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 2fsn_1_B DATA FIRST_RESID 2 DATA SEQUENCE VVVGLDVGYG DTKVIGVDGK RIIFPSRWAV TXXXXXXXXX XIPVLSTDGG DATA SEQUENCE QTKFIYGKYA SGNNIRVPQG DGRLASKEAF PLIAAALWES GIHNXXXXVD DATA SEQUENCE LVIGSGTPLG TFDLEVKAAK EALENKVLTV TGPEGEVRQF NITRLIXRPQ DATA SEQUENCE GVGAALYLLN QGIIEQQPGY GVVIDVGSRT TDVLTINLXD XEPVVELSFS DATA SEQUENCE LQIGVGDAIS ALSRKIAKET GFVVPFDLAQ EALSHPVXFR QKQVGGPEVS DATA SEQUENCE GPILEDLANR IIENIRLNLR GEVDRVTSLI PVGGGSNLIG DRFEEIAPGT DATA SEQUENCE LVKIKPEDLQ FANALGYRDA AERS 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.110 176.094 0.027 0.000 1.182 2 V CA 0.000 62.318 62.300 0.031 0.000 1.235 2 V CB 0.000 31.849 31.823 0.043 0.000 1.184 3 V N 2.966 122.894 119.914 0.023 0.000 2.483 3 V HA 0.711 4.832 4.120 0.001 0.000 0.297 3 V C -0.489 175.614 176.094 0.015 0.000 1.027 3 V CA -0.672 61.639 62.300 0.019 0.000 0.855 3 V CB 1.700 33.537 31.823 0.024 0.000 0.995 3 V HN 0.622 nan 8.190 nan 0.000 0.424 4 V N 2.771 122.687 119.914 0.003 0.000 2.581 4 V HA 0.866 4.987 4.120 0.001 0.000 0.303 4 V C 0.693 176.795 176.094 0.012 0.000 1.041 4 V CA -0.437 61.861 62.300 -0.003 0.000 0.907 4 V CB 1.892 33.691 31.823 -0.041 0.000 0.994 4 V HN 0.951 nan 8.190 nan 0.000 0.442 5 G N 2.815 111.636 108.800 0.035 0.000 2.379 5 G HA2 0.700 4.661 3.960 0.001 0.000 0.327 5 G HA3 0.700 4.661 3.960 0.001 0.000 0.327 5 G C -1.397 173.544 174.900 0.069 0.000 1.145 5 G CA -0.448 44.699 45.100 0.078 0.000 0.905 5 G HN 0.763 nan 8.290 nan 0.000 0.466 6 L N 1.240 122.514 121.223 0.087 0.000 2.409 6 L HA 0.837 5.177 4.340 0.001 0.000 0.262 6 L C -1.816 175.101 176.870 0.079 0.000 0.992 6 L CA -0.773 54.081 54.840 0.024 0.000 0.817 6 L CB 2.941 44.965 42.059 -0.058 0.000 1.350 6 L HN 0.433 nan 8.230 nan 0.000 0.411 7 D N 3.816 124.225 120.400 0.014 0.000 2.381 7 D HA 0.300 4.940 4.640 0.001 0.000 0.245 7 D C -0.922 175.324 176.300 -0.091 0.000 1.297 7 D CA -0.068 53.959 54.000 0.046 0.000 0.931 7 D CB 1.491 42.363 40.800 0.120 0.000 1.334 7 D HN 0.642 nan 8.370 nan 0.000 0.535 8 V N 2.593 122.441 119.914 -0.111 0.000 2.313 8 V HA 0.684 4.805 4.120 0.001 0.000 0.252 8 V C 1.125 177.139 176.094 -0.133 0.000 1.112 8 V CA 0.376 62.597 62.300 -0.132 0.000 0.984 8 V CB 0.623 32.376 31.823 -0.116 0.000 1.157 8 V HN 0.394 nan 8.190 nan 0.000 0.493 9 G N 1.490 110.216 108.800 -0.123 0.000 2.547 9 G HA2 0.367 4.328 3.960 0.001 0.000 0.291 9 G HA3 0.367 4.328 3.960 0.001 0.000 0.291 9 G C 0.322 175.184 174.900 -0.063 0.000 1.211 9 G CA -0.170 44.859 45.100 -0.118 0.000 0.950 9 G HN 0.614 nan 8.290 nan 0.000 0.504 10 Y N 0.043 120.336 120.300 -0.011 0.000 2.207 10 Y HA -0.119 4.432 4.550 0.001 0.000 0.287 10 Y C 2.708 178.615 175.900 0.011 0.000 1.156 10 Y CA 1.495 59.599 58.100 0.006 0.000 1.182 10 Y CB 0.245 38.710 38.460 0.007 0.000 0.979 10 Y HN 0.546 nan 8.280 nan 0.000 0.521 11 G N -1.277 107.621 108.800 0.162 0.000 2.599 11 G HA2 0.027 3.988 3.960 0.001 0.000 0.210 11 G HA3 0.027 3.988 3.960 0.001 0.000 0.210 11 G C -0.610 174.319 174.900 0.047 0.000 1.177 11 G CA 0.218 45.373 45.100 0.092 0.000 0.835 11 G HN 0.172 nan 8.290 nan 0.000 0.575 12 D N 0.007 120.396 120.400 -0.018 0.000 2.481 12 D HA 0.511 5.152 4.640 0.001 0.000 0.244 12 D C -0.505 175.688 176.300 -0.179 0.000 1.057 12 D CA -0.350 53.597 54.000 -0.088 0.000 0.848 12 D CB 1.732 42.457 40.800 -0.125 0.000 1.388 12 D HN -0.050 nan 8.370 nan 0.000 0.475 13 T N 1.484 115.859 114.554 -0.297 0.000 2.918 13 T HA 0.371 4.721 4.350 0.001 0.000 0.302 13 T C -0.028 174.366 174.700 -0.510 0.000 1.045 13 T CA -0.114 61.717 62.100 -0.447 0.000 1.114 13 T CB 0.422 68.832 68.868 -0.764 0.000 0.965 13 T HN 0.124 nan 8.240 nan 0.000 0.540 14 K N 1.342 121.508 120.400 -0.389 0.000 2.541 14 K HA 0.652 4.973 4.320 0.001 0.000 0.250 14 K C -1.610 174.882 176.600 -0.181 0.000 0.950 14 K CA -0.532 55.545 56.287 -0.351 0.000 0.805 14 K CB 2.108 34.343 32.500 -0.442 0.000 1.166 14 K HN 0.364 nan 8.250 nan 0.000 0.430 15 V N 5.034 124.909 119.914 -0.064 0.000 2.709 15 V HA 0.587 4.708 4.120 0.001 0.000 0.308 15 V C -1.480 174.666 176.094 0.086 0.000 1.062 15 V CA -0.848 61.452 62.300 0.000 0.000 0.901 15 V CB 1.492 33.295 31.823 -0.032 0.000 1.003 15 V HN 0.611 nan 8.190 nan 0.000 0.425 16 I N 6.423 127.032 120.570 0.065 0.000 2.354 16 I HA 0.658 4.829 4.170 0.001 0.000 0.292 16 I C 0.794 176.929 176.117 0.030 0.000 0.989 16 I CA 0.274 61.605 61.300 0.051 0.000 1.188 16 I CB 0.724 38.746 38.000 0.037 0.000 1.342 16 I HN 0.765 nan 8.210 nan 0.000 0.457 17 G N 5.309 114.123 108.800 0.024 0.000 3.054 17 G HA2 0.319 4.280 3.960 0.001 0.000 0.201 17 G HA3 0.319 4.280 3.960 0.001 0.000 0.201 17 G C -0.435 174.474 174.900 0.015 0.000 1.694 17 G CA -0.068 45.044 45.100 0.019 0.000 0.742 17 G HN 0.300 nan 8.290 nan 0.000 0.790 18 V N 1.983 121.905 119.914 0.014 0.000 2.408 18 V HA 0.358 4.479 4.120 0.001 0.000 0.267 18 V C -0.488 175.609 176.094 0.006 0.000 1.047 18 V CA 0.120 62.427 62.300 0.011 0.000 0.937 18 V CB 0.412 32.241 31.823 0.010 0.000 0.999 18 V HN 0.687 nan 8.190 nan 0.000 0.472 19 D N 4.787 125.191 120.400 0.007 0.000 2.686 19 D HA -0.177 4.464 4.640 0.001 0.000 0.235 19 D C 1.020 177.320 176.300 0.001 0.000 1.160 19 D CA 1.385 55.387 54.000 0.004 0.000 0.645 19 D CB -1.282 39.519 40.800 0.001 0.000 1.039 19 D HN 1.390 nan 8.370 nan 0.000 0.423 20 G N -1.419 107.384 108.800 0.004 0.000 2.366 20 G HA2 -0.098 3.862 3.960 0.001 0.000 0.299 20 G HA3 -0.098 3.862 3.960 0.001 0.000 0.299 20 G C 0.495 175.378 174.900 -0.027 0.000 1.020 20 G CA 0.762 45.859 45.100 -0.004 0.000 1.026 20 G HN 0.941 nan 8.290 nan 0.000 0.512 21 K N 0.355 120.744 120.400 -0.018 0.000 2.295 21 K HA 0.654 4.975 4.320 0.001 0.000 0.270 21 K C 0.710 177.290 176.600 -0.035 0.000 1.011 21 K CA -0.019 56.250 56.287 -0.029 0.000 0.953 21 K CB 0.469 32.969 32.500 -0.001 0.000 0.956 21 K HN 0.650 nan 8.250 nan 0.000 0.477 22 R N 0.904 121.353 120.500 -0.085 0.000 2.278 22 R HA 0.459 4.800 4.340 0.001 0.000 0.322 22 R C 0.320 176.658 176.300 0.063 0.000 1.058 22 R CA -0.143 55.893 56.100 -0.107 0.000 0.991 22 R CB 0.211 30.171 30.300 -0.567 0.000 1.140 22 R HN 0.709 nan 8.270 nan 0.000 0.518 23 I N 2.331 122.993 120.570 0.154 0.000 2.764 23 I HA 0.585 4.756 4.170 0.001 0.000 0.294 23 I C 0.175 176.415 176.117 0.205 0.000 1.045 23 I CA -0.633 60.783 61.300 0.194 0.000 1.340 23 I CB 0.922 39.040 38.000 0.195 0.000 1.436 23 I HN 0.869 nan 8.210 nan 0.000 0.567 24 I N 5.049 125.710 120.570 0.151 0.000 2.654 24 I HA 0.544 4.714 4.170 0.001 0.000 0.282 24 I C -1.266 174.899 176.117 0.081 0.000 1.258 24 I CA -0.338 60.950 61.300 -0.020 0.000 1.088 24 I CB 0.920 38.965 38.000 0.074 0.000 1.316 24 I HN 0.711 nan 8.210 nan 0.000 0.448 25 F N 6.144 126.147 119.950 0.090 0.000 2.522 25 F HA 0.874 5.402 4.527 0.001 0.000 0.324 25 F C -2.650 173.210 175.800 0.101 0.000 1.077 25 F CA -3.163 54.916 58.000 0.132 0.000 0.944 25 F CB 0.078 39.208 39.000 0.216 0.000 1.175 25 F HN 0.120 nan 8.300 nan 0.000 0.468 26 P HA 0.024 nan 4.420 nan 0.000 0.267 26 P C -0.481 176.992 177.300 0.288 0.000 1.201 26 P CA -0.051 63.171 63.100 0.203 0.000 0.775 26 P CB 0.567 32.375 31.700 0.179 0.000 0.854 27 S N 3.032 118.850 115.700 0.197 0.000 3.940 27 S HA 0.252 4.722 4.470 0.001 0.000 0.210 27 S C -0.149 174.607 174.600 0.259 0.000 1.419 27 S CA -0.428 57.902 58.200 0.217 0.000 0.912 27 S CB -0.861 62.413 63.200 0.125 0.000 1.489 27 S HN 0.312 nan 8.310 nan 0.000 0.469 28 R N 1.842 122.545 120.500 0.338 0.000 2.523 28 R HA 0.366 4.707 4.340 0.001 0.000 0.278 28 R C -1.172 175.383 176.300 0.426 0.000 1.150 28 R CA -0.878 55.408 56.100 0.311 0.000 0.987 28 R CB 1.057 31.474 30.300 0.194 0.000 1.232 28 R HN 0.447 nan 8.270 nan 0.000 0.424 29 W N 1.470 122.839 121.300 0.116 0.000 2.578 29 W HA 0.887 5.548 4.660 0.001 0.000 0.364 29 W C -1.257 175.314 176.519 0.087 0.000 1.144 29 W CA -1.657 55.759 57.345 0.118 0.000 1.242 29 W CB 1.051 30.468 29.460 -0.071 0.000 1.382 29 W HN 0.681 nan 8.180 nan 0.000 0.625 30 A N 1.210 124.137 122.820 0.177 0.000 2.540 30 A HA 0.565 4.886 4.320 0.001 0.000 0.297 30 A C -1.278 176.376 177.584 0.118 0.000 1.056 30 A CA -0.730 51.292 52.037 -0.024 0.000 0.700 30 A CB 1.028 20.026 19.000 -0.002 0.000 1.280 30 A HN 0.496 nan 8.150 nan 0.000 0.398 31 V N 0.971 120.901 119.914 0.027 0.000 2.881 31 V HA 0.715 4.836 4.120 0.001 0.000 0.303 31 V C 0.846 176.990 176.094 0.083 0.000 1.070 31 V CA 0.235 62.607 62.300 0.121 0.000 1.074 31 V CB 1.383 33.245 31.823 0.064 0.000 1.012 31 V HN 1.086 nan 8.190 nan 0.000 0.482 44 P HA 0.536 nan 4.420 nan 0.000 0.301 44 P C -0.407 176.637 177.300 -0.427 0.000 1.348 44 P CA -0.223 62.653 63.100 -0.374 0.000 0.826 44 P CB 1.659 33.092 31.700 -0.445 0.000 0.945 45 V N 2.278 121.983 119.914 -0.348 0.000 2.607 45 V HA 0.706 4.827 4.120 0.001 0.000 0.289 45 V C 0.244 176.039 176.094 -0.497 0.000 1.053 45 V CA -0.362 61.716 62.300 -0.371 0.000 0.996 45 V CB 1.122 32.796 31.823 -0.248 0.000 0.995 45 V HN 0.770 nan 8.190 nan 0.000 0.476 46 L N 2.721 123.506 121.223 -0.729 0.000 2.357 46 L HA 1.053 5.394 4.340 0.001 0.000 0.244 46 L C 0.024 176.411 176.870 -0.805 0.000 1.115 46 L CA -0.226 54.139 54.840 -0.793 0.000 0.919 46 L CB 1.351 42.898 42.059 -0.855 0.000 1.532 46 L HN 1.402 nan 8.230 nan 0.000 0.416 47 S N -2.069 113.352 115.700 -0.464 0.000 2.570 47 S HA 0.662 5.132 4.470 0.001 0.000 0.286 47 S C 0.510 175.146 174.600 0.060 0.000 1.143 47 S CA 0.989 59.112 58.200 -0.129 0.000 0.921 47 S CB 1.237 64.379 63.200 -0.096 0.000 1.108 47 S HN 2.194 nan 8.310 nan 0.000 0.456 48 T N 1.319 115.989 114.554 0.193 0.000 3.040 48 T HA 0.261 4.612 4.350 0.001 0.000 0.252 48 T C 1.367 176.137 174.700 0.116 0.000 1.064 48 T CA 1.421 63.642 62.100 0.202 0.000 1.110 48 T CB -0.596 68.424 68.868 0.253 0.000 0.921 48 T HN 0.748 nan 8.240 nan 0.000 0.480 49 D N 0.625 121.073 120.400 0.080 0.000 2.216 49 D HA 0.416 5.057 4.640 0.001 0.000 0.208 49 D C 1.394 177.719 176.300 0.042 0.000 0.960 49 D CA 0.861 54.888 54.000 0.044 0.000 0.861 49 D CB -0.435 40.385 40.800 0.033 0.000 0.985 49 D HN 1.323 nan 8.370 nan 0.000 0.493 50 G N -1.673 107.151 108.800 0.040 0.000 2.826 50 G HA2 0.446 4.407 