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 2w38_1_A DATA FIRST_RESID 7 DATA SEQUENCE IPHRLVGKAL YESYYDHFGQ MDILSDGSLY LIYRRATEHV GGSDGRVVFS DATA SEQUENCE KLEGGIWSAP TIVAQAGGQD FRDVAGGTMP SGRIVAASTV YETGEVKVYV DATA SEQUENCE SDDSGVTWVH KFTLARGGAD YNFAHGKSFQ VGARYVIPLY AATGVNYELK DATA SEQUENCE WLESSDGGET WGEGSTIYSG NTPYNETSYL PVGDGVILAV ARVGSGAGGA DATA SEQUENCE LRQFISLDDG GTWTDQGNVT AQNGDSTDIL VAPSLSYIYS EGGTPHVVLL DATA SEQUENCE YTNRTTHFCY YRTILLAKAV AGSSGWTERV PVYSAPAASG YTSQVVLGGR DATA SEQUENCE RILGNLFRET SSTTSGAYQF EVYLGGVPDF ESDWFSVSSN SLYTLSHGLQ DATA SEQUENCE RSPRRVVVEF ARSSSPSTWN IVMPSYFNDG GHKGSGAQVE VGSLNIRLGT DATA SEQUENCE GAAVWGTGYF GGIDNSATTR FATGYYRVRA WI 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 175.974 176.117 -0.238 0.000 1.063 7 I CA 0.000 61.213 61.300 -0.144 0.000 1.566 7 I CB 0.000 37.973 38.000 -0.046 0.000 1.214 8 P HA 0.328 nan 4.420 nan 0.000 0.274 8 P C -1.309 175.746 177.300 -0.409 0.000 1.246 8 P CA 0.608 63.592 63.100 -0.192 0.000 0.795 8 P CB 0.461 32.099 31.700 -0.103 0.000 1.006 9 H N 0.443 119.511 119.070 -0.004 0.000 2.895 9 H HA 0.495 5.047 4.556 -0.006 0.000 0.373 9 H C -0.438 174.887 175.328 -0.004 0.000 1.174 9 H CA -0.534 55.505 56.048 -0.016 0.000 1.144 9 H CB 2.740 32.489 29.762 -0.022 0.000 1.793 9 H HN 0.424 nan 8.280 nan 0.000 0.551 10 R N 3.045 123.625 120.500 0.132 0.000 2.539 10 R HA 0.267 4.603 4.340 -0.006 0.000 0.295 10 R C -0.619 175.722 176.300 0.068 0.000 1.138 10 R CA -0.289 55.864 56.100 0.088 0.000 0.936 10 R CB 0.488 30.822 30.300 0.057 0.000 1.182 10 R HN 0.560 nan 8.270 nan 0.000 0.459 11 L N 3.686 124.950 121.223 0.067 0.000 2.693 11 L HA 0.258 4.594 4.340 -0.006 0.000 0.235 11 L C 0.119 177.055 176.870 0.109 0.000 1.127 11 L CA -0.185 54.689 54.840 0.057 0.000 0.914 11 L CB 1.191 43.248 42.059 -0.003 0.000 1.193 11 L HN 0.338 nan 8.230 nan 0.000 0.502 12 V N 1.655 121.643 119.914 0.122 0.000 2.509 12 V HA 0.095 4.212 4.120 -0.006 0.000 0.297 12 V C 1.491 177.669 176.094 0.140 0.000 1.014 12 V CA 1.288 63.676 62.300 0.148 0.000 1.127 12 V CB 0.079 31.989 31.823 0.144 0.000 0.925 12 V HN 0.688 nan 8.190 nan 0.000 0.480 13 G N 3.858 112.766 108.800 0.179 0.000 2.184 13 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.264 13 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.264 13 G C 0.319 175.328 174.900 0.181 0.000 0.975 13 G CA 0.051 45.256 45.100 0.175 0.000 0.642 13 G HN 0.546 nan 8.290 nan 0.000 0.536 14 K N 0.553 121.060 120.400 0.178 0.000 2.185 14 K HA 0.763 5.079 4.320 -0.006 0.000 0.271 14 K C 0.277 176.968 176.600 0.152 0.000 1.013 14 K CA 0.532 56.915 56.287 0.161 0.000 0.943 14 K CB 1.639 34.227 32.500 0.146 0.000 0.998 14 K HN 1.028 nan 8.250 nan 0.000 0.468 15 A N 2.481 125.367 122.820 0.111 0.000 2.574 15 A HA 0.484 4.801 4.320 -0.006 0.000 0.297 15 A C -1.545 175.976 177.584 -0.105 0.000 1.062 15 A CA -0.756 51.160 52.037 -0.202 0.000 0.686 15 A CB 1.209 19.951 19.000 -0.430 0.000 1.285 15 A HN 0.638 nan 8.150 nan 0.000 0.403 16 L N 2.392 123.319 121.223 -0.494 0.000 2.277 16 L HA 0.696 5.033 4.340 -0.006 0.000 0.284 16 L C -1.732 174.955 176.870 -0.305 0.000 1.028 16 L CA -0.610 53.961 54.840 -0.448 0.000 0.835 16 L CB 0.653 42.132 42.059 -0.967 0.000 1.215 16 L HN 0.789 nan 8.230 nan 0.000 0.425 17 Y N 3.754 123.910 120.300 -0.240 0.000 2.362 17 Y HA 0.311 4.858 4.550 -0.005 0.000 0.326 17 Y C -0.399 175.488 175.900 -0.022 0.000 1.083 17 Y CA -0.623 57.384 58.100 -0.154 0.000 1.073 17 Y CB 1.641 40.011 38.460 -0.150 0.000 1.211 17 Y HN 0.632 nan 8.280 nan 0.000 0.433 18 E N 2.923 122.812 120.200 -0.519 0.000 2.968 18 E HA 0.191 4.537 4.350 -0.006 0.000 0.202 18 E C 0.101 176.364 176.600 -0.561 0.000 0.979 18 E CA 0.211 56.416 56.400 -0.325 0.000 1.192 18 E CB 0.646 30.393 29.700 0.078 0.000 1.059 18 E HN 0.725 nan 8.360 nan 0.000 0.470 19 S N -0.078 114.938 115.700 -1.139 0.000 3.445 19 S HA -0.230 4.236 4.470 -0.006 0.000 0.319 19 S C 0.057 174.389 174.600 -0.447 0.000 1.209 19 S CA 0.882 58.659 58.200 -0.705 0.000 0.934 19 S CB -1.514 61.453 63.200 -0.388 0.000 0.999 19 S HN 0.415 nan 8.310 nan 0.000 0.582 20 Y N -0.851 119.304 120.300 -0.242 0.000 2.356 20 Y HA 0.488 5.033 4.550 -0.009 0.000 0.341 20 Y C 0.586 176.504 175.900 0.031 0.000 1.343 20 Y CA -0.499 57.568 58.100 -0.055 0.000 1.570 20 Y CB 0.306 38.749 38.460 -0.027 0.000 1.558 20 Y HN 0.250 nan 8.280 nan 0.000 0.557 21 Y N 1.879 122.302 120.300 0.206 0.000 2.700 21 Y HA 0.247 4.794 4.550 -0.006 0.000 0.333 21 Y C -1.016 174.949 175.900 0.109 0.000 1.036 21 Y CA -0.847 57.341 58.100 0.146 0.000 1.287 21 Y CB -0.291 38.257 38.460 0.148 0.000 1.132 21 Y HN 0.433 nan 8.280 nan 0.000 0.510 22 D N 4.450 124.789 120.400 -0.101 0.000 2.233 22 D HA 0.291 4.927 4.640 -0.006 0.000 0.240 22 D C -0.448 175.586 176.300 -0.443 0.000 1.074 22 D CA 0.277 54.225 54.000 -0.087 0.000 0.838 22 D CB 0.964 41.718 40.800 -0.077 0.000 1.124 22 D HN 0.614 nan 8.370 nan 0.000 0.475 23 H N 0.919 119.490 119.070 -0.832 0.000 2.917 23 H HA 0.135 4.687 4.556 -0.006 0.000 0.299 23 H C -0.321 174.092 175.328 -1.525 0.000 1.418 23 H CA -0.778 54.262 56.048 -1.680 0.000 1.138 23 H CB 0.542 29.212 29.762 -1.820 0.000 1.830 23 H HN 0.218 nan 8.280 nan 0.000 0.514 24 F N -1.719 117.830 119.950 -0.669 0.000 3.074 24 F HA -0.100 4.423 4.527 -0.007 0.000 0.289 24 F C 0.818 176.469 175.800 -0.248 0.000 0.863 24 F CA 1.120 58.813 58.000 -0.510 0.000 1.121 24 F CB -1.875 36.891 39.000 -0.390 0.000 1.169 24 F HN 0.575 nan 8.300 nan 0.000 0.570 25 G N -1.115 107.620 108.800 -0.108 0.000 3.175 25 G HA2 0.756 4.712 3.960 -0.006 0.000 0.255 25 G HA3 0.756 4.712 3.960 -0.006 0.000 0.255 25 G C -0.878 174.243 174.900 0.369 0.000 1.352 25 G CA -0.591 44.630 45.100 0.202 0.000 1.037 25 G HN 0.003 nan 8.290 nan 0.000 0.556 26 Q N -0.225 119.746 119.800 0.285 0.000 2.347 26 Q HA 0.413 4.749 4.340 -0.006 0.000 0.271 26 Q C -0.944 175.097 176.000 0.069 0.000 1.064 26 Q CA -0.547 55.366 55.803 0.183 0.000 0.800 26 Q CB 2.571 31.407 28.738 0.164 0.000 1.304 26 Q HN 0.648 nan 8.270 nan 0.000 0.438 27 M N 1.881 121.460 119.600 -0.035 0.000 2.264 27 M HA 0.402 4.878 4.480 -0.006 0.000 0.352 27 M C -1.041 175.110 176.300 -0.249 0.000 1.173 27 M CA 0.069 55.261 55.300 -0.180 0.000 1.075 27 M CB 1.036 33.539 32.600 -0.161 0.000 1.621 27 M HN 0.545 nan 8.290 nan 0.000 0.457 28 D N 2.941 123.007 120.400 -0.558 0.000 2.895 28 D HA 0.550 5.187 4.640 -0.006 0.000 0.320 28 D C -1.802 174.273 176.300 -0.375 0.000 1.249 28 D CA -0.369 53.384 54.000 -0.412 0.000 0.997 28 D CB 1.959 42.615 40.800 -0.241 0.000 1.430 28 D HN 0.696 nan 8.370 nan 0.000 0.558 29 I N 1.390 121.970 120.570 0.015 0.000 2.608 29 I HA 0.377 4.543 4.170 -0.006 0.000 0.295 29 I C -0.753 175.599 176.117 0.392 0.000 1.049 29 I CA -0.660 60.749 61.300 0.181 0.000 1.063 29 I CB 1.463 39.513 38.000 0.084 0.000 1.248 29 I HN 0.300 nan 8.210 nan 0.000 0.424 30 L N 5.145 126.607 121.223 0.397 0.000 2.468 30 L HA 0.345 4.681 4.340 -0.006 0.000 0.254 30 L C 1.541 178.512 176.870 0.168 0.000 1.171 30 L CA -0.328 54.675 54.840 0.272 0.000 0.809 30 L CB 1.290 43.478 42.059 0.215 0.000 1.155 30 L HN 0.673 nan 8.230 nan 0.000 0.473 31 S N 0.320 116.083 115.700 0.103 0.000 2.383 31 S HA -0.183 4.283 4.470 -0.006 0.000 0.229 31 S C 1.127 175.772 174.600 0.075 0.000 1.030 31 S CA 1.646 59.890 58.200 0.073 0.000 1.002 31 S CB -0.365 62.855 63.200 0.033 0.000 0.829 31 S HN 0.888 nan 8.310 nan 0.000 0.467 32 D N 0.326 120.772 120.400 0.075 0.000 2.324 32 D HA 0.186 4.822 4.640 -0.006 0.000 0.235 32 D C 1.192 177.547 176.300 0.092 0.000 1.095 32 D CA 0.715 54.755 54.000 0.067 0.000 0.871 32 D CB -0.670 40.161 40.800 0.051 0.000 0.906 32 D HN 0.421 nan 8.370 nan 0.000 0.522 33 G N -0.568 108.312 108.800 0.133 0.000 2.176 33 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.253 33 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.253 33 G C 0.327 175.395 174.900 0.279 0.000 0.979 33 G CA 0.231 45.446 45.100 0.191 0.000 0.641 33 G HN 0.429 nan 8.290 nan 0.000 0.530 34 S N 0.750 116.578 115.700 0.213 0.000 2.528 34 S HA 0.553 5.019 4.470 -0.006 0.000 0.277 34 S C 0.802 175.530 174.600 0.213 0.000 1.297 34 S CA -0.349 57.979 58.200 0.214 0.000 1.052 34 S CB 0.828 64.131 63.200 0.171 0.000 0.917 34 S HN 0.424 nan 8.310 nan 0.000 0.492 35 L N 4.277 125.549 121.223 0.083 0.000 2.417 35 L HA 0.447 4.783 4.340 -0.006 0.000 0.268 35 L C -0.225 176.770 176.870 0.209 0.000 1.158 35 L CA -0.425 54.424 54.840 0.014 0.000 0.819 35 L CB 0.270 42.209 42.059 -0.200 0.000 1.112 35 L HN 0.753 nan 8.230 nan 0.000 0.458 36 Y N 0.836 121.246 120.300 0.182 0.000 2.644 36 Y HA 0.793 5.339 4.550 -0.006 0.000 0.338 36 Y C -1.535 174.476 175.900 0.184 0.000 1.119 36 Y CA -1.445 56.774 58.100 0.197 0.000 1.060 36 Y CB 1.306 39.808 38.460 0.069 0.000 1.294 36 Y HN 0.256 nan 8.280 nan 0.000 0.472 37 L N 3.458 124.771 121.223 0.150 0.000 2.386 37 L HA 0.652 4.988 4.340 -0.006 0.000 0.271 37 L C -0.881 176.167 176.870 0.297 0.000 0.993 37 L CA -1.127 53.741 54.840 0.046 0.000 0.819 37 L CB 2.284 44.175 42.059 -0.281 0.000 1.294 37 L HN 0.760 nan 8.230 nan 0.000 0.414 38 I N 1.011 121.796 120.570 0.360 0.000 2.436 38 I HA 0.725 4.891 4.170 -0.006 0.000 0.289 38 I C -1.093 175.183 176.117 0.265 0.000 1.010 38 I CA -0.611 60.858 61.300 0.282 0.000 1.098 38 I CB 1.670 39.860 38.000 0.318 0.000 1.266 38 I HN 0.605 nan 8.210 nan 0.000 0.434 39 Y N 2.446 122.721 120.300 -0.042 0.000 2.750 39 Y HA 0.543 5.090 4.550 -0.005 0.000 0.335 39 Y C -1.267 174.552 175.900 -0.133 0.000 1.252 39 Y CA -1.439 56.606 58.100 -0.092 0.000 1.064 39 Y CB 1.031 39.430 38.460 -0.101 0.000 1.321 39 Y HN 0.732 nan 8.280 nan 0.000 0.451 40 R N 2.657 123.166 120.500 0.014 0.000 2.202 40 R HA 0.456 4.792 4.340 -0.006 0.000 0.334 40 R C -0.861 175.467 176.300 0.047 0.000 1.036 40 R CA -0.626 55.472 56.100 -0.002 0.000 0.878 40 R CB 0.823 31.221 30.300 0.164 0.000 1.067 40 R HN 0.937 nan 8.270 nan 0.000 0.457 41 R N 3.276 123.721 120.500 -0.092 0.000 2.346 41 R HA 0.635 4.971 4.340 -0.006 0.000 0.311 41 R C -1.557 174.751 176.300 0.014 0.000 0.983 41 R CA -0.234 55.844 56.100 -0.037 0.000 0.880 41 R CB 1.633 31.785 30.300 -0.246 0.000 1.100 41 R HN 0.745 nan 8.270 nan 0.000 0.453 42 A N 1.458 124.360 122.820 0.138 0.000 2.529 42 A HA 0.399 4.715 4.320 -0.006 0.000 0.296 42 A C -0.297 177.448 177.584 0.268 0.000 1.205 42 A CA -0.292 51.846 52.037 0.168 0.000 0.671 42 A CB 1.446 20.548 19.000 0.169 0.000 1.301 42 A HN 0.745 nan 8.150 nan 0.000 0.450 43 T N -2.295 112.367 114.554 0.180 0.000 3.182 43 T HA 0.523 4.869 4.350 -0.006 0.000 0.277 43 T C -0.045 174.689 174.700 0.056 0.000 1.013 43 T CA 0.114 62.308 62.100 0.156 0.000 0.900 43 T CB 0.058 68.989 68.868 0.106 0.000 1.098 43 T HN 0.582 nan 8.240 nan 0.000 0.543 44 E N 0.664 120.857 120.200 -0.011 0.000 2.429 44 E HA 0.228 4.574 4.350 -0.006 0.000 0.280 44 E C -0.517 175.839 176.600 -0.405 0.000 1.068 44 E CA -0.347 55.905 56.400 -0.246 0.000 0.837 44 E CB 1.496 31.034 29.700 -0.270 0.000 1.357 44 E HN 0.495 nan 8.360 nan 0.000 0.455 45 H N -1.830 116.889 119.070 -0.586 0.000 2.639 45 H HA 0.256 4.810 4.556 -0.004 0.000 0.267 45 H C 1.058 176.254 175.328 -0.221 0.000 0.958 45 H CA 0.455 56.218 56.048 -0.475 0.000 1.221 45 H CB -0.330 29.063 29.762 -0.616 0.000 1.446 45 H HN 0.095 nan 8.280 nan 0.000 0.512 46 V N 0.402 119.930 119.914 -0.643 0.000 2.901 46 V HA 0.303 4.419 4.120 -0.006 0.000 0.307 46 V C 1.120 176.994 176.094 -0.366 0.000 1.084 46 V CA -0.192 61.877 62.300 -0.385 0.000 1.184 46 V CB 0.256 31.846 31.823 -0.389 0.000 0.941 46 V HN 0.516 nan 8.190 nan 0.000 0.493 47 G N 2.721 111.247 108.800 -0.457 0.000 2.414 47 G HA2 0.489 4.445 3.960 -0.006 0.000 0.236 47 G HA3 0.489 4.445 3.960 -0.006 0.000 0.236 47 G C 1.082 175.362 174.900 -1.033 0.000 1.293 47 G CA 0.068 44.505 45.100 -1.104 0.000 0.869 47 G HN 2.537 nan 8.290 nan 0.000 0.556 48 G N 0.315 108.480 108.800 -1.057 0.000 2.143 48 G HA2 -0.149 3.807 3.960 -0.006 0.000 0.248 48 G HA3 -0.149 3.807 3.960 -0.006 0.000 0.248 48 G C 0.907 175.666 174.900 -0.235 0.000 0.991 48 G CA 1.207 46.074 45.100 -0.389 0.000 0.689 48 G HN 1.726 nan 8.290 nan 0.000 0.522 49 S N -0.311 115.238 115.700 -0.252 0.000 2.301 49 S HA 0.538 5.004 4.470 -0.006 0.000 0.245 49 S C 0.781 175.324 174.600 -0.095 0.000 1.191 49 S CA 0.572 58.676 58.200 -0.159 0.000 1.032 49 S CB 0.589 63.682 63.200 -0.177 0.000 1.104 49 S HN 0.575 nan 8.310 nan 0.000 0.453 50 D N 0.145 120.514 120.400 -0.052 0.000 2.738 50 D HA 0.270 4.907 4.640 -0.006 0.000 0.246 50 D C 0.574 176.886 176.300 0.021 0.000 1.270 50 D CA -0.425 53.568 54.000 -0.013 0.000 0.833 50 D CB -0.706 40.096 40.800 0.003 0.000 1.040 50 D HN 0.622 nan 8.370 nan 0.000 0.487 51 G N 1.349 110.170 108.800 0.034 0.000 2.313 51 G HA2 0.269 4.226 3.960 -0.006 0.000 0.250 51 G HA3 0.269 4.226 3.960 -0.006 0.000 0.250 51 G C 0.271 175.258 174.900 0.144 0.000 1.281 51 G CA -0.655 44.499 45.100 0.090 0.000 0.917 51 G HN 0.400 nan 8.290 nan 0.000 0.501 52 R N 1.510 122.036 120.500 0.042 0.000 2.686 52 R HA 0.542 4.879 4.340 -0.006 0.000 0.286 52 R C -1.271 174.870 176.300 -0.266 0.000 0.969 52 R CA -0.851 55.218 56.100 -0.051 0.000 0.898 52 R CB 1.655 31.886 30.300 -0.116 0.000 1.183 52 R HN 0.183 nan 8.270 nan 0.000 0.456 53 V N 3.086 122.682 119.914 -0.530 0.000 2.488 53 V HA 0.276 4.393 4.120 -0.006 0.000 0.277 53 V C 0.575 176.290 176.094 -0.631 0.000 1.046 53 V CA -0.387 61.550 62.300 -0.605 0.000 0.986 53 V CB 0.892 32.225 31.823 -0.816 0.000 0.989 53 V HN 0.650 nan 8.190 nan 0.000 0.475 54 V N 2.903 122.426 119.914 -0.652 0.000 3.040 54 V HA 0.784 4.900 4.120 -0.006 0.000 0.312 54 V C -1.137 174.648 176.094 -0.516 0.000 1.115 54 V CA -0.993 60.932 62.300 -0.625 0.000 0.998 54 V CB 2.143 33.564 31.823 -0.670 0.000 1.042 54 V HN 0.645 nan 8.190 nan 0.000 0.433 55 F N 1.920 121.634 119.950 -0.393 0.000 2.529 55 F HA 0.833 5.355 4.527 -0.007 0.000 0.320 55 F C -0.242 175.627 175.800 0.114 0.000 1.118 55 F CA -0.110 57.855 58.000 -0.059 0.000 0.915 55 F CB 2.018 41.077 39.000 0.100 0.000 1.161 55 F HN 0.863 nan 8.300 nan 0.000 0.445 56 S N 5.953 121.399 115.700 -0.423 0.000 2.538 56 S HA 0.455 4.921 4.470 -0.006 0.000 0.288 56 S C -1.506 172.938 174.600 -0.261 0.000 1.108 56 S CA -0.781 57.324 58.200 -0.158 0.000 0.971 56 S CB 1.260 64.571 63.200 0.186 0.000 1.041 56 S HN 0.815 nan 8.310 nan 0.000 0.483 57 K N 3.372 123.764 120.400 -0.013 0.000 2.182 57 K HA 0.474 4.790 4.320 -0.006 0.000 0.262 57 K C -1.277 175.341 176.600 0.031 0.000 0.957 57 K CA -0.821 55.524 56.287 0.097 0.000 0.842 57 K CB 1.160 33.788 32.500 0.213 0.000 1.099 57 K HN 0.566 nan 8.250 nan 0.000 0.438 58 L N 4.265 125.294 121.223 -0.323 0.000 2.283 58 L HA 0.237 4.573 4.340 -0.006 0.000 0.287 58 L C -1.094 175.585 176.870 -0.320 0.000 1.073 58 L CA 0.585 54.960 54.840 -0.775 0.000 0.822 58 L CB 0.387 41.616 42.059 -1.383 0.000 1.186 58 L HN 0.588 nan 8.230 nan 0.000 0.436 59 E N 3.797 123.859 120.200 -0.230 0.000 2.260 59 E HA 0.514 4.860 4.350 -0.006 0.000 0.266 59 E C 0.456 176.996 176.600 -0.100 0.000 0.887 59 E CA -0.318 56.022 56.400 -0.101 0.000 0.777 59 E CB 1.558 31.241 