586 4.640 -0.000 0.000 0.334 612 D C 0.744 176.960 176.300 -0.139 0.000 1.315 612 D CA -0.731 52.982 54.000 -0.479 0.000 0.917 612 D CB -0.151 40.452 40.800 -0.329 0.000 1.435 612 D HN 0.003 nan 8.370 nan 0.000 0.517 613 Y N -0.714 119.540 120.300 -0.077 0.000 2.181 613 Y HA 0.222 4.772 4.550 -0.000 0.000 0.288 613 Y C 2.116 178.126 175.900 0.183 0.000 1.146 613 Y CA 1.577 59.745 58.100 0.113 0.000 1.164 613 Y CB -1.155 37.339 38.460 0.057 0.000 0.982 613 Y HN 0.391 nan 8.280 nan 0.000 0.515 614 A N 0.863 123.170 122.820 -0.855 0.000 2.168 614 A HA 0.142 4.462 4.320 -0.000 0.000 0.215 614 A C 2.306 179.804 177.584 -0.144 0.000 1.152 614 A CA 1.100 52.842 52.037 -0.492 0.000 0.716 614 A CB -1.349 17.222 19.000 -0.715 0.000 0.794 614 A HN 0.651 nan 8.150 nan 0.000 0.465 615 G N -0.989 107.716 108.800 -0.157 0.000 2.492 615 G HA2 0.094 4.054 3.960 -0.000 0.000 0.214 615 G HA3 0.094 4.054 3.960 -0.000 0.000 0.214 615 G C 1.348 176.213 174.900 -0.059 0.000 1.147 615 G CA 0.915 45.947 45.100 -0.112 0.000 0.809 615 G HN 0.243 nan 8.290 nan 0.000 0.533 616 V N 0.660 120.547 119.914 -0.045 0.000 2.343 616 V HA -0.109 4.011 4.120 -0.000 0.000 0.247 616 V C 2.439 178.452 176.094 -0.135 0.000 1.051 616 V CA 1.450 63.682 62.300 -0.113 0.000 1.036 616 V CB -0.648 31.062 31.823 -0.189 0.000 0.654 616 V HN 0.320 nan 8.190 nan 0.000 0.451 617 F N 0.667 120.611 119.950 -0.010 0.000 2.113 617 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 617 F C 2.719 178.533 175.800 0.024 0.000 1.103 617 F CA 1.772 59.784 58.000 0.020 0.000 1.248 617 F CB -0.827 38.190 39.000 0.027 0.000 0.999 617 F HN 0.008 nan 8.300 nan 0.000 0.475 618 S N -0.354 115.460 115.700 0.191 0.000 2.382 618 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 618 S C 1.364 176.007 174.600 0.073 0.000 1.027 618 S CA 1.513 59.777 58.200 0.107 0.000 0.991 618 S CB -0.367 62.867 63.200 0.057 0.000 0.823 618 S HN 0.323 nan 8.310 nan 0.000 0.469 619 D N 1.029 121.457 120.400 0.048 0.000 2.347 619 D HA 0.210 4.850 4.640 -0.000 0.000 0.215 619 D C 1.666 177.991 176.300 0.042 0.000 0.976 619 D CA 0.670 54.692 54.000 0.037 0.000 0.884 619 D CB -0.095 40.718 40.800 0.022 0.000 0.915 619 D HN 0.414 nan 8.370 nan 0.000 0.526 620 A N -0.521 122.332 122.820 0.054 0.000 2.035 620 A HA 0.512 4.832 4.320 -0.000 0.000 0.208 620 A C 1.565 179.210 177.584 0.101 0.000 1.206 620 A CA 0.875 52.953 52.037 0.069 0.000 0.773 620 A CB 0.355 19.382 19.000 0.045 0.000 0.878 620 A HN 0.191 nan 8.150 nan 0.000 0.469 621 G N -0.856 108.014 108.800 0.117 0.000 2.338 621 G HA2 0.022 3.982 3.960 -0.000 0.000 0.115 621 G HA3 0.022 3.982 3.960 -0.000 0.000 0.115 621 G C -0.506 174.486 174.900 0.153 0.000 1.053 621 G CA -0.093 45.079 45.100 0.120 0.000 0.733 621 G HN 0.428 nan 8.290 nan 0.000 0.482 622 L N 0.381 121.727 121.223 0.205 0.000 2.424 622 L HA 0.785 5.125 4.340 -0.000 