3.960 0.001 0.000 0.623 50 G HA3 0.446 4.407 3.960 0.001 0.000 0.623 50 G C 1.067 175.976 174.900 0.015 0.000 1.127 50 G CA 0.471 45.585 45.100 0.025 0.000 1.165 50 G HN 1.797 nan 8.290 nan 0.000 0.504 51 G N 2.629 111.431 108.800 0.003 0.000 3.594 51 G HA2 -0.218 3.742 3.960 0.001 0.000 0.285 51 G HA3 -0.218 3.742 3.960 0.001 0.000 0.285 51 G C 1.714 176.622 174.900 0.013 0.000 1.551 51 G CA 1.388 46.488 45.100 0.000 0.000 1.061 51 G HN 2.000 nan 8.290 nan 0.000 0.624 52 Q N 0.623 120.435 119.800 0.019 0.000 2.096 52 Q HA -0.297 4.043 4.340 0.001 0.000 0.218 52 Q C 1.719 177.748 176.000 0.049 0.000 1.069 52 Q CA 2.850 58.670 55.803 0.028 0.000 0.927 52 Q CB -2.399 26.355 28.738 0.027 0.000 1.064 52 Q HN 1.652 nan 8.270 nan 0.000 0.445 53 T N -0.346 114.249 114.554 0.070 0.000 2.930 53 T HA 0.550 4.901 4.350 0.001 0.000 0.306 53 T C -0.012 174.766 174.700 0.131 0.000 1.045 53 T CA 0.242 62.417 62.100 0.125 0.000 1.134 53 T CB 1.332 70.286 68.868 0.142 0.000 0.961 53 T HN 0.754 nan 8.240 nan 0.000 0.545 54 K N 1.847 122.364 120.400 0.195 0.000 2.584 54 K HA 0.567 4.888 4.320 0.001 0.000 0.260 54 K C -1.206 175.511 176.600 0.194 0.000 0.949 54 K CA -0.876 55.472 56.287 0.102 0.000 0.888 54 K CB 0.638 33.130 32.500 -0.013 0.000 1.330 54 K HN 1.221 nan 8.250 nan 0.000 0.432 55 F N -0.117 119.881 119.950 0.079 0.000 2.613 55 F HA 0.875 5.403 4.527 0.001 0.000 0.310 55 F C -0.698 175.134 175.800 0.054 0.000 1.085 55 F CA -1.709 56.370 58.000 0.133 0.000 0.945 55 F CB 1.011 40.220 39.000 0.347 0.000 1.298 55 F HN 0.405 nan 8.300 nan 0.000 0.455 56 I N 2.238 122.927 120.570 0.199 0.000 2.664 56 I HA 0.438 4.609 4.170 0.001 0.000 0.308 56 I C -0.551 175.783 176.117 0.362 0.000 0.984 56 I CA -1.000 60.330 61.300 0.050 0.000 1.213 56 I CB 1.316 39.279 38.000 -0.063 0.000 1.379 56 I HN 0.768 nan 8.210 nan 0.000 0.501 57 Y N 1.974 122.415 120.300 0.235 0.000 2.686 57 Y HA 0.943 5.494 4.550 0.001 0.000 0.330 57 Y C 0.465 176.454 175.900 0.149 0.000 1.082 57 Y CA -0.872 57.360 58.100 0.220 0.000 1.158 57 Y CB 0.182 38.695 38.460 0.089 0.000 1.333 57 Y HN 0.861 nan 8.280 nan 0.000 0.519 58 G N -0.369 108.723 108.800 0.487 0.000 2.584 58 G HA2 -0.023 3.937 3.960 0.001 0.000 0.229 58 G HA3 -0.023 3.937 3.960 0.001 0.000 0.229 58 G C 0.664 175.720 174.900 0.260 0.000 1.320 58 G CA 1.021 46.376 45.100 0.425 0.000 0.891 58 G HN 1.361 nan 8.290 nan 0.000 0.573 59 K N -1.713 118.799 120.400 0.187 0.000 2.209 59 K HA 0.044 4.364 4.320 0.001 0.000 0.204 59 K C 2.308 178.913 176.600 0.009 0.000 1.048 59 K CA 2.631 58.950 56.287 0.054 0.000 0.940 59 K CB -0.562 31.904 32.500 -0.057 0.000 0.729 59 K HN 0.707 nan 8.250 nan 0.000 0.451 60 Y N 0.397 120.722 120.300 0.042 0.000 2.314 60 Y HA 0.372 4.923 4.550 0.001 0.000 0.294 60 Y C 1.795 177.704 175.900 0.015 0.000 1.119 60 Y CA -0.192 57.913 58.100 0.009 0.000 1.179 60 Y CB -0.313 38.125 38.460 -0.037 0.000 1.025 60 Y HN 0.327 nan 8.280 nan 0.000 0.541 61 A N 0.487 123.425 122.820 0.196 0.000 2.531 61 A HA 0.472 4.792 4.320 0.001 0.000 0.236 61 A C 0.438 178.083 177.584 0.102 0.000 1.062 61 A CA 1.014 53.135 52.037 0.139 0.000 0.760 61 A CB -0.821 18.276 19.000 0.163 0.000 0.995 61 A HN 0.487 nan 8.150 nan 0.000 0.501 62 S N 0.039 115.781 115.700 0.069 0.000 2.579 62 S HA 0.780 5.251 4.470 0.001 0.000 0.290 62 S C 0.102 174.716 174.600 0.024 0.000 1.123 62 S CA 0.348 58.576 58.200 0.047 0.000 0.894 62 S CB 0.446 63.681 63.200 0.058 0.000 1.095 62 S HN 2.756 nan 8.310 nan 0.000 0.450 63 G N 0.175 108.981 108.800 0.010 0.000 2.298 63 G HA2 0.480 4.441 3.960 0.001 0.000 0.309 63 G HA3 0.480 4.441 3.960 0.001 0.000 0.309 63 G C 0.326 175.216 174.900 -0.016 0.000 1.279 63 G CA 0.786 45.884 45.100 -0.003 0.000 1.042 63 G HN 1.816 nan 8.290 nan 0.000 0.480 64 N N -1.353 117.332 118.700 -0.024 0.000 2.420 64 N HA 0.330 5.071 4.740 0.001 0.000 0.185 64 N C 1.765 177.245 175.510 -0.051 0.000 1.033 64 N CA 1.913 54.945 53.050 -0.031 0.000 0.879 64 N CB -0.569 37.903 38.487 -0.025 0.000 1.071 64 N HN 1.996 nan 8.380 nan 0.000 0.437 65 N N 1.322 119.985 118.700 -0.062 0.000 3.243 65 N HA 0.416 5.157 4.740 0.001 0.000 0.310 65 N C -0.403 175.016 175.510 -0.152 0.000 1.313 65 N CA -0.159 52.833 53.050 -0.098 0.000 1.204 65 N CB -0.690 37.745 38.487 -0.087 0.000 1.483 65 N HN 0.520 nan 8.380 nan 0.000 0.553 66 I N 1.325 121.810 120.570 -0.143 0.000 2.331 66 I HA 0.373 4.544 4.170 0.001 0.000 0.292 66 I C 1.020 176.985 176.117 -0.253 0.000 0.998 66 I CA -0.735 60.460 61.300 -0.175 0.000 1.267 66 I CB 0.700 38.651 38.000 -0.082 0.000 1.386 66 I HN 0.597 nan 8.210 nan 0.000 0.476 67 R N 5.841 126.057 120.500 -0.474 0.000 2.410 67 R HA 0.724 5.065 4.340 0.001 0.000 0.288 67 R C -0.533 175.662 176.300 -0.175 0.000 1.051 67 R CA -0.448 55.330 56.100 -0.538 0.000 1.021 67 R CB 1.147 30.554 30.300 -1.489 0.000 1.032 67 R HN 0.650 nan 8.270 nan 0.000 0.481 68 V N -1.360 118.553 119.914 -0.001 0.000 3.181 68 V HA 0.917 5.038 4.120 0.001 0.000 0.308 68 V C -2.990 173.207 176.094 0.172 0.000 1.214 68 V CA -2.904 59.472 62.300 0.127 0.000 1.053 68 V CB 2.499 34.381 31.823 0.098 0.000 1.069 68 V HN 0.749 nan 8.190 nan 0.000 0.441 69 P HA 0.435 nan 4.420 nan 0.000 0.278 69 P C -0.336 177.106 177.300 0.238 0.000 1.238 69 P CA -0.187 63.006 63.100 0.156 0.000 0.794 69 P CB 0.948 32.688 31.700 0.065 0.000 0.955 70 Q N 0.716 120.630 119.800 0.190 0.000 2.324 70 Q HA 0.202 4.543 4.340 0.001 0.000 0.207 70 Q C 1.072 177.316 176.000 0.406 0.000 0.928 70 Q CA 0.826 56.777 55.803 0.247 0.000 0.890 70 Q CB -0.008 28.810 28.738 0.133 0.000 1.001 70 Q HN 0.613 nan 8.270 nan 0.000 0.517 71 G N 0.466 109.338 108.800 0.120 0.000 2.473 71 G HA2 0.311 4.272 3.960 0.001 0.000 0.321 71 G HA3 0.311 4.272 3.960 0.001 0.000 0.321 71 G C -1.273 173.166 174.900 -0.768 0.000 1.200 71 G CA -0.406 44.615 45.100 -0.130 0.000 0.963 71 G HN -0.164 nan 8.290 nan 0.000 0.483 72 D N -0.093 119.692 120.400 -1.025 0.000 2.389 72 D HA 0.388 5.029 4.640 0.001 0.000 0.247 72 D C 1.408 177.506 176.300 -0.336 0.000 1.128 72 D CA 1.230 54.781 54.000 -0.748 0.000 0.884 72 D CB 0.952 41.503 40.800 -0.416 0.000 1.194 72 D HN 0.991 nan 8.370 nan 0.000 0.441 73 G N 4.006 112.652 108.800 -0.256 0.000 2.356 73 G HA2 -0.277 3.684 3.960 0.001 0.000 0.296 73 G HA3 -0.277 3.684 3.960 0.001 0.000 0.296 73 G C 0.111 174.917 174.900 -0.157 0.000 1.022 73 G CA 0.013 45.008 45.100 -0.174 0.000 0.961 73 G HN 0.519 nan 8.290 nan 0.000 0.510 74 R N -0.158 120.251 120.500 -0.153 0.000 2.278 74 R HA 0.406 4.747 4.340 0.001 0.000 0.322 74 R C 1.141 177.387 176.300 -0.089 0.000 1.058 74 R CA -0.595 55.441 56.100 -0.108 0.000 0.991 74 R CB 0.545 30.796 30.300 -0.082 0.000 1.140 74 R HN 0.339 nan 8.270 nan 0.000 0.518 75 L N 0.826 121.991 121.223 -0.097 0.000 2.477 75 L HA 0.161 4.502 4.340 0.001 0.000 0.220 75 L C 2.041 178.884 176.870 -0.045 0.000 1.106 75 L CA 0.556 55.342 54.840 -0.091 0.000 0.851 75 L CB -0.007 41.979 42.059 -0.122 0.000 0.994 75 L HN 0.526 nan 8.230 nan 0.000 0.462 76 A N 0.019 122.818 122.820 -0.034 0.000 2.169 76 A HA 0.035 4.355 4.320 0.001 0.000 0.212 76 A C 1.483 179.082 177.584 0.026 0.000 1.153 76 A CA 0.468 52.506 52.037 0.002 0.000 0.756 76 A CB -0.346 18.643 19.000 -0.019 0.000 0.813 76 A HN 0.411 nan 8.150 nan 0.000 0.471 77 S N 0.221 115.931 115.700 0.016 0.000 2.579 77 S HA 0.162 4.632 4.470 0.001 0.000 0.275 77 S C 0.797 175.438 174.600 0.068 0.000 1.345 77 S CA 0.170 58.392 58.200 0.036 0.000 1.031 77 S CB 0.775 63.993 63.200 0.030 0.000 0.892 77 S HN 0.518 nan 8.310 nan 0.000 0.529 78 K N 0.168 120.616 120.400 0.081 0.000 2.487 78 K HA 0.114 4.435 4.320 0.001 0.000 0.192 78 K C 0.233 176.962 176.600 0.215 0.000 1.027 78 K CA 0.600 56.951 56.287 0.107 0.000 1.054 78 K CB -0.129 32.424 32.500 0.087 0.000 0.824 78 K HN 0.643 nan 8.250 nan 0.000 0.510 79 E N 0.173 120.501 120.200 0.214 0.000 2.463 79 E HA 0.140 4.491 4.350 0.001 0.000 0.193 79 E C 0.902 177.650 176.600 0.246 0.000 1.041 79 E CA 0.283 56.901 56.400 0.362 0.000 0.879 79 E CB 1.072 30.922 29.700 0.250 0.000 0.997 79 E HN 0.487 nan 8.360 nan 0.000 0.478 80 A N -0.572 122.283 122.820 0.058 0.000 1.975 80 A HA 0.159 4.480 4.320 0.001 0.000 0.197 80 A C 1.519 179.015 177.584 -0.147 0.000 1.537 80 A CA -0.338 51.675 52.037 -0.041 0.000 0.972 80 A CB -0.538 18.444 19.000 -0.029 0.000 1.019 80 A HN 0.249 nan 8.150 nan 0.000 0.488 81 F N 1.940 121.744 119.950 -0.243 0.000 2.063 81 F HA -0.224 4.304 4.527 0.001 0.000 0.297 81 F C -0.717 174.853 175.800 -0.383 0.000 1.099 81 F CA 3.247 61.089 58.000 -0.263 0.000 1.220 81 F CB -0.756 38.109 39.000 -0.225 0.000 0.972 81 F HN 0.175 nan 8.300 nan 0.000 0.487 82 P HA -0.176 nan 4.420 nan 0.000 0.216 82 P C 1.966 178.970 177.300 -0.493 0.000 1.150 82 P CA 1.569 64.203 63.100 -0.777 0.000 0.837 82 P CB -0.109 30.289 31.700 -2.170 0.000 0.786 83 L N -1.349 119.621 121.223 -0.422 0.000 2.046 83 L HA -0.172 4.169 4.340 0.001 0.000 0.208 83 L C 2.420 179.249 176.870 -0.068 0.000 1.077 83 L CA 1.468 56.246 54.840 -0.103 0.000 0.747 83 L CB -0.852 41.224 42.059 0.029 0.000 0.896 83 L HN -0.044 nan 8.230 nan 0.000 0.432 84 I N 0.082 120.535 120.570 -0.195 0.000 2.099 84 I HA -0.311 3.860 4.170 0.001 0.000 0.239 84 I C 2.817 178.800 176.117 -0.224 0.000 1.066 84 I CA 1.489 62.651 61.300 -0.231 0.000 1.324 84 I CB -0.527 37.239 38.000 -0.389 0.000 1.037 84 I HN 0.207 nan 8.210 nan 0.000 0.401 85 A N 0.629 123.286 122.820 -0.272 0.000 1.930 85 A HA -0.072 4.248 4.320 0.001 0.000 0.217 85 A C 2.539 180.113 177.584 -0.017 0.000 1.175 85 A CA 1.521 53.468 52.037 -0.150 0.000 0.627 85 A CB -0.808 18.160 19.000 -0.052 0.000 0.815 85 A HN 0.446 nan 8.150 nan 0.000 0.443 86 A N -0.050 122.726 122.820 -0.072 0.000 1.986 86 A HA 0.050 4.370 4.320 0.001 0.000 0.220 86 A C 2.412 179.855 177.584 -0.235 0.000 1.171 86 A CA 2.276 54.119 52.037 -0.324 0.000 0.640 86 A CB -0.835 17.696 19.000 -0.782 0.000 0.811 86 A HN 1.000 nan 8.150 nan 0.000 0.451 87 A N -0.226 122.622 122.820 0.048 0.000 1.854 87 A HA 0.068 4.389 4.320 0.001 0.000 0.214 87 A C 2.079 179.678 177.584 0.026 0.000 1.192 87 A CA 1.223 53.379 52.037 0.199 0.000 0.611 87 A CB -0.649 18.409 19.000 0.097 0.000 0.832 87 A HN 0.451 