29.700 -0.029 0.000 1.205 59 E HN 0.789 nan 8.360 nan 0.000 0.414 60 G N 2.272 111.024 108.800 -0.080 0.000 2.258 60 G HA2 -0.282 3.675 3.960 -0.006 0.000 0.274 60 G HA3 -0.282 3.675 3.960 -0.006 0.000 0.274 60 G C 0.935 175.783 174.900 -0.086 0.000 1.021 60 G CA 0.666 45.727 45.100 -0.065 0.000 0.798 60 G HN 1.310 nan 8.290 nan 0.000 0.507 61 G N -1.761 106.954 108.800 -0.142 0.000 2.159 61 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.256 61 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.256 61 G C 0.242 175.027 174.900 -0.191 0.000 0.977 61 G CA 0.537 45.541 45.100 -0.160 0.000 0.652 61 G HN 1.398 nan 8.290 nan 0.000 0.531 62 I N -0.214 120.237 120.570 -0.198 0.000 2.418 62 I HA 0.407 4.573 4.170 -0.006 0.000 0.287 62 I C 0.079 176.103 176.117 -0.155 0.000 1.008 62 I CA -1.169 60.058 61.300 -0.122 0.000 1.104 62 I CB 1.048 39.033 38.000 -0.025 0.000 1.264 62 I HN 0.123 nan 8.210 nan 0.000 0.438 63 W N 5.616 126.906 121.300 -0.017 0.000 2.308 63 W HA 0.181 4.837 4.660 -0.005 0.000 0.324 63 W C 1.099 177.619 176.519 0.002 0.000 1.387 63 W CA -0.090 57.240 57.345 -0.025 0.000 1.250 63 W CB 0.745 30.169 29.460 -0.059 0.000 1.257 63 W HN 0.494 nan 8.180 nan 0.000 0.554 64 S N 3.027 118.881 115.700 0.256 0.000 2.579 64 S HA 0.508 4.974 4.470 -0.006 0.000 0.275 64 S C 0.314 175.020 174.600 0.176 0.000 1.345 64 S CA -0.784 57.523 58.200 0.179 0.000 1.031 64 S CB 0.983 64.285 63.200 0.170 0.000 0.892 64 S HN 0.715 nan 8.310 nan 0.000 0.529 65 A N 3.475 126.374 122.820 0.132 0.000 2.561 65 A HA 0.401 4.717 4.320 -0.006 0.000 0.251 65 A C -2.061 175.589 177.584 0.110 0.000 1.062 65 A CA -0.901 51.200 52.037 0.105 0.000 0.761 65 A CB -1.119 17.930 19.000 0.082 0.000 0.986 65 A HN 0.739 nan 8.150 nan 0.000 0.510 66 P HA 0.196 nan 4.420 nan 0.000 0.269 66 P C -0.047 177.285 177.300 0.055 0.000 1.209 66 P CA 0.197 63.333 63.100 0.060 0.000 0.776 66 P CB 0.572 32.238 31.700 -0.056 0.000 0.876 67 T N 3.581 118.219 114.554 0.141 0.000 2.856 67 T HA 0.298 4.645 4.350 -0.006 0.000 0.292 67 T C 0.514 175.163 174.700 -0.085 0.000 0.980 67 T CA -0.333 61.825 62.100 0.096 0.000 1.091 67 T CB 0.197 69.217 68.868 0.254 0.000 0.936 67 T HN 0.146 nan 8.240 nan 0.000 0.503 68 I N 4.239 124.728 120.570 -0.135 0.000 2.452 68 I HA 0.065 4.231 4.170 -0.006 0.000 0.287 68 I C 1.286 177.164 176.117 -0.398 0.000 1.079 68 I CA 0.152 61.295 61.300 -0.262 0.000 1.387 68 I CB 0.791 38.679 38.000 -0.188 0.000 1.404 68 I HN 0.486 nan 8.210 nan 0.000 0.522 69 V N 5.856 125.369 119.914 -0.667 0.000 2.575 69 V HA 0.279 4.395 4.120 -0.006 0.000 0.242 69 V C 0.741 176.288 176.094 -0.911 0.000 1.045 69 V CA 0.940 62.634 62.300 -1.010 0.000 1.065 69 V CB 0.245 31.232 31.823 -1.394 0.000 0.717 69 V HN 0.871 nan 8.190 nan 0.000 0.467 70 A N 0.014 122.301 122.820 -0.889 0.000 2.512 70 A HA 0.714 5.031 4.320 -0.006 0.000 0.294 70 A C -1.025 176.248 177.584 -0.519 0.000 1.054 70 A CA -0.336 51.176 52.037 -0.874 0.000 0.756 70 A CB 1.612 19.633 19.000 -1.632 0.000 1.293 70 A HN 0.213 nan 8.150 nan 0.000 0.395 71 Q N 1.116 120.858 119.800 -0.097 0.000 2.340 71 Q HA 0.738 5.074 4.340 -0.006 0.000 0.276 71 Q C -1.557 174.537 176.000 0.156 0.000 1.048 71 Q CA -0.450 55.416 55.803 0.105 0.000 0.832 71 Q CB 2.302 31.024 28.738 -0.027 0.000 1.373 71 Q HN 1.924 nan 8.270 nan 0.000 0.409 72 A N 2.037 124.943 122.820 0.142 0.000 2.429 72 A HA 0.736 5.052 4.320 -0.006 0.000 0.289 72 A C -0.416 177.159 177.584 -0.015 0.000 1.043 72 A CA -0.045 52.013 52.037 0.034 0.000 0.722 72 A CB 1.408 20.407 19.000 -0.001 0.000 1.243 72 A HN 0.758 nan 8.150 nan 0.000 0.415 73 G N 0.553 109.344 108.800 -0.014 0.000 2.467 73 G HA2 0.486 4.443 3.960 -0.006 0.000 0.257 73 G HA3 0.486 4.443 3.960 -0.006 0.000 0.257 73 G C 0.474 175.352 174.900 -0.037 0.000 1.227 73 G CA 0.160 45.246 45.100 -0.024 0.000 0.835 73 G HN 1.431 nan 8.290 nan 0.000 0.556 74 G N 0.693 109.468 108.800 -0.043 0.000 3.444 74 G HA2 0.486 4.442 3.960 -0.006 0.000 0.315 74 G HA3 0.486 4.442 3.960 -0.006 0.000 0.315 74 G C 0.023 174.885 174.900 -0.063 0.000 1.079 74 G CA -0.292 44.782 45.100 -0.043 0.000 1.500 74 G HN 0.539 nan 8.290 nan 0.000 0.518 75 Q N 0.174 119.918 119.800 -0.094 0.000 2.359 75 Q HA 0.390 4.726 4.340 -0.006 0.000 0.275 75 Q C -1.473 174.423 176.000 -0.173 0.000 1.082 75 Q CA -0.867 54.843 55.803 -0.154 0.000 0.849 75 Q CB 2.601 31.184 28.738 -0.258 0.000 1.377 75 Q HN 0.331 nan 8.270 nan 0.000 0.452 76 D N 0.924 121.212 120.400 -0.187 0.000 2.446 76 D HA 0.272 4.908 4.640 -0.006 0.000 0.251 76 D C -1.363 174.852 176.300 -0.141 0.000 1.137 76 D CA -0.439 53.488 54.000 -0.122 0.000 0.890 76 D CB 0.282 41.016 40.800 -0.110 0.000 1.071 76 D HN 0.184 nan 8.370 nan 0.000 0.528 77 F N 2.948 122.872 119.950 -0.043 0.000 2.529 77 F HA 0.249 4.772 4.527 -0.006 0.000 0.365 77 F C 1.746 177.513 175.800 -0.056 0.000 1.102 77 F CA 0.007 57.969 58.000 -0.064 0.000 1.271 77 F CB 0.619 39.567 39.000 -0.088 0.000 1.120 77 F HN 0.194 nan 8.300 nan 0.000 0.579 78 R N 0.898 121.445 120.500 0.079 0.000 2.138 78 R HA 0.238 4.575 4.340 -0.006 0.000 0.129 78 R C -0.509 175.812 176.300 0.035 0.000 1.410 78 R CA -0.648 55.453 56.100 0.003 0.000 1.523 78 R CB -0.444 29.778 30.300 -0.130 0.000 1.468 78 R HN 0.414 nan 8.270 nan 0.000 0.550 79 D N 0.856 121.259 120.400 0.005 0.000 2.400 79 D HA 0.105 4.742 4.640 -0.006 0.000 0.238 79 D C -0.446 175.907 176.300 0.089 0.000 1.157 79 D CA 0.206 54.294 54.000 0.147 0.000 0.889 79 D CB 0.585 41.616 40.800 0.385 0.000 1.199 79 D HN -0.062 nan 8.370 nan 0.000 0.436 80 V N 1.554 121.532 119.914 0.106 0.000 2.328 80 V HA 0.574 4.690 4.120 -0.006 0.000 0.278 80 V C 0.428 176.579 176.094 0.096 0.000 1.021 80 V CA -0.734 61.605 62.300 0.064 0.000 0.838 80 V CB 0.985 32.822 31.823 0.023 0.000 0.999 80 V HN 0.670 nan 8.190 nan 0.000 0.447 81 A N 3.863 126.738 122.820 0.093 0.000 2.269 81 A HA 1.042 5.358 4.320 -0.006 0.000 0.319 81 A C 0.575 178.245 177.584 0.144 0.000 1.110 81 A CA 0.267 52.371 52.037 0.112 0.000 0.847 81 A CB 1.388 20.461 19.000 0.121 0.000 1.161 81 A HN 1.709 nan 8.150 nan 0.000 0.497 82 G N -1.406 107.506 108.800 0.186 0.000 2.278 82 G HA2 0.650 4.607 3.960 -0.006 0.000 0.265 82 G HA3 0.650 4.607 3.960 -0.006 0.000 0.265 82 G C 0.091 175.183 174.900 0.320 0.000 1.329 82 G CA 0.395 45.653 45.100 0.263 0.000 1.017 82 G HN 2.777 nan 8.290 nan 0.000 0.472 83 G N -2.604 106.446 108.800 0.416 0.000 2.350 83 G HA2 0.560 4.517 3.960 -0.006 0.000 0.282 83 G HA3 0.560 4.517 3.960 -0.006 0.000 0.282 83 G C -0.747 174.438 174.900 0.476 0.000 1.314 83 G CA 0.597 45.961 45.100 0.439 0.000 0.915 83 G HN 1.565 nan 8.290 nan 0.000 0.499 84 T N 1.977 116.784 114.554 0.422 0.000 2.767 84 T HA 0.574 4.921 4.350 -0.006 0.000 0.288 84 T C 0.840 175.622 174.700 0.136 0.000 0.963 84 T CA -0.106 62.169 62.100 0.290 0.000 1.019 84 T CB 0.880 69.939 68.868 0.318 0.000 0.923 84 T HN 0.513 nan 8.240 nan 0.000 0.468 85 M N 3.873 123.392 119.600 -0.136 0.000 2.202 85 M HA 0.241 4.717 4.480 -0.006 0.000 0.316 85 M C -1.294 174.942 176.300 -0.107 0.000 1.138 85 M CA -2.166 52.901 55.300 -0.389 0.000 1.151 85 M CB 0.326 32.534 32.600 -0.652 0.000 1.422 85 M HN 0.275 nan 8.290 nan 0.000 0.471 86 P HA -0.161 nan 4.420 nan 0.000 0.217 86 P C 1.131 178.418 177.300 -0.023 0.000 1.148 86 P CA 1.528 64.629 63.100 0.002 0.000 0.828 86 P CB -0.129 31.580 31.700 0.016 0.000 0.783 87 S N -2.117 113.543 115.700 -0.066 0.000 2.515 87 S HA 0.112 4.579 4.470 -0.006 0.000 0.231 87 S C 1.811 176.378 174.600 -0.055 0.000 0.987 87 S CA 0.917 59.079 58.200 -0.063 0.000 0.936 87 S CB -1.257 61.889 63.200 -0.089 0.000 0.766 87 S HN 0.323 nan 8.310 nan 0.000 0.528 88 G N 1.399 110.170 108.800 -0.049 0.000 2.217 88 G HA2 -0.314 3.643 3.960 -0.006 0.000 0.246 88 G HA3 -0.314 3.643 3.960 -0.006 0.000 0.246 88 G C 0.173 175.024 174.900 -0.082 0.000 0.990 88 G CA 0.034 45.111 45.100 -0.038 0.000 0.627 88 G HN 0.790 nan 8.290 nan 0.000 0.522 89 R N 0.864 121.297 120.500 -0.113 0.000 2.570 89 R HA 0.448 4.785 4.340 -0.006 0.000 0.277 89 R C 0.374 176.603 176.300 -0.118 0.000 1.039 89 R CA -0.108 55.905 56.100 -0.145 0.000 1.065 89 R CB 0.031 30.249 30.300 -0.136 0.000 0.964 89 R HN 0.332 nan 8.270 nan 0.000 0.428 90 I N 4.320 124.797 120.570 -0.156 0.000 2.440 90 I HA 0.226 4.393 4.170 -0.006 0.000 0.294 90 I C -0.339 175.855 176.117 0.129 0.000 0.995 90 I CA -0.940 60.354 61.300 -0.011 0.000 1.306 90 I CB 1.848 39.781 38.000 -0.113 0.000 1.407 90 I HN 0.309 nan 8.210 nan 0.000 0.501 91 V N 4.830 124.917 119.914 0.289 0.000 2.495 91 V HA 0.758 4.875 4.120 -0.006 0.000 0.298 91 V C -0.038 176.291 176.094 0.391 0.000 1.031 91 V CA -0.504 62.001 62.300 0.342 0.000 0.871 91 V CB 1.557 33.588 31.823 0.345 0.000 0.988 91 V HN 0.859 nan 8.190 nan 0.000 0.432 92 A N 3.730 126.765 122.820 0.358 0.000 2.374 92 A HA 0.980 5.296 4.320 -0.006 0.000 0.305 92 A C -0.431 177.237 177.584 0.140 0.000 1.053 92 A CA -0.265 51.893 52.037 0.201 0.000 0.726 92 A CB 1.678 20.679 19.000 0.000 0.000 1.229 92 A HN 1.433 nan 8.150 nan 0.000 0.431 93 A N 1.125 123.987 122.820 0.071 0.000 2.449 93 A HA 0.923 5.239 4.320 -0.006 0.000 0.302 93 A C -0.420 177.187 177.584 0.038 0.000 1.048 93 A CA -0.209 51.847 52.037 0.032 0.000 0.708 93 A CB 1.661 20.622 19.000 -0.066 0.000 1.274 93 A HN 1.874 nan 8.150 nan 0.000 0.410 94 S N 0.226 115.969 115.700 0.072 0.000 2.533 94 S HA 0.650 5.116 4.470 -0.006 0.000 0.271 94 S C -0.659 173.996 174.600 0.090 0.000 1.143 94 S CA -0.276 57.964 58.200 0.068 0.000 0.891 94 S CB 1.498 64.755 63.200 0.094 0.000 1.105 94 S HN 0.841 nan 8.310 nan 0.000 0.468 95 T N 3.272 117.735 114.554 -0.152 0.000 2.832 95 T HA 0.351 4.698 4.350 -0.006 0.000 0.296 95 T C -0.168 174.425 174.700 -0.178 0.000 0.968 95 T CA -0.241 61.711 62.100 -0.247 0.000 1.107 95 T CB 0.761 69.247 68.868 -0.638 0.000 0.916 95 T HN 0.490 nan 8.240 nan 0.000 0.517 96 V N 5.387 125.189 119.914 -0.185 0.000 2.427 96 V HA 0.047 4.163 4.120 -0.006 0.000 0.268 96 V C 1.038 177.021 176.094 -0.186 0.000 1.046 96 V CA -0.308 61.806 62.300 -0.310 0.000 0.970 96 V CB -0.110 31.494 31.823 -0.365 0.000 1.001 96 V HN 0.910 nan 8.190 nan 0.000 0.476 97 Y N 4.282 124.434 120.300 -0.246 0.000 2.193 97 Y HA -0.263 4.283 4.550 -0.008 0.000 0.285 97 Y C 2.083 177.907 175.900 -0.126 0.000 1.166 97 Y CA 2.350 60.352 58.100 -0.164 0.000 1.181 97 Y CB 0.231 38.615 38.460 -0.128 0.000 0.976 97 Y HN 0.701 nan 8.280 nan 0.000 0.520 98 E N -1.086 119.071 120.200 -0.072 0.000 2.152 98 E HA -0.093 4.253 4.350 -0.006 0.000 0.192 98 E C 2.119 178.624 176.600 -0.158 0.000 0.983 98 E CA 1.791 58.129 56.400 -0.104 0.000 0.818 98 E CB -0.169 29.514 29.700 -0.029 0.000 0.758 98 E HN 0.621 nan 8.360 nan 0.000 0.467 99 T N -4.821 109.644 114.554 -0.149 0.000 2.985 99 T HA 0.303 4.650 4.350 -0.006 0.000 0.254 99 T C 1.630 176.278 174.700 -0.088 0.000 1.021 99 T CA 0.297 62.331 62.100 -0.111 0.000 0.957 99 T CB 0.592 69.398 68.868 -0.103 0.000 1.047 99 T HN 0.199 nan 8.240 nan 0.000 0.511 100 G N 1.561 110.299 108.800 -0.104 0.000 2.155 100 G HA2 -0.246 3.711 3.960 -0.006 0.000 0.257 100 G HA3 -0.246 3.711 3.960 -0.006 0.000 0.257 100 G C -0.238 174.654 174.900 -0.014 0.000 0.983 100 G CA 0.313 45.401 45.100 -0.020 0.000 0.676 100 G HN 0.681 nan 8.290 nan 0.000 0.528 101 E N -0.530 119.634 120.200 -0.060 0.000 2.313 101 E HA 0.488 4.834 4.350 -0.006 0.000 0.272 101 E C -0.013 176.558 176.600 -0.048 0.000 1.038 101 E CA -0.719 55.649 56.400 -0.053 0.000 0.863 101 E CB 2.067 31.724 29.700 -0.072 0.000 1.060 101 E HN 0.075 nan 8.360 nan 0.000 0.402 102 V N 3.567 123.466 119.914 -0.026 0.000 2.407 102 V HA 0.197 4.313 4.120 -0.006 0.000 0.278 102 V C -0.068 176.031 176.094 0.007 0.000 1.037 102 V CA -0.474 61.823 62.300 -0.005 0.000 0.900 102 V CB 1.010 32.843 31.823 0.017 0.000 0.983 102 V HN 0.533 nan 8.190 nan 0.000 0.459 103 K N 3.745 124.193 120.400 0.081 0.000 2.221 103 K HA 0.722 5.038 4.320 -0.006 0.000 0.258 103 K C -1.296 175.231 176.600 -0.121 0.000 0.944 103 K CA -0.696 55.626 56.287 0.059 0.000 0.823 103 K CB 2.429 35.106 32.500 0.295 0.000 1.113 103 K HN 0.421 nan 8.250 nan 0.000 0.431 104 V N 4.011 123.675 119.914 -0.416 0.000 2.417 104 V HA 0.367 4.483 4.120 -0.006 0.000 0.291 104 V C -1.139 174.559 176.094 -0.660 0.000 1.024 104 V CA -0.855 61.155 62.300 -0.483 0.000 0.861 104 V CB 0.465 31.890 31.823 -0.663 0.000 0.985 104 V HN 0.600 nan 8.190 nan 0.000 0.436 105 Y N 3.429 123.735 120.300 0.010 0.000 2.468 105 Y HA 0.783 5.329 4.550 -0.007 0.000 0.342 105 Y C 0.158 176.227 175.900 0.281 0.000 1.021 105 Y CA -1.081 57.117 58.100 0.163 0.000 1.079 105 Y CB 2.188 40.749 38.460 0.169 0.000 1.226 105 Y HN 0.541 nan 8.280 nan 0.000 0.460 106 V N -1.138 119.015 119.914 0.398 0.000 3.074 106 V HA 0.890 5.006 4.120 -0.006 0.000 0.314 106 V C -0.736 175.295 176.094 -0.105 0.000 1.117 106 V CA -0.808 61.617 62.300 0.207 0.000 1.014 106 V CB 1.852 33.739 31.823 0.107 0.000 1.057 106 V HN 0.711 nan 8.190 nan 0.000 0.438 107 S N 0.254 115.641 115.700 -0.521 0.000 2.571 107 S HA 0.540 5.006 4.470 -0.006 0.000 0.284 107 S C -0.527 173.755 174.600 -0.530 0.000 1.128 107 S CA -0.507 57.174 58.200 -0.864 0.000 0.970 107 S CB 1.934 63.963 63.200 -1.951 0.000 1.039 107 S HN 0.887 nan 8.310 nan 0.000 0.485 108 D N 2.282 122.446 120.400 -0.393 0.000 2.398 108 D HA 0.136 4.772 4.640 -0.006 0.000 0.210 108 D C -0.068 176.080 176.300 -0.254 0.000 1.094 108 D CA 0.294 54.136 54.000 -0.263 0.000 0.839 108 D CB 0.507 41.201 40.800 -0.175 0.000 0.963 108 D HN 0.761 nan 8.370 nan 0.000 0.506 109 D N -0.601 119.599 120.400 -0.333 0.000 2.720 109 D HA -0.019 4.618 4.640 -0.006 0.000 0.285 109 D C -0.084 176.024 176.300 -0.319 0.000 1.359 109 D CA -0.457 53.382 54.000 -0.268 0.000 0.818 109 D CB -0.407 40.261 40.800 -0.221 0.000 1.108 109 D HN -0.126 nan 8.370 nan 0.000 0.474 110 S N -0.980 114.494 115.700 -0.376 0.000 3.484 110 S HA -0.049 4.418 4.470 -0.006 0.000 0.384 110 S C 1.367 175.602 174.600 -0.608 0.000 0.932 110 S CA 0.854 58.801 58.200 -0.421 0.000 1.293 110 S CB -2.243 60.835 63.200 -0.203 0.000 0.919 110 S HN 1.683 nan 8.310 nan 0.000 0.540 111 G N -1.217 106.960 108.800 -1.039 0.000 2.213 111 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.236 111 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.236 111 G C 0.707 175.210 174.900 -0.661 0.000 0.991 111 G CA 0.242 44.456 45.100 -1.476 0.000 0.629 111 G HN 1.470 nan 8.290 nan 0.000 0.517 112 V N 0.945 120.584 119.914 -0.458 0.000 2.283 112 V HA 0.108 4.225 4.120 -0.006 0.000 0.243 112 V C 1.629 177.627 176.094 -0.160 0.000 1.039 112 V CA 2.447 64.630 62.300 -0.195 0.000 1.016 112 V CB -0.346 31.396 31.823 -0.135 0.000 0.650 112 V HN 0.544 nan 8.190 nan 0.000 0.449 113 T N -0.981 113.374 114.554 -0.332 0.000 2.856 113 T HA 0.524 4.871 4.350 -0.006 0.000 0.283 113 T C -1.325 173.090 174.700 -0.473 0.000 1.008 113 T CA -0.314 61.653 62.100 -0.222 0.000 0.997 113 T CB 1.579 70.351 68.868 -0.159 0.000 0.992 113 T HN 0.293 nan 8.240 nan 0.000 0.454 114 W N 0.918 122.170 121.300 -0.080 0.000 2.761 114 W HA 0.680 5.337 4.660 -0.005 0.000 0.340 114 W C -1.116 175.434 176.519 0.051 0.000 1.072 114 W