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 2vt0_1_A DATA FIRST_RESID -1 DATA SEQUENCE EFARPcIPKS FGYSSVVcVc NATYcDSFXX XXXPALGTFS RYESTRSGRR DATA SEQUENCE MELSMGPIQA NHTGTGLLLT LQPEQKFQKV KGFGGAMTDA AALNILALSP DATA SEQUENCE PAQNLLLKSY FSEEGIGYNI IRVPMASCDF SIRTYTYADT PDDFQLHNFS DATA SEQUENCE LPEEDTKLKI PLIHRALQLA QRPVSLLASP WTSPTWLKTN GAVNGKGSLK DATA SEQUENCE GQPGDIYHQT WARYFVKFLD AYAEHKLQFW AVTAENEPSA GLLSGYPFQC DATA SEQUENCE LGFTPEHQRD FIARDLGPTL ANSTHHNVRL LMLDDQRLLL PHWAKVVLTD DATA SEQUENCE PEAAKYVHGI AVHWYLDFLA PAKATLGETH RLFPNTMLFA SEACVGSKFW DATA SEQUENCE EQSVRLGSWD RGMQYSHSII TNLLYHVVGW TDWNLALNPE GGPNWVRNFV DATA SEQUENCE DSPIIVDITK DTFYKQPMFY HLGHFSKFIP EGSQRVGLVA SQKNDLDAVA DATA SEQUENCE LMHPDGSAVV VVLNRSSKDV PLTIKDPAVG FLETISPGYS IHTYLWHRQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 E HA 0.000 nan 4.350 nan 0.000 0.291 -1 E C 0.000 176.510 176.600 -0.150 0.000 1.382 -1 E CA 0.000 56.326 56.400 -0.124 0.000 0.976 -1 E CB 0.000 29.690 29.700 -0.016 0.000 0.812 0 F N 0.969 120.933 119.950 0.023 0.000 2.418 0 F HA 0.559 5.086 4.527 0.001 0.000 0.341 0 F C 1.547 177.358 175.800 0.019 0.000 1.120 0 F CA 0.355 58.371 58.000 0.027 0.000 1.232 0 F CB 1.602 40.614 39.000 0.020 0.000 1.175 0 F HN 0.727 nan 8.300 nan 0.000 0.569 1 A N 4.556 127.515 122.820 0.232 0.000 2.522 1 A HA 0.260 4.581 4.320 0.001 0.000 0.256 1 A C 0.070 177.704 177.584 0.083 0.000 1.086 1 A CA -0.332 51.781 52.037 0.128 0.000 0.763 1 A CB -0.142 18.937 19.000 0.132 0.000 1.024 1 A HN 0.779 nan 8.150 nan 0.000 0.502 2 R N 4.075 124.575 120.500 0.000 0.000 2.393 2 R HA 0.471 4.812 4.340 0.001 0.000 0.310 2 R C -2.732 173.581 176.300 0.023 0.000 0.968 2 R CA -1.785 54.312 56.100 -0.005 0.000 0.867 2 R CB 1.622 31.775 30.300 -0.246 0.000 1.124 2 R HN 0.522 nan 8.270 nan 0.000 0.450 3 P HA 0.067 nan 4.420 nan 0.000 0.278 3 P C -0.039 177.336 177.300 0.126 0.000 1.266 3 P CA -0.730 62.413 63.100 0.071 0.000 0.807 3 P CB 0.658 32.389 31.700 0.052 0.000 1.094 4 c N 2.356 120.982 118.600 0.044 0.000 2.634 4 c HA 0.152 4.723 4.570 0.001 0.000 0.418 4 c C 0.571 174.687 174.090 0.044 0.000 1.373 4 c CA -0.436 55.919 56.329 0.044 0.000 1.756 4 c CB -1.996 40.490 42.510 -0.041 0.000 2.589 4 c HN 0.235 nan 8.230 nan 0.000 0.602 5 I N 9.551 130.152 120.570 0.051 0.000 2.291 5 I HA 0.296 4.467 4.170 0.001 0.000 0.292 5 I C -1.658 174.456 176.117 -0.005 0.000 1.064 5 I CA -2.435 58.844 61.300 -0.036 0.000 1.269 5 I CB 0.440 38.370 38.000 -0.117 0.000 1.418 5 I HN 0.578 nan 8.210 nan 0.000 0.485 6 P HA 0.363 nan 4.420 nan 0.000 0.286 6 P C -0.782 176.506 177.300 -0.021 0.000 1.261 6 P CA -0.691 62.408 63.100 -0.003 0.000 0.821 6 P CB 2.015 33.701 31.700 -0.023 0.000 1.013 7 K N 1.012 121.409 120.400 -0.005 0.000 2.501 7 K HA 0.435 4.755 4.320 0.001 0.000 0.252 7 K C -0.975 175.542 176.600 -0.138 0.000 0.934 7 K CA -0.569 55.651 56.287 -0.111 0.000 0.797 7 K CB 1.877 34.297 32.500 -0.134 0.000 1.270 7 K HN 0.346 nan 8.250 nan 0.000 0.431 8 S N 2.826 118.375 115.700 -0.251 0.000 2.541 8 S HA 0.492 4.963 4.470 0.001 0.000 0.283 8 S C -0.455 173.883 174.600 -0.437 0.000 1.196 8 S CA -0.524 57.564 58.200 -0.187 0.000 1.062 8 S CB 0.319 63.431 63.200 -0.147 0.000 1.009 8 S HN 0.537 nan 8.310 nan 0.000 0.502 9 F N 2.266 122.156 119.950 -0.099 0.000 2.764 9 F HA 0.381 4.908 4.527 0.001 0.000 0.310 9 F C 1.619 177.194 175.800 -0.374 0.000 1.124 9 F CA 0.097 58.001 58.000 -0.160 0.000 1.252 9 F CB 0.627 39.590 39.000 -0.062 0.000 1.010 9 F HN 0.898 nan 8.300 nan 0.000 0.518 10 G N -0.629 108.033 108.800 -0.230 0.000 2.159 10 G HA2 -0.327 3.633 3.960 0.001 0.000 0.256 10 G HA3 -0.327 3.633 3.960 0.001 0.000 0.256 10 G C 0.103 174.722 174.900 -0.468 0.000 0.977 10 G CA -0.018 44.871 45.100 -0.351 0.000 0.652 10 G HN 0.396 nan 8.290 nan 0.000 0.531 11 Y N 0.366 120.719 120.300 0.089 0.000 2.564 11 Y HA 0.474 5.024 4.550 0.001 0.000 0.347 11 Y C 2.226 178.167 175.900 0.068 0.000 1.284 11 Y CA 0.078 58.224 58.100 0.077 0.000 1.449 11 Y CB 0.361 38.875 38.460 0.090 0.000 1.606 11 Y HN 0.210 nan 8.280 nan 0.000 0.594 12 S N -1.305 114.555 115.700 0.268 0.000 2.481 12 S HA 0.013 4.484 4.470 0.001 0.000 0.231 12 S C 0.647 175.321 174.600 0.122 0.000 0.996 12 S CA 0.837 59.126 58.200 0.148 0.000 0.942 12 S CB -0.142 63.132 63.200 0.123 0.000 0.768 12 S HN 0.466 nan 8.310 nan 0.000 0.520 13 S N -0.560 115.259 115.700 0.198 0.000 2.840 13 S HA 0.694 5.164 4.470 0.001 0.000 0.307 13 S C -0.819 173.888 174.600 0.177 0.000 1.180 13 S CA -0.254 58.041 58.200 0.158 0.000 0.846 13 S CB 1.084 64.433 63.200 0.248 0.000 1.233 13 S HN 0.741 nan 8.310 nan 0.000 0.548 14 V N 0.850 120.856 119.914 0.153 0.000 2.966 14 V HA 0.935 5.055 4.120 0.001 0.000 0.317 14 V C 0.257 176.479 176.094 0.213 0.000 1.070 14 V CA -0.478 61.909 62.300 0.145 0.000 1.008 14 V CB 0.922 32.783 31.823 0.063 0.000 1.070 14 V HN 0.909 nan 8.190 nan 0.000 0.457 15 V N -0.738 119.309 119.914 0.223 0.000 2.966 15 V HA 0.697 4.817 4.120 0.001 0.000 0.317 15 V C 0.040 176.263 176.094 0.215 0.000 1.070 15 V CA -0.568 61.886 