nan 8.150 nan 0.000 0.442 88 L N -1.465 119.652 121.223 -0.178 0.000 2.137 88 L HA -0.260 4.081 4.340 0.001 0.000 0.213 88 L C 2.619 179.364 176.870 -0.210 0.000 1.085 88 L CA 1.520 56.063 54.840 -0.495 0.000 0.760 88 L CB -0.607 40.731 42.059 -1.201 0.000 0.893 88 L HN 0.736 nan 8.230 nan 0.000 0.434 89 W N 1.726 122.971 121.300 -0.092 0.000 2.352 89 W HA -0.205 4.456 4.660 0.001 0.000 0.322 89 W C 2.086 178.671 176.519 0.109 0.000 1.208 89 W CA 1.564 58.980 57.345 0.118 0.000 1.286 89 W CB -0.123 29.389 29.460 0.085 0.000 1.167 89 W HN 0.178 nan 8.180 nan 0.000 0.469 90 E N 0.186 120.563 120.200 0.293 0.000 2.515 90 E HA -0.112 4.239 4.350 0.001 0.000 0.201 90 E C 1.351 178.024 176.600 0.123 0.000 1.071 90 E CA 0.916 57.457 56.400 0.235 0.000 0.880 90 E CB -0.193 29.691 29.700 0.307 0.000 0.828 90 E HN 0.123 nan 8.360 nan 0.000 0.540 91 S N -0.216 115.523 115.700 0.065 0.000 2.526 91 S HA 0.284 4.755 4.470 0.001 0.000 0.247 91 S C 0.856 175.466 174.600 0.017 0.000 1.076 91 S CA -0.108 58.112 58.200 0.035 0.000 1.105 91 S CB 0.221 63.425 63.200 0.008 0.000 0.793 91 S HN 0.192 nan 8.310 nan 0.000 0.458 92 G N 0.757 109.544 108.800 -0.021 0.000 2.172 92 G HA2 -0.042 3.918 3.960 0.001 0.000 0.244 92 G HA3 -0.042 3.918 3.960 0.001 0.000 0.244 92 G C 0.134 175.024 174.900 -0.016 0.000 0.743 92 G CA 0.335 45.407 45.100 -0.047 0.000 1.146 92 G HN 1.398 nan 8.290 nan 0.000 0.327 93 I N -0.443 120.116 120.570 -0.018 0.000 3.062 93 I HA 1.072 5.242 4.170 0.001 0.000 0.316 93 I C 0.656 176.710 176.117 -0.105 0.000 1.041 93 I CA -0.238 61.062 61.300 -0.001 0.000 1.069 93 I CB 1.388 39.466 38.000 0.130 0.000 1.300 93 I HN 2.179 nan 8.210 nan 0.000 0.518 94 H N 0.777 119.784 119.070 -0.104 0.000 3.137 94 H HA 0.849 5.406 4.556 0.001 0.000 0.336 94 H C -0.484 174.782 175.328 -0.103 0.000 1.055 94 H CA 0.121 56.101 56.048 -0.113 0.000 1.349 94 H CB -0.155 29.561 29.762 -0.076 0.000 1.939 94 H HN 2.075 nan 8.280 nan 0.000 0.487 101 D N 2.784 123.211 120.400 0.044 0.000 2.329 101 D HA 1.009 5.650 4.640 0.001 0.000 0.232 101 D C -0.375 175.961 176.300 0.061 0.000 1.088 101 D CA 0.320 54.350 54.000 0.050 0.000 0.835 101 D CB 1.713 42.530 40.800 0.029 0.000 1.078 101 D HN 2.364 nan 8.370 nan 0.000 0.495 102 L N 0.700 121.966 121.223 0.072 0.000 2.385 102 L HA 0.964 5.304 4.340 0.001 0.000 0.273 102 L C 0.462 177.348 176.870 0.028 0.000 0.990 102 L CA -0.943 53.931 54.840 0.056 0.000 0.821 102 L CB 0.793 42.896 42.059 0.072 0.000 1.279 102 L HN 1.251 nan 8.230 nan 0.000 0.412 103 V N 1.956 121.879 119.914 0.016 0.000 2.863 103 V HA 0.871 4.991 4.120 0.001 0.000 0.307 103 V C 0.092 176.181 176.094 -0.009 0.000 1.061 103 V CA -0.885 61.418 62.300 0.004 0.000 1.024 103 V CB 1.321 33.149 31.823 0.009 0.000 1.049 103 V HN 0.839 nan 8.190 nan 0.000 0.471 104 I N 2.724 123.281 120.570 -0.021 0.000 2.545 104 I HA 0.614 4.785 4.170 0.001 0.000 0.292 104 I C 0.317 176.420 176.117 -0.025 0.000 1.040 104 I CA -0.720 60.559 61.300 -0.034 0.000 1.068 104 I CB 1.937 39.896 38.000 -0.069 0.000 1.251 104 I HN 0.713 nan 8.210 nan 0.000 0.424 105 G N 2.893 111.693 108.800 -0.000 0.000 2.417 105 G HA2 0.583 4.544 3.960 0.001 0.000 0.320 105 G HA3 0.583 4.544 3.960 0.001 0.000 0.320 105 G C -0.846 174.037 174.900 -0.027 0.000 1.204 105 G CA -0.210 44.898 45.100 0.014 0.000 0.923 105 G HN 0.564 nan 8.290 nan 0.000 0.466 106 S N 0.617 116.175 115.700 -0.237 0.000 2.903 106 S HA 0.946 5.417 4.470 0.001 0.000 0.314 106 S C 0.154 173.998 174.600 -1.260 0.000 1.177 106 S CA 0.180 58.029 58.200 -0.584 0.000 0.859 106 S CB 1.446 64.455 63.200 -0.318 0.000 1.265 106 S HN 1.423 nan 8.310 nan 0.000 0.584 107 G N -0.643 107.401 108.800 -1.261 0.000 2.782 107 G HA2 0.667 4.628 3.960 0.001 0.000 0.304 107 G HA3 0.667 4.628 3.960 0.001 0.000 0.304 107 G C -0.988 173.732 174.900 -0.299 0.000 1.315 107 G CA 0.093 44.713 45.100 -0.800 0.000 0.791 107 G HN 1.147 nan 8.290 nan 0.000 0.519 108 T N 0.156 114.662 114.554 -0.080 0.000 3.385 108 T HA 0.445 4.796 4.350 0.001 0.000 0.417 108 T C -3.191 171.563 174.700 0.090 0.000 1.688 108 T CA -0.509 61.577 62.100 -0.023 0.000 1.107 108 T CB 1.629 70.447 68.868 -0.084 0.000 1.591 108 T HN 0.414 nan 8.240 nan 0.000 0.468 109 P HA 0.265 nan 4.420 nan 0.000 0.272 109 P C 1.014 178.383 177.300 0.115 0.000 1.223 109 P CA -0.606 62.533 63.100 0.066 0.000 0.784 109 P CB 0.525 32.246 31.700 0.036 0.000 0.923 110 L N 3.408 124.675 121.223 0.073 0.000 2.012 110 L HA -0.113 4.228 4.340 0.001 0.000 0.210 110 L C 2.448 179.376 176.870 0.097 0.000 1.073 110 L CA 2.729 57.611 54.840 0.070 0.000 0.748 110 L CB -1.696 40.345 42.059 -0.032 0.000 0.891 110 L HN 0.589 nan 8.230 nan 0.000 0.431 111 G N -1.577 107.262 108.800 0.064 0.000 2.728 111 G HA2 -0.430 3.531 3.960 0.001 0.000 0.224 111 G HA3 -0.430 3.531 3.960 0.001 0.000 0.224 111 G C 1.137 176.079 174.900 0.071 0.000 1.139 111 G CA 1.677 46.816 45.100 0.065 0.000 0.761 111 G HN 0.571 nan 8.290 nan 0.000 0.621 112 T N -3.463 111.137 114.554 0.078 0.000 3.483 112 T HA 0.408 4.758 4.350 0.001 0.000 0.258 112 T C 1.022 175.759 174.700 0.061 0.000 1.013 112 T CA -0.233 61.899 62.100 0.054 0.000 1.078 112 T CB -0.073 68.807 68.868 0.021 0.000 1.111 112 T HN 0.108 nan 8.240 nan 0.000 0.538 113 F N 2.278 122.213 119.950 -0.025 0.000 2.216 113 F HA 0.024 4.552 4.527 0.001 0.000 0.300 113 F C 1.472 177.250 175.800 -0.037 0.000 1.085 113 F CA 1.401 59.379 58.000 -0.036 0.000 1.326 113 F CB 0.122 39.101 39.000 -0.035 0.000 1.027 113 F HN 0.336 nan 8.300 nan 0.000 0.497 114 D N 0.177 120.495 120.400 -0.137 0.000 2.259 114 D HA -0.039 4.602 4.640 0.001 0.000 0.216 114 D C 2.632 178.819 176.300 -0.189 0.000 0.961 114 D CA 1.276 55.153 54.000 -0.206 0.000 0.878 114 D CB -0.590 40.198 40.800 -0.020 0.000 1.009 114 D HN 0.355 nan 8.370 nan 0.000 0.490 115 L N 1.820 122.975 121.223 -0.113 0.000 2.079 115 L HA -0.132 4.208 4.340 0.001 0.000 0.210 115 L C 2.291 179.083 176.870 -0.130 0.000 1.081 115 L CA 1.879 56.664 54.840 -0.092 0.000 0.752 115 L CB -1.166 40.861 42.059 -0.053 0.000 0.896 115 L HN -0.048 nan 8.230 nan 0.000 0.433 116 E N -0.320 119.775 120.200 -0.174 0.000 2.216 116 E HA -0.046 4.305 4.350 0.001 0.000 0.192 116 E C 2.355 178.815 176.600 -0.232 0.000 0.988 116 E CA 1.219 57.514 56.400 -0.176 0.000 0.834 116 E CB 0.035 29.640 29.700 -0.158 0.000 0.772 116 E HN 0.610 nan 8.360 nan 0.000 0.479 117 V N 1.701 121.401 119.914 -0.356 0.000 2.626 117 V HA -0.226 3.894 4.120 0.001 0.000 0.252 117 V C 2.641 178.608 176.094 -0.211 0.000 1.067 117 V CA 2.168 64.249 62.300 -0.364 0.000 1.081 117 V CB -0.741 30.713 31.823 -0.615 0.000 0.686 117 V HN 0.308 nan 8.190 nan 0.000 0.468 118 K N 0.496 120.796 120.400 -0.168 0.000 2.007 118 K HA 0.009 4.329 4.320 0.001 0.000 0.206 118 K C 2.321 178.871 176.600 -0.082 0.000 1.047 118 K CA 1.652 57.877 56.287 -0.104 0.000 0.937 118 K CB -1.242 31.210 32.500 -0.080 0.000 0.718 118 K HN 0.525 nan 8.250 nan 0.000 0.438 119 A N 1.194 123.965 122.820 -0.082 0.000 1.865 119 A HA 0.175 4.496 4.320 0.001 0.000 0.217 119 A C 2.807 180.356 177.584 -0.058 0.000 1.191 119 A CA 2.615 54.618 52.037 -0.057 0.000 0.623 119 A CB -1.152 17.816 19.000 -0.053 0.000 0.826 119 A HN 1.115 nan 8.150 nan 0.000 0.444 120 A N -0.633 122.135 122.820 -0.087 0.000 1.929 120 A HA -0.231 4.090 4.320 0.001 0.000 0.221 120 A C 2.381 179.923 177.584 -0.070 0.000 1.211 120 A CA 3.859 55.841 52.037 -0.092 0.000 0.657 120 A CB -1.110 17.807 19.000 -0.138 0.000 0.827 120 A HN 0.886 nan 8.150 nan 0.000 0.462 121 K N -1.709 118.650 120.400 -0.069 0.000 2.137 121 K HA 0.194 4.514 4.320 0.001 0.000 0.202 121 K C 2.173 178.759 176.600 -0.023 0.000 1.052 121 K CA 1.953 58.212 56.287 -0.047 0.000 0.961 121 K CB -1.529 30.941 32.500 -0.050 0.000 0.741 121 K HN 0.859 nan 8.250 nan 0.000 0.452 122 E N 0.893 121.079 120.200 -0.022 0.000 2.049 122 E HA -0.055 4.296 4.350 0.001 0.000 0.198 122 E C 2.514 179.121 176.600 0.013 0.000 1.007 122 E CA 2.200 58.596 56.400 -0.007 0.000 0.809 122 E CB -1.220 28.474 29.700 -0.011 0.000 0.749 122 E HN 0.896 nan 8.360 nan 0.000 0.450 123 A N -0.381 122.451 122.820 0.021 0.000 1.940 123 A HA 0.112 4.433 4.320 0.001 0.000 0.219 123 A C 2.380 180.019 177.584 0.091 0.000 1.176 123 A CA 1.960 54.038 52.037 0.068 0.000 0.631 123 A CB -0.199 18.849 19.000 0.080 0.000 0.814 123 A HN 0.576 nan 8.150 nan 0.000 0.446 124 L N -2.805 118.438 121.223 0.033 0.000 2.806 124 L HA 0.287 4.628 4.340 0.001 0.000 0.242 124 L C 0.748 177.622 176.870 0.007 0.000 1.068 124 L CA -0.209 54.641 54.840 0.017 0.000 0.923 124 L CB -0.260 41.772 42.059 -0.046 0.000 1.364 124 L HN 0.164 nan 8.230 nan 0.000 0.511 125 E N 2.453 122.650 120.200 -0.005 0.000 2.465 125 E HA 0.178 4.528 4.350 0.001 0.000 0.260 125 E C 0.775 177.381 176.600 0.011 0.000 0.980 125 E CA 1.025 57.423 56.400 -0.004 0.000 0.927 125 E CB 0.142 29.834 29.700 -0.012 0.000 0.934 125 E HN 0.308 nan 8.360 nan 0.000 0.459 126 N N 1.607 120.316 118.700 0.016 0.000 2.629 126 N HA -0.151 4.590 4.740 0.001 0.000 0.278 126 N C -0.439 175.093 175.510 0.037 0.000 1.102 126 N CA 1.297 54.361 53.050 0.025 0.000 0.759 126 N CB -1.863 36.635 38.487 0.018 0.000 0.911 126 N HN 0.719 nan 8.380 nan 0.000 0.553 127 K N -0.858 119.573 120.400 0.052 0.000 2.318 127 K HA 0.980 5.301 4.320 0.001 0.000 0.265 127 K C -0.504 176.150 176.600 0.090 0.000 1.055 127 K CA 0.269 56.601 56.287 0.076 0.000 0.896 127 K CB 1.221 33.785 32.500 0.107 0.000 1.479 127 K HN 1.342 nan 8.250 nan 0.000 0.449 128 V N 0.866 120.851 119.914 0.118 0.000 2.524 128 V HA 0.649 4.770 4.120 0.001 0.000 0.297 128 V C -0.123 176.091 176.094 0.200 0.000 1.035 128 V CA -0.760 61.623 62.300 0.138 0.000 0.867 128 V CB 0.825 32.709 31.823 0.102 0.000 1.004 128 V HN 1.175 nan 8.190 nan 0.000 0.426 129 L N 3.380 124.745 121.223 0.238 0.000 2.369 129 L HA 0.919 5.260 4.340 0.001 0.000 0.279 129 L C 0.663 177.718 176.870 0.309 0.000 1.108 129 L CA 0.710 55.731 54.840 0.302 0.000 0.852 129 L CB -0.215 41.975 42.059 0.219 0.000 1.169 129 L HN 1.003 nan 8.230 nan 0.000 0.452 130 T N 2.113 116.819 114.554 0.254 0.000 2.809 130 T HA 0.683 5.033 4.350 0.001 0.000 0.296 130 T C -0.280 174.540 174.700 0.199 0.000 1.015 130 T CA -0.223 61.985 62.100 0.179 0.000 0.954 130 T CB 0.692 69.632 68.868 0.119 0.000 0.950 130 T HN 1.842 nan 8.240 nan 0.000 0.450 131 V N 1.227 121.278 119.914 0.228 0.000 2.488 131 V HA 0.899 5.020 4.120 0.001 0.000 0.293 131 V C 0.533 176.772 176.094 0.241 0.000 1.027 131 V CA -0.848 61.606 62.300 0.256 0.000 0.862 131 V CB 0.306 32.384 31.823 0.426 0.000 1.008 131 V HN 1.151 nan 8.190 nan 0.000 0.428 132 T N 1.850 116.452 114.554 0.081 0.000 2.849 132 T HA 0.824 5.174 4.350 0.001 0.000 0.284 132 T C 0.451 175.080 174.700 -0.118 0.000 1.004 132 T CA -0.016 62.110 62.100 0.044 0.000 1.021 132 T CB 1.145 70.015 68.868 0.002 0.000 1.013 132 T HN 1.473 nan 8.240 nan 0.000 0.527 133 G N 0.659 109.434 108.800 -0.041 0.000 2.704 133 G HA2 0.617 4.578 3.960 0.001 0.000 0.293 133 G HA3 0.617 4.578 3.960 0.001 0.000 0.293 133 G C -3.203 171.676 174.900 -0.034 0.000 1.421 133 G CA -1.230 43.768 45.100 -0.171 0.000 0.870 133 G HN 0.537 nan 8.290 nan 0.000 0.492 134 P HA 0.270 nan 4.420 nan 0.000 0.260 134 P C 0.543 177.850 177.300 0.012 0.000 1.147 134 P CA 2.084 65.157 63.100 -0.044 0.000 0.758 134 P CB 0.067 31.743 31.700 -0.040 0.000 0.744 135 E N 2.096 122.293 120.200 -0.004 0.000 2.340 135 E HA -0.098 4.253 4.350 0.001 0.000 0.240 135 E C 1.095 177.712 176.600 0.027 0.000 1.154 135 E CA 1.646 58.052 56.400 0.010 0.000 0.717 135 E CB -2.543 27.165 29.700 0.014 0.000 1.250 135 E HN 1.149 nan 8.360 nan 0.000 0.386 136 G N -1.248 107.567 108.800 0.025 0.000 2.179 136 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 136 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 136 G C 0.285 175.226 174.900 0.068 0.000 0.977 136 G CA 1.107 46.227 45.100 0.034 0.000 0.641 136 G HN 1.722 nan 8.290 nan 0.000 0.533 137 E N 0.396 120.670 120.200 0.123 0.000 2.029 137 E HA 0.534 4.885 4.350 0.001 0.000 0.276 137 E C 0.671 177.427 176.600 0.260 0.000 1.163 137 E CA 0.197 56.710 56.400 0.188 0.000 0.909 137 E CB 0.345 30.209 29.700 0.273 0.000 1.046 137 E HN 1.021 nan 8.360 nan 0.000 0.406 138 V N 5.998 125.995 119.914 0.137 0.000 2.322 138 V HA 0.252 4.373 4.120 0.001 0.000 0.258 138 V C 0.386 176.507 176.094 0.045 0.000 1.074 138 V CA -0.257 62.116 62.300 0.122 0.000 0.909 138 V CB 0.291 32.148 31.823 0.056 0.000 1.090 138 V HN 0.614 nan 8.190 nan 0.000 0.486 139 R N 4.199 124.746 120.500 0.078 0.000 2.438 139 R HA 0.646 4.986 4.340 0.001 0.000 0.287 139 R C 0.178 176.293 176.300 -0.309 0.000 1.077 139 R CA 0.495 56.450 56.100 -0.242 0.000 1.034 139 R CB 0.913 30.957 30.300 -0.427 0.000 0.993 139 R HN 0.910 nan 8.270 nan 0.000 0.459 140 Q N 3.548 123.039 119.800 -0.514 0.000 2.337 140 Q HA 0.355 4.696 4.340 0.001 0.000 0.264 140 Q C -1.197 174.544 176.000 -0.432 0.000 1.007 140 Q CA -0.650 54.955 55.803 -0.331 0.000 0.727 140 Q CB 0.782 29.441 28.738 -0.131 0.000 1.256 140 Q HN 0.555 nan 8.270 nan 0.000 0.467 141 F N 1.849 121.820 119.950 0.035 0.000 2.404 141 F HA 0.501 5.028 4.527 0.001 0.000 0.339 141 F C 0.828 176.640 175.800 0.019 0.000 1.105 141 F CA -1.152 56.857 58.000 0.016 0.000 1.087 141 F CB 1.732 40.739 39.000 0.010 0.000 1.143 141 F HN 0.542 nan 8.300 nan 0.000 0.491 142 N N 3.247 122.050 118.700 0.172 0.000 2.425 142 N HA 0.356 5.096 4.740 0.001 0.000 0.268 142 N C -1.042 174.528 175.510 0.101 0.000 0.991 142 N CA -0.371 52.746 53.050 0.112 0.000 0.931 142 N CB 1.023 39.548 38.487 0.064 0.000 1.130 142 N HN 0.517 nan 8.380 nan 0.000 0.493 143 I N 2.805 123.420 120.570 0.075 0.000 2.291 143 I HA 0.055 4.226 4.170 0.001 0.000 0.292 143 I C 1.843 177.976 176.117 0.027 0.000 1.064 143 I CA -0.094 61.227 61.300 0.036 0.000 1.269 143 I CB 1.077 39.078 38.000 0.003 0.000 1.418 143 I HN 0.561 nan 8.210 nan 0.000 0.485 144 T N 1.823 116.391 114.554 0.024 0.000 2.988 144 T HA 0.246 4.597 4.350 0.001 0.000 0.240 144 T C 1.186 175.891 174.700 0.009 0.000 1.014 144 T CA 0.179 62.289 62.100 0.018 0.000 1.155 144 T CB -0.042 68.838 68.868 0.020 0.000 0.872 144 T HN 0.480 nan 8.240 nan 0.000 0.440 145 R N 0.318 120.821 120.500 0.006 0.000 2.674 145 R HA 0.903 5.244 4.340 0.001 0.000 0.266 145 R C -0.954 175.339 176.300 -0.012 0.000 1.016 145 R CA -0.923 55.176 56.100 -0.001 0.000 1.062 145 R CB 0.069 30.371 30.300 0.003 0.000 1.142 145 R HN 0.636 nan 8.270 nan 0.000 0.517 146 L N 1.491 122.702 121.223 -0.019 0.000 2.562 146 L HA 0.673 5.013 4.340 0.001 0.000 0.266 146 L C -1.467 175.382 176.870 -0.035 0.000 0.949 146 L CA -0.607 54.211 54.840 -0.036 0.000 0.879 146 L CB 1.933 43.961 42.059 -0.052 0.000 1.278 146 L HN 0.663 nan 8.230 nan 0.000 0.404 150 P HA 0.080 nan 4.420 nan 0.000 0.269 150 P C -0.336 177.018 177.300 0.090 0.000 1.209 150 P CA 0.157 63.209 63.100 -0.081 0.000 0.776 150 P CB 0.425 31.942 31.700 -0.306 0.000 0.876 151 Q N 1.555 121.429 119.800 0.124 0.000 2.304 151 Q HA 0.361 4.701 4.340 0.001 0.000 0.301 151 Q C 1.484 177.517 176.000 0.054 0.000 1.063 151 Q CA 0.598 56.498 55.803 0.160 0.000 0.947 151 Q CB -1.070 27.729 28.738 0.102 0.000 1.201 151 Q HN 0.926 nan 8.270 nan 0.000 0.389 152 G N -0.304 108.517 108.800 0.035 0.000 2.399 152 G HA2 -0.304 3.657 3.960 0.001 0.000 0.216 152 G HA3 -0.304 3.657 3.960 0.001 0.000 0.216 152 G C 1.421 176.305 174.900 -0.027 0.000 1.096 152 G CA 0.784 45.866 45.100 -0.030 0.000 0.650 152 G HN 1.401 nan 8.290 nan 0.000 0.512 153 V N 2.212 122.121 119.914 -0.009 0.000 2.358 153 V HA 0.120 4.240 4.120 0.001 0.000 0.246 153 V C 3.137 179.248 176.094 0.028 0.000 1.047 153 V CA 2.961 65.254 62.300 -0.011 0.000 1.035 153 V CB -1.233 30.568 31.823 -0.038 0.000 0.658 153 V HN 0.865 nan 8.190 nan 0.000 0.452 154 G N 0.353 109.206 108.800 0.089 0.000 2.586 154 G HA2 -0.328 3.633 3.960 0.001 0.000 0.218 154 G HA3 -0.328 3.633 3.960 0.001 0.000 0.218 154 G C 1.747 176.589 174.900 -0.096 0.000 1.216 154 G CA 1.378 46.459 45.100 -0.031 0.000 0.786 154 G HN 0.633 nan 8.290 nan 0.000 0.583 155 A N 0.729 123.478 122.820 -0.119 0.000 2.019 155 A HA 0.322 4.643 4.320 0.001 0.000 0.219 155 A C 2.762 180.360 177.584 0.023 0.000 1.164 155 A CA 2.164 54.167 52.037 -0.057 0.000 0.644 155 A CB -0.591 18.368 19.000 -0.069 0.000 0.805 155 A HN 0.866 nan 8.150 nan 0.000 0.449 156 A N 0.094 122.917 122.820 0.004 0.000 1.855 156 A HA -0.009 4.312 4.320 0.001 0.000 0.215 156 A C 2.141 179.739 177.584 0.023 0.000 1.191 156 A CA 1.362 53.404 52.037 0.009 0.000 0.613 156 A CB -0.622 18.370 19.000 -0.013 0.000 0.829 156 A HN 0.452 nan 8.150 nan 0.000 0.442 157 L N -1.936 119.304 121.223 0.029 0.000 1.956 157 L HA -0.266 4.075 4.340 0.001 0.000 0.216 157 L C 2.647 179.542 176.870 0.041 0.000 1.073 157 L CA 2.432 57.290 54.840 0.031 0.000 0.762 157 L CB -1.060 41.026 42.059 0.046 0.000 0.889 157 L HN 0.616 nan 8.230 nan 0.000 0.433 158 Y N 0.806 121.083 120.300 -0.039 0.000 2.139 158 Y HA -0.297 4.253 4.550 0.001 0.000 0.282 158 Y C 2.407 178.291 175.900 -0.027 0.000 1.179 158 Y CA 1.721 59.800 58.100 -0.036 0.000 1.161 158 Y CB -0.257 38.172 38.460 -0.052 0.000 0.970 158 Y HN 0.040 nan 8.280 nan 0.000 0.511 159 L N -1.047 120.198 121.223 0.037 0.000 2.056 159 L HA -0.183 4.157 4.340 0.001 0.000 0.207 159 L C 2.363 179.175 176.870 -0.097 0.000 1.078 159 L CA 0.921 55.732 54.840 -0.048 0.000 0.749 159 L CB -0.834 41.251 42.059 0.044 0.000 0.901 159 L HN 0.318 nan 8.230 nan 0.000 0.433 160 L N 0.498 121.687 121.223 -0.058 0.000 1.910 160 L HA -0.269 4.072 4.340 0.001 0.000 0.221 160 L C 2.037 178.853 176.870 -0.090 0.000 1.084 160 L CA 2.151 56.957 54.840 -0.057 0.000 0.779 160 L CB -0.932 41.108 42.059 -0.031 0.000 0.888 160 L HN 0.250 nan 8.230 nan 0.000 0.432 161 N N -0.934 117.711 118.700 -0.092 0.000 2.217 161 N HA -0.333 4.408 4.740 0.001 0.000 0.195 161 N C 1.382 176.791 175.510 -0.167 0.000 0.950 161 N CA 2.057 55.038 53.050 -0.115 0.000 0.910 161 N CB -0.317 38.100 38.487 -0.118 0.000 1.073 161 N HN 0.540 nan 8.380 nan 0.000 0.663 162 Q N -0.041 119.589 119.800 -0.282 0.000 2.491 162 Q HA 0.022 4.363 4.340 0.001 0.000 0.214 162 Q C 1.242 177.143 176.000 -0.165 0.000 0.970 162 Q CA 0.736 56.368 55.803 -0.286 0.000 0.960 162 Q CB 0.415 28.853 28.738 -0.500 0.000 0.996 162 Q HN 0.663 nan 8.270 nan 0.000 0.524 163 G N 0.989 109.719 108.800 -0.116 0.000 2.234 163 G HA2 -0.298 3.663 3.960 0.001 0.000 0.260 163 G HA3 -0.298 3.663 3.960 0.001 0.000 0.260 163 G C 0.917 175.784 174.900 -0.054 0.000 0.987 163 G CA 0.451 45.508 45.100 -0.072 0.000 0.625 163 G HN 0.455 nan 8.290 nan 0.000 0.532 164 I N 1.121 121.655 120.570 -0.061 0.000 2.830 164 I HA 0.188 4.359 4.170 0.001 0.000 0.263 164 I C 1.461 177.568 176.117 -0.016 0.000 1.230 164 I CA 1.274 62.555 61.300 -0.032 0.000 1.480 164 I CB -0.448 37.537 38.000 -0.025 0.000 1.095 164 I HN 0.543 nan 8.210 nan 0.000 0.455 165 I N -2.138 118.419 120.570 -0.021 0.000 2.802 165 I HA 0.792 4.962 4.170 0.001 0.000 0.298 165 I C -0.614 175.495 176.117 -0.014 0.000 1.176 165 I CA -0.716 60.578 61.300 -0.010 0.000 1.025 165 I CB 1.950 39.948 38.000 -0.003 0.000 1.243 165 I HN -0.149 nan 8.210 nan 0.000 0.424 166 E N 4.260 124.455 120.200 -0.008 0.000 2.312 166 E HA 0.484 4.835 4.350 0.001 0.000 0.267 166 E C -1.182 175.417 176.600 -0.001 0.000 0.894 166 E CA -0.949 55.446 56.400 -0.008 0.000 0.773 166 E CB 1.546 31.240 29.700 -0.010 0.000 1.241 166 E HN 0.738 nan 8.360 nan 0.000 0.432 167 Q N 0.639 120.438 119.800 -0.002 0.000 2.392 167 Q HA 0.429 4.770 4.340 0.001 0.000 0.262 167 Q C -0.196 175.809 176.000 0.007 0.000 1.003 167 Q CA 0.308 56.113 55.803 0.004 0.000 0.888 167 Q CB 0.429 29.168 28.738 0.001 0.000 1.260 167 Q HN 0.720 nan 8.270 nan 0.000 0.435 168 Q N -0.512 119.297 119.800 0.015 0.000 3.041 168 Q HA 0.414 4.754 4.340 0.001 0.000 0.331 168 Q C -2.938 173.075 176.000 0.022 0.000 0.822 168 Q CA -1.481 54.331 55.803 0.014 0.000 0.881 168 Q CB -0.272 28.471 28.738 0.009 0.000 1.442 168 Q HN 0.308 nan 8.270 nan 0.000 0.483 169 P HA 0.460 nan 4.420 nan 0.000 0.272 169 P C 0.059 177.366 177.300 0.011 0.000 1.240 169 P CA 1.227 64.332 63.100 0.009 0.000 0.791 169 P CB 0.244 31.939 31.700 -0.008 0.000 0.978 170 G N -0.888 107.904 108.800 -0.015 0.000 2.660 170 G HA2 -0.113 3.848 3.960 0.001 0.000 0.215 170 G HA3 -0.113 3.848 3.960 0.001 0.000 0.215 170 G C -1.587 173.387 174.900 0.125 