CA -0.781 56.544 57.345 -0.034 0.000 1.215 114 W CB 1.594 31.011 29.460 -0.071 0.000 1.420 114 W HN 0.377 nan 8.180 nan 0.000 0.519 115 V N 1.924 122.028 119.914 0.316 0.000 2.531 115 V HA 0.155 4.271 4.120 -0.006 0.000 0.301 115 V C -0.676 175.614 176.094 0.327 0.000 1.034 115 V CA -1.067 61.388 62.300 0.259 0.000 0.865 115 V CB 1.330 33.225 31.823 0.121 0.000 0.995 115 V HN 0.519 nan 8.190 nan 0.000 0.424 116 H N 5.111 124.316 119.070 0.223 0.000 2.899 116 H HA 0.297 4.851 4.556 -0.003 0.000 0.303 116 H C 0.710 176.027 175.328 -0.018 0.000 1.042 116 H CA 0.394 56.433 56.048 -0.014 0.000 1.479 116 H CB 0.889 30.655 29.762 0.006 0.000 1.493 116 H HN 0.440 nan 8.280 nan 0.000 0.534 117 K N 4.519 124.606 120.400 -0.521 0.000 2.370 117 K HA 0.133 4.449 4.320 -0.006 0.000 0.194 117 K C -0.712 175.775 176.600 -0.188 0.000 1.070 117 K CA 0.161 56.326 56.287 -0.204 0.000 0.998 117 K CB 0.821 33.367 32.500 0.076 0.000 0.911 117 K HN 0.541 nan 8.250 nan 0.000 0.533 118 F N -0.088 119.366 119.950 -0.828 0.000 2.690 118 F HA 0.214 4.738 4.527 -0.004 0.000 0.311 118 F C -1.528 174.058 175.800 -0.357 0.000 1.111 118 F CA -0.505 57.236 58.000 -0.433 0.000 1.003 118 F CB 1.865 40.726 39.000 -0.233 0.000 1.283 118 F HN -0.318 nan 8.300 nan 0.000 0.442 119 T N 5.883 119.933 114.554 -0.841 0.000 2.824 119 T HA 0.496 4.842 4.350 -0.006 0.000 0.282 119 T C -1.518 172.599 174.700 -0.972 0.000 0.993 119 T CA -0.449 61.311 62.100 -0.566 0.000 0.967 119 T CB 1.544 70.297 68.868 -0.192 0.000 0.960 119 T HN 0.532 nan 8.240 nan 0.000 0.441 120 L N 4.137 125.074 121.223 -0.476 0.000 2.257 120 L HA 0.758 5.094 4.340 -0.006 0.000 0.290 120 L C 0.301 177.104 176.870 -0.112 0.000 1.044 120 L CA -0.341 54.374 54.840 -0.208 0.000 0.810 120 L CB 0.072 42.216 42.059 0.141 0.000 1.193 120 L HN 0.771 nan 8.230 nan 0.000 0.425 121 A N 5.041 127.802 122.820 -0.099 0.000 2.386 121 A HA 0.368 4.684 4.320 -0.006 0.000 0.248 121 A C 1.166 178.743 177.584 -0.013 0.000 1.082 121 A CA -0.175 51.830 52.037 -0.054 0.000 0.789 121 A CB 0.309 19.278 19.000 -0.050 0.000 1.025 121 A HN 0.903 nan 8.150 nan 0.000 0.490 122 R N 1.211 121.704 120.500 -0.012 0.000 2.096 122 R HA 0.059 4.395 4.340 -0.006 0.000 0.235 122 R C 1.690 177.987 176.300 -0.005 0.000 1.127 122 R CA 1.203 57.301 56.100 -0.003 0.000 0.968 122 R CB -0.607 29.688 30.300 -0.008 0.000 0.861 122 R HN 1.297 nan 8.270 nan 0.000 0.440 123 G N -0.195 108.600 108.800 -0.007 0.000 2.611 123 G HA2 -0.384 3.573 3.960 -0.006 0.000 0.301 123 G HA3 -0.384 3.573 3.960 -0.006 0.000 0.301 123 G C 0.811 175.700 174.900 -0.018 0.000 1.233 123 G CA 0.147 45.243 45.100 -0.007 0.000 0.993 123 G HN 0.464 nan 8.290 nan 0.000 0.553 124 G N 0.843 109.630 108.800 -0.022 0.000 2.920 124 G HA2 0.565 4.521 3.960 -0.006 0.000 0.208 124 G HA3 0.565 4.521 3.960 -0.006 0.000 0.208 124 G C 0.783 175.652 174.900 -0.053 0.000 1.159 124 G CA 1.460 46.539 45.100 -0.034 0.000 0.784 124 G HN 1.777 nan 8.290 nan 0.000 0.535 125 A N 0.402 123.187 122.820 -0.058 0.000 2.340 125 A HA 0.448 4.765 4.320 -0.006 0.000 0.268 125 A C 1.065 178.584 177.584 -0.108 0.000 1.100 125 A CA -0.256 51.719 52.037 -0.103 0.000 0.803 125 A CB 0.603 19.541 19.000 -0.104 0.000 1.043 125 A HN 0.100 nan 8.150 nan 0.000 0.488 126 D N -0.437 119.858 120.400 -0.175 0.000 2.149 126 D HA -0.006 4.631 4.640 -0.006 0.000 0.198 126 D C 0.100 176.412 176.300 0.021 0.000 0.990 126 D CA 2.726 56.667 54.000 -0.100 0.000 0.839 126 D CB -0.263 40.469 40.800 -0.113 0.000 0.948 126 D HN 0.689 nan 8.370 nan 0.000 0.460 127 Y N -3.254 117.054 120.300 0.013 0.000 2.687 127 Y HA 0.426 4.973 4.550 -0.006 0.000 0.338 127 Y C -1.296 174.626 175.900 0.036 0.000 1.189 127 Y CA -1.403 56.703 58.100 0.009 0.000 1.097 127 Y CB 0.713 39.184 38.460 0.019 0.000 1.342 127 Y HN -0.374 nan 8.280 nan 0.000 0.461 128 N N 1.472 120.302 118.700 0.217 0.000 2.392 128 N HA 0.371 5.107 4.740 -0.006 0.000 0.283 128 N C -2.138 173.481 175.510 0.182 0.000 1.003 128 N CA -0.420 52.741 53.050 0.186 0.000 0.892 128 N CB 2.272 40.821 38.487 0.104 0.000 1.193 128 N HN 0.686 nan 8.380 nan 0.000 0.487 129 F N 1.801 121.724 119.950 -0.044 0.000 2.347 129 F HA 0.454 4.977 4.527 -0.006 0.000 0.366 129 F C 0.265 175.923 175.800 -0.236 0.000 1.107 129 F CA -0.790 57.031 58.000 -0.299 0.000 1.058 129 F CB 0.774 39.257 39.000 -0.863 0.000 1.236 129 F HN 0.459 nan 8.300 nan 0.000 0.456 130 A N 4.828 127.599 122.820 -0.082 0.000 2.450 130 A HA 0.373 4.689 4.320 -0.006 0.000 0.255 130 A C -1.149 176.631 177.584 0.327 0.000 1.096 130 A CA 0.190 52.287 52.037 0.100 0.000 0.778 130 A CB -0.057 18.951 19.000 0.015 0.000 1.031 130 A HN 0.930 nan 8.150 nan 0.000 0.494 131 H N 0.212 119.475 119.070 0.322 0.000 3.086 131 H HA 0.547 5.099 4.556 -0.006 0.000 0.353 131 H C -0.156 175.401 175.328 0.380 0.000 1.134 131 H CA 0.732 57.028 56.048 0.413 0.000 1.248 131 H CB 1.300 31.417 29.762 0.592 0.000 1.878 131 H HN 1.935 nan 8.280 nan 0.000 0.527 132 G N 2.474 111.113 108.800 -0.267 0.000 2.525 132 G HA2 -0.012 3.944 3.960 -0.006 0.000 0.685 132 G HA3 -0.012 3.944 3.960 -0.006 0.000 0.685 132 G C -1.407 173.568 174.900 0.125 0.000 1.290 132 G CA -0.580 44.473 45.100 -0.078 0.000 0.915 132 G HN 0.679 nan 8.290 nan 0.000 0.548 133 K N 0.515 121.032 120.400 0.195 0.000 2.379 133 K HA 0.585 4.902 4.320 -0.006 0.000 0.284 133 K C 1.089 177.873 176.600 0.306 0.000 1.044 133 K CA 0.481 56.907 56.287 0.231 0.000 0.974 133 K CB 0.321 32.950 32.500 0.215 0.000 0.962 133 K HN 1.246 nan 8.250 nan 0.000 0.474 134 S N 3.260 119.092 115.700 0.220 0.000 2.614 134 S HA 0.712 5.178 4.470 -0.006 0.000 0.265 134 S C -0.206 174.375 174.600 -0.033 0.000 1.303 134 S CA -0.570 57.620 58.200 -0.017 0.000 1.000 134 S CB 0.075 63.230 63.200 -0.075 0.000 0.935 134 S HN 0.573 nan 8.310 nan 0.000 0.551 135 F N -2.562 117.006 119.950 -0.635 0.000 2.713 135 F HA 0.679 5.202 4.527 -0.006 0.000 0.311 135 F C -0.958 174.516 175.800 -0.543 0.000 1.141 135 F CA -1.397 56.370 58.000 -0.389 0.000 0.939 135 F CB 1.179 40.077 39.000 -0.170 0.000 1.325 135 F HN 0.546 nan 8.300 nan 0.000 0.453 136 Q N 1.129 120.954 119.800 0.042 0.000 2.256 136 Q HA 0.693 5.029 4.340 -0.006 0.000 0.254 136 Q C -1.640 174.417 176.000 0.095 0.000 0.916 136 Q CA -0.489 55.362 55.803 0.080 0.000 0.932 136 Q CB 1.758 30.628 28.738 0.220 0.000 1.207 136 Q HN 0.685 nan 8.270 nan 0.000 0.426 137 V N 5.336 125.254 119.914 0.007 0.000 2.357 137 V HA 0.601 4.717 4.120 -0.006 0.000 0.281 137 V C 0.859 176.989 176.094 0.059 0.000 1.015 137 V CA 0.173 62.519 62.300 0.077 0.000 0.827 137 V CB 0.290 32.171 31.823 0.097 0.000 1.018 137 V HN 1.053 nan 8.190 nan 0.000 0.432 138 G N 5.072 113.909 108.800 0.062 0.000 2.646 138 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.324 138 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.324 138 G C 1.051 175.968 174.900 0.028 0.000 1.195 138 G CA 0.746 45.871 45.100 0.042 0.000 0.976 138 G HN 1.536 nan 8.290 nan 0.000 0.546 139 A N 0.446 123.274 122.820 0.013 0.000 2.275 139 A HA 0.524 4.841 4.320 -0.006 0.000 0.212 139 A C 1.337 178.904 177.584 -0.027 0.000 1.201 139 A CA 0.972 53.004 52.037 -0.008 0.000 0.843 139 A CB 0.051 19.041 19.000 -0.017 0.000 0.873 139 A HN 0.556 nan 8.150 nan 0.000 0.492 140 R N -1.207 119.280 120.500 -0.021 0.000 2.532 140 R HA 0.519 4.856 4.340 -0.006 0.000 0.295 140 R C -1.535 174.727 176.300 -0.063 0.000 0.968 140 R CA -0.500 55.564 56.100 -0.061 0.000 0.916 140 R CB 1.272 31.544 30.300 -0.047 0.000 1.124 140 R HN 0.319 nan 8.270 nan 0.000 0.463 141 Y N 1.606 121.758 120.300 -0.246 0.000 2.352 141 Y HA 0.403 4.949 4.550 -0.006 0.000 0.339 141 Y C -0.879 174.853 175.900 -0.280 0.000 0.992 141 Y CA -0.649 57.298 58.100 -0.255 0.000 1.100 141 Y CB 1.488 39.846 38.460 -0.170 0.000 1.192 141 Y HN 0.234 nan 8.280 nan 0.000 0.458 142 V N 7.452 126.788 119.914 -0.964 0.000 2.540 142 V HA 0.447 4.563 4.120 -0.006 0.000 0.302 142 V C -0.497 175.136 176.094 -0.769 0.000 1.035 142 V CA -0.907 60.840 62.300 -0.922 0.000 0.873 142 V CB 1.787 32.532 31.823 -1.796 0.000 0.992 142 V HN 0.610 nan 8.190 nan 0.000 0.428 143 I N 6.470 126.876 120.570 -0.274 0.000 2.362 143 I HA 0.410 4.576 4.170 -0.006 0.000 0.289 143 I C -2.516 173.593 176.117 -0.014 0.000 0.994 143 I CA -2.079 59.151 61.300 -0.118 0.000 1.158 143 I CB 2.372 40.342 38.000 -0.049 0.000 1.315 143 I HN 0.417 nan 8.210 nan 0.000 0.451 144 P HA 0.344 nan 4.420 nan 0.000 0.275 144 P C -1.066 176.450 177.300 0.360 0.000 1.227 144 P CA -0.135 63.171 63.100 0.343 0.000 0.781 144 P CB 0.684 32.742 31.700 0.597 0.000 0.906 145 L N 3.001 124.453 121.223 0.382 0.000 2.388 145 L HA 0.584 4.920 4.340 -0.006 0.000 0.264 145 L C -0.445 176.666 176.870 0.403 0.000 0.998 145 L CA -1.212 53.818 54.840 0.317 0.000 0.817 145 L CB 1.591 43.785 42.059 0.224 0.000 1.338 145 L HN 0.443 nan 8.230 nan 0.000 0.414 146 Y N 0.563 121.076 120.300 0.354 0.000 2.509 146 Y HA 0.952 5.499 4.550 -0.005 0.000 0.341 146 Y C -0.516 175.574 175.900 0.316 0.000 1.038 146 Y CA -1.067 57.211 58.100 0.297 0.000 1.089 146 Y CB 1.736 40.345 38.460 0.248 0.000 1.241 146 Y HN 0.622 nan 8.280 nan 0.000 0.468 147 A N 1.377 124.424 122.820 0.379 0.000 2.539 147 A HA 0.959 5.275 4.320 -0.006 0.000 0.296 147 A C -1.530 176.064 177.584 0.018 0.000 1.073 147 A CA -0.465 51.624 52.037 0.087 0.000 0.700 147 A CB 1.277 20.288 19.000 0.019 0.000 1.296 147 A HN 1.587 nan 8.150 nan 0.000 0.405 148 A N 0.194 122.762 122.820 -0.420 0.000 2.435 148 A HA 0.861 5.178 4.320 -0.006 0.000 0.304 148 A C -0.539 176.813 177.584 -0.387 0.000 1.064 148 A CA -0.508 51.335 52.037 -0.323 0.000 0.727 148 A CB 1.484 20.383 19.000 -0.168 0.000 1.284 148 A HN 0.987 nan 8.150 nan 0.000 0.415 149 T N 1.714 116.079 114.554 -0.315 0.000 3.077 149 T HA 0.544 4.891 4.350 -0.006 0.000 0.359 149 T C 0.908 175.471 174.700 -0.228 0.000 1.108 149 T CA 0.509 62.473 62.100 -0.228 0.000 1.170 149 T CB 0.519 69.287 68.868 -0.167 0.000 1.045 149 T HN 2.291 nan 8.240 nan 0.000 0.505 150 G N 2.490 111.180 108.800 -0.183 0.000 2.686 150 G HA2 -0.299 3.658 3.960 -0.006 0.000 0.329 150 G HA3 -0.299 3.658 3.960 -0.006 0.000 0.329 150 G C 0.780 175.519 174.900 -0.268 0.000 1.187 150 G CA 0.616 45.622 45.100 -0.157 0.000 0.965 150 G HN 0.838 nan 8.290 nan 0.000 0.549 151 V N 3.109 122.846 119.914 -0.295 0.000 3.253 151 V HA 0.345 4.461 4.120 -0.006 0.000 0.320 151 V C 0.760 176.537 176.094 -0.528 0.000 1.442 151 V CA 0.649 62.711 62.300 -0.397 0.000 1.097 151 V CB -0.002 31.750 31.823 -0.118 0.000 1.008 151 V HN 0.742 nan 8.190 nan 0.000 0.463 152 N N 0.532 118.941 118.700 -0.484 0.000 2.518 152 N HA 0.223 4.960 4.740 -0.006 0.000 0.283 152 N C -1.739 173.435 175.510 -0.560 0.000 1.119 152 N CA 0.079 52.906 53.050 -0.372 0.000 0.983 152 N CB 1.184 39.551 38.487 -0.199 0.000 1.139 152 N HN 0.231 nan 8.380 nan 0.000 0.465 153 Y N 0.485 120.815 120.300 0.049 0.000 2.477 153 Y HA 0.391 4.937 4.550 -0.006 0.000 0.347 153 Y C -0.154 175.844 175.900 0.164 0.000 0.981 153 Y CA -0.780 57.389 58.100 0.114 0.000 1.033 153 Y CB 1.838 40.397 38.460 0.166 0.000 1.245 153 Y HN 0.379 nan 8.280 nan 0.000 0.455 154 E N 3.038 123.426 120.200 0.314 0.000 2.317 154 E HA 0.584 4.930 4.350 -0.006 0.000 0.270 154 E C -1.541 175.230 176.600 0.286 0.000 0.885 154 E CA -0.975 55.569 56.400 0.240 0.000 0.760 154 E CB 3.006 32.760 29.700 0.089 0.000 1.227 154 E HN 0.476 nan 8.360 nan 0.000 0.434 155 L N 2.453 123.807 121.223 0.218 0.000 2.313 155 L HA 0.533 4.869 4.340 -0.006 0.000 0.283 155 L C -0.206 176.690 176.870 0.044 0.000 1.013 155 L CA -0.505 54.430 54.840 0.158 0.000 0.816 155 L CB 1.021 43.100 42.059 0.034 0.000 1.236 155 L HN 0.322 nan 8.230 nan 0.000 0.419 156 K N 2.045 122.525 120.400 0.133 0.000 2.480 156 K HA 0.547 4.863 4.320 -0.006 0.000 0.258 156 K C -1.812 174.955 176.600 0.278 0.000 0.990 156 K CA -0.894 55.445 56.287 0.087 0.000 0.857 156 K CB 2.651 35.221 32.500 0.117 0.000 1.384 156 K HN 0.221 nan 8.250 nan 0.000 0.446 157 W N 1.970 123.266 121.300 -0.008 0.000 2.529 157 W HA 0.402 5.058 4.660 -0.006 0.000 0.321 157 W C -0.742 175.790 176.519 0.022 0.000 1.047 157 W CA -1.008 56.319 57.345 -0.029 0.000 1.216 157 W CB 0.883 30.300 29.460 -0.071 0.000 1.357 157 W HN 0.292 nan 8.180 nan 0.000 0.489 158 L N 3.974 125.340 121.223 0.239 0.000 2.264 158 L HA 0.440 4.777 4.340 -0.006 0.000 0.289 158 L C -0.101 176.918 176.870 0.248 0.000 1.044 158 L CA -0.027 54.937 54.840 0.207 0.000 0.807 158 L CB 0.431 42.583 42.059 0.155 0.000 1.192 158 L HN 0.410 nan 8.230 nan 0.000 0.425 159 E N 2.667 123.001 120.200 0.224 0.000 2.256 159 E HA 0.580 4.926 4.350 -0.006 0.000 0.267 159 E C -1.327 175.190 176.600 -0.138 0.000 0.892 159 E CA -0.813 55.636 56.400 0.082 0.000 0.775 159 E CB 2.097 31.820 29.700 0.039 0.000 1.207 159 E HN 0.520 nan 8.360 nan 0.000 0.420 160 S N 0.288 115.679 115.700 -0.516 0.000 2.538 160 S HA 0.274 4.740 4.470 -0.006 0.000 0.288 160 S C -0.051 174.279 174.600 -0.450 0.000 1.108 160 S CA -0.559 57.149 58.200 -0.821 0.000 0.971 160 S CB 1.119 63.234 63.200 -1.808 0.000 1.041 160 S HN 0.511 nan 8.310 nan 0.000 0.483 161 S N 1.861 117.363 115.700 -0.331 0.000 2.554 161 S HA 0.192 4.658 4.470 -0.006 0.000 0.226 161 S C -0.030 174.453 174.600 -0.195 0.000 0.980 161 S CA -0.095 57.983 58.200 -0.203 0.000 0.939 161 S CB -0.175 62.947 63.200 -0.129 0.000 0.832 161 S HN 0.771 nan 8.310 nan 0.000 0.486 162 D N 0.100 120.340 120.400 -0.266 0.000 2.623 162 D HA 0.371 5.007 4.640 -0.006 0.000 0.252 162 D C 1.055 177.224 176.300 -0.219 0.000 1.294 162 D CA -0.076 53.800 54.000 -0.207 0.000 0.824 162 D CB -0.226 40.465 40.800 -0.181 0.000 1.070 162 D HN 0.335 nan 8.370 nan 0.000 0.487 163 G N -0.304 108.346 108.800 -0.251 0.000 2.147 163 G HA2 -0.002 3.954 3.960 -0.006 0.000 0.244 163 G HA3 -0.002 3.954 3.960 -0.006 0.000 0.244 163 G C 1.108 175.863 174.900 -0.242 0.000 1.005 163 G CA 0.250 45.216 45.100 -0.223 0.000 0.713 163 G HN 1.451 nan 8.290 nan 0.000 0.515 164 G N -1.544 107.010 108.800 -0.410 0.000 2.163 164 G HA2 -0.190 3.766 3.960 -0.006 0.000 0.213 164 G HA3 -0.190 3.766 3.960 -0.006 0.000 0.213 164 G C 0.772 175.609 174.900 -0.106 0.000 0.991 164 G CA 1.049 45.965 45.100 -0.306 0.000 0.653 164 G HN 0.580 nan 8.290 nan 0.000 0.518 165 E N -0.268 119.805 120.200 -0.212 0.000 2.112 165 E HA 0.095 4.442 4.350 -0.006 0.000 0.190 165 E C 1.124 177.682 176.600 -0.071 0.000 0.979 165 E CA 1.524 57.877 56.400 -0.079 0.000 0.814 165 E CB 0.221 29.869 29.700 -0.088 0.000 0.762 165 E HN 0.457 nan 8.360 nan 0.000 0.460 166 T N -0.753 113.634 114.554 -0.279 0.000 2.903 166 T HA 0.468 4.815 4.350 -0.006 0.000 0.299 166 T C -1.899 172.439 174.700 -0.604 0.000 1.093 166 T CA -0.663 61.300 62.100 -0.228 0.000 1.002 166 T CB 0.733 69.527 68.868 -0.123 0.000 1.127 166 T HN -0.037 nan 8.240 nan 0.000 0.488 167 W N 0.956 121.948 121.300 -0.512 0.000 2.975 167 W HA 0.774 5.432 4.660 -0.004 0.000 0.342 167 W C 0.196 176.266 176.519 -0.748 0.000 1.168 167 W CA -0.517 56.397 57.345 -0.719 0.000 1.141 167 W CB 2.233 31.030 29.460 -1.105 0.000 1.445 167 W HN 1.012 nan 8.180 nan 0.000 0.560 168 G N 0.650 109.330 108.800 -0.200 0.000 2.616 168 G HA2 0.374 4.331 