62.300 0.256 0.000 1.008 15 V CB 1.269 33.258 31.823 0.276 0.000 1.070 15 V HN 1.086 nan 8.190 nan 0.000 0.457 16 c N 2.164 120.906 118.600 0.236 0.000 2.303 16 c HA 0.688 5.258 4.570 0.001 0.000 0.326 16 c C 0.244 174.419 174.090 0.143 0.000 1.285 16 c CA -0.654 55.770 56.329 0.159 0.000 1.675 16 c CB 0.293 42.902 42.510 0.165 0.000 2.289 16 c HN 0.758 nan 8.230 nan 0.000 0.512 17 V N 2.837 122.816 119.914 0.109 0.000 2.461 17 V HA 0.374 4.495 4.120 0.001 0.000 0.275 17 V C 0.187 176.199 176.094 -0.136 0.000 1.047 17 V CA -0.093 62.237 62.300 0.049 0.000 0.955 17 V CB 0.572 32.468 31.823 0.120 0.000 0.988 17 V HN 1.061 nan 8.190 nan 0.000 0.471 18 c N 5.467 123.798 118.600 -0.447 0.000 2.634 18 c HA 0.827 5.398 4.570 0.001 0.000 0.313 18 c C 0.113 173.830 174.090 -0.621 0.000 1.198 18 c CA -0.693 55.233 56.329 -0.671 0.000 1.605 18 c CB 1.487 43.089 42.510 -1.513 0.000 2.196 18 c HN 1.102 nan 8.230 nan 0.000 0.486 19 N N 0.612 119.138 118.700 -0.291 0.000 3.506 19 N HA 0.527 5.267 4.740 0.001 0.000 0.331 19 N C 0.341 175.859 175.510 0.013 0.000 1.631 19 N CA -0.097 52.886 53.050 -0.112 0.000 0.786 19 N CB 0.248 38.695 38.487 -0.067 0.000 2.023 19 N HN 0.474 nan 8.380 nan 0.000 0.621 20 A N -1.106 121.738 122.820 0.040 0.000 2.019 20 A HA -0.019 4.301 4.320 0.001 0.000 0.219 20 A C 1.480 179.098 177.584 0.057 0.000 1.164 20 A CA 2.525 54.598 52.037 0.060 0.000 0.644 20 A CB -1.252 17.776 19.000 0.046 0.000 0.805 20 A HN 0.903 nan 8.150 nan 0.000 0.449 21 T N -6.352 108.238 114.554 0.061 0.000 3.003 21 T HA 0.350 4.700 4.350 0.001 0.000 0.261 21 T C -0.126 174.637 174.700 0.105 0.000 1.003 21 T CA -0.132 62.010 62.100 0.071 0.000 0.917 21 T CB -0.119 68.791 68.868 0.070 0.000 1.084 21 T HN 0.268 nan 8.240 nan 0.000 0.522 22 Y N 0.491 120.770 120.300 -0.034 0.000 2.386 22 Y HA 0.609 5.160 4.550 0.001 0.000 0.334 22 Y C -1.397 174.449 175.900 -0.089 0.000 1.002 22 Y CA -1.549 56.522 58.100 -0.049 0.000 1.068 22 Y CB 1.745 40.169 38.460 -0.060 0.000 1.203 22 Y HN 0.307 nan 8.280 nan 0.000 0.443 23 c N 7.243 125.541 118.600 -0.503 0.000 2.783 23 c HA 0.407 4.978 4.570 0.001 0.000 0.312 23 c C -1.094 172.723 174.090 -0.456 0.000 1.182 23 c CA -0.807 55.327 56.329 -0.325 0.000 1.432 23 c CB 0.614 43.049 42.510 -0.126 0.000 1.933 23 c HN 0.944 nan 8.230 nan 0.000 0.473 24 D N 3.162 123.435 120.400 -0.212 0.000 2.423 24 D HA 0.392 5.032 4.640 0.001 0.000 0.238 24 D C -0.111 176.080 176.300 -0.181 0.000 1.142 24 D CA 0.424 54.329 54.000 -0.158 0.000 0.884 24 D CB 1.112 41.904 40.800 -0.013 0.000 1.199 24 D HN 0.833 nan 8.370 nan 0.000 0.438 25 S N -0.275 115.302 115.700 -0.204 0.000 2.643 25 S HA 0.616 5.087 4.470 0.001 0.000 0.270 25 S C -1.023 173.441 174.600 -0.227 0.000 1.166 25 S CA -1.008 57.091 58.200 -0.168 0.000 0.815 25 S CB 0.697 63.869 63.200 -0.046 0.000 1.139 25 S HN 0.353 nan 8.310 nan 0.000 0.472 33 A N 0.704 123.580 122.820 0.094 0.000 2.583 33 A HA 0.462 4.783 4.320 0.001 0.000 0.231 33 A C 1.105 178.749 177.584 0.100 0.000 1.065 33 A CA 0.388 52.467 52.037 0.070 0.000 0.760 33 A CB -0.462 18.559 19.000 0.036 0.000 1.001 33 A HN 1.151 nan 8.150 nan 0.000 0.509 34 L N 0.979 122.250 121.223 0.081 0.000 2.492 34 L HA 0.479 4.819 4.340 0.001 0.000 0.280 34 L C 1.218 178.131 176.870 0.071 0.000 1.240 34 L CA 0.225 55.122 54.840 0.095 0.000 0.831 34 L CB -0.654 41.443 42.059 0.063 0.000 1.100 34 L HN 1.449 nan 8.230 nan 0.000 0.505 35 G N 1.393 110.236 108.800 0.073 0.000 3.064 35 G HA2 0.495 4.456 3.960 0.001 0.000 0.286 35 G HA3 0.495 4.456 3.960 0.001 0.000 0.286 35 G C 0.432 175.382 174.900 0.083 0.000 0.834 35 G CA 0.576 45.736 45.100 0.100 0.000 1.856 35 G HN 1.417 nan 8.290 nan 0.000 0.559 36 T N -0.928 113.679 114.554 0.089 0.000 2.949 36 T HA 0.770 5.121 4.350 0.001 0.000 0.287 36 T C -0.281 174.506 174.700 0.145 0.000 1.034 36 T CA -1.015 61.101 62.100 0.028 0.000 1.018 36 T CB 1.733 70.566 68.868 -0.059 0.000 1.135 36 T HN 0.456 nan 8.240 nan 0.000 0.532 37 F N -0.648 119.336 119.950 0.056 0.000 2.507 37 F HA 0.839 5.367 4.527 0.001 0.000 0.327 37 F C -0.353 175.501 175.800 0.089 0.000 1.068 37 F CA -1.180 56.893 58.000 0.121 0.000 0.965 37 F CB 1.276 40.317 39.000 0.068 0.000 1.192 37 F HN 0.537 nan 8.300 nan 0.000 0.476 38 S N 2.087 117.958 115.700 0.285 0.000 2.541 38 S HA 0.519 4.989 4.470 0.001 0.000 0.283 38 S C -0.663 174.043 174.600 0.177 0.000 1.196 38 S CA -0.845 57.408 58.200 0.089 0.000 1.062 38 S CB 1.113 64.338 63.200 0.040 0.000 1.009 38 S HN 0.741 nan 8.310 nan 0.000 0.502 39 R N 2.245 122.688 120.500 -0.094 0.000 2.439 39 R HA 0.354 4.695 4.340 0.001 0.000 0.310 39 R C -1.879 174.104 176.300 -0.528 0.000 0.955 39 R CA -0.440 55.484 56.100 -0.293 0.000 0.853 39 R CB 0.607 30.803 30.300 -0.173 0.000 1.171 39 R HN 0.616 nan 8.270 nan 0.000 0.449 40 Y N 2.130 122.213 120.300 -0.362 0.000 2.326 40 Y HA 0.265 4.816 4.550 0.001 0.000 0.337 40 Y C 0.231 176.090 175.900 -0.068 0.000 1.023 40 Y CA -0.353 57.632 58.100 -0.192 0.000 1.143 40 Y CB 1.539 39.853 38.460 -0.244 0.000 1.183 40 Y HN 0.540 nan 8.280 nan 0.000 