0.000 1.345 170 G CA -0.786 44.283 45.100 -0.051 0.000 0.877 170 G HN 0.343 nan 8.290 nan 0.000 0.549 171 Y N 0.217 120.514 120.300 -0.004 0.000 2.468 171 Y HA 0.693 5.244 4.550 0.001 0.000 0.342 171 Y C 1.070 176.963 175.900 -0.011 0.000 1.021 171 Y CA -0.910 57.186 58.100 -0.008 0.000 1.079 171 Y CB 1.771 40.227 38.460 -0.005 0.000 1.226 171 Y HN 1.067 nan 8.280 nan 0.000 0.460 172 G N 0.516 109.399 108.800 0.137 0.000 2.400 172 G HA2 0.551 4.512 3.960 0.001 0.000 0.333 172 G HA3 0.551 4.512 3.960 0.001 0.000 0.333 172 G C -1.666 173.236 174.900 0.002 0.000 1.143 172 G CA -0.646 44.484 45.100 0.051 0.000 0.914 172 G HN 0.385 nan 8.290 nan 0.000 0.480 173 V N 2.336 122.244 119.914 -0.010 0.000 2.385 173 V HA 0.192 4.313 4.120 0.001 0.000 0.277 173 V C -0.157 175.892 176.094 -0.075 0.000 1.012 173 V CA -0.585 61.683 62.300 -0.053 0.000 0.832 173 V CB 1.407 33.212 31.823 -0.031 0.000 1.028 173 V HN 0.553 nan 8.190 nan 0.000 0.436 174 V N 6.614 126.468 119.914 -0.099 0.000 2.389 174 V HA 0.366 4.486 4.120 0.001 0.000 0.264 174 V C 0.265 176.269 176.094 -0.150 0.000 1.049 174 V CA 0.002 62.245 62.300 -0.096 0.000 0.932 174 V CB 1.050 32.824 31.823 -0.082 0.000 1.011 174 V HN 0.648 nan 8.190 nan 0.000 0.475 175 I N 3.966 124.444 120.570 -0.154 0.000 2.377 175 I HA 0.233 4.403 4.170 0.001 0.000 0.282 175 I C 0.025 176.078 176.117 -0.106 0.000 1.091 175 I CA -0.320 60.841 61.300 -0.231 0.000 1.207 175 I CB 0.901 38.621 38.000 -0.466 0.000 1.429 175 I HN 0.507 nan 8.210 nan 0.000 0.491 176 D N 6.148 126.498 120.400 -0.083 0.000 2.470 176 D HA 0.096 4.736 4.640 0.001 0.000 0.226 176 D C -0.060 176.248 176.300 0.014 0.000 1.196 176 D CA -0.116 53.869 54.000 -0.024 0.000 0.979 176 D CB 0.596 41.373 40.800 -0.037 0.000 1.059 176 D HN 0.104 nan 8.370 nan 0.000 0.515 177 V N 3.784 123.745 119.914 0.079 0.000 2.425 177 V HA 0.443 4.563 4.120 0.001 0.000 0.276 177 V C 1.396 177.529 176.094 0.065 0.000 1.017 177 V CA 0.203 62.570 62.300 0.110 0.000 1.062 177 V CB 0.628 32.564 31.823 0.188 0.000 0.997 177 V HN 0.547 nan 8.190 nan 0.000 0.476 178 G N 3.429 112.264 108.800 0.058 0.000 2.990 178 G HA2 0.465 4.426 3.960 0.001 0.000 0.208 178 G HA3 0.465 4.426 3.960 0.001 0.000 0.208 178 G C 0.977 175.907 174.900 0.049 0.000 1.334 178 G CA 0.304 45.435 45.100 0.051 0.000 1.024 178 G HN 0.671 nan 8.290 nan 0.000 0.574 179 S N -0.844 114.892 115.700 0.060 0.000 2.341 179 S HA -0.023 4.448 4.470 0.001 0.000 0.216 179 S C 2.064 176.668 174.600 0.006 0.000 1.034 179 S CA 1.117 59.339 58.200 0.036 0.000 0.964 179 S CB -0.187 63.041 63.200 0.046 0.000 0.882 179 S HN 0.438 nan 8.310 nan 0.000 0.469 180 R N 1.686 122.177 120.500 -0.016 0.000 2.206 180 R HA 0.296 4.637 4.340 0.001 0.000 0.198 180 R C 0.776 177.046 176.300 -0.049 0.000 0.986 180 R CA 1.183 57.211 56.100 -0.119 0.000 1.029 180 R CB 0.013 30.059 30.300 -0.423 0.000 0.966 180 R HN 0.647 nan 8.270 nan 0.000 0.487 181 T N -1.493 113.084 114.554 0.038 0.000 2.916 181 T HA 0.495 4.846 4.350 0.001 0.000 0.292 181 T C -0.751 173.989 174.700 0.066 0.000 1.064 181 T CA -0.556 61.584 62.100 0.067 0.000 1.011 181 T CB 1.925 70.873 68.868 0.134 0.000 1.152 181 T HN -0.106 nan 8.240 nan 0.000 0.510 182 T N 2.202 116.790 114.554 0.057 0.000 2.840 182 T HA 0.533 4.884 4.350 0.001 0.000 0.287 182 T C -1.622 173.073 174.700 -0.007 0.000 0.991 182 T CA -0.397 61.724 62.100 0.036 0.000 0.964 182 T CB 1.004 69.904 68.868 0.054 0.000 0.954 182 T HN 0.658 nan 8.240 nan 0.000 0.438 183 D N 3.387 123.755 120.400 -0.054 0.000 2.481 183 D HA 0.414 5.055 4.640 0.001 0.000 0.246 183 D C -0.867 175.303 176.300 -0.216 0.000 1.109 183 D CA -0.431 53.506 54.000 -0.105 0.000 0.845 183 D CB 1.595 42.365 40.800 -0.051 0.000 1.160 183 D HN 0.222 nan 8.370 nan 0.000 0.534 184 V N 4.653 124.321 119.914 -0.410 0.000 2.370 184 V HA 0.383 4.503 4.120 0.001 0.000 0.283 184 V C -0.092 175.691 176.094 -0.517 0.000 1.023 184 V CA -0.840 61.126 62.300 -0.557 0.000 0.857 184 V CB 1.325 32.604 31.823 -0.908 0.000 0.985 184 V HN 0.455 nan 8.190 nan 0.000 0.443 185 L N 5.292 126.324 121.223 -0.319 0.000 2.294 185 L HA 0.600 4.941 4.340 0.001 0.000 0.283 185 L C 0.290 177.034 176.870 -0.210 0.000 1.015 185 L CA 0.445 55.142 54.840 -0.240 0.000 0.831 185 L CB 1.740 43.701 42.059 -0.164 0.000 1.217 185 L HN 0.704 nan 8.230 nan 0.000 0.420 186 T N 6.270 120.699 114.554 -0.209 0.000 2.771 186 T HA 0.544 4.894 4.350 0.001 0.000 0.291 186 T C -0.323 174.206 174.700 -0.284 0.000 0.954 186 T CA 0.037 62.018 62.100 -0.198 0.000 1.045 186 T CB 0.713 69.486 68.868 -0.159 0.000 0.917 186 T HN 0.512 nan 8.240 nan 0.000 0.484 187 I N 3.126 123.525 120.570 -0.286 0.000 2.686 187 I HA 0.396 4.567 4.170 0.001 0.000 0.295 187 I C -1.008 174.949 176.117 -0.266 0.000 1.114 187 I CA -1.012 60.132 61.300 -0.261 0.000 1.038 187 I CB 2.142 40.061 38.000 -0.135 0.000 1.238 187 I HN 0.436 nan 8.210 nan 0.000 0.420 188 N N 7.083 125.645 118.700 -0.230 0.000 2.414 188 N HA 0.395 5.135 4.740 0.001 0.000 0.256 188 N C -0.857 174.696 175.510 0.071 0.000 1.029 188 N CA -0.148 52.926 53.050 0.040 0.000 0.948 188 N CB 0.631 39.158 38.487 0.065 0.000 1.102 188 N HN 0.466 nan 8.380 nan 0.000 0.496 194 P HA 0.090 nan 4.420 nan 0.000 0.269 194 P C -0.044 177.149 177.300 -0.180 0.000 1.209 194 P CA -0.333 62.665 63.100 -0.169 0.000 0.776 194 P CB 0.705 32.307 31.700 -0.162 0.000 0.876 195 V N 4.460 124.229 119.914 -0.241 0.000 2.270 195 V HA -0.013 4.108 4.120 0.001 0.000 0.263 195 V C 1.822 177.840 176.094 -0.127 0.000 1.066 195 V CA -0.068 62.092 62.300 -0.234 0.000 0.857 195 V CB 0.633 32.169 31.823 -0.479 0.000 1.099 195 V HN 0.352 nan 8.190 nan 0.000 0.476 196 V N 4.231 124.100 119.914 -0.076 0.000 2.287 196 V HA -0.230 3.891 4.120 0.001 0.000 0.248 196 V C 2.210 178.309 176.094 0.008 0.000 1.053 196 V CA 2.243 64.523 62.300 -0.033 0.000 1.027 196 V CB -0.440 31.372 31.823 -0.019 0.000 0.646 196 V HN 0.907 nan 8.190 nan 0.000 0.447 197 E N 0.526 120.734 120.200 0.015 0.000 2.268 197 E HA -0.098 4.253 4.350 0.001 0.000 0.195 197 E C 1.592 178.242 176.600 0.082 0.000 0.995 197 E CA 0.801 57.227 56.400 0.044 0.000 0.836 197 E CB -0.324 29.399 29.700 0.039 0.000 0.763 197 E HN 0.535 nan 8.360 nan 0.000 0.491 198 L N 0.341 121.608 121.223 0.073 0.000 2.685 198 L HA 0.243 4.584 4.340 0.001 0.000 0.233 198 L C -0.040 176.955 176.870 0.207 0.000 1.173 198 L CA -0.240 54.691 54.840 0.152 0.000 0.961 198 L CB 0.279 42.395 42.059 0.094 0.000 1.217 198 L HN -0.095 nan 8.230 nan 0.000 0.478 199 S N 0.518 116.313 115.700 0.159 0.000 2.501 199 S HA 0.819 5.290 4.470 0.001 0.000 0.301 199 S C -0.591 174.111 174.600 0.170 0.000 1.096 199 S CA -0.439 57.757 58.200 -0.008 0.000 1.063 199 S CB 1.633 64.792 63.200 -0.069 0.000 1.042 199 S HN 0.234 nan 8.310 nan 0.000 0.494 200 F N -1.163 118.771 119.950 -0.026 0.000 2.858 200 F HA 0.746 5.274 4.527 0.001 0.000 0.319 200 F C -0.816 174.978 175.800 -0.009 0.000 1.166 200 F CA -1.018 56.974 58.000 -0.013 0.000 0.899 200 F CB 1.041 40.033 39.000 -0.012 0.000 1.332 200 F HN 0.402 nan 8.300 nan 0.000 0.461 201 S N 1.068 116.906 115.700 0.229 0.000 2.532 201 S HA 0.780 5.251 4.470 0.001 0.000 0.299 201 S C -1.125 173.599 174.600 0.206 0.000 1.105 201 S CA -0.681 57.599 58.200 0.134 0.000 1.018 201 S CB 0.858 64.117 63.200 0.098 0.000 1.021 201 S HN 0.694 nan 8.310 nan 0.000 0.483 202 L N 3.858 125.182 121.223 0.169 0.000 2.357 202 L HA 0.460 4.801 4.340 0.001 0.000 0.273 202 L C 0.168 177.089 176.870 0.085 0.000 1.080 202 L CA -0.617 54.303 54.840 0.133 0.000 0.803 202 L CB 0.959 43.094 42.059 0.126 0.000 1.174 202 L HN 0.660 nan 8.230 nan 0.000 0.443 203 Q N 3.937 123.773 119.800 0.060 0.000 3.207 203 Q HA 0.429 4.769 4.340 0.001 0.000 0.335 203 Q C -0.601 175.410 176.000 0.019 0.000 1.374 203 Q CA 0.182 56.003 55.803 0.031 0.000 1.023 203 Q CB 0.179 28.926 28.738 0.016 0.000 1.576 203 Q HN 0.493 nan 8.270 nan 0.000 0.515 204 I N -1.403 119.187 120.570 0.033 0.000 2.563 204 I HA 0.686 4.857 4.170 0.001 0.000 0.285 204 I C -0.765 175.376 176.117 0.040 0.000 1.123 204 I CA -0.485 60.834 61.300 0.031 0.000 1.059 204 I CB 0.932 38.959 38.000 0.045 0.000 1.229 204 I HN 0.302 nan 8.210 nan 0.000 0.442 205 G N 4.463 113.277 108.800 0.023 0.000 3.212 205 G HA2 0.421 4.382 3.960 0.001 0.000 0.188 205 G HA3 0.421 4.382 3.960 0.001 0.000 0.188 205 G C 0.150 175.066 174.900 0.027 0.000 1.254 205 G CA -0.164 44.954 45.100 0.030 0.000 0.957 205 G HN 0.346 nan 8.290 nan 0.000 0.596 206 V N 0.980 120.907 119.914 0.022 0.000 2.535 206 V HA 0.083 4.203 4.120 0.001 0.000 0.246 206 V C 3.059 179.156 176.094 0.005 0.000 1.045 206 V CA 1.973 64.283 62.300 0.016 0.000 1.058 206 V CB -0.549 31.284 31.823 0.016 0.000 0.689 206 V HN 0.837 nan 8.190 nan 0.000 0.461 207 G N 0.692 109.491 108.800 -0.002 0.000 2.679 207 G HA2 -0.425 3.536 3.960 0.001 0.000 0.222 207 G HA3 -0.425 3.536 3.960 0.001 0.000 0.222 207 G C 1.060 175.954 174.900 -0.008 0.000 1.164 207 G CA 1.849 46.942 45.100 -0.011 0.000 0.769 207 G HN 0.538 nan 8.290 nan 0.000 0.610 208 D N 0.846 121.242 120.400 -0.007 0.000 2.154 208 D HA -0.109 4.532 4.640 0.001 0.000 0.190 208 D C 2.769 179.069 176.300 -0.001 0.000 1.003 208 D CA 1.993 55.990 54.000 -0.003 0.000 0.849 208 D CB -0.482 40.320 40.800 0.003 0.000 0.942 208 D HN 0.411 nan 8.370 nan 0.000 0.446 209 A N -0.303 122.518 122.820 0.002 0.000 2.019 209 A HA -0.100 4.221 4.320 0.001 0.000 0.219 209 A C 2.111 179.695 177.584 -0.001 0.000 1.164 209 A CA 0.901 52.939 52.037 0.001 0.000 0.644 209 A CB -0.560 18.441 19.000 0.001 0.000 0.805 209 A HN 0.194 nan 8.150 nan 0.000 0.449 210 I N -1.061 119.508 120.570 -0.001 0.000 2.330 210 I HA -0.159 4.012 4.170 0.001 0.000 0.229 210 I C 2.588 178.703 176.117 -0.003 0.000 1.063 210 I CA 1.159 62.458 61.300 -0.002 0.000 1.367 210 I CB -0.762 37.238 38.000 -0.001 0.000 1.158 210 I HN 0.172 nan 8.210 nan 0.000 0.411 211 S N 0.859 116.556 115.700 -0.005 0.000 2.432 211 S HA -0.329 4.142 4.470 0.001 0.000 0.243 211 S C 2.044 176.642 174.600 -0.005 0.000 1.069 211 S CA 1.594 59.790 58.200 -0.006 0.000 1.047 211 S CB -0.627 62.566 63.200 -0.010 0.000 0.854 211 S HN 0.576 nan 8.310 nan 0.000 0.474 212 A N 0.836 123.654 122.820 -0.004 