3.960 -0.006 0.000 0.294 168 G HA3 0.374 4.331 3.960 -0.006 0.000 0.294 168 G C -1.847 173.089 174.900 0.060 0.000 1.489 168 G CA -1.088 43.977 45.100 -0.058 0.000 0.836 168 G HN 0.330 nan 8.290 nan 0.000 0.527 169 E N -0.336 119.934 120.200 0.117 0.000 2.529 169 E HA 0.419 4.765 4.350 -0.006 0.000 0.259 169 E C 0.983 177.648 176.600 0.109 0.000 0.966 169 E CA 1.760 58.237 56.400 0.128 0.000 0.937 169 E CB 0.659 30.429 29.700 0.117 0.000 0.923 169 E HN 0.712 nan 8.360 nan 0.000 0.468 170 G N 1.978 110.861 108.800 0.138 0.000 3.392 170 G HA2 0.161 4.118 3.960 -0.006 0.000 0.185 170 G HA3 0.161 4.118 3.960 -0.006 0.000 0.185 170 G C -0.284 174.675 174.900 0.100 0.000 1.206 170 G CA -0.011 45.170 45.100 0.135 0.000 0.776 170 G HN 0.604 nan 8.290 nan 0.000 0.697 171 S N -0.354 115.410 115.700 0.107 0.000 2.558 171 S HA 0.361 4.827 4.470 -0.006 0.000 0.291 171 S C -0.142 174.358 174.600 -0.166 0.000 1.306 171 S CA 0.411 58.577 58.200 -0.058 0.000 1.056 171 S CB 0.224 63.288 63.200 -0.227 0.000 0.836 171 S HN 0.456 nan 8.310 nan 0.000 0.504 172 T N 5.768 120.234 114.554 -0.146 0.000 2.770 172 T HA 0.447 4.794 4.350 -0.006 0.000 0.283 172 T C 0.766 175.292 174.700 -0.290 0.000 0.988 172 T CA -0.515 61.479 62.100 -0.175 0.000 0.957 172 T CB 1.107 69.929 68.868 -0.077 0.000 0.930 172 T HN 0.540 nan 8.240 nan 0.000 0.443 173 I N 2.256 122.519 120.570 -0.512 0.000 2.731 173 I HA 0.240 4.406 4.170 -0.006 0.000 0.260 173 I C 0.075 175.901 176.117 -0.484 0.000 1.138 173 I CA 0.469 61.196 61.300 -0.955 0.000 1.461 173 I CB 0.035 37.313 38.000 -1.203 0.000 1.128 173 I HN 0.625 nan 8.210 nan 0.000 0.438 174 Y N -0.789 119.286 120.300 -0.376 0.000 2.552 174 Y HA 0.624 5.170 4.550 -0.006 0.000 0.337 174 Y C -0.931 174.946 175.900 -0.038 0.000 1.094 174 Y CA -1.176 56.811 58.100 -0.189 0.000 1.028 174 Y CB 1.726 40.039 38.460 -0.243 0.000 1.321 174 Y HN -0.239 nan 8.280 nan 0.000 0.456 175 S N 3.555 118.719 115.700 -0.892 0.000 2.706 175 S HA 0.807 5.273 4.470 -0.006 0.000 0.270 175 S C -0.830 173.294 174.600 -0.794 0.000 1.163 175 S CA 0.360 58.197 58.200 -0.604 0.000 1.042 175 S CB 0.473 63.515 63.200 -0.263 0.000 1.079 175 S HN 1.565 nan 8.310 nan 0.000 0.474 176 G N 3.132 111.590 108.800 -0.571 0.000 2.427 176 G HA2 0.227 4.184 3.960 -0.006 0.000 0.306 176 G HA3 0.227 4.184 3.960 -0.006 0.000 0.306 176 G C -0.295 174.720 174.900 0.191 0.000 1.280 176 G CA -0.168 44.807 45.100 -0.207 0.000 0.837 176 G HN 0.665 nan 8.290 nan 0.000 0.482 177 N N -0.752 118.098 118.700 0.250 0.000 2.336 177 N HA 0.131 4.867 4.740 -0.006 0.000 0.189 177 N C 0.171 175.864 175.510 0.306 0.000 1.113 177 N CA 0.404 53.610 53.050 0.260 0.000 0.858 177 N CB 0.516 39.085 38.487 0.137 0.000 0.970 177 N HN 0.306 nan 8.380 nan 0.000 0.471 178 T N 3.015 117.719 114.554 0.250 0.000 2.767 178 T HA 0.315 4.662 4.350 -0.006 0.000 0.284 178 T C -2.609 171.745 174.700 -0.577 0.000 0.973 178 T CA -1.357 60.583 62.100 -0.266 0.000 0.996 178 T CB 2.137 70.634 68.868 -0.618 0.000 0.927 178 T HN 0.083 nan 8.240 nan 0.000 0.456 179 P HA 0.134 nan 4.420 nan 0.000 0.225 179 P C -0.718 176.168 177.300 -0.690 0.000 1.768 179 P CA -0.492 61.864 63.100 -1.239 0.000 0.943 179 P CB -0.651 30.279 31.700 -1.283 0.000 1.936 180 Y N 2.147 122.217 120.300 -0.383 0.000 2.610 180 Y HA -0.040 4.507 4.550 -0.006 0.000 0.332 180 Y C 1.747 177.447 175.900 -0.334 0.000 1.201 180 Y CA 0.673 58.572 58.100 -0.335 0.000 1.465 180 Y CB 0.025 38.267 38.460 -0.363 0.000 1.283 180 Y HN 0.336 nan 8.280 nan 0.000 0.563 181 N N -0.380 118.150 118.700 -0.284 0.000 3.158 181 N HA 0.122 4.859 4.740 -0.006 0.000 0.190 181 N C -0.996 174.193 175.510 -0.534 0.000 1.508 181 N CA -0.613 51.982 53.050 -0.758 0.000 1.199 181 N CB 0.036 37.660 38.487 -1.438 0.000 1.004 181 N HN 0.420 nan 8.380 nan 0.000 0.660 182 E N 0.629 120.483 120.200 -0.578 0.000 2.491 182 E HA 0.176 4.523 4.350 -0.006 0.000 0.250 182 E C -0.839 175.725 176.600 -0.060 0.000 1.061 182 E CA 0.537 56.735 56.400 -0.336 0.000 0.942 182 E CB 0.148 29.513 29.700 -0.559 0.000 0.957 182 E HN 0.300 nan 8.360 nan 0.000 0.480 183 T N 2.063 116.707 114.554 0.150 0.000 2.879 183 T HA 0.243 4.589 4.350 -0.006 0.000 0.290 183 T C -0.617 174.099 174.700 0.027 0.000 0.993 183 T CA -0.714 61.383 62.100 -0.006 0.000 0.975 183 T CB 1.672 70.465 68.868 -0.126 0.000 0.981 183 T HN 0.262 nan 8.240 nan 0.000 0.439 184 S N 2.473 118.123 115.700 -0.083 0.000 2.508 184 S HA 0.682 5.149 4.470 -0.006 0.000 0.284 184 S C -1.372 173.081 174.600 -0.245 0.000 1.192 184 S CA -0.527 57.670 58.200 -0.005 0.000 1.070 184 S CB 0.266 63.515 63.200 0.083 0.000 1.004 184 S HN 0.529 nan 8.310 nan 0.000 0.493 185 Y N 3.088 123.399 120.300 0.018 0.000 2.393 185 Y HA 0.649 5.195 4.550 -0.006 0.000 0.341 185 Y C -0.358 175.317 175.900 -0.375 0.000 0.988 185 Y CA -0.924 57.082 58.100 -0.155 0.000 1.078 185 Y CB 1.752 40.001 38.460 -0.352 0.000 1.203 185 Y HN 0.563 nan 8.280 nan 0.000 0.453 186 L N 6.545 127.747 121.223 -0.036 0.000 2.372 186 L HA 0.646 4.982 4.340 -0.006 0.000 0.273 186 L C -2.919 173.938 176.870 -0.021 0.000 0.989 186 L CA -2.423 52.388 54.840 -0.049 0.000 0.841 186 L CB 1.558 43.675 42.059 0.097 0.000 1.225 186 L HN 0.288 nan 8.230 nan 0.000 0.414 187 P HA 0.094 nan 4.420 nan 0.000 0.271 187 P C 0.193 177.441 177.300 -0.087 0.000 1.226 187 P CA -0.025 63.064 63.100 -0.019 0.000 0.765 187 P CB 0.795 32.506 31.700 0.019 0.000 0.835 188 V N 1.001 120.873 119.914 -0.070 0.000 3.121 188 V HA 0.477 4.593 4.120 -0.006 0.000 0.344 188 V C 0.842 176.819 176.094 -0.195 0.000 1.390 188 V CA 0.600 62.802 62.300 -0.163 0.000 1.177 188 V CB 0.109 31.969 31.823 0.060 0.000 1.163 188 V HN 0.503 nan 8.190 nan 0.000 0.484 189 G N -0.328 108.371 108.800 -0.168 0.000 3.226 189 G HA2 0.197 4.153 3.960 -0.006 0.000 0.190 189 G HA3 0.197 4.153 3.960 -0.006 0.000 0.190 189 G C 0.001 174.883 174.900 -0.029 0.000 1.988 189 G CA 0.284 45.342 45.100 -0.070 0.000 0.859 189 G HN 0.421 nan 8.290 nan 0.000 0.631 190 D N 0.730 121.118 120.400 -0.021 0.000 2.829 190 D HA -0.156 4.481 4.640 -0.006 0.000 0.219 190 D C 1.413 177.711 176.300 -0.003 0.000 1.239 190 D CA 1.681 55.677 54.000 -0.007 0.000 0.685 190 D CB -1.248 39.547 40.800 -0.010 0.000 0.950 190 D HN 1.258 nan 8.370 nan 0.000 0.398 191 G N -1.619 107.185 108.800 0.008 0.000 2.241 191 G HA2 -0.326 3.631 3.960 -0.006 0.000 0.244 191 G HA3 -0.326 3.631 3.960 -0.006 0.000 0.244 191 G C 0.417 175.311 174.900 -0.010 0.000 0.998 191 G CA 0.122 45.224 45.100 0.003 0.000 0.621 191 G HN 0.541 nan 8.290 nan 0.000 0.519 192 V N 3.222 123.134 119.914 -0.003 0.000 2.406 192 V HA 0.618 4.734 4.120 -0.006 0.000 0.272 192 V C 0.338 176.456 176.094 0.040 0.000 1.043 192 V CA -0.465 61.833 62.300 -0.003 0.000 0.915 192 V CB 1.433 33.260 31.823 0.007 0.000 0.988 192 V HN 0.299 nan 8.190 nan 0.000 0.466 193 I N 5.973 126.575 120.570 0.053 0.000 2.466 193 I HA 0.435 4.602 4.170 -0.006 0.000 0.289 193 I C -0.485 175.802 176.117 0.283 0.000 1.026 193 I CA -0.647 60.770 61.300 0.195 0.000 1.078 193 I CB 1.719 39.955 38.000 0.393 0.000 1.249 193 I HN 0.439 nan 8.210 nan 0.000 0.429 194 L N 5.534 126.932 121.223 0.290 0.000 2.343 194 L HA 0.882 5.218 4.340 -0.006 0.000 0.275 194 L C -0.148 176.941 176.870 0.364 0.000 1.056 194 L CA 0.018 55.053 54.840 0.326 0.000 0.804 194 L CB 1.632 43.835 42.059 0.241 0.000 1.203 194 L HN 0.799 nan 8.230 nan 0.000 0.440 195 A N 3.724 126.748 122.820 0.340 0.000 2.449 195 A HA 0.812 5.128 4.320 -0.006 0.000 0.302 195 A C -1.739 175.889 177.584 0.073 0.000 1.048 195 A CA -0.531 51.554 52.037 0.079 0.000 0.708 195 A CB 1.778 20.724 19.000 -0.090 0.000 1.274 195 A HN 0.455 nan 8.150 nan 0.000 0.410 196 V N 0.908 120.790 119.914 -0.053 0.000 2.638 196 V HA 0.789 4.906 4.120 -0.006 0.000 0.306 196 V C 0.092 176.122 176.094 -0.105 0.000 1.052 196 V CA -0.144 62.121 62.300 -0.059 0.000 0.885 196 V CB 1.677 33.455 31.823 -0.075 0.000 0.999 196 V HN 1.500 nan 8.190 nan 0.000 0.424 197 A N 4.421 127.178 122.820 -0.104 0.000 2.371 197 A HA 0.788 5.105 4.320 -0.006 0.000 0.311 197 A C -0.256 177.275 177.584 -0.088 0.000 1.068 197 A CA -0.791 51.187 52.037 -0.099 0.000 0.744 197 A CB 1.242 20.184 19.000 -0.096 0.000 1.239 197 A HN 0.863 nan 8.150 nan 0.000 0.435 198 R N 1.576 122.016 120.500 -0.100 0.000 2.590 198 R HA 0.379 4.715 4.340 -0.006 0.000 0.274 198 R C -1.125 175.137 176.300 -0.063 0.000 1.061 198 R CA 0.023 56.055 56.100 -0.113 0.000 1.081 198 R CB 0.376 30.571 30.300 -0.176 0.000 0.984 198 R HN 0.438 nan 8.270 nan 0.000 0.448 199 V N 5.913 125.789 119.914 -0.065 0.000 2.311 199 V HA 0.329 4.446 4.120 -0.006 0.000 0.275 199 V C 1.190 177.166 176.094 -0.197 0.000 1.022 199 V CA 0.363 62.612 62.300 -0.085 0.000 0.830 199 V CB 0.132 31.926 31.823 -0.049 0.000 1.012 199 V HN 1.191 nan 8.190 nan 0.000 0.452 200 G N 5.322 113.949 108.800 -0.288 0.000 2.591 200 G HA2 -0.359 3.597 3.960 -0.006 0.000 0.298 200 G HA3 -0.359 3.597 3.960 -0.006 0.000 0.298 200 G C 1.284 176.061 174.900 -0.204 0.000 1.195 200 G CA 0.924 45.856 45.100 -0.280 0.000 0.989 200 G HN 1.371 nan 8.290 nan 0.000 0.551 201 S N 0.475 116.086 115.700 -0.148 0.000 2.474 201 S HA 0.320 4.787 4.470 -0.006 0.000 0.235 201 S C 2.510 177.053 174.600 -0.095 0.000 0.997 201 S CA 1.718 59.855 58.200 -0.106 0.000 0.949 201 S CB 0.039 63.196 63.200 -0.072 0.000 0.766 201 S HN 2.863 nan 8.310 nan 0.000 0.517 202 G N 0.881 109.617 108.800 -0.106 0.000 2.254 202 G HA2 -0.094 3.863 3.960 -0.006 0.000 0.225 202 G HA3 -0.094 3.863 3.960 -0.006 0.000 0.225 202 G C 0.353 175.211 174.900 -0.070 0.000 1.003 202 G CA -0.067 44.981 45.100 -0.087 0.000 0.622 202 G HN 1.340 nan 8.290 nan 0.000 0.507 203 A N 0.059 122.841 122.820 -0.063 0.000 2.507 203 A HA 0.608 4.924 4.320 -0.006 0.000 0.235 203 A C 2.003 179.550 177.584 -0.062 0.000 1.070 203 A CA 2.404 54.410 52.037 -0.052 0.000 0.768 203 A CB -0.018 18.955 19.000 -0.045 0.000 1.011 203 A HN 2.467 nan 8.150 nan 0.000 0.502 204 G N -0.379 108.388 108.800 -0.056 0.000 2.231 204 G HA2 0.247 4.204 3.960 -0.006 0.000 0.206 204 G HA3 0.247 4.204 3.960 -0.006 0.000 0.206 204 G C 1.583 176.441 174.900 -0.071 0.000 0.996 204 G CA 0.773 45.836 45.100 -0.062 0.000 0.645 204 G HN 2.732 nan 8.290 nan 0.000 0.498 205 G N -0.645 108.109 108.800 -0.076 0.000 2.153 205 G HA2 0.264 4.221 3.960 -0.006 0.000 0.252 205 G HA3 0.264 4.221 3.960 -0.006 0.000 0.252 205 G C 0.549 175.365 174.900 -0.141 0.000 0.994 205 G CA 1.305 46.349 45.100 -0.094 0.000 0.698 205 G HN 2.337 nan 8.290 nan 0.000 0.521 206 A N -0.611 122.125 122.820 -0.141 0.000 2.401 206 A HA 0.913 5.230 4.320 -0.006 0.000 0.310 206 A C -0.429 177.039 177.584 -0.193 0.000 1.075 206 A CA -0.632 51.302 52.037 -0.171 0.000 0.746 206 A CB 1.527 20.452 19.000 -0.124 0.000 1.277 206 A HN 0.771 nan 8.150 nan 0.000 0.425 207 L N 1.114 122.183 121.223 -0.257 0.000 2.362 207 L HA 0.659 4.996 4.340 -0.006 0.000 0.271 207 L C -0.053 176.666 176.870 -0.250 0.000 1.002 207 L CA -0.876 53.811 54.840 -0.255 0.000 0.818 207 L CB 2.163 44.003 42.059 -0.364 0.000 1.298 207 L HN 0.800 nan 8.230 nan 0.000 0.420 208 R N 1.958 122.321 120.500 -0.229 0.000 2.368 208 R HA 0.365 4.701 4.340 -0.006 0.000 0.302 208 R C -0.871 175.206 176.300 -0.372 0.000 1.002 208 R CA -0.235 55.654 56.100 -0.353 0.000 0.929 208 R CB 1.263 31.238 30.300 -0.542 0.000 1.073 208 R HN 0.564 nan 8.270 nan 0.000 0.464 209 Q N 3.647 123.194 119.800 -0.422 0.000 2.322 209 Q HA 0.395 4.732 4.340 -0.006 0.000 0.265 209 Q C -1.384 174.401 176.000 -0.359 0.000 0.985 209 Q CA -0.484 55.190 55.803 -0.216 0.000 0.849 209 Q CB 0.825 29.548 28.738 -0.025 0.000 1.274 209 Q HN 0.519 nan 8.270 nan 0.000 0.449 210 F N 2.908 122.879 119.950 0.036 0.000 2.579 210 F HA 0.656 5.180 4.527 -0.006 0.000 0.324 210 F C -0.191 175.810 175.800 0.334 0.000 1.058 210 F CA -0.936 57.166 58.000 0.170 0.000 0.944 210 F CB 1.742 40.834 39.000 0.152 0.000 1.245 210 F HN 0.435 nan 8.300 nan 0.000 0.477 211 I N 0.827 121.745 120.570 0.580 0.000 2.752 211 I HA 0.429 4.595 4.170 -0.006 0.000 0.295 211 I C -1.349 174.818 176.117 0.083 0.000 1.219 211 I CA -0.207 61.310 61.300 0.362 0.000 1.030 211 I CB 2.031 40.140 38.000 0.182 0.000 1.259 211 I HN 0.546 nan 8.210 nan 0.000 0.423 212 S N 6.021 121.470 115.700 -0.419 0.000 2.503 212 S HA 0.609 5.075 4.470 -0.006 0.000 0.301 212 S C 0.113 174.508 174.600 -0.342 0.000 1.087 212 S CA -0.645 57.099 58.200 -0.760 0.000 1.042 212 S CB 1.485 63.675 63.200 -1.682 0.000 1.043 212 S HN 0.637 nan 8.310 nan 0.000 0.489 213 L N 2.655 123.732 121.223 -0.244 0.000 2.693 213 L HA 0.369 4.705 4.340 -0.006 0.000 0.235 213 L C -0.088 176.715 176.870 -0.112 0.000 1.127 213 L CA -0.042 54.721 54.840 -0.127 0.000 0.914 213 L CB 0.005 42.018 42.059 -0.077 0.000 1.193 213 L HN 0.655 nan 8.230 nan 0.000 0.502 214 D N -2.821 117.482 120.400 -0.163 0.000 2.895 214 D HA 0.094 4.730 4.640 -0.006 0.000 0.350 214 D C -0.135 176.118 176.300 -0.078 0.000 1.389 214 D CA -0.472 53.466 54.000 -0.103 0.000 0.812 214 D CB 0.097 40.839 40.800 -0.097 0.000 1.164 214 D HN -0.182 nan 8.370 nan 0.000 0.455 215 D N 0.223 120.598 120.400 -0.043 0.000 2.772 215 D HA -0.112 4.524 4.640 -0.006 0.000 0.233 215 D C 1.391 177.786 176.300 0.158 0.000 1.143 215 D CA 1.842 55.905 54.000 0.104 0.000 0.700 215 D CB -1.293 39.576 40.800 0.116 0.000 1.076 215 D HN 0.758 nan 8.370 nan 0.000 0.430 216 G N -2.115 106.615 108.800 -0.116 0.000 2.175 216 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.244 216 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.244 216 G C 1.306 176.119 174.900 -0.145 0.000 0.982 216 G CA 0.681 45.666 45.100 -0.191 0.000 0.641 216 G HN 0.841 nan 8.290 nan 0.000 0.527 217 G N -0.138 108.574 108.800 -0.146 0.000 2.421 217 G HA2 0.310 4.266 3.960 -0.006 0.000 0.216 217 G HA3 0.310 4.266 3.960 -0.006 0.000 0.216 217 G C 0.939 175.791 174.900 -0.080 0.000 1.171 217 G CA 2.325 47.382 45.100 -0.073 0.000 0.775 217 G HN 1.778 nan 8.290 nan 0.000 0.543 218 T N -4.150 110.269 114.554 -0.224 0.000 2.906 218 T HA 0.589 4.935 4.350 -0.006 0.000 0.295 218 T C -1.707 172.769 174.700 -0.374 0.000 1.075 218 T CA -1.024 60.998 62.100 -0.130 0.000 1.005 218 T CB 2.298 71.129 68.868 -0.061 0.000 1.136 218 T HN 0.209 nan 8.240 nan 0.000 0.498 219 W N 0.223 121.543 121.300 0.032 0.000 3.022 219 W HA 0.593 5.250 4.660 -0.005 0.000 0.335 219 W C -0.683 175.921 176.519 0.141 0.000 1.133 219 W CA -0.609 56.790 57.345 0.090 0.000 1.219 219 W CB 2.544 32.045 29.460 0.069 0.000 1.409 219 W HN 0.742 nan 8.180 nan 0.000 0.507 220 T N 1.515 116.311 114.554 0.402 0.000 2.807 220 T HA 0.144 4.490 4.350 -0.006 0.000 0.279 220 T C -1.077 173.831 174.700 0.348 0.000 0.993 220 T CA -0.580 61.699 62.100 0.300 0.000 0.970 220 T CB 1.287 70.249 68.868 0.158 0.000 0.950 220 T HN 0.238 nan 8.240 nan 0.000 0.441 221 D N 2.245 122.796 120.400 0.252 0.000 2.338 221 D HA 0.102 4.739 4.640 -0.006 0.000 0.255 221 D C 0.791 177.018 176.300 -0.121 0.000 1.237 221 D CA 0.027 53.986 54.000 -0.068 0.000 0.883 221 D CB 0.943 41.743 40.800 0.000 0.000 1.087 221 D HN 0.464 nan 8.370 nan 0.000 0.485 222 Q N 2.292 121.968 119.800 -0.206 0.000 2.360 222 Q HA 0.319 4.655 