0.485 41 E N 1.726 121.993 120.200 0.110 0.000 2.248 41 E HA 0.658 5.009 4.350 0.001 0.000 0.267 41 E C -1.431 175.352 176.600 0.304 0.000 0.877 41 E CA -0.611 55.877 56.400 0.147 0.000 0.759 41 E CB 1.280 30.926 29.700 -0.091 0.000 1.182 41 E HN 0.580 nan 8.360 nan 0.000 0.418 42 S N 1.830 117.739 115.700 0.349 0.000 2.521 42 S HA 0.580 5.051 4.470 0.001 0.000 0.295 42 S C -0.951 173.838 174.600 0.316 0.000 1.098 42 S CA -0.735 57.675 58.200 0.349 0.000 0.999 42 S CB 1.780 65.265 63.200 0.474 0.000 1.034 42 S HN 0.652 nan 8.310 nan 0.000 0.483 43 T N -0.902 113.700 114.554 0.080 0.000 2.906 43 T HA 0.501 4.851 4.350 0.001 0.000 0.295 43 T C 0.766 174.863 174.700 -1.004 0.000 1.075 43 T CA -0.964 60.969 62.100 -0.278 0.000 1.005 43 T CB 1.703 70.491 68.868 -0.133 0.000 1.136 43 T HN 0.468 nan 8.240 nan 0.000 0.498 44 R N 0.930 120.529 120.500 -1.501 0.000 2.103 44 R HA -0.133 4.208 4.340 0.001 0.000 0.242 44 R C 2.321 178.261 176.300 -0.601 0.000 1.142 44 R CA 2.272 57.455 56.100 -1.529 0.000 0.960 44 R CB -0.658 28.936 30.300 -1.177 0.000 0.858 44 R HN 0.817 nan 8.270 nan 0.000 0.439 45 S N -1.820 113.654 115.700 -0.377 0.000 2.507 45 S HA 0.036 4.507 4.470 0.001 0.000 0.235 45 S C 1.312 175.819 174.600 -0.156 0.000 0.988 45 S CA 0.895 58.978 58.200 -0.195 0.000 0.944 45 S CB 0.476 63.602 63.200 -0.124 0.000 0.762 45 S HN 0.628 nan 8.310 nan 0.000 0.526 46 G N 0.359 109.050 108.800 -0.182 0.000 2.425 46 G HA2 -0.102 3.859 3.960 0.001 0.000 0.177 46 G HA3 -0.102 3.859 3.960 0.001 0.000 0.177 46 G C 0.011 174.865 174.900 -0.075 0.000 0.999 46 G CA -0.673 44.366 45.100 -0.102 0.000 0.723 46 G HN 0.490 nan 8.290 nan 0.000 0.491 47 R N 0.556 121.018 120.500 -0.064 0.000 2.543 47 R HA 0.623 4.964 4.340 0.001 0.000 0.277 47 R C -0.229 176.069 176.300 -0.003 0.000 1.074 47 R CA -0.100 55.987 56.100 -0.021 0.000 1.076 47 R CB 0.471 30.780 30.300 0.015 0.000 0.993 47 R HN -0.042 nan 8.270 nan 0.000 0.459 48 R N 3.533 124.012 120.500 -0.035 0.000 2.422 48 R HA 0.187 4.527 4.340 0.001 0.000 0.307 48 R C -0.154 176.185 176.300 0.064 0.000 1.004 48 R CA -0.576 55.447 56.100 -0.128 0.000 0.882 48 R CB 1.219 31.239 30.300 -0.466 0.000 1.164 48 R HN 0.796 nan 8.270 nan 0.000 0.489 49 M N 0.980 120.746 119.600 0.276 0.000 2.136 49 M HA -0.266 4.215 4.480 0.001 0.000 0.194 49 M C -0.480 176.055 176.300 0.392 0.000 0.337 49 M CA 1.298 56.842 55.300 0.406 0.000 0.385 49 M CB -1.287 31.639 32.600 0.544 0.000 1.066 49 M HN 0.411 nan 8.290 nan 0.000 0.943 50 E N 1.002 121.326 120.200 0.207 0.000 2.316 50 E HA 0.342 4.692 4.350 0.001 0.000 0.275 50 E C -0.297 176.271 176.600 -0.053 0.000 1.029 50 E CA -0.616 55.835 56.400 0.086 0.000 0.871 50 E CB 1.114 30.828 29.700 0.023 0.000 1.022 50 E HN 0.248 nan 8.360 nan 0.000 0.418 51 L N 3.241 124.382 121.223 -0.137 0.000 2.326 51 L HA 0.252 4.593 4.340 0.001 0.000 0.278 51 L C -0.358 176.350 176.870 -0.270 0.000 1.092 51 L CA 0.369 54.950 54.840 -0.431 0.000 0.810 51 L CB 0.905 42.771 42.059 -0.321 0.000 1.153 51 L HN 0.590 nan 8.230 nan 0.000 0.439 52 S N 4.459 119.974 115.700 -0.309 0.000 2.638 52 S HA 0.856 5.326 4.470 0.001 0.000 0.274 52 S C -0.739 173.716 174.600 -0.241 0.000 1.157 52 S CA -1.007 57.069 58.200 -0.207 0.000 0.826 52 S CB 1.456 64.569 63.200 -0.146 0.000 1.139 52 S HN 0.604 nan 8.310 nan 0.000 0.474 53 M N 0.210 119.659 119.600 -0.252 0.000 2.631 53 M HA 0.767 5.248 4.480 0.001 0.000 0.288 53 M C -0.167 175.791 176.300 -0.570 0.000 1.260 53 M CA -0.367 54.688 55.300 -0.408 0.000 0.842 53 M CB 2.837 35.266 32.600 -0.284 0.000 1.743 53 M HN 1.110 nan 8.290 nan 0.000 0.461 54 G N 0.922 109.076 108.800 -1.076 0.000 2.692 54 G HA2 0.801 4.761 3.960 0.001 0.000 0.291 54 G HA3 0.801 4.761 3.960 0.001 0.000 0.291 54 G C -3.376 171.096 174.900 -0.714 0.000 1.423 54 G CA -1.072 43.399 45.100 -1.048 0.000 0.843 54 G HN 0.350 nan 8.290 nan 0.000 0.486 55 P HA 0.434 nan 4.420 nan 0.000 0.286 55 P C -0.312 177.082 177.300 0.158 0.000 1.261 55 P CA -0.477 62.609 63.100 -0.022 0.000 0.821 55 P CB 1.958 33.660 31.700 0.004 0.000 1.013 56 I N 3.381 124.030 120.570 0.131 0.000 2.363 56 I HA 0.075 4.245 4.170 0.001 0.000 0.292 56 I C 1.223 177.383 176.117 0.073 0.000 1.075 56 I CA -0.317 61.033 61.300 0.082 0.000 1.333 56 I CB 0.269 38.270 38.000 0.002 0.000 1.415 56 I HN 0.174 nan 8.210 nan 0.000 0.502 57 Q N 4.878 124.741 119.800 0.104 0.000 2.354 57 Q HA 0.241 4.582 4.340 0.001 0.000 0.244 57 Q C 0.900 177.014 176.000 0.190 0.000 0.969 57 Q CA -0.213 55.666 55.803 0.127 0.000 0.885 57 Q CB 1.183 29.998 28.738 0.130 0.000 1.241 57 Q HN 0.790 nan 8.270 nan 0.000 0.461 58 A N 2.777 125.693 122.820 0.160 0.000 1.970 58 A HA -0.052 4.268 4.320 0.001 0.000 0.216 58 A C 0.335 178.106 177.584 0.311 0.000 1.170 58 A CA 0.974 53.125 52.037 0.190 0.000 0.645 58 A CB -0.007 19.057 19.000 0.108 0.000 0.816 58 A HN 0.800 nan 8.150 nan 0.000 0.447 59 N N -2.313 116.496 118.700 0.180 0.000 2.381 59 N HA 0.587 5.328 4.740 0.001 0.000 0.294 59 N C -0.966 174.328 175.510 -0.360 0.000 1.216 59 N CA -0.583 52.470 53.050 0.005 