0.000 0.258 622 L C 0.099 177.102 176.870 0.222 0.000 0.995 622 L CA -0.749 54.241 54.840 0.250 0.000 0.821 622 L CB 2.666 44.963 42.059 0.396 0.000 1.383 622 L HN 0.329 nan 8.230 nan 0.000 0.410 623 T N -1.033 113.598 114.554 0.127 0.000 2.893 623 T HA 0.431 4.781 4.350 -0.000 0.000 0.324 623 T C -0.818 173.842 174.700 -0.067 0.000 1.082 623 T CA -0.340 61.781 62.100 0.035 0.000 0.983 623 T CB 0.419 69.305 68.868 0.030 0.000 1.005 623 T HN 0.286 nan 8.240 nan 0.000 0.475 624 F N 3.412 123.105 119.950 -0.429 0.000 2.411 624 F HA 0.572 5.099 4.527 -0.000 0.000 0.355 624 F C -0.285 175.325 175.800 -0.316 0.000 1.117 624 F CA -0.052 57.602 58.000 -0.578 0.000 1.139 624 F CB 1.009 39.188 39.000 -1.369 0.000 1.120 624 F HN 0.602 nan 8.300 nan 0.000 0.493 625 T N 4.802 118.922 114.554 -0.722 0.000 3.011 625 T HA 0.383 4.733 4.350 -0.000 0.000 0.303 625 T C -0.671 173.705 174.700 -0.539 0.000 0.997 625 T CA -0.800 61.029 62.100 -0.453 0.000 1.007 625 T CB 1.230 69.966 68.868 -0.220 0.000 1.017 625 T HN 0.628 nan 8.240 nan 0.000 0.443 626 S N 1.152 116.621 115.700 -0.384 0.000 2.766 626 S HA 0.600 5.070 4.470 -0.000 0.000 0.307 626 S C 1.383 175.929 174.600 -0.090 0.000 1.121 626 S CA -0.244 57.810 58.200 -0.243 0.000 0.980 626 S CB 1.397 64.516 63.200 -0.136 0.000 1.159 626 S HN 0.635 nan 8.310 nan 0.000 0.546 627 S N -0.235 115.444 115.700 -0.034 0.000 2.528 627 S HA 0.066 4.536 4.470 -0.000 0.000 0.219 627 S C 1.387 175.990 174.600 0.005 0.000 0.985 627 S CA 0.378 58.580 58.200 0.002 0.000 0.914 627 S CB -0.630 62.596 63.200 0.044 0.000 0.776 627 S HN 0.550 nan 8.310 nan 0.000 0.526 628 S N 0.992 116.694 115.700 0.003 0.000 2.414 628 S HA 0.392 4.862 4.470 -0.000 0.000 0.227 628 S C 1.628 176.232 174.600 0.007 0.000 1.022 628 S CA 0.831 59.033 58.200 0.005 0.000 0.958 628 S CB -0.069 63.133 63.200 0.004 0.000 0.797 628 S HN 0.961 nan 8.310 nan 0.000 0.493 629 G N 0.283 109.090 108.800 0.012 0.000 2.613 629 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.199 629 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.199 629 G C -0.393 174.538 174.900 0.051 0.000 0.991 629 G CA -0.765 44.346 45.100 0.019 0.000 0.756 629 G HN 0.363 nan 8.290 nan 0.000 0.515 630 Q N 1.844 121.697 119.800 0.089 0.000 2.369 630 Q HA 0.523 4.862 4.340 -0.000 0.000 0.247 630 Q C 0.329 176.449 176.000 0.200 0.000 1.083 630 Q CA 0.179 56.109 55.803 0.213 0.000 0.905 630 Q CB 0.658 29.549 28.738 0.255 0.000 1.305 630 Q HN 0.789 nan 8.270 nan 0.000 0.465 631 Q N 0.031 119.904 119.800 0.121 0.000 2.387 631 Q HA 0.705 5.045 4.340 -0.000 0.000 0.273 631 Q C -0.483 175.515 176.000 -0.003 0.000 1.089 631 Q CA -1.039 54.782 55.803 0.030 0.000 0.824 631 Q CB 1.298 30.019 28.738 -0.029 0.000 1.367 631 Q HN 0.467 nan 8.270 nan 0.000 0.443 632 T N -1.126 113.406 114.554 -0.036 0.000 2.754 632 T HA 0.592 4.942 4.350 -0.000 0.000 0.286 