4.340 -0.006 0.000 0.202 222 Q C 0.964 176.892 176.000 -0.121 0.000 0.915 222 Q CA 0.102 55.848 55.803 -0.096 0.000 0.943 222 Q CB 0.686 29.409 28.738 -0.026 0.000 1.064 222 Q HN 0.734 nan 8.270 nan 0.000 0.511 223 G N 1.274 109.939 108.800 -0.224 0.000 2.466 223 G HA2 -0.181 3.775 3.960 -0.006 0.000 0.316 223 G HA3 -0.181 3.775 3.960 -0.006 0.000 0.316 223 G C -1.120 173.660 174.900 -0.199 0.000 1.270 223 G CA -0.996 44.002 45.100 -0.170 0.000 0.982 223 G HN 0.145 nan 8.290 nan 0.000 0.506 224 N N -0.140 118.475 118.700 -0.141 0.000 2.520 224 N HA 0.362 5.098 4.740 -0.006 0.000 0.273 224 N C 0.768 176.190 175.510 -0.146 0.000 1.155 224 N CA -0.216 52.739 53.050 -0.158 0.000 0.967 224 N CB 1.493 39.903 38.487 -0.128 0.000 1.092 224 N HN 0.658 nan 8.380 nan 0.000 0.457 225 V N 2.438 122.212 119.914 -0.233 0.000 2.583 225 V HA -0.069 4.047 4.120 -0.006 0.000 0.302 225 V C 0.551 176.500 176.094 -0.243 0.000 1.033 225 V CA 0.721 62.815 62.300 -0.342 0.000 1.194 225 V CB -0.473 30.903 31.823 -0.744 0.000 0.879 225 V HN 0.607 nan 8.190 nan 0.000 0.482 226 T N 5.004 119.541 114.554 -0.028 0.000 2.879 226 T HA 0.736 5.083 4.350 -0.006 0.000 0.290 226 T C -0.051 174.719 174.700 0.117 0.000 0.993 226 T CA -0.028 62.080 62.100 0.014 0.000 0.975 226 T CB 1.736 70.621 68.868 0.028 0.000 0.981 226 T HN 0.953 nan 8.240 nan 0.000 0.439 227 A N 2.034 124.874 122.820 0.033 0.000 2.387 227 A HA 0.652 4.969 4.320 -0.006 0.000 0.298 227 A C 1.219 178.804 177.584 0.002 0.000 1.165 227 A CA -0.681 51.386 52.037 0.050 0.000 0.814 227 A CB 1.252 20.268 19.000 0.027 0.000 1.357 227 A HN 0.817 nan 8.150 nan 0.000 0.443 228 Q N -0.094 119.704 119.800 -0.004 0.000 2.079 228 Q HA -0.083 4.253 4.340 -0.006 0.000 0.200 228 Q C -0.416 175.566 176.000 -0.029 0.000 0.974 228 Q CA 1.313 57.112 55.803 -0.007 0.000 0.840 228 Q CB 0.023 28.768 28.738 0.011 0.000 0.898 228 Q HN 0.665 nan 8.270 nan 0.000 0.430 229 N N 0.604 119.277 118.700 -0.046 0.000 2.564 229 N HA 0.238 4.974 4.740 -0.006 0.000 0.248 229 N C -0.641 174.809 175.510 -0.099 0.000 0.986 229 N CA 0.095 53.099 53.050 -0.076 0.000 0.921 229 N CB 1.644 40.080 38.487 -0.085 0.000 1.136 229 N HN 0.271 nan 8.380 nan 0.000 0.509 230 G N 0.642 109.381 108.800 -0.102 0.000 2.666 230 G HA2 0.135 4.091 3.960 -0.006 0.000 0.207 230 G HA3 0.135 4.091 3.960 -0.006 0.000 0.207 230 G C -0.389 174.429 174.900 -0.136 0.000 1.481 230 G CA -0.124 44.902 45.100 -0.124 0.000 1.071 230 G HN 0.401 nan 8.290 nan 0.000 0.572 231 D N -0.746 119.578 120.400 -0.127 0.000 2.891 231 D HA 0.416 5.053 4.640 -0.006 0.000 0.312 231 D C 0.705 176.962 176.300 -0.071 0.000 1.354 231 D CA 0.468 54.410 54.000 -0.096 0.000 0.838 231 D CB 0.922 41.685 40.800 -0.061 0.000 1.117 231 D HN 0.418 nan 8.370 nan 0.000 0.473 232 S N 0.083 115.738 115.700 -0.074 0.000 3.927 232 S HA -0.318 4.148 4.470 -0.006 0.000 0.618 232 S C 1.299 175.864 174.600 -0.058 0.000 2.201 232 S CA 2.165 60.329 58.200 -0.060 0.000 4.160 232 S CB -1.157 62.014 63.200 -0.049 0.000 0.266 232 S HN 0.498 nan 8.310 nan 0.000 0.760 233 T N -0.191 114.335 114.554 -0.047 0.000 3.223 233 T HA 0.403 4.750 4.350 -0.006 0.000 0.259 233 T C -0.195 174.481 174.700 -0.040 0.000 1.015 233 T CA 0.276 62.348 62.100 -0.046 0.000 0.908 233 T CB -0.387 68.458 68.868 -0.040 0.000 1.054 233 T HN 0.479 nan 8.240 nan 0.000 0.567 234 D N 1.878 122.258 120.400 -0.034 0.000 2.390 234 D HA 0.144 4.781 4.640 -0.006 0.000 0.236 234 D C 0.445 176.736 176.300 -0.015 0.000 1.189 234 D CA -0.220 53.769 54.000 -0.017 0.000 0.887 234 D CB 0.616 41.424 40.800 0.013 0.000 1.198 234 D HN 0.380 nan 8.370 nan 0.000 0.444 235 I N 1.616 122.182 120.570 -0.007 0.000 2.505 235 I HA -0.031 4.136 4.170 -0.006 0.000 0.287 235 I C -0.317 175.815 176.117 0.025 0.000 1.104 235 I CA -0.201 61.096 61.300 -0.005 0.000 1.387 235 I CB 0.128 38.127 38.000 -0.001 0.000 1.404 235 I HN -0.047 nan 8.210 nan 0.000 0.528 236 L N 8.724 129.950 121.223 0.005 0.000 2.325 236 L HA 0.571 4.908 4.340 -0.006 0.000 0.281 236 L C -0.068 176.799 176.870 -0.004 0.000 1.004 236 L CA -0.512 54.353 54.840 0.043 0.000 0.823 236 L CB 1.582 43.615 42.059 -0.044 0.000 1.236 236 L HN 0.388 nan 8.230 nan 0.000 0.415 237 V N 0.868 120.792 119.914 0.017 0.000 3.102 237 V HA 0.955 5.071 4.120 -0.006 0.000 0.312 237 V C 0.386 176.419 176.094 -0.102 0.000 1.135 237 V CA -0.952 61.298 62.300 -0.083 0.000 1.022 237 V CB 1.572 33.313 31.823 -0.136 0.000 1.056 237 V HN 1.200 nan 8.190 nan 0.000 0.436 238 A N 1.451 124.162 122.820 -0.182 0.000 2.362 238 A HA -0.057 4.259 4.320 -0.006 0.000 0.290 238 A C -1.561 176.071 177.584 0.080 0.000 1.441 238 A CA 0.746 52.716 52.037 -0.111 0.000 0.743 238 A CB -2.275 16.402 19.000 -0.538 0.000 1.125 238 A HN 1.010 nan 8.150 nan 0.000 0.378 239 P HA 0.448 nan 4.420 nan 0.000 0.272 239 P C 0.002 177.409 177.300 0.179 0.000 1.223 239 P CA 0.559 63.737 63.100 0.130 0.000 0.784 239 P CB 1.337 33.057 31.700 0.032 0.000 0.923 240 S N 0.931 116.744 115.700 0.189 0.000 2.556 240 S HA 0.720 5.187 4.470 -0.006 0.000 0.271 240 S C -1.068 173.645 174.600 0.188 0.000 1.135 240 S CA -0.866 57.449 58.200 0.191 0.000 0.858 240 S CB 1.013 64.338 63.200 0.208 0.000 1.114 240 S HN 0.285 nan 8.310 nan 0.000 0.468 241 L N 1.401 122.728 121.223 0.173 0.000 2.370 241 L HA 0.810 5.146 4.340 -0.006 0.000 0.266 241 L C -0.359 176.619 176.870 0.180 0.000 1.002 241 L CA -0.476 54.480 54.840 0.194 0.000 0.818 241 L CB 2.446 44.617 42.059 0.187 0.000 1.325 241 L HN 0.799 nan 8.230 nan 0.000 0.418 242 S N 0.223 116.041 115.700 0.197 0.000 2.569 242 S HA 0.533 5.000 4.470 -0.006 0.000 0.280 242 S C -1.728 173.015 174.600 0.238 0.000 1.111 242 S CA -0.498 57.812 58.200 0.185 0.000 0.887 242 S CB 1.962 65.234 63.200 0.121 0.000 1.095 242 S HN 0.412 nan 8.310 nan 0.000 0.476 243 Y N 3.105 123.470 120.300 0.109 0.000 2.335 243 Y HA 0.702 5.248 4.550 -0.006 0.000 0.338 243 Y C -0.732 175.245 175.900 0.129 0.000 0.977 243 Y CA -0.810 57.368 58.100 0.129 0.000 1.114 243 Y CB 0.427 38.967 38.460 0.133 0.000 1.182 243 Y HN 0.654 nan 8.280 nan 0.000 0.463 244 I N 3.484 123.869 120.570 -0.308 0.000 3.074 244 I HA 0.723 4.890 4.170 -0.006 0.000 0.310 244 I C -1.894 174.066 176.117 -0.262 0.000 1.153 244 I CA -1.425 59.734 61.300 -0.235 0.000 0.993 244 I CB 2.217 40.142 38.000 -0.127 0.000 1.237 244 I HN 0.482 nan 8.210 nan 0.000 0.443 245 Y N 0.717 120.917 120.300 -0.168 0.000 2.524 245 Y HA 0.832 5.378 4.550 -0.006 0.000 0.347 245 Y C 0.070 175.981 175.900 0.020 0.000 1.005 245 Y CA -0.881 57.174 58.100 -0.076 0.000 1.025 245 Y CB 0.659 39.077 38.460 -0.070 0.000 1.275 245 Y HN 0.887 nan 8.280 nan 0.000 0.460 246 S N 0.738 116.575 115.700 0.230 0.000 2.633 246 S HA 0.061 4.527 4.470 -0.006 0.000 0.257 246 S C 0.972 175.661 174.600 0.148 0.000 1.265 246 S CA 0.187 58.480 58.200 0.154 0.000 0.980 246 S CB 0.505 63.831 63.200 0.209 0.000 1.017 246 S HN 0.961 nan 8.310 nan 0.000 0.577 247 E N -0.360 119.908 120.200 0.115 0.000 2.265 247 E HA 0.006 4.353 4.350 -0.006 0.000 0.196 247 E C 1.214 177.885 176.600 0.119 0.000 0.996 247 E CA 0.992 57.449 56.400 0.094 0.000 0.832 247 E CB -0.648 29.092 29.700 0.068 0.000 0.756 247 E HN 0.762 nan 8.360 nan 0.000 0.491 248 G N -0.308 108.575 108.800 0.137 0.000 3.519 248 G HA2 0.390 4.347 3.960 -0.006 0.000 0.269 248 G HA3 0.390 4.347 3.960 -0.006 0.000 0.269 248 G C 0.840 175.817 174.900 0.128 0.000 1.028 248 G CA -0.094 45.078 45.100 0.120 0.000 0.809 248 G HN 0.488 nan 8.290 nan 0.000 0.521 249 G N -0.276 108.640 108.800 0.195 0.000 2.179 249 G HA2 -0.244 3.713 3.960 -0.006 0.000 0.220 249 G HA3 -0.244 3.713 3.960 -0.006 0.000 0.220 249 G C 0.342 175.308 174.900 0.111 0.000 0.990 249 G CA 0.102 45.297 45.100 0.158 0.000 0.646 249 G HN 0.554 nan 8.290 nan 0.000 0.517 250 T N 3.929 118.563 114.554 0.134 0.000 2.799 250 T HA 0.483 4.829 4.350 -0.006 0.000 0.296 250 T C -2.186 172.552 174.700 0.064 0.000 0.947 250 T CA -0.187 61.951 62.100 0.064 0.000 1.141 250 T CB 1.734 70.647 68.868 0.074 0.000 0.891 250 T HN 0.222 nan 8.240 nan 0.000 0.533 251 P HA 0.354 nan 4.420 nan 0.000 0.290 251 P C -0.597 176.524 177.300 -0.299 0.000 1.276 251 P CA -0.472 62.547 63.100 -0.134 0.000 0.808 251 P CB 0.856 32.521 31.700 -0.059 0.000 0.966 252 H N -0.142 118.812 119.070 -0.193 0.000 2.865 252 H HA 0.467 5.020 4.556 -0.006 0.000 0.372 252 H C -0.745 174.511 175.328 -0.120 0.000 1.173 252 H CA -1.010 54.957 56.048 -0.134 0.000 1.147 252 H CB 2.263 31.970 29.762 -0.092 0.000 1.805 252 H HN 0.086 nan 8.280 nan 0.000 0.553 253 V N 2.249 122.203 119.914 0.065 0.000 2.513 253 V HA 0.239 4.355 4.120 -0.006 0.000 0.299 253 V C -0.135 176.077 176.094 0.198 0.000 1.035 253 V CA -0.718 61.659 62.300 0.127 0.000 0.889 253 V CB 1.983 33.875 31.823 0.115 0.000 0.988 253 V HN 0.393 nan 8.190 nan 0.000 0.440 254 V N 5.610 125.674 119.914 0.249 0.000 2.448 254 V HA 0.462 4.578 4.120 -0.006 0.000 0.295 254 V C -0.520 175.798 176.094 0.374 0.000 1.025 254 V CA -0.586 61.893 62.300 0.299 0.000 0.859 254 V CB 1.623 33.523 31.823 0.129 0.000 0.988 254 V HN 0.656 nan 8.190 nan 0.000 0.431 255 L N 6.743 128.263 121.223 0.494 0.000 2.287 255 L HA 0.679 5.015 4.340 -0.006 0.000 0.287 255 L C -0.853 176.253 176.870 0.394 0.000 1.022 255 L CA 0.076 55.139 54.840 0.371 0.000 0.814 255 L CB 1.183 43.340 42.059 0.162 0.000 1.217 255 L HN 0.498 nan 8.230 nan 0.000 0.420 256 L N 6.614 128.036 121.223 0.332 0.000 2.322 256 L HA 0.656 4.992 4.340 -0.006 0.000 0.279 256 L C -0.767 176.306 176.870 0.338 0.000 1.036 256 L CA -0.153 54.877 54.840 0.317 0.000 0.807 256 L CB 1.471 43.694 42.059 0.274 0.000 1.226 256 L HN 0.701 nan 8.230 nan 0.000 0.433 257 Y N -1.082 119.296 120.300 0.131 0.000 2.656 257 Y HA 0.732 5.278 4.550 -0.006 0.000 0.334 257 Y C -1.032 174.917 175.900 0.081 0.000 1.179 257 Y CA -1.247 56.898 58.100 0.074 0.000 1.050 257 Y CB 1.118 39.591 38.460 0.022 0.000 1.308 257 Y HN 0.359 nan 8.280 nan 0.000 0.456 258 T N 2.898 117.516 114.554 0.108 0.000 2.797 258 T HA 0.296 4.643 4.350 -0.006 0.000 0.279 258 T C -1.086 173.690 174.700 0.127 0.000 0.991 258 T CA -0.730 61.374 62.100 0.008 0.000 0.979 258 T CB 0.702 69.567 68.868 -0.005 0.000 0.943 258 T HN 0.642 nan 8.240 nan 0.000 0.444 259 N N 2.206 120.967 118.700 0.100 0.000 2.501 259 N HA 0.185 4.922 4.740 -0.006 0.000 0.245 259 N C 0.610 176.156 175.510 0.060 0.000 0.974 259 N CA -0.558 52.604 53.050 0.186 0.000 0.941 259 N CB 0.737 39.466 38.487 0.403 0.000 1.122 259 N HN 0.464 nan 8.380 nan 0.000 0.507 260 R N 1.538 122.064 120.500 0.042 0.000 2.310 260 R HA 0.087 4.423 4.340 -0.006 0.000 0.202 260 R C 0.684 176.930 176.300 -0.090 0.000 0.933 260 R CA 0.408 56.526 56.100 0.031 0.000 1.054 260 R CB 0.365 30.707 30.300 0.070 0.000 0.985 260 R HN 0.466 nan 8.270 nan 0.000 0.489 261 T N -0.418 114.050 114.554 -0.143 0.000 2.953 261 T HA -0.080 4.267 4.350 -0.006 0.000 0.247 261 T C 1.972 176.379 174.700 -0.489 0.000 1.029 261 T CA 1.585 63.539 62.100 -0.243 0.000 1.144 261 T CB 0.078 68.893 68.868 -0.089 0.000 0.870 261 T HN 0.366 nan 8.240 nan 0.000 0.446 262 T N -0.714 113.696 114.554 -0.240 0.000 3.088 262 T HA -0.031 4.315 4.350 -0.006 0.000 0.259 262 T C 0.306 174.896 174.700 -0.183 0.000 1.122 262 T CA 0.265 62.302 62.100 -0.105 0.000 1.095 262 T CB -0.329 68.701 68.868 0.270 0.000 0.930 262 T HN 0.530 nan 8.240 nan 0.000 0.508 263 H N 0.111 119.162 119.070 -0.032 0.000 2.882 263 H HA -0.115 4.437 4.556 -0.006 0.000 0.314 263 H C -0.905 174.056 175.328 -0.610 0.000 1.270 263 H CA 0.613 56.502 56.048 -0.264 0.000 1.165 263 H CB -2.659 26.912 29.762 -0.318 0.000 1.436 263 H HN 0.494 nan 8.280 nan 0.000 0.431 264 F N -0.876 118.939 119.950 -0.224 0.000 2.578 264 F HA 0.337 4.861 4.527 -0.005 0.000 0.311 264 F C 0.405 175.809 175.800 -0.659 0.000 1.094 264 F CA -0.765 56.928 58.000 -0.512 0.000 0.923 264 F CB 1.452 39.924 39.000 -0.879 0.000 1.230 264 F HN 0.255 nan 8.300 nan 0.000 0.450 265 C N 3.922 123.005 119.300 -0.361 0.000 2.435 265 C HA 0.682 5.138 4.460 -0.006 0.000 0.375 265 C C -0.743 173.924 174.990 -0.537 0.000 1.281 265 C CA -0.463 58.325 59.018 -0.383 0.000 1.963 265 C CB -1.166 26.421 27.740 -0.255 0.000 2.490 265 C HN 0.714 nan 8.230 nan 0.000 0.557 266 Y N 3.441 123.488 120.300 -0.422 0.000 2.602 266 Y HA 0.624 5.171 4.550 -0.006 0.000 0.342 266 Y C -0.205 175.556 175.900 -0.232 0.000 1.029 266 Y CA -0.774 57.078 58.100 -0.414 0.000 1.080 266 Y CB 1.405 39.472 38.460 -0.655 0.000 1.284 266 Y HN 0.736 nan 8.280 nan 0.000 0.485 267 Y N -1.223 119.126 120.300 0.083 0.000 2.570 267 Y HA 0.911 5.458 4.550 -0.006 0.000 0.345 267 Y C -1.140 174.891 175.900 0.217 0.000 1.014 267 Y CA -1.676 56.523 58.100 0.165 0.000 1.063 267 Y CB 1.569 40.125 38.460 0.160 0.000 1.272 267 Y HN 0.544 nan 8.280 nan 0.000 0.477 268 R N 0.340 121.092 120.500 0.421 0.000 2.855 268 R HA 0.723 5.060 4.340 -0.006 0.000 0.266 268 R C -1.081 175.573 176.300 0.591 0.000 1.034 268 R CA -0.823 55.489 56.100 0.353 0.000 0.944 268 R CB 2.319 32.814 30.300 0.326 0.000 1.219 268 R HN 0.975 nan 8.270 nan 0.000 0.474 269 T N -1.712 113.122 114.554 0.465 0.000 2.907 269 T HA 0.767 5.114 4.350 -0.006 0.000 0.290 269 T C -0.507 174.256 174.700 0.104 0.000 1.066 269 T CA -0.775 61.531 62.100 0.344 0.000 1.012 269 T CB 1.570 70.570 68.868 0.220 0.000 1.184 269 T HN 0.533 nan 8.240 nan 0.000 0.522 270 I N 0.543 121.008 120.570 -0.175 0.000 2.841 270 I HA 0.437 4.604 4.170 -0.006 0.000 0.298 270 I C -1.349 174.631 176.117 -0.228 0.000 1.304 270 I CA -1.642 59.397 61.300 -0.434 0.000 1.019 270 I CB 1.901 39.122 38.000 -1.299 0.000 1.282 270 I HN 0.757 nan 8.210 nan 0.000 0.432 271 L N 6.113 127.199 121.223 -0.228 0.000 2.499 271 L HA -0.012 4.324 4.340 -0.006 0.000 0.273 271 L C 1.110 177.803 176.870 -0.294 0.000 1.195 271 L CA -0.068 54.556 54.840 -0.360 0.000 0.882 271 L CB 0.730 42.615 42.059 -0.290 0.000 1.133 271 L HN 0.654 nan 8.230 nan 0.000 0.483 272 L N 4.650 125.720 121.223 -0.255 0.000 2.043 272 L HA -0.234 4.102 4.340 -0.006 0.000 0.212 272 L C 2.474 179.279 176.870 -0.109 0.000 1.075 272 L CA 2.324 57.090 54.840 -0.124 0.000 0.752 272 L CB -0.626 41.421 42.059 -0.020 0.000 0.891 272 L HN 0.799 nan 8.230 nan 0.000 0.432 273 A N -0.724 122.024 122.820 -0.120 0.000 1.917 273 A HA -0.292 4.024 4.320 -0.006 0.000 0.219 273 A C 2.388 179.918 177.584 -0.089 0.000 1.182 273 A CA 2.284 54.270 52.037 -0.085 0.000 0.633 273 A CB -0.576 18.378 19.000 -0.077 0.000 0.819 273 A HN 0.556 nan 8.150 nan 0.000 0.448 274 K N -0.758 119.562 120.400 -0.132 0.000 2.025 274 K HA -0.004 4.312 4.320 -0.006 0.000 0.207 274 K C 2.357 178.873 176.600 -0.141 0.000 1.049 274 K CA 0.998 57.203 56.287 -0.136 0.000 0.933 274 K CB -0.325 32.065 32.500 -0.184 0.000 0.714 274 K HN 0.441 nan 8.250 nan 0.000 0.438 275 A N 1.047 123.751 122.820 -0.193 0.000 1.978 275 A HA -0.129 4.187 4.320 -0.006 0.000 0.220 275 A C 2.288 179.855 177.584 -0.028 0.000 1.170 275 A CA 1.388 53.341 52.037 -0.140 0.000 0.636 275 A CB -0.573 18.328 19.000 -0.165 0.000 0.810 275 A HN 0.086 nan 8.150 nan 0.000 0.448 276 V N -0.593 119.304 119.914 -0.028 0.000 2.515 276 V HA -0.167 3.949 4.120 -0.006 0.000 0.250 276 V C 2.902 178.996 