0.000 0.803 59 N CB 1.218 39.689 38.487 -0.026 0.000 1.372 59 N HN 0.405 nan 8.380 nan 0.000 0.500 60 H N -1.111 117.485 119.070 -0.790 0.000 3.029 60 H HA 0.548 5.105 4.556 0.001 0.000 0.358 60 H C -1.840 173.220 175.328 -0.446 0.000 1.129 60 H CA -0.369 55.196 56.048 -0.805 0.000 1.230 60 H CB 1.398 30.271 29.762 -1.481 0.000 1.827 60 H HN 0.494 nan 8.280 nan 0.000 0.530 61 T N 3.165 117.122 114.554 -0.995 0.000 2.893 61 T HA 0.756 5.106 4.350 0.001 0.000 0.293 61 T C -0.328 173.915 174.700 -0.761 0.000 1.027 61 T CA -0.171 61.509 62.100 -0.700 0.000 0.988 61 T CB 1.596 70.257 68.868 -0.345 0.000 1.043 61 T HN 1.138 nan 8.240 nan 0.000 0.461 62 G N 0.660 109.189 108.800 -0.451 0.000 2.339 62 G HA2 0.304 4.265 3.960 0.001 0.000 0.381 62 G HA3 0.304 4.265 3.960 0.001 0.000 0.381 62 G C 0.014 174.857 174.900 -0.095 0.000 1.400 62 G CA -0.047 44.916 45.100 -0.229 0.000 1.002 62 G HN 1.018 nan 8.290 nan 0.000 0.633 63 T N -1.711 112.826 114.554 -0.028 0.000 3.174 63 T HA 0.585 4.936 4.350 0.001 0.000 0.269 63 T C 1.188 175.908 174.700 0.034 0.000 1.017 63 T CA 1.024 63.130 62.100 0.009 0.000 0.899 63 T CB 0.436 69.301 68.868 -0.005 0.000 1.077 63 T HN 1.638 nan 8.240 nan 0.000 0.552 64 G N 1.562 110.398 108.800 0.059 0.000 2.616 64 G HA2 0.490 4.450 3.960 0.001 0.000 0.268 64 G HA3 0.490 4.450 3.960 0.001 0.000 0.268 64 G C -0.208 174.719 174.900 0.045 0.000 1.213 64 G CA -0.908 44.221 45.100 0.049 0.000 0.926 64 G HN 0.500 nan 8.290 nan 0.000 0.523 65 L N -0.246 120.987 121.223 0.017 0.000 2.540 65 L HA 0.375 4.716 4.340 0.001 0.000 0.276 65 L C -0.275 176.583 176.870 -0.021 0.000 1.212 65 L CA -0.077 54.764 54.840 0.003 0.000 0.893 65 L CB 0.567 42.622 42.059 -0.007 0.000 1.138 65 L HN 0.343 nan 8.230 nan 0.000 0.491 66 L N 6.313 127.527 121.223 -0.016 0.000 2.362 66 L HA 0.569 4.909 4.340 0.001 0.000 0.275 66 L C -1.336 175.514 176.870 -0.033 0.000 0.998 66 L CA -0.276 54.535 54.840 -0.048 0.000 0.820 66 L CB 1.526 43.581 42.059 -0.007 0.000 1.270 66 L HN 0.568 nan 8.230 nan 0.000 0.415 67 L N 4.904 126.092 121.223 -0.059 0.000 2.287 67 L HA 0.542 4.882 4.340 0.001 0.000 0.287 67 L C -0.411 176.438 176.870 -0.036 0.000 1.022 67 L CA -0.420 54.398 54.840 -0.037 0.000 0.814 67 L CB 1.677 43.709 42.059 -0.045 0.000 1.217 67 L HN 0.605 nan 8.230 nan 0.000 0.420 68 T N 3.938 118.486 114.554 -0.009 0.000 2.770 68 T HA 0.393 4.744 4.350 0.001 0.000 0.283 68 T C -0.130 174.579 174.700 0.014 0.000 0.988 68 T CA -0.501 61.593 62.100 -0.010 0.000 0.957 68 T CB 1.624 70.494 68.868 0.004 0.000 0.930 68 T HN 0.187 nan 8.240 nan 0.000 0.443 69 L N 3.458 124.695 121.223 0.024 0.000 2.456 69 L HA 0.201 4.541 4.340 0.001 0.000 0.272 69 L C 0.453 177.348 176.870 0.042 0.000 1.189 69 L CA 0.655 55.529 54.840 0.057 0.000 0.846 69 L CB 0.491 42.612 42.059 0.104 0.000 1.111 69 L HN 0.636 nan 8.230 nan 0.000 0.475 70 Q N 6.019 125.852 119.800 0.055 0.000 2.788 70 Q HA 0.251 4.592 4.340 0.001 0.000 0.261 70 Q C -1.701 174.323 176.000 0.040 0.000 1.029 70 Q CA -1.476 54.355 55.803 0.047 0.000 0.848 70 Q CB 1.033 29.809 28.738 0.064 0.000 1.185 70 Q HN 0.472 nan 8.270 nan 0.000 0.482 71 P HA -0.209 nan 4.420 nan 0.000 0.225 71 P C 0.844 178.140 177.300 -0.006 0.000 1.148 71 P CA 1.198 64.306 63.100 0.013 0.000 0.779 71 P CB 0.415 32.121 31.700 0.011 0.000 0.780 72 E N -0.676 119.516 120.200 -0.013 0.000 2.400 72 E HA -0.045 4.306 4.350 0.001 0.000 0.195 72 E C 0.369 176.921 176.600 -0.081 0.000 1.012 72 E CA 0.466 56.845 56.400 -0.036 0.000 0.875 72 E CB -0.482 29.205 29.700 -0.023 0.000 0.859 72 E HN 0.183 nan 8.360 nan 0.000 0.498 73 Q N 1.978 121.727 119.800 -0.086 0.000 2.324 73 Q HA 0.220 4.561 4.340 0.001 0.000 0.257 73 Q C -0.396 175.367 176.000 -0.394 0.000 1.080 73 Q CA 0.278 55.946 55.803 -0.225 0.000 0.907 73 Q CB 0.965 29.665 28.738 -0.064 0.000 1.274 73 Q HN 0.054 nan 8.270 nan 0.000 0.434 74 K N 3.060 123.133 120.400 -0.546 0.000 2.221 74 K HA 0.514 4.834 4.320 0.001 0.000 0.258 74 K C -0.259 175.982 176.600 -0.600 0.000 0.944 74 K CA -0.344 55.721 56.287 -0.370 0.000 0.823 74 K CB 1.273 33.664 32.500 -0.181 0.000 1.113 74 K HN 0.271 nan 8.250 nan 0.000 0.431 75 F N 0.273 120.248 119.950 0.042 0.000 3.142 75 F HA 0.172 4.700 4.527 0.001 0.000 0.166 75 F C 0.991 176.836 175.800 0.075 0.000 1.598 75 F CA -0.565 57.472 58.000 0.063 0.000 0.920 75 F CB -0.101 38.914 39.000 0.025 0.000 1.949 75 F HN 0.324 nan 8.300 nan 0.000 0.306 76 Q N 2.268 122.253 119.800 0.309 0.000 2.306 76 Q HA 0.281 4.622 4.340 0.001 0.000 0.241 76 Q C -1.327 174.764 176.000 0.150 0.000 0.948 76 Q CA -0.325 55.599 55.803 0.202 0.000 0.886 76 Q CB 1.206 30.056 28.738 0.186 0.000 1.227 76 Q HN 0.458 nan 8.270 nan 0.000 0.457 77 K N 1.125 121.598 120.400 0.122 0.000 2.174 77 K HA 0.371 4.692 4.320 0.001 0.000 0.275 77 K C -0.549 176.099 176.600 0.080 0.000 1.015 77 K CA -0.708 55.635 56.287 0.094 0.000 0.933 77 K CB 1.572 34.118 32.500 0.077 0.000 1.025 77 K HN 0.404 nan 8.250 nan 0.000 0.463 78 V N 3.671 123.619 119.914 0.056 0.000 2.530 78 V HA 0.000 4.121 4.120 0.001 0.000 0.282 