0.000 1.858 212 A HA -0.036 4.285 4.320 0.001 0.000 0.216 212 A C 2.089 179.672 177.584 -0.002 0.000 1.190 212 A CA 1.405 53.440 52.037 -0.002 0.000 0.617 212 A CB -0.737 18.262 19.000 -0.001 0.000 0.827 212 A HN 0.396 nan 8.150 nan 0.000 0.443 213 L N -0.134 121.088 121.223 -0.002 0.000 1.955 213 L HA -0.165 4.176 4.340 0.001 0.000 0.213 213 L C 2.835 179.704 176.870 -0.002 0.000 1.072 213 L CA 2.537 57.376 54.840 -0.002 0.000 0.755 213 L CB -0.900 41.158 42.059 -0.002 0.000 0.888 213 L HN 0.432 nan 8.230 nan 0.000 0.432 214 S N -0.949 114.749 115.700 -0.002 0.000 2.368 214 S HA -0.336 4.135 4.470 0.001 0.000 0.226 214 S C 2.427 177.025 174.600 -0.002 0.000 1.044 214 S CA 2.326 60.525 58.200 -0.002 0.000 1.062 214 S CB -0.382 62.817 63.200 -0.002 0.000 0.931 214 S HN 0.513 nan 8.310 nan 0.000 0.440 215 R N 1.322 121.820 120.500 -0.003 0.000 2.113 215 R HA -0.091 4.250 4.340 0.001 0.000 0.244 215 R C 2.363 178.662 176.300 -0.002 0.000 1.142 215 R CA 2.241 58.339 56.100 -0.003 0.000 0.953 215 R CB -1.638 28.660 30.300 -0.004 0.000 0.860 215 R HN 0.669 nan 8.270 nan 0.000 0.438 216 K N -0.224 120.175 120.400 -0.002 0.000 2.057 216 K HA -0.094 4.227 4.320 0.001 0.000 0.207 216 K C 2.501 179.100 176.600 -0.002 0.000 1.049 216 K CA 1.881 58.167 56.287 -0.002 0.000 0.931 216 K CB -0.844 31.655 32.500 -0.002 0.000 0.714 216 K HN 0.420 nan 8.250 nan 0.000 0.440 217 I N 0.891 121.460 120.570 -0.002 0.000 2.091 217 I HA -0.283 3.888 4.170 0.001 0.000 0.239 217 I C 2.587 178.704 176.117 -0.001 0.000 1.061 217 I CA 2.571 63.871 61.300 -0.001 0.000 1.317 217 I CB -1.958 36.041 38.000 -0.001 0.000 1.031 217 I HN 0.384 nan 8.210 nan 0.000 0.401 218 A N 0.440 123.259 122.820 -0.001 0.000 1.892 218 A HA -0.114 4.206 4.320 0.001 0.000 0.218 218 A C 2.337 179.920 177.584 -0.001 0.000 1.188 218 A CA 2.919 54.955 52.037 -0.001 0.000 0.631 218 A CB -1.220 17.779 19.000 -0.002 0.000 0.822 218 A HN 1.441 nan 8.150 nan 0.000 0.447 219 K N -0.728 119.671 120.400 -0.001 0.000 3.077 219 K HA 0.426 4.746 4.320 0.001 0.000 0.269 219 K C 0.750 177.350 176.600 -0.001 0.000 0.973 219 K CA 1.709 57.995 56.287 -0.001 0.000 1.162 219 K CB -1.507 30.992 32.500 -0.001 0.000 1.079 219 K HN 1.029 nan 8.250 nan 0.000 0.456 220 E N -2.330 117.869 120.200 -0.001 0.000 2.314 220 E HA 0.215 4.565 4.350 0.001 0.000 0.216 220 E C 1.987 178.586 176.600 -0.001 0.000 1.048 220 E CA 1.211 57.611 56.400 -0.001 0.000 1.575 220 E CB -0.789 28.910 29.700 -0.001 0.000 3.354 220 E HN 0.637 nan 8.360 nan 0.000 1.075 221 T N -1.641 112.913 114.554 -0.001 0.000 3.401 221 T HA 0.592 4.942 4.350 0.001 0.000 0.225 221 T C 1.824 176.523 174.700 -0.001 0.000 0.961 221 T CA 2.657 64.757 62.100 -0.000 0.000 1.429 221 T CB 0.128 68.996 68.868 -0.000 0.000 1.213 221 T HN 1.398 nan 8.240 nan 0.000 0.440 222 G N -1.214 107.585 108.800 -0.001 0.000 4.432 222 G HA2 0.431 4.392 3.960 0.001 0.000 0.158 222 G HA3 0.431 4.392 3.960 0.001 0.000 0.158 222 G C 0.505 175.405 174.900 -0.001 0.000 1.637 222 G CA 0.408 45.507 45.100 -0.001 0.000 0.900 222 G HN 0.997 nan 8.290 nan 0.000 0.292 223 F N 1.372 121.322 119.950 -0.001 0.000 2.368 223 F HA 0.882 5.410 4.527 0.001 0.000 0.308 223 F C 0.956 176.756 175.800 -0.001 0.000 1.198 223 F CA -0.513 57.487 58.000 -0.001 0.000 1.130 223 F CB -0.129 38.871 39.000 -0.000 0.000 1.300 223 F HN 1.015 nan 8.300 nan 0.000 0.537 224 V N -0.474 119.439 119.914 -0.001 0.000 2.743 224 V HA 0.727 4.847 4.120 0.001 0.000 0.301 224 V C 0.158 176.252 176.094 -0.001 0.000 1.057 224 V CA -0.380 61.919 62.300 -0.001 0.000 1.006 224 V CB 0.891 32.713 31.823 -0.001 0.000 1.024 224 V HN 2.110 nan 8.190 nan 0.000 0.473 225 V N 3.819 123.732 119.914 -0.001 0.000 2.266 225 V HA 0.625 4.746 4.120 0.001 0.000 0.266 225 V C -1.639 174.455 176.094 -0.000 0.000 1.036 225 V CA -2.035 60.265 62.300 -0.000 0.000 0.828 225 V CB 0.188 32.011 31.823 -0.001 0.000 1.081 225 V HN 0.811 nan 8.190 nan 0.000 0.449 226 P HA -0.166 nan 4.420 nan 0.000 0.274 226 P C 1.458 178.759 177.300 0.001 0.000 1.177 226 P CA 1.678 64.779 63.100 0.001 0.000 0.766 226 P CB 0.201 31.901 31.700 0.001 0.000 0.771 227 F N 1.206 121.158 119.950 0.003 0.000 2.063 227 F HA -0.314 4.214 4.527 0.001 0.000 0.298 227 F C 1.974 177.778 175.800 0.005 0.000 1.105 227 F CA 2.711 60.714 58.000 0.005 0.000 1.215 227 F CB -1.753 37.253 39.000 0.010 0.000 0.972 227 F HN 0.405 nan 8.300 nan 0.000 0.483 228 D N 0.157 120.560 120.400 0.004 0.000 2.213 228 D HA 0.193 4.833 4.640 0.001 0.000 0.205 228 D C 2.428 178.728 176.300 -0.000 0.000 0.961 228 D CA 1.470 55.472 54.000 0.003 0.000 0.853 228 D CB -1.015 39.784 40.800 -0.003 0.000 0.967 228 D HN 0.510 nan 8.370 nan 0.000 0.496 229 L N 1.287 122.509 121.223 -0.002 0.000 1.990 229 L HA 0.030 4.371 4.340 0.001 0.000 0.213 229 L C 2.624 179.493 176.870 -0.000 0.000 1.072 229 L CA 2.591 57.430 54.840 -0.002 0.000 0.755 229 L CB -1.840 40.218 42.059 -0.002 0.000 0.889 229 L HN 0.272 nan 8.230 nan 0.000 0.432 230 A N -1.639 121.182 122.820 0.000 0.000 1.933 230 A HA -0.248 4.073 4.320 0.001 0.000 0.218 230 A C 2.342 179.926 177.584 0.001 0.000 1.175 230 A CA 1.819 53.856 52.037 0.000 0.000 0.628 230 A CB -0.601 18.399 19.000 0.000 0.000 0.814 230 A HN 0.847 nan 8.150 nan 0.000 0.444 231 Q N -0.672 119.129 119.800 0.003 0.000 2.002 231 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 231 Q C 2.185 178.188 176.000 0.004 0.000 0.988 231 Q CA 2.956 58.762 55.803 0.005 0.000 0.843 231 Q CB -0.452 28.291 28.738 0.008 0.000 0.908 231 Q HN 0.663 nan 8.270 nan 0.000 0.420 232 E N 0.465 120.668 120.200 0.004 0.000 2.058 232 E HA -0.182 4.169 4.350 0.001 0.000 0.194 232 E C 1.957 178.558 176.600 0.002 0.000 0.997 232 E CA 1.620 58.022 56.400 0.004 0.000 0.801 232 E CB -1.362 28.340 29.700 0.003 0.000 0.746 232 E HN 0.692 nan 8.360 nan 0.000 0.450 233 A N 0.166 122.986 122.820 0.001 0.000 2.054 233 A HA -0.076 4.245 4.320 0.001 0.000 0.223 233 A C 2.383 179.966 177.584 -0.001 0.000 1.169 233 A CA 1.584 53.621 52.037 -0.000 0.000 0.655 233 A CB -0.598 18.402 19.000 -0.000 0.000 0.812 233 A HN 0.511 nan 8.150 nan 0.000 0.462 234 L N -1.733 119.490 121.223 -0.001 0.000 2.642 234 L HA -0.052 4.288 4.340 0.001 0.000 0.236 234 L C 1.774 178.642 176.870 -0.003 0.000 1.169 234 L CA 1.207 56.045 54.840 -0.002 0.000 0.851 234 L CB -0.046 42.011 42.059 -0.002 0.000 0.968 234 L HN 0.564 nan 8.230 nan 0.000 0.453 235 S N -2.265 113.434 115.700 -0.001 0.000 2.795 235 S HA 0.454 4.925 4.470 0.001 0.000 0.230 235 S C 0.104 174.704 174.600 0.000 0.000 0.749 235 S CA 0.146 58.345 58.200 -0.001 0.000 1.066 235 S CB -0.432 62.768 63.200 -0.001 0.000 1.466 235 S HN 0.353 nan 8.310 nan 0.000 0.502 236 H N 0.422 119.492 119.070 0.000 0.000 3.273 236 H HA 0.631 5.188 4.556 0.001 0.000 0.312 236 H C -3.641 171.687 175.328 0.001 0.000 1.301 236 H CA -0.941 55.107 56.048 0.001 0.000 1.578 236 H CB -0.115 29.648 29.762 0.002 0.000 2.161 236 H HN 0.064 nan 8.280 nan 0.000 0.399 237 P HA 0.184 nan 4.420 nan 0.000 0.257 237 P C 1.112 178.413 177.300 0.000 0.000 1.359 237 P CA 0.454 63.554 63.100 0.000 0.000 1.239 237 P CB -0.308 31.393 31.700 0.000 0.000 1.549 241 R N 2.532 123.034 120.500 0.002 0.000 3.157 241 R HA 0.448 4.789 4.340 0.001 0.000 0.259 241 R C 1.131 177.432 176.300 0.002 0.000 1.018 241 R CA 2.716 58.817 56.100 0.002 0.000 0.678 241 R CB -3.012 27.289 30.300 0.002 0.000 1.225 241 R HN 3.487 nan 8.270 nan 0.000 0.408 242 Q N -4.677 115.124 119.800 0.002 0.000 2.306 242 Q HA 0.054 4.395 4.340 0.001 0.000 0.149 242 Q C 1.334 177.335 176.000 0.002 0.000 0.719 242 Q CA 3.447 59.252 55.803 0.002 0.000 1.328 242 Q CB -2.786 25.954 28.738 0.002 0.000 1.281 242 Q HN 2.829 nan 8.270 nan 0.000 0.978 243 K N 1.011 121.412 120.400 0.001 0.000 2.307 243 K HA 0.693 5.014 4.320 0.001 0.000 0.263 243 K C -0.102 176.499 176.600 0.001 0.000 0.973 243 K CA 0.120 56.407 56.287 0.001 0.000 0.846 243 K CB 1.498 33.998 32.500 0.001 0.000 1.100 243 K HN 0.919 nan 8.250 nan 0.000 0.438 244 Q N 1.017 120.817 119.800 0.001 0.000 2.337 244 Q HA 0.456 4.797 4.340 0.001 0.000 0.270 244 Q C -0.525 175.475 176.000 0.000 0.000 1.002 244 Q CA 0.304 56.108 55.803 0.001 0.000 0.888 244 Q CB 0.856 29.595 28.738 0.001 0.000 1.222 244 Q HN 0.784 nan 8.270 nan 0.000 0.400 245 V N 3.858 123.772 119.914 0.000 0.000 2.320 245 V HA 0.440 4.561 4.120 0.001 0.000 0.268 245 V C 0.768 176.861 176.094 -0.001 0.000 1.021 245 V CA -0.061 62.238 62.300 -0.000 0.000 0.813 245 V CB 0.832 32.655 31.823 -0.000 0.000 1.054 245 V HN 0.965 nan 8.190 nan 0.000 0.444 246 G N 2.582 111.382 108.800 -0.001 0.000 1.994 246 G HA2 0.447 4.407 3.960 0.001 0.000 0.975 246 G HA3 0.447 4.407 3.960 0.001 0.000 0.975 246 G C 0.891 175.790 174.900 -0.001 0.000 1.199 246 G CA 1.163 46.262 45.100 -0.001 0.000 1.368 246 G HN 2.118 nan 8.290 nan 0.000 0.737 247 G N -2.486 106.313 108.800 -0.002 0.000 2.492 247 G HA2 0.301 4.262 3.960 0.001 0.000 0.065 247 G HA3 0.301 4.262 3.960 0.001 0.000 0.065 247 G C -1.804 173.094 174.900 -0.003 0.000 0.956 247 G CA 0.719 45.818 45.100 -0.002 0.000 1.223 247 G HN 0.523 nan 8.290 nan 0.000 0.511 248 P HA -0.226 nan 4.420 nan 0.000 0.217 248 P C 1.897 179.193 177.300 -0.006 0.000 0.937 248 P CA 3.949 67.046 63.100 -0.005 0.000 1.028 248 P CB -0.440 31.258 31.700 -0.004 0.000 0.735 249 E N -1.068 119.129 120.200 -0.006 0.000 2.216 249 E HA -0.031 4.319 4.350 0.001 0.000 0.192 249 E C 2.043 178.640 176.600 -0.006 0.000 0.988 249 E CA 1.137 57.533 56.400 -0.007 0.000 0.834 249 E CB -1.337 28.360 29.700 -0.005 0.000 0.772 249 E HN 0.187 nan 8.360 nan 0.000 0.479 250 V N 0.725 120.636 119.914 -0.005 0.000 2.913 250 V HA 0.035 4.155 4.120 0.001 0.000 0.260 250 V C 2.376 178.467 176.094 -0.006 0.000 1.098 250 V CA 2.025 64.322 62.300 -0.005 0.000 1.121 250 V CB -0.653 31.168 31.823 -0.003 0.000 0.714 250 V HN 0.607 nan 8.190 nan 0.000 0.487 251 S N 0.007 115.703 115.700 -0.007 0.000 2.954 251 S HA 0.295 4.766 4.470 0.001 0.000 0.234 251 S C 1.604 176.198 174.600 -0.011 0.000 0.978 251 S CA 0.606 58.801 58.200 -0.008 0.000 1.045 251 S CB -0.836 62.359 63.200 -0.009 0.000 0.807 251 S HN 0.647 nan 8.310 nan 0.000 0.508 252 G N 2.282 111.076 108.800 -0.010 0.000 