176.094 0.000 0.000 1.058 276 V CA 1.734 64.034 62.300 0.000 0.000 1.064 276 V CB -0.809 31.012 31.823 -0.004 0.000 0.675 276 V HN 0.609 nan 8.190 nan 0.000 0.461 277 A N -1.153 121.657 122.820 -0.016 0.000 2.016 277 A HA 0.478 4.794 4.320 -0.006 0.000 0.217 277 A C 1.214 178.797 177.584 -0.002 0.000 1.162 277 A CA 1.416 53.447 52.037 -0.012 0.000 0.662 277 A CB -0.147 18.840 19.000 -0.022 0.000 0.812 277 A HN 0.753 nan 8.150 nan 0.000 0.450 278 G N -2.130 106.671 108.800 0.002 0.000 2.323 278 G HA2 0.351 4.307 3.960 -0.006 0.000 0.291 278 G HA3 0.351 4.307 3.960 -0.006 0.000 0.291 278 G C 0.317 175.248 174.900 0.051 0.000 1.278 278 G CA 0.493 45.605 45.100 0.020 0.000 0.860 278 G HN 0.693 nan 8.290 nan 0.000 0.504 279 S N -1.292 114.453 115.700 0.076 0.000 2.556 279 S HA 0.403 4.869 4.470 -0.006 0.000 0.216 279 S C 1.119 175.870 174.600 0.252 0.000 0.970 279 S CA 0.984 59.292 58.200 0.180 0.000 0.912 279 S CB -0.192 63.055 63.200 0.078 0.000 0.790 279 S HN 1.781 nan 8.310 nan 0.000 0.504 280 S N -0.234 115.543 115.700 0.127 0.000 2.690 280 S HA 0.747 5.214 4.470 -0.006 0.000 0.291 280 S C 0.957 175.580 174.600 0.038 0.000 1.138 280 S CA -0.000 58.273 58.200 0.123 0.000 1.013 280 S CB 1.051 64.284 63.200 0.054 0.000 1.053 280 S HN 1.338 nan 8.310 nan 0.000 0.539 281 G N -0.466 108.355 108.800 0.035 0.000 2.184 281 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.206 281 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.206 281 G C -0.293 174.549 174.900 -0.097 0.000 0.995 281 G CA -0.429 44.629 45.100 -0.071 0.000 0.651 281 G HN 0.659 nan 8.290 nan 0.000 0.511 282 W N 2.049 123.322 121.300 -0.045 0.000 2.158 282 W HA 0.505 5.161 4.660 -0.006 0.000 0.339 282 W C 1.484 177.971 176.519 -0.053 0.000 1.294 282 W CA 0.714 58.040 57.345 -0.032 0.000 1.231 282 W CB 0.529 29.968 29.460 -0.034 0.000 1.143 282 W HN 0.341 nan 8.180 nan 0.000 0.571 283 T N -1.301 113.366 114.554 0.189 0.000 2.814 283 T HA 0.234 4.581 4.350 -0.006 0.000 0.284 283 T C 0.049 174.771 174.700 0.037 0.000 0.998 283 T CA -0.944 61.188 62.100 0.053 0.000 0.935 283 T CB 0.907 69.781 68.868 0.010 0.000 1.167 283 T HN 0.532 nan 8.240 nan 0.000 0.545 284 E N 0.548 120.722 120.200 -0.044 0.000 2.398 284 E HA 0.083 4.429 4.350 -0.006 0.000 0.263 284 E C 0.354 176.873 176.600 -0.134 0.000 1.046 284 E CA -0.848 55.500 56.400 -0.087 0.000 0.908 284 E CB 0.566 30.203 29.700 -0.104 0.000 0.963 284 E HN 0.679 nan 8.360 nan 0.000 0.431 285 R N 1.629 122.017 120.500 -0.187 0.000 2.490 285 R HA 0.297 4.633 4.340 -0.006 0.000 0.280 285 R C -1.063 175.072 176.300 -0.275 0.000 1.077 285 R CA -0.622 55.317 56.100 -0.269 0.000 1.065 285 R CB 0.854 30.843 30.300 -0.518 0.000 1.003 285 R HN 0.228 nan 8.270 nan 0.000 0.470 286 V N 4.273 123.988 119.914 -0.332 0.000 2.483 286 V HA 0.354 4.471 4.120 -0.006 0.000 0.297 286 V C -2.225 173.836 176.094 -0.055 0.000 1.027 286 V CA -2.358 59.771 62.300 -0.285 0.000 0.855 286 V CB 1.807 33.245 31.823 -0.641 0.000 0.995 286 V HN 0.850 nan 8.190 nan 0.000 0.424 287 P HA 0.158 nan 4.420 nan 0.000 0.276 287 P C 0.530 177.763 177.300 -0.113 0.000 1.243 287 P CA 0.102 63.109 63.100 -0.155 0.000 0.768 287 P CB 1.433 32.908 31.700 -0.375 0.000 0.856 288 V N 0.674 120.496 119.914 -0.152 0.000 3.661 288 V HA 0.421 4.537 4.120 -0.006 0.000 0.271 288 V C -0.143 175.772 176.094 -0.299 0.000 1.315 288 V CA 0.297 62.470 62.300 -0.211 0.000 1.072 288 V CB -0.946 30.690 31.823 -0.312 0.000 0.830 288 V HN 0.395 nan 8.190 nan 0.000 0.443 289 Y N 0.625 120.739 120.300 -0.310 0.000 2.521 289 Y HA 0.486 5.033 4.550 -0.005 0.000 0.326 289 Y C 0.211 175.997 175.900 -0.189 0.000 1.176 289 Y CA -0.363 57.575 58.100 -0.271 0.000 1.079 289 Y CB 1.804 40.011 38.460 -0.421 0.000 1.341 289 Y HN 0.230 nan 8.280 nan 0.000 0.456 290 S N 2.453 118.174 115.700 0.034 0.000 2.563 290 S HA 0.567 5.033 4.470 -0.006 0.000 0.284 290 S C -0.025 174.443 174.600 -0.219 0.000 1.331 290 S CA 0.096 58.126 58.200 -0.283 0.000 1.047 290 S CB 1.203 64.239 63.200 -0.274 0.000 0.859 290 S HN 1.115 nan 8.310 nan 0.000 0.514 291 A N 3.182 125.797 122.820 -0.343 0.000 3.127 291 A HA 0.558 4.875 4.320 -0.006 0.000 0.319 291 A C -2.753 174.726 177.584 -0.174 0.000 1.104 291 A CA -1.519 50.386 52.037 -0.220 0.000 0.802 291 A CB 0.552 19.458 19.000 -0.157 0.000 1.193 291 A HN 0.696 nan 8.150 nan 0.000 0.479 292 P HA 0.387 nan 4.420 nan 0.000 0.271 292 P C 0.956 178.180 177.300 -0.126 0.000 1.216 292 P CA 1.407 64.365 63.100 -0.236 0.000 0.776 292 P CB 1.445 32.998 31.700 -0.245 0.000 0.881 293 A N 3.825 126.566 122.820 -0.131 0.000 5.308 293 A HA -0.246 4.070 4.320 -0.006 0.000 0.321 293 A C 1.301 178.927 177.584 0.070 0.000 1.849 293 A CA 1.605 53.628 52.037 -0.023 0.000 0.713 293 A CB -2.284 16.695 19.000 -0.035 0.000 1.360 293 A HN 0.730 nan 8.150 nan 0.000 0.384 294 A N -0.274 122.607 122.820 0.102 0.000 2.840 294 A HA 0.581 4.898 4.320 -0.006 0.000 0.269 294 A C 0.807 178.594 177.584 0.339 0.000 1.439 294 A CA 1.161 53.316 52.037 0.196 0.000 1.083 294 A CB -0.967 18.140 19.000 0.179 0.000 1.019 294 A HN 1.171 nan 8.150 nan 0.000 0.607 295 S N -1.210 114.624 115.700 0.224 0.000 2.652 295 S HA 0.495 4.961 4.470 -0.006 0.000 0.267 295 S C 1.587 176.348 174.600 0.270 0.000 1.201 295 S CA 0.102 58.424 58.200 0.205 0.000 0.996 295 S CB 1.157 64.355 63.200 -0.003 0.000 1.054 295 S HN 0.603 nan 8.310 nan 0.000 0.561 296 G N -1.553 107.381 108.800 0.225 0.000 2.724 296 G HA2 0.233 4.190 3.960 -0.006 0.000 0.205 296 G HA3 0.233 4.190 3.960 -0.006 0.000 0.205 296 G C -0.789 174.440 174.900 0.548 0.000 1.112 296 G CA -0.305 44.981 45.100 0.310 0.000 0.793 296 G HN 0.638 nan 8.290 nan 0.000 0.526 297 Y N 1.164 121.685 120.300 0.369 0.000 2.953 297 Y HA -0.224 4.324 4.550 -0.005 0.000 0.113 297 Y C 0.903 177.033 175.900 0.383 0.000 1.985 297 Y CA 0.022 58.393 58.100 0.451 0.000 0.995 297 Y CB -2.542 36.287 38.460 0.614 0.000 1.624 297 Y HN 0.350 nan 8.280 nan 0.000 0.335 298 T N -1.006 113.759 114.554 0.350 0.000 2.899 298 T HA 0.830 5.176 4.350 -0.006 0.000 0.284 298 T C 0.339 175.183 174.700 0.241 0.000 1.004 298 T CA -0.123 62.145 62.100 0.279 0.000 1.043 298 T CB 2.408 71.436 68.868 0.268 0.000 1.013 298 T HN 0.917 nan 8.240 nan 0.000 0.518 299 S N 0.829 116.619 115.700 0.150 0.000 2.596 299 S HA 0.706 5.173 4.470 -0.006 0.000 0.270 299 S C -1.813 172.785 174.600 -0.005 0.000 1.155 299 S CA -1.157 57.101 58.200 0.096 0.000 0.827 299 S CB 1.859 65.115 63.200 0.092 0.000 1.130 299 S HN 0.739 nan 8.310 nan 0.000 0.467 300 Q N -0.048 119.750 119.800 -0.003 0.000 2.416 300 Q HA 0.800 5.136 4.340 -0.006 0.000 0.281 300 Q C -1.553 174.423 176.000 -0.039 0.000 1.067 300 Q CA -0.812 54.955 55.803 -0.060 0.000 0.809 300 Q CB 2.347 31.077 28.738 -0.013 0.000 1.418 300 Q HN 0.649 nan 8.270 nan 0.000 0.411 301 V N 1.073 120.943 119.914 -0.073 0.000 2.680 301 V HA 0.670 4.787 4.120 -0.006 0.000 0.309 301 V C -0.999 175.082 176.094 -0.022 0.000 1.052 301 V CA -0.773 61.506 62.300 -0.035 0.000 0.908 301 V CB 2.169 33.947 31.823 -0.075 0.000 1.001 301 V HN 0.584 nan 8.190 nan 0.000 0.431 302 V N 5.589 125.518 119.914 0.026 0.000 2.459 302 V HA 0.520 4.636 4.120 -0.006 0.000 0.295 302 V C -0.684 175.436 176.094 0.043 0.000 1.029 302 V CA -0.662 61.656 62.300 0.030 0.000 0.874 302 V CB 1.618 33.479 31.823 0.064 0.000 0.985 302 V HN 0.497 nan 8.190 nan 0.000 0.438 303 L N 3.301 124.541 121.223 0.029 0.000 2.325 303 L HA 0.751 5.088 4.340 -0.006 0.000 0.278 303 L C 1.146 178.022 176.870 0.011 0.000 1.023 303 L CA 0.622 55.487 54.840 0.041 0.000 0.811 303 L CB 0.920 43.013 42.059 0.058 0.000 1.249 303 L HN 0.925 nan 8.230 nan 0.000 0.431 304 G N 2.226 111.036 108.800 0.016 0.000 2.233 304 G HA2 -0.131 3.825 3.960 -0.006 0.000 0.270 304 G HA3 -0.131 3.825 3.960 -0.006 0.000 0.270 304 G C 1.000 175.816 174.900 -0.140 0.000 1.011 304 G CA 0.801 45.887 45.100 -0.024 0.000 0.762 304 G HN 1.637 nan 8.290 nan 0.000 0.511 305 G N -1.096 107.621 108.800 -0.137 0.000 2.166 305 G HA2 -0.342 3.614 3.960 -0.006 0.000 0.260 305 G HA3 -0.342 3.614 3.960 -0.006 0.000 0.260 305 G C 0.855 175.533 174.900 -0.371 0.000 0.986 305 G CA 1.534 46.421 45.100 -0.354 0.000 0.683 305 G HN 1.316 nan 8.290 nan 0.000 0.527 306 R N -1.032 119.353 120.500 -0.192 0.000 2.725 306 R HA 0.196 4.532 4.340 -0.006 0.000 0.207 306 R C 0.892 177.153 176.300 -0.065 0.000 0.924 306 R CA 0.290 56.302 56.100 -0.146 0.000 1.098 306 R CB 0.647 30.872 30.300 -0.124 0.000 1.602 306 R HN 0.250 nan 8.270 nan 0.000 0.615 307 R N 1.631 122.108 120.500 -0.039 0.000 2.407 307 R HA 0.380 4.717 4.340 -0.006 0.000 0.298 307 R C -1.317 174.969 176.300 -0.023 0.000 1.166 307 R CA -0.348 55.751 56.100 -0.003 0.000 1.006 307 R CB 0.661 30.979 30.300 0.030 0.000 1.145 307 R HN 0.030 nan 8.270 nan 0.000 0.538 308 I N 5.863 126.397 120.570 -0.060 0.000 2.371 308 I HA 0.199 4.365 4.170 -0.006 0.000 0.290 308 I C -0.184 175.845 176.117 -0.147 0.000 1.028 308 I CA -0.473 60.770 61.300 -0.095 0.000 1.345 308 I CB 1.123 39.053 38.000 -0.117 0.000 1.407 308 I HN 0.441 nan 8.210 nan 0.000 0.501 309 L N 6.309 127.432 121.223 -0.167 0.000 2.307 309 L HA 0.716 5.052 4.340 -0.006 0.000 0.284 309 L C 0.395 177.021 176.870 -0.406 0.000 1.023 309 L CA -0.450 54.239 54.840 -0.251 0.000 0.810 309 L CB 1.592 43.541 42.059 -0.184 0.000 1.231 309 L HN 0.657 nan 8.230 nan 0.000 0.423 310 G N 1.437 109.767 108.800 -0.783 0.000 2.569 310 G HA2 0.536 4.493 3.960 -0.006 0.000 0.300 310 G HA3 0.536 4.493 3.960 -0.006 0.000 0.300 310 G C -1.805 172.455 174.900 -1.066 0.000 1.269 310 G CA -0.489 43.894 45.100 -1.196 0.000 0.959 310 G HN 0.553 nan 8.290 nan 0.000 0.478 311 N N -0.900 117.475 118.700 -0.541 0.000 2.264 311 N HA 0.697 5.433 4.740 -0.006 0.000 0.288 311 N C -0.685 174.819 175.510 -0.011 0.000 1.094 311 N CA -0.791 52.103 53.050 -0.258 0.000 0.817 311 N CB 2.155 40.441 38.487 -0.335 0.000 1.604 311 N HN 0.720 nan 8.380 nan 0.000 0.473 312 L N -1.308 119.861 121.223 -0.089 0.000 2.322 312 L HA 0.797 5.134 4.340 -0.006 0.000 0.252 312 L C -1.430 175.123 176.870 -0.528 0.000 1.055 312 L CA -0.900 53.856 54.840 -0.141 0.000 0.849 312 L CB 1.453 43.507 42.059 -0.008 0.000 1.446 312 L HN 0.340 nan 8.230 nan 0.000 0.416 313 F N -0.205 119.651 119.950 -0.158 0.000 2.480 313 F HA 0.738 5.262 4.527 -0.005 0.000 0.329 313 F C 0.058 175.629 175.800 -0.382 0.000 1.091 313 F CA -0.435 57.328 58.000 -0.395 0.000 0.972 313 F CB 1.999 40.480 39.000 -0.865 0.000 1.150 313 F HN 0.340 nan 8.300 nan 0.000 0.467 314 R N 1.343 121.755 120.500 -0.147 0.000 2.628 314 R HA 0.337 4.673 4.340 -0.006 0.000 0.288 314 R C -1.095 175.101 176.300 -0.173 0.000 0.980 314 R CA -1.047 54.910 56.100 -0.240 0.000 0.891 314 R CB 2.341 32.315 30.300 -0.545 0.000 1.188 314 R HN 0.622 nan 8.270 nan 0.000 0.450 315 E N 0.883 121.002 120.200 -0.135 0.000 2.338 315 E HA 0.027 4.374 4.350 -0.006 0.000 0.272 315 E C 0.485 177.036 176.600 -0.082 0.000 1.029 315 E CA 0.107 56.473 56.400 -0.056 0.000 0.872 315 E CB 1.149 30.874 29.700 0.042 0.000 1.015 315 E HN 0.664 nan 8.360 nan 0.000 0.417 316 T N -1.430 113.113 114.554 -0.019 0.000 3.022 316 T HA 0.094 4.441 4.350 -0.006 0.000 0.250 316 T C 0.590 175.302 174.700 0.019 0.000 1.060 316 T CA 0.061 62.129 62.100 -0.054 0.000 1.013 316 T CB 0.211 69.016 68.868 -0.104 0.000 0.982 316 T HN 0.370 nan 8.240 nan 0.000 0.508 317 S N 0.315 116.066 115.700 0.085 0.000 2.655 317 S HA 0.408 4.874 4.470 -0.006 0.000 0.266 317 S C 0.894 175.596 174.600 0.169 0.000 1.149 317 S CA 0.013 58.272 58.200 0.098 0.000 0.818 317 S CB 0.838 64.101 63.200 0.105 0.000 1.130 317 S HN 0.303 nan 8.310 nan 0.000 0.476 318 S N -0.075 115.716 115.700 0.152 0.000 2.507 318 S HA 0.019 4.485 4.470 -0.006 0.000 0.235 318 S C 1.253 176.037 174.600 0.307 0.000 0.988 318 S CA 1.381 59.695 58.200 0.190 0.000 0.944 318 S CB -1.061 62.222 63.200 0.139 0.000 0.762 318 S HN 1.545 nan 8.310 nan 0.000 0.526 319 T N -1.276 113.455 114.554 0.296 0.000 3.170 319 T HA 0.337 4.683 4.350 -0.006 0.000 0.288 319 T C 0.205 175.189 174.700 0.472 0.000 0.992 319 T CA 0.111 62.403 62.100 0.319 0.000 0.909 319 T CB 0.240 69.191 68.868 0.139 0.000 1.133 319 T HN 0.485 nan 8.240 nan 0.000 0.530 320 T N -0.034 114.789 114.554 0.449 0.000 2.912 320 T HA 0.770 5.117 4.350 -0.006 0.000 0.299 320 T C -0.732 174.091 174.700 0.205 0.000 1.052 320 T CA -0.491 61.803 62.100 0.322 0.000 0.996 320 T CB 2.148 71.173 68.868 0.261 0.000 1.070 320 T HN 0.590 nan 8.240 nan 0.000 0.465 321 S N 0.646 116.392 115.700 0.077 0.000 2.587 321 S HA 0.934 5.400 4.470 -0.006 0.000 0.269 321 S C -0.403 174.271 174.600 0.122 0.000 1.154 321 S CA -0.510 57.669 58.200 -0.035 0.000 0.824 321 S CB 1.450 64.306 63.200 -0.573 0.000 1.118 321 S HN 1.585 nan 8.310 nan 0.000 0.462 322 G N -0.351 108.556 108.800 0.177 0.000 2.725 322 G HA2 0.811 4.768 3.960 -0.006 0.000 0.288 322 G HA3 0.811 4.768 3.960 -0.006 0.000 0.288 322 G C -0.987 173.789 174.900 -0.208 0.000 1.399 322 G CA -0.470 44.656 45.100 0.043 0.000 0.859 322 G HN 1.359 nan 8.290 nan 0.000 0.479 323 A N -0.483 121.965 122.820 -0.620 0.000 2.301 323 A HA 0.755 5.071 4.320 -0.006 0.000 0.298 323 A C -1.503 175.496 177.584 -0.975 0.000 1.185 323 A CA -0.385 51.059 52.037 -0.989 0.000 0.830 323 A CB 0.313 18.556 19.000 -1.260 0.000 1.112 323 A HN 0.566 nan 8.150 nan 0.000 0.508 324 Y N 1.264 121.225 120.300 -0.564 0.000 2.350 324 Y HA 0.465 5.011 4.550 -0.006 0.000 0.338 324 Y C 0.220 175.986 175.900 -0.223 0.000 0.961 324 Y CA -0.498 57.375 58.100 -0.378 0.000 1.100 324 Y CB 2.069 40.146 38.460 -0.639 0.000 1.179 324 Y HN 0.741 nan 8.280 nan 0.000 0.454 325 Q N 3.236 123.090 119.800 0.091 0.000 2.204 325 Q HA 0.745 5.081 4.340 -0.006 0.000 0.254 325 Q C -1.096 175.125 176.000 0.367 0.000 0.981 325 Q CA -0.667 55.200 55.803 0.108 0.000 0.897 325 Q CB 1.925 30.693 28.738 0.050 0.000 1.273 325 Q HN 0.587 nan 8.270 nan 0.000 0.464 326 F N -3.036 116.972 119.950 0.097 0.000 2.831 326 F HA 0.686 5.210 4.527 -0.006 0.000 0.318 326 F C -1.131 174.656 175.800 -0.022 0.000 1.174 326 F CA -1.200 56.859 58.000 0.097 0.000 0.918 326 F CB 1.465 40.575 39.000 0.183 0.000 1.364 326 F HN 0.341 nan 8.300 nan 0.000 0.475 327 E N 0.700 120.938 120.200 0.063 0.000 2.317 327 E HA 0.633 4.980 4.350 -0.006 0.000 0.270 327 E C -1.712 174.656 176.600 -0.386 0.000 0.885 327 E CA -1.309 54.951 56.400 -0.232 0.000 0.760 327 E CB 3.270 32.819 29.700 -0.251 0.000 1.227 327 E HN 0.463 nan 8.360 nan 0.000 0.434 328 V N 2.822 122.510 119.914 -0.375 0.000 2.398 328 V HA 0.228 4.345 4.120 -0.006 0.000 0.286 328 V C -1.219 174.631 176.094 -0.405 0.000 1.026 328 V CA -0.721 61.364 62.300 -0.357 0.000 0.868 328 V CB 0.314 31.976 31.823 -0.269 0.000 0.982 328 V HN 0.557 nan 8.190 nan 0.000 0.443 329 Y N 5.112 125.438 120.300 0.043 0.000 2.593 329 Y HA 0.437 4.983 4.550 -0.006 0.000 0.331 329 Y C 0.880 176.809 175.900 0.049 0.000 0.986 329 Y CA -1.095 57.027 58.100 0.037 0.000 1.262 329 Y CB 0.691 39.186 38.460 0.058 0.000 1.098 329 Y HN 0.485 nan 8.280 nan 0.000 0.506 330 L N 2.130 123.423 121.223 0.116 0.000 2.291 330 L HA 0.095 4.432 4.340 -0.006 0.000 0.214 330 L C 1.673 178.614 176.870 0.118 0.000 1.120 