78 V C 1.253 177.323 176.094 -0.039 0.000 1.048 78 V CA -0.000 62.307 62.300 0.013 0.000 0.997 78 V CB 1.165 33.012 31.823 0.039 0.000 0.987 78 V HN 0.759 nan 8.190 nan 0.000 0.477 79 K N 3.784 124.140 120.400 -0.073 0.000 2.067 79 K HA 0.366 4.687 4.320 0.001 0.000 0.203 79 K C 0.702 177.149 176.600 -0.255 0.000 1.048 79 K CA 1.439 57.625 56.287 -0.168 0.000 0.954 79 K CB -0.027 32.380 32.500 -0.156 0.000 0.737 79 K HN 0.998 nan 8.250 nan 0.000 0.444 80 G N -1.983 106.607 108.800 -0.350 0.000 2.350 80 G HA2 0.261 4.221 3.960 0.001 0.000 0.276 80 G HA3 0.261 4.221 3.960 0.001 0.000 0.276 80 G C -1.563 172.861 174.900 -0.794 0.000 1.313 80 G CA -0.800 44.037 45.100 -0.438 0.000 0.903 80 G HN 0.033 nan 8.290 nan 0.000 0.490 81 F N -0.240 119.684 119.950 -0.044 0.000 2.601 81 F HA 0.825 5.352 4.527 0.001 0.000 0.309 81 F C 0.746 176.307 175.800 -0.397 0.000 1.089 81 F CA 0.433 58.351 58.000 -0.137 0.000 0.940 81 F CB 2.366 41.315 39.000 -0.085 0.000 1.273 81 F HN 1.279 nan 8.300 nan 0.000 0.450 82 G N 0.081 108.597 108.800 -0.473 0.000 2.450 82 G HA2 0.609 4.569 3.960 0.001 0.000 0.273 82 G HA3 0.609 4.569 3.960 0.001 0.000 0.273 82 G C -1.264 173.187 174.900 -0.749 0.000 1.221 82 G CA -0.019 44.438 45.100 -1.073 0.000 0.900 82 G HN 1.085 nan 8.290 nan 0.000 0.483 83 G N -1.607 106.979 108.800 -0.356 0.000 2.721 83 G HA2 0.791 4.751 3.960 0.001 0.000 0.296 83 G HA3 0.791 4.751 3.960 0.001 0.000 0.296 83 G C -1.162 173.754 174.900 0.028 0.000 1.383 83 G CA 0.474 45.510 45.100 -0.107 0.000 0.788 83 G HN 1.739 nan 8.290 nan 0.000 0.500 84 A N -0.360 122.482 122.820 0.037 0.000 2.317 84 A HA 0.653 4.974 4.320 0.001 0.000 0.327 84 A C -0.243 177.314 177.584 -0.044 0.000 1.178 84 A CA -0.630 51.448 52.037 0.069 0.000 0.817 84 A CB 1.393 20.507 19.000 0.190 0.000 1.189 84 A HN 0.770 nan 8.150 nan 0.000 0.489 85 M N 3.842 123.465 119.600 0.038 0.000 3.176 85 M HA 0.223 4.704 4.480 0.001 0.000 0.284 85 M C 0.638 176.929 176.300 -0.016 0.000 1.392 85 M CA -0.166 55.146 55.300 0.020 0.000 1.520 85 M CB -0.768 31.884 32.600 0.086 0.000 1.100 85 M HN 0.767 nan 8.290 nan 0.000 0.555 86 T N -1.036 113.418 114.554 -0.166 0.000 2.766 86 T HA 0.197 4.548 4.350 0.001 0.000 0.295 86 T C 0.835 175.504 174.700 -0.051 0.000 1.024 86 T CA -0.556 61.436 62.100 -0.180 0.000 1.018 86 T CB 0.612 69.223 68.868 -0.429 0.000 1.002 86 T HN 0.506 nan 8.240 nan 0.000 0.532 87 D N 0.984 121.386 120.400 0.004 0.000 2.133 87 D HA -0.110 4.531 4.640 0.001 0.000 0.195 87 D C 2.330 178.655 176.300 0.042 0.000 0.997 87 D CA 1.840 55.873 54.000 0.056 0.000 0.840 87 D CB -0.838 40.024 40.800 0.103 0.000 0.947 87 D HN 0.743 nan 8.370 nan 0.000 0.452 88 A N 0.856 123.704 122.820 0.045 0.000 1.898 88 A HA 0.009 4.330 4.320 0.001 0.000 0.216 88 A C 2.314 179.899 177.584 0.003 0.000 1.181 88 A CA 2.169 54.252 52.037 0.077 0.000 0.620 88 A CB -0.710 18.434 19.000 0.241 0.000 0.819 88 A HN 0.239 nan 8.150 nan 0.000 0.442 89 A N -0.039 122.733 122.820 -0.080 0.000 1.877 89 A HA 0.165 4.486 4.320 0.001 0.000 0.216 89 A C 2.528 180.100 177.584 -0.019 0.000 1.186 89 A CA 2.124 54.115 52.037 -0.077 0.000 0.620 89 A CB -1.098 17.826 19.000 -0.125 0.000 0.822 89 A HN 1.056 nan 8.150 nan 0.000 0.443 90 A N -0.194 122.624 122.820 -0.004 0.000 1.883 90 A HA -0.099 4.222 4.320 0.001 0.000 0.217 90 A C 2.191 179.784 177.584 0.016 0.000 1.186 90 A CA 1.611 53.658 52.037 0.016 0.000 0.624 90 A CB -0.701 18.317 19.000 0.031 0.000 0.822 90 A HN 0.480 nan 8.150 nan 0.000 0.444 91 L N -0.234 121.002 121.223 0.022 0.000 2.042 91 L HA -0.242 4.098 4.340 0.001 0.000 0.210 91 L C 2.464 179.344 176.870 0.018 0.000 1.076 91 L CA 1.393 56.247 54.840 0.024 0.000 0.749 91 L CB -0.684 41.398 42.059 0.037 0.000 0.893 91 L HN 0.422 nan 8.230 nan 0.000 0.432 92 N N 0.302 119.011 118.700 0.014 0.000 2.084 92 N HA -0.165 4.576 4.740 0.001 0.000 0.190 92 N C 1.920 177.425 175.510 -0.008 0.000 1.030 92 N CA 1.574 54.628 53.050 0.006 0.000 0.849 92 N CB -0.218 38.271 38.487 0.004 0.000 1.012 92 N HN 0.334 nan 8.380 nan 0.000 0.423 93 I N 1.044 121.604 120.570 -0.016 0.000 2.252 93 I HA -0.193 3.977 4.170 0.001 0.000 0.245 93 I C 1.990 178.096 176.117 -0.019 0.000 1.102 93 I CA 0.766 62.044 61.300 -0.037 0.000 1.385 93 I CB -0.154 37.832 38.000 -0.022 0.000 1.064 93 I HN 0.029 nan 8.210 nan 0.000 0.414 94 L N 0.406 121.627 121.223 -0.003 0.000 2.376 94 L HA -0.074 4.266 4.340 0.001 0.000 0.219 94 L C 2.617 179.491 176.870 0.007 0.000 1.133 94 L CA 0.576 55.419 54.840 0.004 0.000 0.816 94 L CB -0.498 41.566 42.059 0.008 0.000 0.933 94 L HN 0.216 nan 8.230 nan 0.000 0.449 95 A N -0.159 122.665 122.820 0.008 0.000 2.067 95 A HA 0.028 4.349 4.320 0.001 0.000 0.219 95 A C 1.187 178.780 177.584 0.015 0.000 1.158 95 A CA 0.515 52.559 52.037 0.012 0.000 0.661 95 A CB -0.344 18.664 19.000 0.014 0.000 0.801 95 A HN 0.259 nan 8.150 nan 0.000 0.452 96 L N 0.753 121.983 121.223 0.012 0.000 2.439 96 L HA 0.230 4.570 4.340 0.001 0.000 0.261 96 L C 1.108 177.993 176.870 0.025 0.000 1.153 96 L CA -0.413 54.442 54.840 0.025 0.000 0.808 96 L