2.637 252 G HA2 -0.070 3.891 3.960 0.001 0.000 0.215 252 G HA3 -0.070 3.891 3.960 0.001 0.000 0.215 252 G C -0.684 174.211 174.900 -0.009 0.000 1.289 252 G CA 0.960 46.054 45.100 -0.011 0.000 0.816 252 G HN 0.471 nan 8.290 nan 0.000 0.580 253 P HA 0.023 nan 4.420 nan 0.000 0.224 253 P C 1.730 179.029 177.300 -0.002 0.000 1.142 253 P CA 1.790 64.888 63.100 -0.003 0.000 0.778 253 P CB -0.283 31.416 31.700 -0.002 0.000 0.764 254 I N -1.543 119.025 120.570 -0.003 0.000 2.270 254 I HA -0.050 4.121 4.170 0.001 0.000 0.239 254 I C 2.317 178.433 176.117 -0.002 0.000 1.080 254 I CA 1.240 62.539 61.300 -0.002 0.000 1.383 254 I CB -1.783 36.216 38.000 -0.002 0.000 1.097 254 I HN -0.158 nan 8.210 nan 0.000 0.420 255 L N -0.196 121.021 121.223 -0.010 0.000 2.376 255 L HA -0.092 4.249 4.340 0.001 0.000 0.219 255 L C 2.483 179.338 176.870 -0.024 0.000 1.133 255 L CA 1.663 56.492 54.840 -0.019 0.000 0.816 255 L CB -0.394 41.648 42.059 -0.029 0.000 0.933 255 L HN 0.736 nan 8.230 nan 0.000 0.449 256 E N 0.777 120.967 120.200 -0.017 0.000 2.158 256 E HA -0.158 4.193 4.350 0.001 0.000 0.191 256 E C 1.992 178.593 176.600 0.002 0.000 0.982 256 E CA 1.295 57.686 56.400 -0.014 0.000 0.823 256 E CB 0.095 29.788 29.700 -0.011 0.000 0.766 256 E HN 0.498 nan 8.360 nan 0.000 0.468 257 D N 1.172 121.576 120.400 0.007 0.000 2.085 257 D HA -0.122 4.519 4.640 0.001 0.000 0.199 257 D C 1.880 178.198 176.300 0.029 0.000 0.981 257 D CA 1.192 55.202 54.000 0.017 0.000 0.834 257 D CB -0.869 39.939 40.800 0.014 0.000 0.992 257 D HN 0.134 nan 8.370 nan 0.000 0.457 258 L N 1.041 122.279 121.223 0.026 0.000 2.040 258 L HA -0.213 4.127 4.340 0.001 0.000 0.228 258 L C 2.902 179.812 176.870 0.066 0.000 1.092 258 L CA 2.979 57.843 54.840 0.040 0.000 0.805 258 L CB -1.181 40.894 42.059 0.025 0.000 0.905 258 L HN 0.382 nan 8.230 nan 0.000 0.443 259 A N -1.084 121.756 122.820 0.034 0.000 1.865 259 A HA -0.261 4.059 4.320 0.001 0.000 0.217 259 A C 2.132 179.789 177.584 0.122 0.000 1.191 259 A CA 2.107 54.168 52.037 0.039 0.000 0.623 259 A CB -0.798 18.161 19.000 -0.068 0.000 0.826 259 A HN 0.645 nan 8.150 nan 0.000 0.444 260 N N -0.540 118.205 118.700 0.076 0.000 2.106 260 N HA -0.095 4.645 4.740 0.001 0.000 0.188 260 N C 1.828 177.391 175.510 0.088 0.000 1.029 260 N CA 1.234 54.333 53.050 0.081 0.000 0.848 260 N CB -0.490 38.025 38.487 0.048 0.000 1.007 260 N HN 0.476 nan 8.380 nan 0.000 0.423 261 R N 0.513 121.056 120.500 0.072 0.000 2.159 261 R HA -0.161 4.180 4.340 0.001 0.000 0.252 261 R C 2.207 178.559 176.300 0.088 0.000 1.144 261 R CA 1.371 57.511 56.100 0.067 0.000 0.961 261 R CB -0.552 29.782 30.300 0.057 0.000 0.877 261 R HN 0.274 nan 8.270 nan 0.000 0.444 262 I N 0.297 120.945 120.570 0.130 0.000 2.202 262 I HA -0.283 3.888 4.170 0.001 0.000 0.242 262 I C 2.209 178.399 176.117 0.121 0.000 1.091 262 I CA 1.337 62.724 61.300 0.144 0.000 1.368 262 I CB -0.171 37.972 38.000 0.239 0.000 1.058 262 I HN 0.124 nan 8.210 nan 0.000 0.410 263 I N 0.368 121.036 120.570 0.163 0.000 2.208 263 I HA -0.319 3.852 4.170 0.001 0.000 0.245 263 I C 2.422 178.588 176.117 0.081 0.000 1.097 263 I CA 1.494 62.871 61.300 0.128 0.000 1.363 263 I CB -0.437 37.657 38.000 0.157 0.000 1.051 263 I HN 0.237 nan 8.210 nan 0.000 0.413 264 E N 1.163 121.404 120.200 0.069 0.000 2.005 264 E HA -0.254 4.097 4.350 0.001 0.000 0.198 264 E C 1.885 178.501 176.600 0.028 0.000 1.010 264 E CA 2.058 58.483 56.400 0.041 0.000 0.825 264 E CB -0.174 29.545 29.700 0.032 0.000 0.769 264 E HN 0.458 nan 8.360 nan 0.000 0.456 265 N N 0.002 118.721 118.700 0.032 0.000 2.133 265 N HA -0.226 4.515 4.740 0.001 0.000 0.193 265 N C 1.778 177.285 175.510 -0.006 0.000 1.012 265 N CA 1.300 54.354 53.050 0.007 0.000 0.871 265 N CB -0.157 38.356 38.487 0.044 0.000 1.011 265 N HN 0.162 nan 8.380 nan 0.000 0.435 266 I N 0.427 121.049 120.570 0.086 0.000 2.193 266 I HA -0.197 3.973 4.170 0.001 0.000 0.240 266 I C 2.348 178.511 176.117 0.076 0.000 1.084 266 I CA 0.980 62.384 61.300 0.173 0.000 1.365 266 I CB -0.123 37.961 38.000 0.141 0.000 1.064 266 I HN 0.019 nan 8.210 nan 0.000 0.410 267 R N 0.587 121.115 120.500 0.046 0.000 2.103 267 R HA -0.188 4.153 4.340 0.001 0.000 0.242 267 R C 2.259 178.553 176.300 -0.010 0.000 1.142 267 R CA 1.411 57.527 56.100 0.026 0.000 0.960 267 R CB -0.580 29.735 30.300 0.025 0.000 0.858 267 R HN 0.289 nan 8.270 nan 0.000 0.439 268 L N 0.720 121.920 121.223 -0.039 0.000 1.963 268 L HA -0.352 3.989 4.340 0.001 0.000 0.220 268 L C 1.925 178.718 176.870 -0.129 0.000 1.076 268 L CA 1.824 56.616 54.840 -0.081 0.000 0.772 268 L CB -0.454 41.543 42.059 -0.103 0.000 0.892 268 L HN 0.420 nan 8.230 nan 0.000 0.435 269 N N -0.598 117.959 118.700 -0.238 0.000 2.106 269 N HA -0.152 4.589 4.740 0.001 0.000 0.188 269 N C 1.892 177.337 175.510 -0.109 0.000 1.029 269 N CA 1.284 54.134 53.050 -0.334 0.000 0.848 269 N CB -0.111 37.785 38.487 -0.985 0.000 1.007 269 N HN 0.336 nan 8.380 nan 0.000 0.423 270 L N 0.656 121.878 121.223 -0.002 0.000 2.095 270 L HA 0.008 4.349 4.340 0.001 0.000 0.204 270 L C 1.078 177.975 176.870 0.045 0.000 1.080 270 L CA 0.505 55.390 54.840 0.076 0.000 0.759 270 L CB -0.196 41.937 42.059 0.124 0.000 0.914 270 L HN 0.151 nan 8.230 nan 0.000 0.439 271 R N -1.251 119.262 120.500 0.021 0.000 3.794 271 R HA -0.266 4.074 4.340 0.001 0.000 0.485 271 R C 1.427 177.739 176.300 0.020 0.000 0.241 271 R CA 0.793 56.901 56.100 0.013 0.000 1.522 271 R CB -2.005 28.296 30.300 0.001 0.000 0.988 271 R HN 0.341 nan 8.270 nan 0.000 0.570 272 G N 1.137 109.945 108.800 0.013 0.000 2.545 272 G HA2 -0.318 3.642 3.960 0.001 0.000 0.222 272 G HA3 -0.318 3.642 3.960 0.001 0.000 0.222 272 G C 1.066 175.973 174.900 0.011 0.000 1.126 272 G CA 1.432 46.538 45.100 0.009 0.000 0.754 272 G HN 0.562 nan 8.290 nan 0.000 0.583 273 E N 0.031 120.248 120.200 0.028 0.000 2.401 273 E HA -0.044 4.307 4.350 0.001 0.000 0.199 273 E C 2.315 178.945 176.600 0.049 0.000 1.023 273 E CA 0.159 56.583 56.400 0.040 0.000 0.859 273 E CB -0.286 29.474 29.700 0.100 0.000 0.780 273 E HN 0.344 nan 8.360 nan 0.000 0.523 274 V N 1.776 121.719 119.914 0.047 0.000 3.383 274 V HA -0.144 3.976 4.120 0.001 0.000 0.272 274 V C 0.439 176.546 176.094 0.022 0.000 1.181 274 V CA 1.266 63.594 62.300 0.047 0.000 1.171 274 V CB -0.221 31.630 31.823 0.046 0.000 0.800 274 V HN 0.036 nan 8.190 nan 0.000 0.515 275 D N -0.768 119.631 120.400 -0.001 0.000 2.369 275 D HA 0.120 4.761 4.640 0.001 0.000 0.211 275 D C 2.008 178.276 176.300 -0.053 0.000 1.077 275 D CA 0.086 54.075 54.000 -0.019 0.000 0.842 275 D CB 0.095 40.883 40.800 -0.020 0.000 0.947 275 D HN 0.366 nan 8.370 nan 0.000 0.509 276 R N 0.235 120.683 120.500 -0.088 0.000 2.299 276 R HA 0.113 4.454 4.340 0.001 0.000 0.197 276 R C 0.179 176.407 176.300 -0.120 0.000 0.971 276 R CA 0.111 56.096 56.100 -0.191 0.000 1.030 276 R CB 0.655 30.695 30.300 -0.433 0.000 0.932 276 R HN -0.038 nan 8.270 nan 0.000 0.477 277 V N 2.265 122.170 119.914 -0.016 0.000 2.370 277 V HA -0.027 4.093 4.120 0.001 0.000 0.257 277 V C 1.621 177.734 176.094 0.031 0.000 1.064 277 V CA 0.410 62.739 62.300 0.048 0.000 0.975 277 V CB 0.846 32.710 31.823 0.068 0.000 1.067 277 V HN 0.298 nan 8.190 nan 0.000 0.485 278 T N 0.994 115.569 114.554 0.035 0.000 3.055 278 T HA 0.047 4.398 4.350 0.001 0.000 0.265 278 T C 0.668 175.388 174.700 0.032 0.000 1.111 278 T CA 0.623 62.739 62.100 0.026 0.000 1.118 278 T CB 0.099 68.979 68.868 0.021 0.000 0.909 278 T HN 0.536 nan 8.240 nan 0.000 0.501 279 S N 0.603 116.328 115.700 0.042 0.000 2.614 279 S HA 0.600 5.071 4.470 0.001 0.000 0.275 279 S C -1.056 173.563 174.600 0.032 0.000 1.161 279 S CA -0.920 57.301 58.200 0.035 0.000 0.969 279 S CB 1.640 64.859 63.200 0.031 0.000 1.059 279 S HN 0.336 nan 8.310 nan 0.000 0.482 280 L N 3.317 124.560 121.223 0.033 0.000 2.317 280 L HA 0.649 4.990 4.340 0.001 0.000 0.281 280 L C -0.939 175.954 176.870 0.038 0.000 1.024 280 L CA -0.745 54.113 54.840 0.030 0.000 0.810 280 L CB 1.301 43.391 42.059 0.052 0.000 1.240 280 L HN 0.644 nan 8.230 nan 0.000 0.427 281 I N 3.874 124.460 120.570 0.027 0.000 2.714 281 I HA 0.230 4.400 4.170 0.001 0.000 0.274 281 I C -2.461 173.682 176.117 0.044 0.000 1.261 281 I CA -1.222 60.099 61.300 0.035 0.000 1.008 281 I CB 1.664 39.673 38.000 0.014 0.000 1.289 281 I HN 0.282 nan 8.210 nan 0.000 0.529 282 P HA 0.174 nan 4.420 nan 0.000 0.267 282 P C -0.463 176.897 177.300 0.100 0.000 1.205 282 P CA 0.034 63.234 63.100 0.167 0.000 0.765 282 P CB 0.860 32.720 31.700 0.267 0.000 0.828 283 V N -0.030 119.931 119.914 0.078 0.000 3.112 283 V HA 0.982 5.103 4.120 0.001 0.000 0.310 283 V C -0.069 176.046 176.094 0.035 0.000 1.364 283 V CA -0.406 61.917 62.300 0.039 0.000 1.058 283 V CB 1.171 32.994 31.823 -0.000 0.000 1.079 283 V HN 0.909 nan 8.190 nan 0.000 0.463 284 G N -0.701 108.099 108.800 -0.001 0.000 2.758 284 G HA2 0.263 4.224 3.960 0.001 0.000 0.686 284 G HA3 0.263 4.224 3.960 0.001 0.000 0.686 284 G C 0.662 175.565 174.900 0.005 0.000 1.389 284 G CA -0.054 45.039 45.100 -0.011 0.000 0.845 284 G HN 2.189 nan 8.290 nan 0.000 0.572 285 G N 0.024 108.817 108.800 -0.011 0.000 2.418 285 G HA2 0.207 4.168 3.960 0.001 0.000 0.217 285 G HA3 0.207 4.168 3.960 0.001 0.000 0.217 285 G C 2.074 176.984 174.900 0.016 0.000 1.158 285 G CA 1.989 47.089 45.100 -0.000 0.000 0.771 285 G HN 2.021 nan 8.290 nan 0.000 0.545 286 G N 0.700 109.517 108.800 0.028 0.000 2.503 286 G HA2 -0.226 3.734 3.960 0.001 0.000 0.221 286 G HA3 -0.226 3.734 3.960 0.001 0.000 0.221 286 G C 2.070 176.983 174.900 0.022 0.000 1.131 286 G CA 1.473 46.593 45.100 0.033 0.000 0.756 286 G HN 0.424 nan 8.290 nan 0.000 0.572 287 S N 0.830 116.562 115.700 0.052 0.000 2.440 287 S HA -0.096 4.374 4.470 0.001 0.000 0.238 287 S C 2.022 176.615 174.600 -0.011 0.000 1.010 287 S CA 0.569 58.792 58.200 0.038 0.000 0.972 287 S CB -0.248 63.013 63.200 0.102 0.000 0.774 287 S HN 0.412 nan 8.310 nan 0.000 0.501 288 N N 0.976 119.676 118.700 0.000 0.000 2.635 288 N HA 0.014 4.754 4.740 0.001 0.000 0.191 288 N C 0.944 176.439 175.510 -0.025 0.000 1.155 288 N CA 0.713 53.759 53.050 -0.006 0.000 0.927 288 N CB -0.041 38.451 38.487 0.008 0.000 0.976 288 N HN 0.452 nan 8.380 nan 0.000 0.448 289 L N -1.444 