330 L CA 0.784 55.672 54.840 0.080 0.000 0.799 330 L CB -0.587 41.455 42.059 -0.028 0.000 0.925 330 L HN 0.942 nan 8.230 nan 0.000 0.446 331 G N 0.065 108.935 108.800 0.118 0.000 2.601 331 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.261 331 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.261 331 G C 0.301 175.251 174.900 0.084 0.000 1.289 331 G CA -0.356 44.802 45.100 0.095 0.000 0.920 331 G HN 0.462 nan 8.290 nan 0.000 0.571 332 G N -0.773 108.097 108.800 0.116 0.000 2.393 332 G HA2 0.626 4.582 3.960 -0.006 0.000 0.311 332 G HA3 0.626 4.582 3.960 -0.006 0.000 0.311 332 G C 0.094 175.197 174.900 0.339 0.000 1.067 332 G CA 0.335 45.545 45.100 0.183 0.000 1.000 332 G HN 1.293 nan 8.290 nan 0.000 0.422 333 V N 5.067 125.053 119.914 0.120 0.000 2.572 333 V HA 0.107 4.224 4.120 -0.006 0.000 0.291 333 V C -1.629 174.458 176.094 -0.011 0.000 1.039 333 V CA -1.248 61.026 62.300 -0.044 0.000 1.055 333 V CB 1.172 32.686 31.823 -0.515 0.000 0.969 333 V HN 0.543 nan 8.190 nan 0.000 0.482 334 P HA 0.072 nan 4.420 nan 0.000 0.266 334 P C 0.415 177.577 177.300 -0.230 0.000 1.195 334 P CA 0.019 62.709 63.100 -0.683 0.000 0.768 334 P CB 0.523 31.721 31.700 -0.836 0.000 0.838 335 D N 1.002 121.288 120.400 -0.191 0.000 2.224 335 D HA -0.032 4.604 4.640 -0.006 0.000 0.205 335 D C 0.230 176.543 176.300 0.021 0.000 0.965 335 D CA 1.425 55.421 54.000 -0.008 0.000 0.852 335 D CB 0.109 40.928 40.800 0.031 0.000 0.947 335 D HN 0.305 nan 8.370 nan 0.000 0.494 336 F N 0.517 120.328 119.950 -0.231 0.000 2.591 336 F HA 0.371 4.894 4.527 -0.006 0.000 0.309 336 F C -1.501 174.144 175.800 -0.258 0.000 1.098 336 F CA -0.938 56.953 58.000 -0.182 0.000 0.937 336 F CB 2.108 41.043 39.000 -0.108 0.000 1.250 336 F HN -0.328 nan 8.300 nan 0.000 0.447 337 E N 3.796 123.241 120.200 -1.257 0.000 2.311 337 E HA 0.459 4.805 4.350 -0.006 0.000 0.281 337 E C -1.620 174.309 176.600 -1.119 0.000 0.905 337 E CA -0.666 55.130 56.400 -1.006 0.000 0.778 337 E CB 1.696 31.052 29.700 -0.574 0.000 1.240 337 E HN 0.731 nan 8.360 nan 0.000 0.410 338 S N 3.227 118.412 115.700 -0.859 0.000 2.669 338 S HA 0.362 4.828 4.470 -0.006 0.000 0.270 338 S C 0.227 174.653 174.600 -0.290 0.000 1.225 338 S CA -0.795 57.146 58.200 -0.431 0.000 0.991 338 S CB 0.973 64.171 63.200 -0.005 0.000 0.987 338 S HN 0.511 nan 8.310 nan 0.000 0.552 339 D N 0.019 120.357 120.400 -0.104 0.000 2.363 339 D HA 0.157 4.793 4.640 -0.006 0.000 0.240 339 D C -0.476 175.786 176.300 -0.064 0.000 1.236 339 D CA -0.118 53.844 54.000 -0.063 0.000 0.927 339 D CB 0.145 40.989 40.800 0.073 0.000 1.150 339 D HN 0.663 nan 8.370 nan 0.000 0.458 340 W N 1.130 122.414 121.300 -0.025 0.000 2.397 340 W HA 0.194 4.850 4.660 -0.006 0.000 0.327 340 W C 0.149 176.762 176.519 0.157 0.000 1.421 340 W CA -0.397 56.919 57.345 -0.048 0.000 1.288 340 W CB -0.235 29.109 29.460 -0.193 0.000 1.312 340 W HN 0.111 nan 8.180 nan 0.000 0.559 341 F N 1.322 121.476 119.950 0.340 0.000 2.563 341 F HA 0.705 5.228 4.527 -0.006 0.000 0.316 341 F C -0.019 175.826 175.800 0.075 0.000 1.076 341 F CA -1.957 56.175 58.000 0.221 0.000 0.921 341 F CB 0.556 39.604 39.000 0.079 0.000 1.209 341 F HN 0.179 nan 8.300 nan 0.000 0.462 342 S N 1.882 117.590 115.700 0.014 0.000 2.564 342 S HA 0.641 5.108 4.470 -0.006 0.000 0.278 342 S C -0.321 174.095 174.600 -0.307 0.000 1.333 342 S CA -0.087 57.818 58.200 -0.492 0.000 1.048 342 S CB 0.980 63.935 63.200 -0.408 0.000 0.900 342 S HN 1.462 nan 8.310 nan 0.000 0.505 343 V N -0.566 119.066 119.914 -0.469 0.000 3.040 343 V HA 0.939 5.055 4.120 -0.006 0.000 0.312 343 V C -0.317 175.681 176.094 -0.160 0.000 1.115 343 V CA -0.738 61.283 62.300 -0.464 0.000 0.998 343 V CB 1.554 32.746 31.823 -1.051 0.000 1.042 343 V HN 0.938 nan 8.190 nan 0.000 0.433 344 S N 0.711 116.464 115.700 0.089 0.000 2.667 344 S HA 0.744 5.211 4.470 -0.006 0.000 0.292 344 S C -0.148 174.540 174.600 0.147 0.000 1.126 344 S CA -0.227 58.037 58.200 0.106 0.000 0.881 344 S CB 1.883 65.153 63.200 0.116 0.000 1.132 344 S HN 1.496 nan 8.310 nan 0.000 0.492 345 S N 0.653 116.421 115.700 0.113 0.000 2.579 345 S HA 0.277 4.743 4.470 -0.006 0.000 0.275 345 S C 0.046 174.710 174.600 0.105 0.000 1.345 345 S CA -0.345 57.924 58.200 0.115 0.000 1.031 345 S CB -0.544 62.713 63.200 0.096 0.000 0.892 345 S HN 0.776 nan 8.310 nan 0.000 0.529 346 N N 0.268 119.030 118.700 0.104 0.000 2.714 346 N HA -0.155 4.581 4.740 -0.006 0.000 0.252 346 N C -0.843 174.697 175.510 0.049 0.000 1.014 346 N CA 0.995 54.089 53.050 0.073 0.000 0.735 346 N CB -1.358 37.158 38.487 0.048 0.000 0.924 346 N HN 0.582 nan 8.380 nan 0.000 0.540 347 S N -0.429 115.311 115.700 0.066 0.000 2.704 347 S HA 0.775 5.241 4.470 -0.006 0.000 0.296 347 S C -0.987 173.537 174.600 -0.128 0.000 1.138 347 S CA -0.852 57.309 58.200 -0.065 0.000 0.875 347 S CB 2.360 65.496 63.200 -0.106 0.000 1.151 347 S HN 0.260 nan 8.310 nan 0.000 0.500 348 L N 1.896 122.896 121.223 -0.372 0.000 2.376 348 L HA 0.614 4.951 4.340 -0.006 0.000 0.275 348 L C -2.172 174.384 176.870 -0.524 0.000 0.987 348 L CA -0.292 54.397 54.840 -0.253 0.000 0.828 348 L CB 0.686 42.671 42.059 -0.123 0.000 1.249 348 L HN 0.643 nan 8.230 nan 0.000 0.409 349 Y N 2.637 123.004 120.300 0.112 0.000 2.352 349 Y HA 0.659 5.205 4.550 -0.006 0.000 0.339 349 Y C 0.216 176.143 175.900 0.045 0.000 0.992 349 Y CA -0.636 57.520 58.100 0.093 0.000 1.100 349 Y CB 2.202 40.797 38.460 0.226 0.000 1.192 349 Y HN 0.502 nan 8.280 nan 0.000 0.458 350 T N 5.445 120.043 114.554 0.073 0.000 2.815 350 T HA 0.541 4.888 4.350 -0.006 0.000 0.289 350 T C -0.942 173.736 174.700 -0.036 0.000 1.000 350 T CA -0.571 61.535 62.100 0.010 0.000 0.958 350 T CB 0.240 69.090 68.868 -0.031 0.000 0.944 350 T HN 0.235 nan 8.240 nan 0.000 0.442 351 L N 2.862 124.056 121.223 -0.047 0.000 2.319 351 L HA 0.486 4.822 4.340 -0.006 0.000 0.281 351 L C 0.616 177.344 176.870 -0.235 0.000 1.005 351 L CA -0.426 54.354 54.840 -0.100 0.000 0.828 351 L CB 1.815 43.869 42.059 -0.008 0.000 1.227 351 L HN 0.570 nan 8.230 nan 0.000 0.415 352 S N 1.147 116.704 115.700 -0.238 0.000 2.465 352 S HA 0.080 4.547 4.470 -0.006 0.000 0.280 352 S C 1.162 175.452 174.600 -0.518 0.000 1.232 352 S CA -0.276 57.714 58.200 -0.351 0.000 1.066 352 S CB 0.048 63.121 63.200 -0.212 0.000 0.929 352 S HN 0.741 nan 8.310 nan 0.000 0.494 353 H N 3.334 122.063 119.070 -0.568 0.000 2.535 353 H HA 0.317 4.869 4.556 -0.006 0.000 0.273 353 H C 1.578 176.686 175.328 -0.366 0.000 0.983 353 H CA 0.504 55.999 56.048 -0.922 0.000 1.238 353 H CB -0.574 28.708 29.762 -0.800 0.000 1.412 353 H HN 0.841 nan 8.280 nan 0.000 0.562 354 G N 0.468 109.201 108.800 -0.111 0.000 2.168 354 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.257 354 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.257 354 G C -0.036 174.927 174.900 0.106 0.000 0.997 354 G CA 0.566 45.673 45.100 0.013 0.000 0.708 354 G HN 0.450 nan 8.290 nan 0.000 0.520 355 L N -0.494 120.894 121.223 0.275 0.000 2.357 355 L HA 0.372 4.709 4.340 -0.006 0.000 0.273 355 L C 1.797 178.721 176.870 0.091 0.000 1.080 355 L CA -0.417 54.497 54.840 0.123 0.000 0.803 355 L CB 1.156 43.192 42.059 -0.039 0.000 1.174 355 L HN 0.200 nan 8.230 nan 0.000 0.443 356 Q N 1.584 121.408 119.800 0.040 0.000 2.226 356 Q HA -0.116 4.220 4.340 -0.006 0.000 0.204 356 Q C -0.012 176.006 176.000 0.030 0.000 0.975 356 Q CA 1.276 57.097 55.803 0.030 0.000 0.866 356 Q CB 0.325 29.074 28.738 0.018 0.000 0.915 356 Q HN 0.666 nan 8.270 nan 0.000 0.440 357 R N -1.430 119.079 120.500 0.015 0.000 2.781 357 R HA 0.431 4.768 4.340 -0.006 0.000 0.269 357 R C -0.816 175.455 176.300 -0.050 0.000 1.025 357 R CA -0.402 55.702 56.100 0.008 0.000 0.914 357 R CB 0.666 30.968 30.300 0.005 0.000 1.236 357 R HN -0.015 nan 8.270 nan 0.000 0.465 358 S N 1.163 116.839 115.700 -0.040 0.000 2.560 358 S HA 0.218 4.685 4.470 -0.006 0.000 0.284 358 S C -1.860 172.644 174.600 -0.161 0.000 1.327 358 S CA -0.863 57.262 58.200 -0.126 0.000 1.055 358 S CB 0.159 63.350 63.200 -0.015 0.000 0.868 358 S HN 0.545 nan 8.310 nan 0.000 0.506 359 P HA 0.222 nan 4.420 nan 0.000 0.271 359 P C 0.026 177.321 177.300 -0.008 0.000 1.220 359 P CA -0.448 62.583 63.100 -0.115 0.000 0.768 359 P CB 0.634 32.252 31.700 -0.137 0.000 0.848 360 R N 2.102 122.629 120.500 0.044 0.000 2.193 360 R HA 0.064 4.401 4.340 -0.006 0.000 0.213 360 R C 0.735 177.082 176.300 0.078 0.000 1.055 360 R CA 0.711 56.842 56.100 0.051 0.000 0.995 360 R CB 0.062 30.388 30.300 0.045 0.000 0.893 360 R HN 0.503 nan 8.270 nan 0.000 0.459 361 R N 0.275 120.862 120.500 0.145 0.000 2.621 361 R HA 0.490 4.827 4.340 -0.006 0.000 0.292 361 R C -1.385 175.113 176.300 0.329 0.000 0.969 361 R CA -0.609 55.607 56.100 0.193 0.000 0.887 361 R CB 2.916 33.298 30.300 0.138 0.000 1.180 361 R HN -0.173 nan 8.270 nan 0.000 0.450 362 V N 2.669 122.748 119.914 0.276 0.000 2.760 362 V HA 0.458 4.575 4.120 -0.006 0.000 0.309 362 V C -0.766 175.499 176.094 0.285 0.000 1.077 362 V CA -0.848 61.624 62.300 0.288 0.000 0.910 362 V CB 2.424 34.352 31.823 0.175 0.000 1.008 362 V HN 0.442 nan 8.190 nan 0.000 0.424 363 V N 4.427 124.537 119.914 0.326 0.000 2.604 363 V HA 0.617 4.733 4.120 -0.006 0.000 0.305 363 V C -0.581 175.578 176.094 0.109 0.000 1.043 363 V CA -0.580 61.860 62.300 0.234 0.000 0.888 363 V CB 2.274 34.301 31.823 0.340 0.000 0.995 363 V HN 0.626 nan 8.190 nan 0.000 0.429 364 V N 4.415 124.359 119.914 0.049 0.000 2.448 364 V HA 0.572 4.688 4.120 -0.006 0.000 0.295 364 V C -0.298 175.747 176.094 -0.082 0.000 1.025 364 V CA -0.578 61.681 62.300 -0.069 0.000 0.859 364 V CB 1.750 33.490 31.823 -0.139 0.000 0.988 364 V HN 0.951 nan 8.190 nan 0.000 0.431 365 E N 2.909 123.039 120.200 -0.116 0.000 2.336 365 E HA 0.669 5.016 4.350 -0.006 0.000 0.267 365 E C -1.651 175.069 176.600 0.201 0.000 0.906 365 E CA -0.696 55.746 56.400 0.069 0.000 0.781 365 E CB 3.176 32.980 29.700 0.175 0.000 1.261 365 E HN 0.560 nan 8.360 nan 0.000 0.436 366 F N 1.032 121.083 119.950 0.169 0.000 2.556 366 F HA 0.773 5.297 4.527 -0.006 0.000 0.314 366 F C -1.452 174.396 175.800 0.080 0.000 1.106 366 F CA -0.429 57.696 58.000 0.208 0.000 0.911 366 F CB 1.388 40.416 39.000 0.047 0.000 1.190 366 F HN 0.544 nan 8.300 nan 0.000 0.448 367 A N 5.511 127.691 122.820 -1.066 0.000 2.593 367 A HA 0.604 4.920 4.320 -0.006 0.000 0.290 367 A C -0.347 176.496 177.584 -1.236 0.000 1.126 367 A CA -0.963 50.355 52.037 -1.197 0.000 0.695 367 A CB 1.612 19.928 19.000 -1.139 0.000 1.290 367 A HN 0.833 nan 8.150 nan 0.000 0.414 368 R N 0.207 120.187 120.500 -0.867 0.000 2.334 368 R HA 0.170 4.506 4.340 -0.006 0.000 0.216 368 R C 0.401 176.503 176.300 -0.330 0.000 0.905 368 R CA 1.008 56.786 56.100 -0.538 0.000 1.064 368 R CB 0.135 30.141 30.300 -0.489 0.000 1.046 368 R HN 0.793 nan 8.270 nan 0.000 0.508 369 S N -0.875 114.472 115.700 -0.588 0.000 2.685 369 S HA 0.196 4.662 4.470 -0.006 0.000 0.282 369 S C 0.493 174.336 174.600 -1.262 0.000 1.159 369 S CA -0.633 57.084 58.200 -0.805 0.000 0.833 369 S CB 1.777 64.662 63.200 -0.524 0.000 1.151 369 S HN 0.032 nan 8.310 nan 0.000 0.485 370 S N -0.500 114.468 115.700 -1.220 0.000 2.605 370 S HA 0.290 4.756 4.470 -0.006 0.000 0.217 370 S C 0.532 174.773 174.600 -0.599 0.000 0.958 370 S CA 0.183 57.859 58.200 -0.874 0.000 0.919 370 S CB -0.183 62.694 63.200 -0.539 0.000 0.780 370 S HN 0.760 nan 8.310 nan 0.000 0.507 371 S N 3.491 118.830 115.700 -0.602 0.000 2.327 371 S HA 0.412 4.879 4.470 -0.006 0.000 0.203 371 S C -2.693 171.655 174.600 -0.419 0.000 1.326 371 S CA -1.122 56.829 58.200 -0.415 0.000 1.248 371 S CB 0.240 63.282 63.200 -0.264 0.000 1.199 371 S HN 0.429 nan 8.310 nan 0.000 0.422 372 P HA 0.336 nan 4.420 nan 0.000 0.279 372 P C 0.529 177.784 177.300 -0.075 0.000 1.252 372 P CA -0.394 62.469 63.100 -0.395 0.000 0.811 372 P CB 1.534 32.877 31.700 -0.594 0.000 1.035 373 S N -0.476 115.200 115.700 -0.040 0.000 2.492 373 S HA 0.100 4.566 4.470 -0.006 0.000 0.218 373 S C 0.800 175.382 174.600 -0.029 0.000 1.016 373 S CA 0.430 58.652 58.200 0.036 0.000 0.916 373 S CB -0.645 62.520 63.200 -0.059 0.000 0.791 373 S HN 0.726 nan 8.310 nan 0.000 0.513 374 T N -0.898 113.582 114.554 -0.123 0.000 2.906 374 T HA 0.745 5.091 4.350 -0.006 0.000 0.295 374 T C -1.223 173.365 174.700 -0.187 0.000 1.075 374 T CA -1.015 60.812 62.100 -0.456 0.000 1.005 374 T CB 1.515 70.153 68.868 -0.382 0.000 1.136 374 T HN 0.736 nan 8.240 nan 0.000 0.498 375 W N 0.191 121.391 121.300 -0.166 0.000 3.074 375 W HA 0.747 5.404 4.660 -0.006 0.000 0.332 375 W C -1.624 174.806 176.519 -0.149 0.000 1.253 375 W CA -1.055 56.179 57.345 -0.184 0.000 1.180 375 W CB 0.602 30.061 29.460 -0.001 0.000 1.445 375 W HN 0.772 nan 8.180 nan 0.000 0.573 376 N N 0.722 119.402 118.700 -0.034 0.000 2.335 376 N HA 0.590 5.326 4.740 -0.006 0.000 0.304 376 N C -0.952 174.580 175.510 0.037 0.000 1.135 376 N CA -0.922 52.006 53.050 -0.204 0.000 0.817 376 N CB 2.196 40.107 38.487 -0.961 0.000 1.294 376 N HN 0.301 nan 8.380 nan 0.000 0.497 377 I N 1.472 122.117 120.570 0.126 0.000 2.496 377 I HA 0.102 4.269 4.170 -0.006 0.000 0.285 377 I C -0.313 175.960 176.117 0.260 0.000 1.080 377 I CA -0.542 60.865 61.300 0.179 0.000 1.404 377 I CB 0.634 38.725 38.000 0.152 0.000 1.403 377 I HN 0.131 nan 8.210 nan 0.000 0.539 378 V N 8.090 128.114 119.914 0.183 0.000 2.383 378 V HA 0.411 4.527 4.120 -0.006 0.000 0.275 378 V C 0.167 176.347 176.094 0.142 0.000 1.036 378 V CA -0.182 62.249 62.300 0.218 0.000 0.889 378 V CB 1.045 32.851 31.823 -0.027 0.000 0.985 378 V HN 0.668 nan 8.190 nan 0.000 0.459 379 M N 6.781 126.469 119.600 0.146 0.000 2.433 379 M HA 0.445 4.921 4.480 -0.006 0.000 0.290 379 M C -2.812 173.533 176.300 0.075 0.000 1.173 379 M CA -1.628 53.726 55.300 0.090 0.000 0.905 379 M CB 3.344 35.983 32.600 0.066 0.000 1.692 379 M HN 0.298 nan 8.290 nan 0.000 0.462 380 P HA 0.181 nan 4.420 nan 0.000 0.271 380 P C -1.091 176.266 177.300 0.096 0.000 1.380 380 P CA 0.078 63.234 63.100 0.094 0.000 0.992 380 P CB 0.143 31.901 31.700 0.097 0.000 1.230 381 S N 2.835 118.591 115.700 0.092 0.000 2.618 381 S HA 0.654 5.121 4.470 -0.006 0.000 0.284 381 S C -0.754 173.994 174.600 0.247 0.000 1.102 381 S CA -0.437 57.854 58.200 0.152 0.000 0.984 381 S CB 0.667 63.932 63.200 0.108 0.000 1.280 381 S HN 0.488 nan 8.310 nan 0.000 0.525 382 Y N 0.739 121.135 120.300 0.159 0.000 2.552 382 Y HA 0.590 5.136 4.550 -0.006 0.000 0.337 382 Y C -1.900 174.175 175.900 0.292 0.000 1.094 382 Y CA -1.363 56.825 58.100 0.147 0.000 1.028 382 Y CB 1.110 39.637 38.460 0.112 0.000 1.321 382 Y HN 0.730 nan 8.280 nan 0.000 0.456 383 F N 2.497 122.012 119.950 -0.725 0.000 2.685 383 F HA 0.605 5.129 4.527 -0.006 0.000 0.315 383 F C -2.072 173.248 175.800 -0.800 0.000 1.126 383 F CA -1.126 56.541 58.000 -0.554 0.000 0.950 383 F CB 1.736 40.376 39.000 -0.601 0.000 1.360 383 F HN 0.490 nan 8.300 nan 0.000 0.469 384 N N 1.231 119.843 118.700 -0.147 0.000 2.461 384 N HA 0.243 4.979 4.740 -0.006 0.000 0.284 384 N C -1.460 174.085 175.510 0.059 0.000 1.049 384 N CA -0.355 52.604 53.050 -0.152 0.000 0.889 384 N CB 1.661 40.213 38.487 0.107 0.000 1.365 384 N HN 0.878 nan 8.380 nan 0.000 0.499 385 D N 2.485 122.874 120.400 -0.018 0.000 2.538 385 D