CB 0.964 43.041 42.059 0.030 0.000 1.126 96 L HN 0.359 nan 8.230 nan 0.000 0.460 97 S N 0.760 116.479 115.700 0.033 0.000 2.573 97 S HA 0.122 4.593 4.470 0.001 0.000 0.277 97 S C -1.925 172.693 174.600 0.030 0.000 1.346 97 S CA -0.972 57.245 58.200 0.029 0.000 1.034 97 S CB 0.709 63.928 63.200 0.032 0.000 0.879 97 S HN 0.413 nan 8.310 nan 0.000 0.528 98 P HA -0.029 nan 4.420 nan 0.000 0.216 98 P C -1.533 175.786 177.300 0.031 0.000 1.150 98 P CA 1.200 64.314 63.100 0.023 0.000 0.843 98 P CB -1.008 30.703 31.700 0.018 0.000 0.787 99 P HA -0.100 nan 4.420 nan 0.000 0.217 99 P C 1.397 178.738 177.300 0.068 0.000 1.151 99 P CA 1.688 64.815 63.100 0.045 0.000 0.828 99 P CB -0.576 31.150 31.700 0.043 0.000 0.788 100 A N -0.128 122.743 122.820 0.085 0.000 1.930 100 A HA -0.229 4.092 4.320 0.001 0.000 0.217 100 A C 2.241 179.888 177.584 0.104 0.000 1.175 100 A CA 1.423 53.556 52.037 0.160 0.000 0.627 100 A CB -1.270 17.828 19.000 0.163 0.000 0.815 100 A HN 0.180 nan 8.150 nan 0.000 0.443 101 Q N -0.096 119.719 119.800 0.025 0.000 2.061 101 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 101 Q C 1.819 177.809 176.000 -0.017 0.000 0.984 101 Q CA 1.526 57.310 55.803 -0.031 0.000 0.846 101 Q CB -0.321 28.412 28.738 -0.007 0.000 0.902 101 Q HN 0.601 nan 8.270 nan 0.000 0.421 102 N N 0.636 119.349 118.700 0.022 0.000 2.149 102 N HA -0.123 4.617 4.740 0.001 0.000 0.188 102 N C 1.761 177.299 175.510 0.047 0.000 1.019 102 N CA 1.049 54.121 53.050 0.037 0.000 0.857 102 N CB -0.147 38.364 38.487 0.040 0.000 0.997 102 N HN 0.249 nan 8.380 nan 0.000 0.426 103 L N 0.355 121.621 121.223 0.071 0.000 2.217 103 L HA 0.001 4.342 4.340 0.001 0.000 0.211 103 L C 2.320 179.235 176.870 0.076 0.000 1.107 103 L CA 0.314 55.224 54.840 0.117 0.000 0.783 103 L CB -0.235 41.941 42.059 0.195 0.000 0.919 103 L HN 0.138 nan 8.230 nan 0.000 0.442 104 L N -0.282 120.837 121.223 -0.173 0.000 2.044 104 L HA -0.179 4.161 4.340 0.001 0.000 0.205 104 L C 2.447 179.222 176.870 -0.158 0.000 1.075 104 L CA 1.293 55.798 54.840 -0.559 0.000 0.747 104 L CB -0.025 41.424 42.059 -1.017 0.000 0.903 104 L HN 0.163 nan 8.230 nan 0.000 0.435 105 L N -0.154 121.080 121.223 0.018 0.000 2.046 105 L HA -0.232 4.108 4.340 0.001 0.000 0.208 105 L C 2.654 179.695 176.870 0.284 0.000 1.077 105 L CA 1.430 56.425 54.840 0.259 0.000 0.747 105 L CB -0.498 41.688 42.059 0.212 0.000 0.896 105 L HN 0.230 nan 8.230 nan 0.000 0.432 106 K N -0.396 120.092 120.400 0.146 0.000 2.057 106 K HA -0.131 4.190 4.320 0.001 0.000 0.207 106 K C 2.306 178.958 176.600 0.087 0.000 1.049 106 K CA 1.498 57.862 56.287 0.128 0.000 0.931 106 K CB -0.206 32.346 32.500 0.086 0.000 0.714 106 K HN 0.122 nan 8.250 nan 0.000 0.440 107 S N 0.394 116.107 115.700 0.021 0.000 2.372 107 S HA -0.206 4.264 4.470 0.001 0.000 0.227 107 S C 1.825 176.421 174.600 -0.006 0.000 1.044 107 S CA 1.547 59.741 58.200 -0.011 0.000 1.050 107 S CB -0.360 62.694 63.200 -0.243 0.000 0.901 107 S HN 0.335 nan 8.310 nan 0.000 0.447 108 Y N -1.111 119.089 120.300 -0.168 0.000 2.231 108 Y HA 0.050 4.601 4.550 0.001 0.000 0.294 108 Y C 1.862 177.315 175.900 -0.745 0.000 1.120 108 Y CA 0.845 58.511 58.100 -0.723 0.000 1.141 108 Y CB -0.046 37.763 38.460 -1.084 0.000 1.022 108 Y HN 0.211 nan 8.280 nan 0.000 0.523 109 F N -1.492 118.531 119.950 0.122 0.000 2.678 109 F HA 0.089 4.617 4.527 0.001 0.000 0.291 109 F C 1.423 177.258 175.800 0.059 0.000 1.123 109 F CA -0.126 57.935 58.000 0.102 0.000 1.395 109 F CB 0.146 39.209 39.000 0.105 0.000 1.121 109 F HN -0.225 nan 8.300 nan 0.000 0.592 110 S N 0.076 115.885 115.700 0.181 0.000 2.652 110 S HA 0.096 4.566 4.470 0.001 0.000 0.270 110 S C 1.300 175.930 174.600 0.051 0.000 1.243 110 S CA -0.591 57.679 58.200 0.118 0.000 0.999 110 S CB 0.929 64.195 63.200 0.111 0.000 0.973 110 S HN 0.096 nan 8.310 nan 0.000 0.544 111 E N 1.573 121.791 120.200 0.031 0.000 2.338 111 E HA -0.085 4.266 4.350 0.001 0.000 0.197 111 E C 1.376 177.985 176.600 0.015 0.000 1.007 111 E CA 0.961 57.352 56.400 -0.016 0.000 0.849 111 E CB -0.197 29.495 29.700 -0.012 0.000 0.774 111 E HN 0.797 nan 8.360 nan 0.000 0.506 112 E N 0.154 120.403 120.200 0.081 0.000 2.481 112 E HA 0.113 4.464 4.350 0.001 0.000 0.195 112 E C 1.169 177.957 176.600 0.314 0.000 1.047 112 E CA 0.404 56.910 56.400 0.176 0.000 0.867 112 E CB 0.393 30.164 29.700 0.118 0.000 0.858 112 E HN 0.097 nan 8.360 nan 0.000 0.513 113 G N 1.416 110.336 108.800 0.201 0.000 3.175 113 G HA2 0.387 4.348 3.960 0.001 0.000 0.153 113 G HA3 0.387 4.348 3.960 0.001 0.000 0.153 113 G C 0.482 175.429 174.900 0.077 0.000 1.216 113 G CA -0.603 44.634 45.100 0.229 0.000 0.943 113 G HN 0.187 nan 8.290 nan 0.000 0.611 114 I N -2.409 118.118 120.570 -0.072 0.000 3.941 114 I HA 0.514 4.685 4.170 0.001 0.000 0.335 114 I C 1.098 177.064 176.117 -0.251 0.000 1.402 114 I CA 0.243 61.377 61.300 -0.277 0.000 1.112 114 I CB 0.470 38.211 38.000 -0.432 0.000 1.043 114 I HN 0.844 nan 8.210 nan 0.000 0.395 115 G N 1.290 110.002 108.800 -0.148 0.000 2.246 115 G HA2 -0.310 3.651 3.960 0.001 0.000 0.273 115 G HA3 -0.310 