632 T C 0.524 175.192 174.700 -0.054 0.000 0.997 632 T CA -0.335 61.728 62.100 -0.063 0.000 0.982 632 T CB 0.695 69.550 68.868 -0.021 0.000 1.027 632 T HN 0.783 nan 8.240 nan 0.000 0.529 633 A N 0.786 123.575 122.820 -0.053 0.000 2.425 633 A HA 0.313 4.633 4.320 -0.000 0.000 0.242 633 A C 0.539 178.117 177.584 -0.010 0.000 1.077 633 A CA -0.602 51.412 52.037 -0.038 0.000 0.781 633 A CB -0.190 18.787 19.000 -0.038 0.000 1.020 633 A HN 0.939 nan 8.150 nan 0.000 0.494 634 Q N 0.761 120.555 119.800 -0.011 0.000 2.332 634 Q HA 0.303 4.643 4.340 -0.000 0.000 0.263 634 Q C -0.191 175.831 176.000 0.036 0.000 0.979 634 Q CA -0.119 55.687 55.803 0.006 0.000 0.885 634 Q CB 0.448 29.177 28.738 -0.016 0.000 1.218 634 Q HN 0.667 nan 8.270 nan 0.000 0.405 635 R N 2.884 123.428 120.500 0.074 0.000 2.360 635 R HA 0.481 4.821 4.340 -0.000 0.000 0.318 635 R C -0.634 175.747 176.300 0.136 0.000 0.950 635 R CA 0.213 56.366 56.100 0.088 0.000 0.837 635 R CB 1.055 31.404 30.300 0.081 0.000 1.165 635 R HN 0.811 nan 8.270 nan 0.000 0.458 636 A N 4.103 126.989 122.820 0.110 0.000 1.938 636 A HA 0.151 4.471 4.320 -0.000 0.000 0.207 636 A C 0.116 177.758 177.584 0.098 0.000 1.292 636 A CA 0.190 52.310 52.037 0.138 0.000 0.700 636 A CB -0.038 19.024 19.000 0.104 0.000 0.947 636 A HN 0.726 nan 8.150 nan 0.000 0.476 637 E N 0.477 120.715 120.200 0.064 0.000 2.384 637 E HA 0.230 4.580 4.350 -0.000 0.000 0.266 637 E C 0.418 177.037 176.600 0.031 0.000 1.012 637 E CA -0.301 56.124 56.400 0.042 0.000 0.901 637 E CB 0.878 30.598 29.700 0.032 0.000 0.967 637 E HN 0.411 nan 8.360 nan 0.000 0.435 638 L N 1.939 123.171 121.223 0.016 0.000 1.988 638 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 638 L C 1.059 177.934 176.870 0.008 0.000 1.071 638 L CA 1.251 56.092 54.840 0.002 0.000 0.744 638 L CB -0.347 41.705 42.059 -0.011 0.000 0.893 638 L HN 0.501 nan 8.230 nan 0.000 0.433 639 Q N -0.947 118.858 119.800 0.009 0.000 2.414 639 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 639 Q C -0.276 175.735 176.000 0.017 0.000 1.058 639 Q CA -0.260 55.550 55.803 0.013 0.000 1.025 639 Q CB 0.495 29.238 28.738 0.008 0.000 1.196 639 Q HN 0.225 nan 8.270 nan 0.000 0.586 640 c N 1.844 120.454 118.600 0.017 0.000 2.539 640 c HA 0.405 4.975 4.570 -0.000 0.000 0.392 640 c C -1.721 172.379 174.090 0.017 0.000 1.269 640 c CA -1.097 55.243 56.329 0.017 0.000 2.250 640 c CB -0.563 41.954 42.510 0.011 0.000 2.584 640 c HN 0.673 nan 8.230 nan 0.000 0.589 641 P HA 0.159 nan 4.420 nan 0.000 0.269 641 P C -0.298 177.013 177.300 0.018 0.000 1.211 641 P CA 0.361 63.474 63.100 0.021 0.000 0.781 641 P CB 0.213 31.929 31.700 0.027 0.000 0.877 642 Q N 0.000 119.811 119.800 0.018 0.000 2.315 642 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 642 Q CA 0.000 55.813 55.803 0.016 0.000 1.022 642 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481