HA 0.287 4.923 4.640 -0.006 0.000 0.231 385 D C 1.034 177.333 176.300 -0.002 0.000 1.229 385 D CA 0.019 54.061 54.000 0.069 0.000 0.828 385 D CB 0.028 40.927 40.800 0.165 0.000 1.035 385 D HN 0.781 nan 8.370 nan 0.000 0.495 386 G N -1.354 107.419 108.800 -0.046 0.000 2.617 386 G HA2 0.035 3.991 3.960 -0.006 0.000 0.197 386 G HA3 0.035 3.991 3.960 -0.006 0.000 0.197 386 G C 0.493 175.310 174.900 -0.139 0.000 1.017 386 G CA -0.152 44.908 45.100 -0.067 0.000 0.713 386 G HN 0.826 nan 8.290 nan 0.000 0.481 387 G N -0.594 108.095 108.800 -0.186 0.000 2.730 387 G HA2 0.601 4.557 3.960 -0.006 0.000 0.289 387 G HA3 0.601 4.557 3.960 -0.006 0.000 0.289 387 G C -1.160 173.537 174.900 -0.339 0.000 1.341 387 G CA -0.709 44.222 45.100 -0.283 0.000 0.932 387 G HN 0.339 nan 8.290 nan 0.000 0.481 388 H N 0.711 119.740 119.070 -0.067 0.000 2.767 388 H HA 0.360 4.913 4.556 -0.006 0.000 0.316 388 H C -0.231 174.951 175.328 -0.244 0.000 1.059 388 H CA 0.405 56.425 56.048 -0.046 0.000 1.461 388 H CB 1.045 30.906 29.762 0.164 0.000 1.475 388 H HN 0.221 nan 8.280 nan 0.000 0.531 389 K N 1.735 121.843 120.400 -0.486 0.000 2.513 389 K HA 0.355 4.671 4.320 -0.006 0.000 0.251 389 K C 0.167 176.474 176.600 -0.488 0.000 0.939 389 K CA -0.776 55.152 56.287 -0.598 0.000 0.793 389 K CB 2.755 34.580 32.500 -1.125 0.000 1.241 389 K HN 0.713 nan 8.250 nan 0.000 0.431 390 G N 0.519 109.233 108.800 -0.143 0.000 2.467 390 G HA2 0.282 4.238 3.960 -0.006 0.000 0.257 390 G HA3 0.282 4.238 3.960 -0.006 0.000 0.257 390 G C -0.680 174.242 174.900 0.038 0.000 1.227 390 G CA -0.156 44.949 45.100 0.008 0.000 0.835 390 G HN 0.324 nan 8.290 nan 0.000 0.556 391 S N 0.447 116.212 115.700 0.108 0.000 2.594 391 S HA 0.766 5.232 4.470 -0.006 0.000 0.296 391 S C 0.451 175.097 174.600 0.077 0.000 1.124 391 S CA 0.876 59.147 58.200 0.118 0.000 1.011 391 S CB 0.731 63.992 63.200 0.102 0.000 1.016 391 S HN 2.385 nan 8.310 nan 0.000 0.485 392 G N 2.997 111.872 108.800 0.126 0.000 2.464 392 G HA2 0.394 4.351 3.960 -0.006 0.000 0.216 392 G HA3 0.394 4.351 3.960 -0.006 0.000 0.216 392 G C -0.312 174.753 174.900 0.276 0.000 1.186 392 G CA -0.178 45.045 45.100 0.205 0.000 1.010 392 G HN 1.885 nan 8.290 nan 0.000 0.585 393 A N -0.974 121.986 122.820 0.234 0.000 2.520 393 A HA 0.767 5.083 4.320 -0.006 0.000 0.298 393 A C -0.367 177.323 177.584 0.177 0.000 1.051 393 A CA -0.164 52.026 52.037 0.256 0.000 0.690 393 A CB 1.730 20.935 19.000 0.342 0.000 1.281 393 A HN 0.773 nan 8.150 nan 0.000 0.402 394 Q N 0.310 120.211 119.800 0.169 0.000 2.221 394 Q HA 0.602 4.939 4.340 -0.006 0.000 0.242 394 Q C -0.775 175.311 176.000 0.144 0.000 0.940 394 Q CA -0.446 55.437 55.803 0.133 0.000 0.896 394 Q CB 2.074 30.878 28.738 0.110 0.000 1.226 394 Q HN 0.521 nan 8.270 nan 0.000 0.463 395 V N 0.920 120.905 119.914 0.118 0.000 2.588 395 V HA 0.315 4.432 4.120 -0.006 0.000 0.304 395 V C -0.412 175.740 176.094 0.097 0.000 1.042 395 V CA -0.741 61.631 62.300 0.120 0.000 0.877 395 V CB 2.013 33.905 31.823 0.115 0.000 0.996 395 V HN 0.720 nan 8.190 nan 0.000 0.425 396 E N 3.324 123.582 120.200 0.096 0.000 2.199 396 E HA 0.713 5.059 4.350 -0.006 0.000 0.269 396 E C -1.800 174.846 176.600 0.076 0.000 0.899 396 E CA -0.462 55.983 56.400 0.075 0.000 0.772 396 E CB 2.262 32.000 29.700 0.063 0.000 1.155 396 E HN 0.467 nan 8.360 nan 0.000 0.408 397 V N 2.852 122.807 119.914 0.067 0.000 2.628 397 V HA 0.808 4.924 4.120 -0.006 0.000 0.306 397 V C 0.476 176.611 176.094 0.067 0.000 1.045 397 V CA -0.229 62.114 62.300 0.071 0.000 0.905 397 V CB 1.614 33.471 31.823 0.056 0.000 0.997 397 V HN 0.850 nan 8.190 nan 0.000 0.436 398 G N 1.366 110.225 108.800 0.098 0.000 2.782 398 G HA2 0.436 4.392 3.960 -0.006 0.000 0.304 398 G HA3 0.436 4.392 3.960 -0.006 0.000 0.304 398 G C 0.250 175.255 174.900 0.175 0.000 1.315 398 G CA 0.141 45.294 45.100 0.088 0.000 0.791 398 G HN 0.466 nan 8.290 nan 0.000 0.519 399 S N -0.599 115.170 115.700 0.114 0.000 2.522 399 S HA 0.134 4.600 4.470 -0.006 0.000 0.227 399 S C 1.807 176.464 174.600 0.095 0.000 0.986 399 S CA 0.493 58.777 58.200 0.140 0.000 0.929 399 S CB -0.168 63.068 63.200 0.060 0.000 0.769 399 S HN 0.341 nan 8.310 nan 0.000 0.529 400 L N -0.123 121.048 121.223 -0.087 0.000 2.515 400 L HA 0.301 4.637 4.340 -0.006 0.000 0.202 400 L C 0.007 176.396 176.870 -0.802 0.000 1.056 400 L CA 0.244 54.851 54.840 -0.389 0.000 0.847 400 L CB 0.060 41.993 42.059 -0.209 0.000 1.131 400 L HN 0.119 nan 8.230 nan 0.000 0.484 401 N N 0.091 118.562 118.700 -0.382 0.000 2.292 401 N HA 0.502 5.239 4.740 -0.006 0.000 0.303 401 N C -0.986 174.516 175.510 -0.013 0.000 1.140 401 N CA -0.391 52.502 53.050 -0.263 0.000 0.788 401 N CB 2.736 41.136 38.487 -0.144 0.000 1.361 401 N HN -0.074 nan 8.380 nan 0.000 0.489 402 I N 1.490 122.058 120.570 -0.003 0.000 2.359 402 I HA 0.363 4.530 4.170 -0.006 0.000 0.294 402 I C 0.150 176.308 176.117 0.068 0.000 0.987 402 I CA -0.487 60.853 61.300 0.067 0.000 1.225 402 I CB 1.002 39.051 38.000 0.081 0.000 1.366 402 I HN 0.167 nan 8.210 nan 0.000 0.466 403 R N 6.655 127.211 120.500 0.094 0.000 2.562 403 R HA 0.735 5.072 4.340 -0.006 0.000 0.298 403 R C -1.372 175.033 176.300 0.176 0.000 0.961 403 R CA -0.739 55.432 56.100 0.118 0.000 0.881 403 R CB 1.951 32.295 30.300 0.074 0.000 1.159 403 R HN 0.491 nan 8.270 nan 0.000 0.450 404 L N 1.425 122.806 121.223 0.263 0.000 2.341 404 L HA 0.631 4.968 4.340 -0.006 0.000 0.278 404 L C 0.329 177.401 176.870 0.336 0.000 1.005 404 L CA -0.979 54.063 54.840 0.336 0.000 0.818 404 L CB 2.162 44.523 42.059 0.503 0.000 1.259 404 L HN 0.761 nan 8.230 nan 0.000 0.418 405 G N 0.731 109.693 108.800 0.269 0.000 2.437 405 G HA2 0.544 4.501 3.960 -0.006 0.000 0.315 405 G HA3 0.544 4.501 3.960 -0.006 0.000 0.315 405 G C -0.120 174.938 174.900 0.264 0.000 1.210 405 G CA -0.284 44.949 45.100 0.222 0.000 0.943 405 G HN 0.545 nan 8.290 nan 0.000 0.471 406 T N 0.365 115.092 114.554 0.288 0.000 2.922 406 T HA 0.707 5.054 4.350 -0.006 0.000 0.285 406 T C 0.958 175.773 174.700 0.193 0.000 1.005 406 T CA -0.109 62.164 62.100 0.288 0.000 1.061 406 T CB 2.005 71.051 68.868 0.296 0.000 1.007 406 T HN 0.587 nan 8.240 nan 0.000 0.502 407 G N -0.110 108.797 108.800 0.178 0.000 2.510 407 G HA2 0.499 4.456 3.960 -0.006 0.000 0.280 407 G HA3 0.499 4.456 3.960 -0.006 0.000 0.280 407 G C 1.234 176.198 174.900 0.107 0.000 1.386 407 G CA -0.521 44.652 45.100 0.122 0.000 1.047 407 G HN 1.032 nan 8.290 nan 0.000 0.527 408 A N -0.969 121.890 122.820 0.064 0.000 1.978 408 A HA 0.368 4.685 4.320 -0.006 0.000 0.220 408 A C 1.578 179.245 177.584 0.139 0.000 1.170 408 A CA 2.043 54.119 52.037 0.064 0.000 0.636 408 A CB -0.592 18.393 19.000 -0.025 0.000 0.810 408 A HN 1.524 nan 8.150 nan 0.000 0.448 409 A N -0.687 122.249 122.820 0.193 0.000 2.337 409 A HA 0.539 4.855 4.320 -0.006 0.000 0.329 409 A C 0.999 178.674 177.584 0.150 0.000 1.146 409 A CA 0.091 52.232 52.037 0.173 0.000 0.800 409 A CB 1.252 20.344 19.000 0.154 0.000 1.220 409 A HN 1.032 nan 8.150 nan 0.000 0.472 410 V N -1.516 118.487 119.914 0.148 0.000 2.871 410 V HA 0.232 4.349 4.120 -0.006 0.000 0.256 410 V C 0.321 176.556 176.094 0.234 0.000 1.082 410 V CA 0.860 63.281 62.300 0.200 0.000 1.105 410 V CB -1.048 30.833 31.823 0.097 0.000 0.713 410 V HN 0.850 nan 8.190 nan 0.000 0.473 411 W N -1.231 119.943 121.300 -0.210 0.000 3.419 411 W HA 0.607 5.264 4.660 -0.006 0.000 0.298 411 W C -0.200 176.167 176.519 -0.253 0.000 1.260 411 W CA 0.402 57.536 57.345 -0.352 0.000 1.199 411 W CB 1.043 29.892 29.460 -1.018 0.000 1.349 411 W HN 0.630 nan 8.180 nan 0.000 0.557 412 G N 1.608 109.752 108.800 -1.095 0.000 2.697 412 G HA2 0.330 4.287 3.960 -0.006 0.000 0.686 412 G HA3 0.330 4.287 3.960 -0.006 0.000 0.686 412 G C -0.021 174.409 174.900 -0.783 0.000 1.179 412 G CA 0.311 44.813 45.100 -0.996 0.000 0.765 412 G HN 1.466 nan 8.290 nan 0.000 0.649 413 T N -2.665 111.439 114.554 -0.750 0.000 3.100 413 T HA 0.513 4.859 4.350 -0.006 0.000 0.255 413 T C 2.424 176.531 174.700 -0.988 0.000 0.893 413 T CA 1.688 63.298 62.100 -0.816 0.000 0.882 413 T CB 0.434 69.082 68.868 -0.365 0.000 1.266 413 T HN 2.815 nan 8.240 nan 0.000 0.528 414 G N 1.012 109.451 108.800 -0.602 0.000 2.179 414 G HA2 -0.277 3.680 3.960 -0.006 0.000 0.260 414 G HA3 -0.277 3.680 3.960 -0.006 0.000 0.260 414 G C 0.345 175.161 174.900 -0.139 0.000 0.977 414 G CA 0.507 45.370 45.100 -0.396 0.000 0.641 414 G HN 0.535 nan 8.290 nan 0.000 0.533 415 Y N -0.575 119.649 120.300 -0.126 0.000 2.458 415 Y HA 0.587 5.133 4.550 -0.006 0.000 0.256 415 Y C 0.700 176.237 175.900 -0.605 0.000 1.159 415 Y CA -1.519 56.369 58.100 -0.354 0.000 1.261 415 Y CB -0.010 38.159 38.460 -0.485 0.000 1.119 415 Y HN 0.221 nan 8.280 nan 0.000 0.524 416 F N -0.682 119.313 119.950 0.075 0.000 2.540 416 F HA 0.635 5.159 4.527 -0.006 0.000 0.317 416 F C 0.922 176.753 175.800 0.052 0.000 1.104 416 F CA -1.755 56.280 58.000 0.059 0.000 0.913 416 F CB 1.300 40.326 39.000 0.043 0.000 1.170 416 F HN -0.109 nan 8.300 nan 0.000 0.450 417 G N 0.866 109.787 108.800 0.201 0.000 2.491 417 G HA2 0.383 4.340 3.960 -0.006 0.000 0.238 417 G HA3 0.383 4.340 3.960 -0.006 0.000 0.238 417 G C 0.877 175.857 174.900 0.133 0.000 1.277 417 G CA 0.329 45.504 45.100 0.125 0.000 0.851 417 G HN 1.282 nan 8.290 nan 0.000 0.573 418 G N 1.630 110.487 108.800 0.096 0.000 4.236 418 G HA2 -0.401 3.556 3.960 -0.006 0.000 0.222 418 G HA3 -0.401 3.556 3.960 -0.006 0.000 0.222 418 G C 1.422 176.390 174.900 0.113 0.000 1.354 418 G CA 1.354 46.507 45.100 0.088 0.000 0.966 418 G HN 1.663 nan 8.290 nan 0.000 0.624 419 I N -2.287 118.380 120.570 0.161 0.000 3.956 419 I HA 0.612 4.779 4.170 -0.006 0.000 0.333 419 I C 0.716 177.027 176.117 0.322 0.000 1.302 419 I CA 0.984 62.414 61.300 0.217 0.000 1.122 419 I CB 0.742 38.871 38.000 0.216 0.000 1.013 419 I HN 0.119 nan 8.210 nan 0.000 0.405 420 D N 1.857 122.401 120.400 0.241 0.000 3.216 420 D HA 0.050 4.687 4.640 -0.006 0.000 0.348 420 D C 0.075 176.410 176.300 0.059 0.000 1.407 420 D CA -0.141 53.949 54.000 0.151 0.000 0.744 420 D CB -0.049 40.791 40.800 0.067 0.000 1.264 420 D HN 0.372 nan 8.370 nan 0.000 0.543 421 N N -0.198 118.528 118.700 0.043 0.000 2.204 421 N HA 0.130 4.866 4.740 -0.006 0.000 0.219 421 N C -0.489 175.006 175.510 -0.025 0.000 1.151 421 N CA -0.258 52.806 53.050 0.024 0.000 0.867 421 N CB 0.321 38.836 38.487 0.048 0.000 1.043 421 N HN 0.109 nan 8.380 nan 0.000 0.516 422 S N -2.619 113.031 115.700 -0.084 0.000 2.625 422 S HA 0.718 5.185 4.470 -0.006 0.000 0.271 422 S C 0.627 175.100 174.600 -0.211 0.000 1.161 422 S CA -0.422 57.712 58.200 -0.110 0.000 0.820 422 S CB 1.183 64.342 63.200 -0.070 0.000 1.137 422 S HN 0.071 nan 8.310 nan 0.000 0.470 423 A N 0.943 123.646 122.820 -0.195 0.000 2.024 423 A HA 0.044 4.360 4.320 -0.006 0.000 0.220 423 A C 1.853 179.258 177.584 -0.297 0.000 1.164 423 A CA 2.156 54.035 52.037 -0.263 0.000 0.643 423 A CB -1.618 17.285 19.000 -0.163 0.000 0.806 423 A HN 0.911 nan 8.150 nan 0.000 0.451 424 T N 0.164 114.584 114.554 -0.223 0.000 3.007 424 T HA -0.059 4.287 4.350 -0.006 0.000 0.270 424 T C 1.681 176.129 174.700 -0.420 0.000 1.107 424 T CA 1.658 63.628 62.100 -0.217 0.000 1.118 424 T CB -0.413 68.402 68.868 -0.088 0.000 0.889 424 T HN 0.802 nan 8.240 nan 0.000 0.506 425 T N -0.588 113.673 114.554 -0.488 0.000 3.122 425 T HA 0.242 4.588 4.350 -0.006 0.000 0.250 425 T C 0.650 174.738 174.700 -1.020 0.000 1.067 425 T CA -0.416 61.245 62.100 -0.732 0.000 0.966 425 T CB -0.099 68.667 68.868 -0.171 0.000 1.002 425 T HN 0.146 nan 8.240 nan 0.000 0.542 426 R N 1.408 121.384 120.500 -0.874 0.000 2.308 426 R HA 0.404 4.740 4.340 -0.006 0.000 0.325 426 R C -1.208 174.760 176.300 -0.553 0.000 1.161 426 R CA -0.429 55.215 56.100 -0.761 0.000 1.022 426 R CB -0.129 29.666 30.300 -0.842 0.000 1.091 426 R HN 0.257 nan 8.270 nan 0.000 0.497 427 F N 0.877 120.787 119.950 -0.067 0.000 2.405 427 F HA 0.285 4.808 4.527 -0.006 0.000 0.355 427 F C 1.207 177.032 175.800 0.041 0.000 1.121 427 F CA -0.756 57.269 58.000 0.042 0.000 1.112 427 F CB 1.568 40.671 39.000 0.171 0.000 1.126 427 F HN 0.521 nan 8.300 nan 0.000 0.481 428 A N 1.865 124.826 122.820 0.234 0.000 2.072 428 A HA 0.162 4.478 4.320 -0.006 0.000 0.216 428 A C 0.908 178.585 177.584 0.155 0.000 1.156 428 A CA 1.232 53.367 52.037 0.162 0.000 0.701 428 A CB -0.474 18.597 19.000 0.118 0.000 0.816 428 A HN 0.704 nan 8.150 nan 0.000 0.458 429 T N -5.417 109.255 114.554 0.196 0.000 2.864 429 T HA 0.700 5.046 4.350 -0.006 0.000 0.299 429 T C -0.087 174.714 174.700 0.168 0.000 1.166 429 T CA 0.057 62.225 62.100 0.113 0.000 1.007 429 T CB 1.621 70.514 68.868 0.041 0.000 1.219 429 T HN 1.418 nan 8.240 nan 0.000 0.506 430 G N 0.096 108.890 108.800 -0.010 0.000 2.512 430 G HA2 0.436 4.393 3.960 -0.006 0.000 0.181 430 G HA3 0.436 4.393 3.960 -0.006 0.000 0.181 430 G C -2.327 172.295 174.900 -0.464 0.000 1.173 430 G CA -0.811 44.238 45.100 -0.085 0.000 0.988 430 G HN 0.796 nan 8.290 nan 0.000 0.485 431 Y N -0.477 119.687 120.300 -0.226 0.000 2.442 431 Y HA 0.736 5.283 4.550 -0.006 0.000 0.344 431 Y C -1.022 174.915 175.900 0.062 0.000 0.976 431 Y CA -0.783 57.210 58.100 -0.178 0.000 1.040 431 Y CB 2.342 40.699 38.460 -0.173 0.000 1.228 431 Y HN 0.479 nan 8.280 nan 0.000 0.451 432 Y N 1.824 121.937 120.300 -0.311 0.000 2.487 432 Y HA 0.639 5.185 4.550 -0.006 0.000 0.337 432 Y C -0.222 175.296 175.900 -0.636 0.000 1.076 432 Y CA -1.989 55.870 58.100 -0.402 0.000 1.115 432 Y CB 2.172 40.215 38.460 -0.695 0.000 1.235 432 Y HN 0.510 nan 8.280 nan 0.000 0.468 433 R N 1.410 121.606 120.500 -0.506 0.000 2.575 433 R HA 0.732 5.069 4.340 -0.006 0.000 0.293 433 R C -2.248 173.837 176.300 -0.359 0.000 0.983 433 R CA -0.573 55.078 56.100 -0.749 0.000 0.887 433 R CB 1.592 30.826 30.300 -1.777 0.000 1.184 433 R HN 0.494 nan 8.270 nan 0.000 0.445 434 V N 4.801 124.645 119.914 -0.118 0.000 2.459 434 V HA 0.549 4.665 4.120 -0.006 0.000 0.295 434 V C -0.105 175.909 176.094 -0.134 0.000 1.029 434 V CA -0.696 61.610 62.300 0.010 0.000 0.874 434 V CB 1.720 33.720 31.823 0.296 0.000 0.985 434 V HN 0.753 nan 8.190 nan 0.000 0.438 435 R N 2.421 122.837 120.500 -0.141 0.000 2.740 435 R HA 0.887 5.224 4.340 -0.006 0.000 0.282 435 R C -0.810 175.333 176.300 -0.261 0.000 0.969 435 R CA -0.506 55.378 56.100 -0.361 0.000 0.918 435 R CB 2.275 32.239 30.300 -0.561 0.000 1.175 435 R HN 0.828 nan 8.270 nan 0.000 0.464 436 A N 2.382 124.970 122.820 -0.386 0.000 2.486 436 A HA 0.650 4.966 4.320 -0.006 0.000 0.300 436 A C -1.793 175.637 177.584 -0.256 0.000 1.048 436 A CA -0.635 51.349 52.037 -0.089 0.000 0.696 436 A CB 1.396 20.459 19.000 0.104 0.000 1.278 436 A HN 0.613 nan 8.150 nan 0.000 0.405 437 W N 2.805 124.132 121.300 0.045 0.000 2.739 437 W HA 0.441 5.097 4.660 -0.006 0.000 0.331 437 W C -0.211 176.312 176.519 0.006 0.000 1.049 437 W CA -0.571 56.795 57.345 0.035 0.000 1.234 437 W CB 1.465 30.942 29.460 0.029 0.000 1.404 437 W HN 0.591 nan 8.180 nan 0.000 0.477 438 I N 0.000 120.688 120.570 0.196 0.000 2.984 438 I HA 0.000 4.166 4.170 -0.006 0.000 0.288 438 I CA 0.000 61.361 61.300 0.102 0.000 1.566 438 I CB 0.000 38.041 38.000 0.068 0.000 1.214 438 I HN 0.000 nan 8.210 nan 0.000 0.494