3.651 3.960 0.001 0.000 0.273 115 G C -0.026 174.937 174.900 0.105 0.000 1.055 115 G CA -0.156 44.916 45.100 -0.047 0.000 0.851 115 G HN 0.635 nan 8.290 nan 0.000 0.500 116 Y N 0.251 120.494 120.300 -0.096 0.000 2.578 116 Y HA 0.100 4.651 4.550 0.001 0.000 0.339 116 Y C 1.659 177.635 175.900 0.125 0.000 1.231 116 Y CA 0.363 58.434 58.100 -0.049 0.000 1.461 116 Y CB 0.588 38.845 38.460 -0.338 0.000 1.323 116 Y HN 0.458 nan 8.280 nan 0.000 0.590 117 N N 2.683 121.519 118.700 0.227 0.000 2.240 117 N HA 0.177 4.917 4.740 0.001 0.000 0.240 117 N C -0.958 174.586 175.510 0.057 0.000 1.277 117 N CA 0.180 53.317 53.050 0.145 0.000 0.873 117 N CB 0.360 38.879 38.487 0.052 0.000 1.222 117 N HN 0.461 nan 8.380 nan 0.000 0.507 118 I N 1.106 121.720 120.570 0.074 0.000 2.619 118 I HA 0.482 4.653 4.170 0.001 0.000 0.292 118 I C -0.933 175.258 176.117 0.123 0.000 1.100 118 I CA -0.875 60.455 61.300 0.049 0.000 1.043 118 I CB 2.435 40.452 38.000 0.029 0.000 1.239 118 I HN -0.160 nan 8.210 nan 0.000 0.420 119 I N 5.166 125.826 120.570 0.151 0.000 2.468 119 I HA 0.402 4.572 4.170 0.001 0.000 0.285 119 I C -0.284 175.964 176.117 0.218 0.000 1.039 119 I CA -0.536 60.868 61.300 0.174 0.000 1.074 119 I CB 2.014 40.092 38.000 0.129 0.000 1.228 119 I HN 0.506 nan 8.210 nan 0.000 0.436 120 R N 5.396 126.041 120.500 0.241 0.000 2.308 120 R HA 0.636 4.976 4.340 0.001 0.000 0.305 120 R C -1.290 175.199 176.300 0.315 0.000 1.053 120 R CA -0.392 55.898 56.100 0.316 0.000 0.957 120 R CB 1.275 31.784 30.300 0.349 0.000 1.022 120 R HN 0.449 nan 8.270 nan 0.000 0.461 121 V N 7.374 127.503 119.914 0.358 0.000 2.378 121 V HA 0.325 4.446 4.120 0.001 0.000 0.288 121 V C -2.192 174.067 176.094 0.276 0.000 1.016 121 V CA -2.240 60.258 62.300 0.330 0.000 0.840 121 V CB 1.516 33.606 31.823 0.445 0.000 0.994 121 V HN 0.806 nan 8.190 nan 0.000 0.431 122 P HA 0.258 nan 4.420 nan 0.000 0.269 122 P C -0.417 176.918 177.300 0.058 0.000 1.209 122 P CA -0.061 63.159 63.100 0.200 0.000 0.776 122 P CB 0.444 32.083 31.700 -0.101 0.000 0.876 123 M N 2.898 122.465 119.600 -0.054 0.000 2.111 123 M HA 0.480 4.961 4.480 0.001 0.000 0.351 123 M C 0.577 176.763 176.300 -0.190 0.000 1.214 123 M CA 0.145 55.291 55.300 -0.257 0.000 1.120 123 M CB -0.118 32.098 32.600 -0.639 0.000 1.443 123 M HN 0.576 nan 8.290 nan 0.000 0.429 124 A N 1.775 124.435 122.820 -0.267 0.000 5.950 124 A HA -0.159 4.162 4.320 0.001 0.000 0.259 124 A C 0.257 177.541 177.584 -0.501 0.000 2.176 124 A CA 0.373 52.072 52.037 -0.563 0.000 0.709 124 A CB -1.777 16.629 19.000 -0.990 0.000 1.054 124 A HN 0.920 nan 8.150 nan 0.000 0.357 125 S N -0.201 114.954 115.700 -0.908 0.000 2.584 125 S HA 0.618 5.088 4.470 0.001 0.000 0.273 125 S C 0.528 174.882 174.600 -0.410 0.000 1.311 125 S CA 0.188 57.957 58.200 -0.718 0.000 1.034 125 S CB 0.628 63.245 63.200 -0.971 0.000 0.939 125 S HN 2.497 nan 8.310 nan 0.000 0.513 126 C N 0.704 119.781 119.300 -0.370 0.000 3.327 126 C HA 0.654 5.115 4.460 0.001 0.000 0.366 126 C C 1.466 176.442 174.990 -0.024 0.000 2.438 126 C CA 0.037 58.800 59.018 -0.425 0.000 1.438 126 C CB 0.488 27.435 27.740 -1.321 0.000 2.876 126 C HN 0.872 nan 8.230 nan 0.000 0.483 127 D N 0.686 120.990 120.400 -0.161 0.000 2.178 127 D HA -0.126 4.515 4.640 0.001 0.000 0.202 127 D C 0.791 176.864 176.300 -0.378 0.000 0.974 127 D CA 1.196 54.950 54.000 -0.410 0.000 0.841 127 D CB -0.562 39.461 40.800 -1.295 0.000 0.953 127 D HN 0.599 nan 8.370 nan 0.000 0.478 128 F N 1.253 121.142 119.950 -0.102 0.000 2.859 128 F HA 0.252 4.780 4.527 0.001 0.000 0.315 128 F C 0.404 176.171 175.800 -0.056 0.000 1.207 128 F CA 0.010 57.957 58.000 -0.089 0.000 1.370 128 F CB -0.036 38.834 39.000 -0.216 0.000 1.314 128 F HN -0.252 nan 8.300 nan 0.000 0.555 129 S N 0.415 116.177 115.700 0.103 0.000 2.570 129 S HA 0.434 4.905 4.470 0.001 0.000 0.286 129 S C 0.865 175.562 174.600 0.161 0.000 1.099 129 S CA -0.739 57.531 58.200 0.116 0.000 0.913 129 S CB 1.755 64.975 63.200 0.034 0.000 1.085 129 S HN 0.405 nan 8.310 nan 0.000 0.480 130 I N -0.624 120.023 120.570 0.128 0.000 3.883 130 I HA 0.441 4.612 4.170 0.001 0.000 0.326 130 I C 0.526 176.681 176.117 0.062 0.000 1.283 130 I CA 0.242 61.617 61.300 0.124 0.000 1.161 130 I CB 0.102 38.161 38.000 0.098 0.000 1.012 130 I HN 0.309 nan 8.210 nan 0.000 0.421 131 R N 1.717 122.225 120.500 0.014 0.000 2.673 131 R HA 0.418 4.758 4.340 0.001 0.000 0.281 131 R C -0.742 175.450 176.300 -0.181 0.000 0.991 131 R CA -0.346 55.726 56.100 -0.045 0.000 0.896 131 R CB 1.745 32.084 30.300 0.064 0.000 1.201 131 R HN 0.265 nan 8.270 nan 0.000 0.457 132 T N 1.120 115.439 114.554 -0.392 0.000 2.806 132 T HA 0.543 4.894 4.350 0.001 0.000 0.290 132 T C -0.656 173.948 174.700 -0.160 0.000 0.966 132 T CA -0.393 61.413 62.100 -0.489 0.000 1.060 132 T CB 0.644 69.062 68.868 -0.749 0.000 0.927 132 T HN 0.564 nan 8.240 nan 0.000 0.485 133 Y N -0.779 119.384 120.300 -0.228 0.000 2.620 133 Y HA 0.674 5.225 4.550 0.001 0.000 0.331 133 Y C -0.388 175.411 175.900 -0.169 0.000 1.173 133 Y CA -1.106 56.900 58.100 -0.157 0.000 1.076 133 