119.750 121.223 -0.048 0.000 2.658 289 L HA 0.266 4.607 4.340 0.001 0.000 0.201 289 L C 1.596 178.405 176.870 -0.103 0.000 1.050 289 L CA 0.014 54.820 54.840 -0.057 0.000 0.893 289 L CB -0.296 41.738 42.059 -0.041 0.000 1.503 289 L HN -0.100 nan 8.230 nan 0.000 0.485 290 I N -1.504 118.973 120.570 -0.156 0.000 3.883 290 I HA 0.411 4.581 4.170 0.001 0.000 0.326 290 I C 2.028 177.853 176.117 -0.487 0.000 1.283 290 I CA 0.364 61.493 61.300 -0.284 0.000 1.161 290 I CB -0.348 37.481 38.000 -0.285 0.000 1.012 290 I HN 0.122 nan 8.210 nan 0.000 0.421 291 G N 2.105 110.713 108.800 -0.321 0.000 2.553 291 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 291 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 291 G C 1.256 175.983 174.900 -0.287 0.000 1.195 291 G CA 1.537 46.461 45.100 -0.293 0.000 0.779 291 G HN 0.461 nan 8.290 nan 0.000 0.577 292 D N 0.344 120.645 120.400 -0.165 0.000 2.178 292 D HA -0.078 4.562 4.640 0.001 0.000 0.201 292 D C 2.530 178.773 176.300 -0.096 0.000 0.980 292 D CA 0.396 54.345 54.000 -0.084 0.000 0.842 292 D CB -0.132 40.635 40.800 -0.056 0.000 0.948 292 D HN 0.089 nan 8.370 nan 0.000 0.472 293 R N 0.478 120.861 120.500 -0.194 0.000 2.261 293 R HA -0.119 4.222 4.340 0.001 0.000 0.236 293 R C 1.709 177.972 176.300 -0.062 0.000 1.141 293 R CA 0.384 56.389 56.100 -0.158 0.000 1.001 293 R CB -0.700 29.468 30.300 -0.221 0.000 0.866 293 R HN 0.295 nan 8.270 nan 0.000 0.468 294 F N 0.626 120.585 119.950 0.015 0.000 2.748 294 F HA 0.030 4.558 4.527 0.001 0.000 0.299 294 F C 2.162 177.973 175.800 0.019 0.000 1.154 294 F CA -0.138 57.873 58.000 0.019 0.000 1.446 294 F CB -0.515 38.495 39.000 0.017 0.000 1.112 294 F HN 0.116 nan 8.300 nan 0.000 0.584 295 E N 1.328 121.626 120.200 0.165 0.000 2.209 295 E HA -0.245 4.106 4.350 0.001 0.000 0.196 295 E C 1.985 178.639 176.600 0.091 0.000 0.993 295 E CA 1.406 57.871 56.400 0.109 0.000 0.819 295 E CB -0.158 29.580 29.700 0.064 0.000 0.745 295 E HN 0.625 nan 8.360 nan 0.000 0.477 296 E N 0.247 120.503 120.200 0.093 0.000 2.481 296 E HA -0.100 4.251 4.350 0.001 0.000 0.195 296 E C 1.764 178.405 176.600 0.070 0.000 1.047 296 E CA 0.228 56.670 56.400 0.070 0.000 0.867 296 E CB -0.153 29.583 29.700 0.059 0.000 0.858 296 E HN 0.404 nan 8.360 nan 0.000 0.513 297 I N 1.440 122.061 120.570 0.085 0.000 2.361 297 I HA -0.121 4.050 4.170 0.001 0.000 0.251 297 I C 1.016 177.164 176.117 0.051 0.000 1.133 297 I CA 0.987 62.327 61.300 0.065 0.000 1.413 297 I CB -0.048 37.988 38.000 0.060 0.000 1.073 297 I HN 0.220 nan 8.210 nan 0.000 0.424 298 A N 0.624 123.476 122.820 0.054 0.000 2.530 298 A HA 0.536 4.856 4.320 0.001 0.000 0.297 298 A C -2.806 174.804 177.584 0.042 0.000 1.059 298 A CA -0.900 51.162 52.037 0.041 0.000 0.782 298 A CB 0.866 19.888 19.000 0.036 0.000 1.301 298 A HN -0.195 nan 8.150 nan 0.000 0.394 299 P HA 0.473 nan 4.420 nan 0.000 0.282 299 P C 0.841 178.156 177.300 0.025 0.000 1.259 299 P CA 1.193 64.312 63.100 0.030 0.000 0.826 299 P CB 1.320 33.035 31.700 0.025 0.000 1.064 300 G N 1.257 110.071 108.800 0.024 0.000 2.283 300 G HA2 -0.260 3.701 3.960 0.001 0.000 0.280 300 G HA3 -0.260 3.701 3.960 0.001 0.000 0.280 300 G C 0.514 175.427 174.900 0.021 0.000 1.029 300 G CA 0.947 46.058 45.100 0.020 0.000 0.840 300 G HN 0.790 nan 8.290 nan 0.000 0.505 301 T N -3.762 110.809 114.554 0.028 0.000 2.993 301 T HA 0.452 4.803 4.350 0.001 0.000 0.260 301 T C 0.891 175.613 174.700 0.037 0.000 0.939 301 T CA 0.314 62.432 62.100 0.030 0.000 0.886 301 T CB 0.427 69.314 68.868 0.033 0.000 1.209 301 T HN 0.729 nan 8.240 nan 0.000 0.518 302 L N 3.444 124.693 121.223 0.043 0.000 2.578 302 L HA 0.337 4.678 4.340 0.001 0.000 0.279 302 L C -0.448 176.445 176.870 0.038 0.000 1.227 302 L CA 0.254 55.124 54.840 0.049 0.000 0.900 302 L CB 0.531 42.621 42.059 0.051 0.000 1.144 302 L HN 0.131 nan 8.230 nan 0.000 0.496 303 V N 5.051 124.989 119.914 0.040 0.000 2.370 303 V HA 0.476 4.596 4.120 0.001 0.000 0.283 303 V C 0.540 176.655 176.094 0.034 0.000 1.023 303 V CA -0.674 61.645 62.300 0.032 0.000 0.857 303 V CB 1.005 32.847 31.823 0.031 0.000 0.985 303 V HN 0.868 nan 8.190 nan 0.000 0.443 304 K N 4.802 125.218 120.400 0.027 0.000 2.489 304 K HA 0.564 4.885 4.320 0.001 0.000 0.278 304 K C -0.704 175.916 176.600 0.032 0.000 1.000 304 K CA 0.516 56.819 56.287 0.026 0.000 1.012 304 K CB 0.087 32.599 32.500 0.019 0.000 0.903 304 K HN 0.682 nan 8.250 nan 0.000 0.485 305 I N 0.548 121.141 120.570 0.038 0.000 2.775 305 I HA 0.421 4.592 4.170 0.001 0.000 0.295 305 I C 0.209 176.353 176.117 0.045 0.000 1.287 305 I CA -0.920 60.410 61.300 0.050 0.000 1.029 305 I CB 2.361 40.398 38.000 0.062 0.000 1.282 305 I HN 0.754 nan 8.210 nan 0.000 0.426 306 K N 5.778 126.208 120.400 0.050 0.000 2.416 306 K HA 0.293 4.614 4.320 0.001 0.000 0.283 306 K C -2.288 174.335 176.600 0.038 0.000 1.037 306 K CA -1.078 55.231 56.287 0.038 0.000 0.995 306 K CB -0.619 31.903 32.500 0.036 0.000 0.938 306 K HN 0.425 nan 8.250 nan 0.000 0.475 307 P HA -0.311 nan 4.420 nan 0.000 0.218 307 P C 1.139 178.465 177.300 0.043 0.000 1.152 307 P CA 1.804 64.923 63.100 0.032 0.000 0.857 307 P CB 0.408 32.121 31.700 0.022 0.000 0.787 308 E N -1.074 119.146 120.200 0.034 0.000 2.481 308 E HA -0.129 4.222 4.350 0.001 0.000 0.195 308 E C 0.680 177.307 176.600 0.045 0.000 1.047 308 E CA 0.957 57.378 56.400 0.035 0.000 0.867 308 E CB -0.594 29.098 29.700 -0.012 0.000 0.858 308 E HN 0.197 nan 8.360 nan 0.000 0.513 309 D N 0.627 121.054 120.400 0.044 0.000 2.346 309 D HA 0.128 4.769 4.640 0.001 0.000 0.206 309 D C 1.968 178.302 176.300 0.056 0.000 1.001 309 D CA 0.173 54.193 54.000 0.034 0.000 0.871 309 D CB 0.148 40.983 40.800 0.058 0.000 0.943 309 D HN 0.168 nan 8.370 nan 0.000 0.518 310 L N 0.223 121.487 121.223 0.068 0.000 1.976 310 L HA -0.163 4.178 4.340 0.001 0.000 0.209 310 L C 2.366 179.249 176.870 0.021 0.000 1.071 310 L CA 1.205 56.072 54.840 0.043 0.000 0.746 310 L CB -0.452 41.634 42.059 0.045 0.000 0.890 310 L HN -0.017 nan 8.230 nan 0.000 0.432 311 Q N -0.827 119.000 119.800 0.046 0.000 2.368 311 Q HA -0.161 4.180 4.340 0.001 0.000 0.210 311 Q C 1.481 177.323 176.000 -0.264 0.000 0.982 311 Q CA 1.439 57.184 55.803 -0.095 0.000 0.884 311 Q CB 0.127 28.796 28.738 -0.115 0.000 0.933 311 Q HN 0.493 nan 8.270 nan 0.000 0.460 312 F N -2.548 117.307 119.950 -0.158 0.000 2.706 312 F HA 0.298 4.826 4.527 0.001 0.000 0.313 312 F C 1.732 177.318 175.800 -0.358 0.000 1.096 312 F CA 0.001 57.863 58.000 -0.230 0.000 1.219 312 F CB 0.209 39.078 39.000 -0.218 0.000 1.051 312 F HN -0.051 nan 8.300 nan 0.000 0.568 313 A N 0.892 123.600 122.820 -0.188 0.000 1.958 313 A HA -0.290 4.031 4.320 0.001 0.000 0.221 313 A C 1.843 179.222 177.584 -0.341 0.000 1.178 313 A CA 2.570 54.414 52.037 -0.321 0.000 0.642 313 A CB -0.879 18.050 19.000 -0.117 0.000 0.816 313 A HN 0.457 nan 8.150 nan 0.000 0.453 314 N N -0.498 117.977 118.700 -0.375 0.000 2.135 314 N HA 0.048 4.788 4.740 0.001 0.000 0.186 314 N C 1.941 176.789 175.510 -1.103 0.000 1.027 314 N CA 1.272 53.915 53.050 -0.679 0.000 0.849 314 N CB -0.273 37.865 38.487 -0.583 0.000 1.002 314 N HN 0.461 nan 8.380 nan 0.000 0.425 315 A N 0.792 123.220 122.820 -0.652 0.000 1.877 315 A HA -0.079 4.242 4.320 0.001 0.000 0.216 315 A C 2.117 179.561 177.584 -0.233 0.000 1.186 315 A CA 0.984 52.800 52.037 -0.368 0.000 0.620 315 A CB -0.854 18.084 19.000 -0.104 0.000 0.822 315 A HN 0.211 nan 8.150 nan 0.000 0.443 316 L N -0.592 120.480 121.223 -0.251 0.000 2.013 316 L HA -0.203 4.138 4.340 0.001 0.000 0.212 316 L C 2.834 179.672 176.870 -0.053 0.000 1.073 316 L CA 1.304 56.025 54.840 -0.197 0.000 0.753 316 L CB -0.817 40.890 42.059 -0.587 0.000 0.890 316 L HN 0.515 nan 8.230 nan 0.000 0.432 317 G N -1.226 107.506 108.800 -0.113 0.000 2.418 317 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 317 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 317 G C 1.253 176.190 174.900 0.062 0.000 1.158 317 G CA 0.564 45.666 45.100 0.004 0.000 0.771 317 G HN 0.237 nan 8.290 nan 0.000 0.545 318 Y N 1.272 121.582 120.300 0.018 0.000 2.181 318 Y HA -0.025 4.526 4.550 0.001 0.000 0.288 318 Y C 3.272 179.180 175.900 0.014 0.000 1.146 318 Y CA 1.226 59.331 58.100 0.009 0.000 1.164 318 Y CB -1.280 37.173 38.460 -0.010 0.000 0.982 318 Y HN 0.289 nan 8.280 nan 0.000 0.515 319 R N 0.808 121.402 120.500 0.157 0.000 2.088 319 R HA -0.193 4.147 4.340 0.001 0.000 0.232 319 R C 1.902 178.254 176.300 0.086 0.000 1.136 319 R CA 2.141 58.298 56.100 0.095 0.000 0.926 319 R CB -1.752 28.588 30.300 0.067 0.000 0.837 319 R HN 0.371 nan 8.270 nan 0.000 0.429 320 D N 0.217 120.672 120.400 0.091 0.000 2.191 320 D HA -0.173 4.468 4.640 0.001 0.000 0.195 320 D C 2.137 178.479 176.300 0.070 0.000 1.003 320 D CA 1.997 56.045 54.000 0.081 0.000 0.867 320 D CB -0.426 40.434 40.800 0.099 0.000 0.926 320 D HN 0.636 nan 8.370 nan 0.000 0.450 321 A N 0.718 123.591 122.820 0.088 0.000 1.883 321 A HA -0.084 4.237 4.320 0.001 0.000 0.217 321 A C 2.335 179.954 177.584 0.058 0.000 1.186 321 A CA 2.520 54.604 52.037 0.078 0.000 0.624 321 A CB -0.978 18.086 19.000 0.106 0.000 0.822 321 A HN 0.258 nan 8.150 nan 0.000 0.444 322 A N -0.855 122.001 122.820 0.060 0.000 1.908 322 A HA 0.006 4.326 4.320 0.001 0.000 0.218 322 A C 2.191 179.796 177.584 0.035 0.000 1.181 322 A CA 2.688 54.750 52.037 0.042 0.000 0.627 322 A CB -1.186 17.838 19.000 0.041 0.000 0.818 322 A HN 0.789 nan 8.150 nan 0.000 0.445 323 E N -0.855 119.368 120.200 0.038 0.000 2.051 323 E HA -0.178 4.173 4.350 0.001 0.000 0.192 323 E C 2.244 178.859 176.600 0.025 0.000 0.991 323 E CA 2.365 58.783 56.400 0.030 0.000 0.799 323 E CB -1.233 28.486 29.700 0.032 0.000 0.748 323 E HN 0.879 nan 8.360 nan 0.000 0.449 324 R N 0.208 120.724 120.500 0.027 0.000 2.339 324 R HA 0.512 4.853 4.340 0.001 0.000 0.199 324 R C 1.788 178.100 176.300 0.020 0.000 1.018 324 R CA 1.453 57.566 56.100 0.021 0.000 1.036 324 R CB -1.387 28.926 30.300 0.020 0.000 0.899 324 R HN 0.911 nan 8.270 nan 0.000 0.473 325 S N 0.000 115.713 115.700 0.022 0.000 2.498 325 S HA 0.000 4.471 4.470 0.001 0.000 0.327 325 S CA 0.000 58.211 58.200 0.019 0.000 1.107 325 S CB 0.000 63.212 63.200 0.021 0.000 0.593 325 S HN 0.000 nan 8.310 nan 0.000 0.517