Y CB 0.687 39.076 38.460 -0.118 0.000 1.336 133 Y HN 0.926 nan 8.280 nan 0.000 0.459 134 T N -2.380 112.155 114.554 -0.032 0.000 2.804 134 T HA 0.427 4.778 4.350 0.001 0.000 0.272 134 T C -0.278 174.457 174.700 0.058 0.000 0.986 134 T CA -0.612 61.433 62.100 -0.092 0.000 0.999 134 T CB 0.913 69.770 68.868 -0.018 0.000 1.307 134 T HN 0.767 nan 8.240 nan 0.000 0.586 135 Y N -0.177 120.216 120.300 0.155 0.000 2.511 135 Y HA 0.504 5.055 4.550 0.001 0.000 0.279 135 Y C 1.539 177.290 175.900 -0.249 0.000 1.157 135 Y CA -0.302 57.611 58.100 -0.311 0.000 1.300 135 Y CB 0.408 38.176 38.460 -1.153 0.000 1.052 135 Y HN 0.754 nan 8.280 nan 0.000 0.529 136 A N -0.232 122.780 122.820 0.320 0.000 3.370 136 A HA 0.256 4.577 4.320 0.001 0.000 0.295 136 A C -0.268 177.624 177.584 0.513 0.000 1.030 136 A CA -0.470 51.831 52.037 0.441 0.000 0.883 136 A CB -0.191 19.244 19.000 0.726 0.000 1.191 136 A HN 0.120 nan 8.150 nan 0.000 0.507 137 D N 0.539 121.140 120.400 0.335 0.000 2.355 137 D HA 0.003 4.644 4.640 0.001 0.000 0.218 137 D C 0.385 176.842 176.300 0.261 0.000 1.004 137 D CA 0.962 55.151 54.000 0.314 0.000 0.880 137 D CB 0.279 41.181 40.800 0.171 0.000 0.911 137 D HN 0.427 nan 8.370 nan 0.000 0.528 138 T N 3.502 118.154 114.554 0.164 0.000 2.817 138 T HA 0.174 4.525 4.350 0.001 0.000 0.295 138 T C -2.375 172.108 174.700 -0.362 0.000 0.958 138 T CA -1.149 60.929 62.100 -0.038 0.000 1.157 138 T CB 1.260 70.105 68.868 -0.038 0.000 0.898 138 T HN -0.036 nan 8.240 nan 0.000 0.536 139 P HA 0.156 nan 4.420 nan 0.000 0.269 139 P C 0.184 176.828 177.300 -1.095 0.000 1.209 139 P CA -0.003 62.608 63.100 -0.816 0.000 0.776 139 P CB 0.292 31.826 31.700 -0.276 0.000 0.876 140 D N -0.644 118.727 120.400 -1.714 0.000 2.983 140 D HA -0.197 4.443 4.640 0.001 0.000 0.225 140 D C 0.002 175.613 176.300 -1.148 0.000 1.174 140 D CA 1.065 54.313 54.000 -1.252 0.000 0.831 140 D CB -1.707 38.902 40.800 -0.318 0.000 1.104 140 D HN 0.474 nan 8.370 nan 0.000 0.421 141 D N -0.605 118.903 120.400 -1.487 0.000 2.767 141 D HA 0.062 4.703 4.640 0.001 0.000 0.231 141 D C 1.108 177.245 176.300 -0.272 0.000 1.105 141 D CA -0.184 53.453 54.000 -0.605 0.000 1.024 141 D CB -0.854 39.770 40.800 -0.294 0.000 1.123 141 D HN 0.170 nan 8.370 nan 0.000 0.470 142 F N 0.361 120.277 119.950 -0.057 0.000 2.202 142 F HA -0.180 4.348 4.527 0.001 0.000 0.301 142 F C 2.321 178.194 175.800 0.121 0.000 1.082 142 F CA 0.985 59.098 58.000 0.189 0.000 1.313 142 F CB -0.193 38.876 39.000 0.116 0.000 1.024 142 F HN 0.296 nan 8.300 nan 0.000 0.495 143 Q N 0.004 119.858 119.800 0.090 0.000 2.369 143 Q HA 0.009 4.350 4.340 0.001 0.000 0.206 143 Q C 0.859 176.852 176.000 -0.011 0.000 0.963 143 Q CA 0.589 56.334 55.803 -0.097 0.000 0.894 143 Q CB 0.103 28.466 28.738 -0.625 0.000 0.965 143 Q HN 0.419 nan 8.270 nan 0.000 0.475 144 L N 0.617 121.914 121.223 0.123 0.000 3.898 144 L HA -0.270 4.071 4.340 0.001 0.000 0.407 144 L C 0.620 177.665 176.870 0.291 0.000 1.207 144 L CA -0.235 54.779 54.840 0.291 0.000 0.931 144 L CB -1.725 40.538 42.059 0.340 0.000 2.014 144 L HN 0.405 nan 8.230 nan 0.000 0.858 145 H N -0.251 118.927 119.070 0.180 0.000 2.421 145 H HA -0.039 4.518 4.556 0.001 0.000 0.298 145 H C 1.627 177.049 175.328 0.156 0.000 1.087 145 H CA 2.022 58.153 56.048 0.138 0.000 1.330 145 H CB -0.023 29.794 29.762 0.091 0.000 1.388 145 H HN 0.551 nan 8.280 nan 0.000 0.526 146 N N -0.202 118.679 118.700 0.302 0.000 2.295 146 N HA 0.050 4.791 4.740 0.001 0.000 0.221 146 N C -0.481 175.191 175.510 0.269 0.000 1.129 146 N CA -0.275 52.914 53.050 0.233 0.000 0.836 146 N CB 0.071 38.654 38.487 0.160 0.000 1.040 146 N HN 0.088 nan 8.380 nan 0.000 0.494 147 F N 2.251 122.309 119.950 0.180 0.000 2.538 147 F HA 0.215 4.742 4.527 0.001 0.000 0.371 147 F C 0.495 176.359 175.800 0.106 0.000 1.087 147 F CA -0.080 58.018 58.000 0.163 0.000 1.250 147 F CB 0.379 39.449 39.000 0.118 0.000 1.110 147 F HN -0.002 nan 8.300 nan 0.000 0.570 148 S N 5.875 121.425 115.700 -0.250 0.000 2.552 148 S HA 0.498 4.968 4.470 0.001 0.000 0.272 148 S C -1.353 173.121 174.600 -0.210 0.000 1.150 148 S CA -1.268 56.882 58.200 -0.082 0.000 0.849 148 S CB 0.870 64.099 63.200 0.047 0.000 1.113 148 S HN 0.717 nan 8.310 nan 0.000 0.458 149 L N 2.708 123.852 121.223 -0.132 0.000 2.360 149 L HA 0.442 4.783 4.340 0.001 0.000 0.276 149 L C -1.621 175.242 176.870 -0.012 0.000 1.121 149 L CA -1.438 53.345 54.840 -0.095 0.000 0.845 149 L CB 0.114 42.088 42.059 -0.143 0.000 1.143 149 L HN 0.599 nan 8.230 nan 0.000 0.452 150 P HA 0.159 nan 4.420 nan 0.000 0.302 150 P C 0.092 177.340 177.300 -0.086 0.000 1.307 150 P CA -0.493 62.557 63.100 -0.082 0.000 0.754 150 P CB 0.804 32.357 31.700 -0.246 0.000 1.298 151 E N -0.341 119.795 120.200 -0.106 0.000 2.204 151 E HA -0.195 4.156 4.350 0.001 0.000 0.195 151 E C 1.619 178.178 176.600 -0.069 0.000 0.990 151 E CA 1.102 57.454 56.400 -0.079 0.000 0.821 151 E CB -0.205 29.454 29.700 -0.068 0.000 0.750 151 E HN 0.447 nan 8.360 nan 0.000 0.477 152 E N 1.168 121.307 120.200 -0.102 0.000 2.114 152 E HA -0.219 4.131 4.350 0.001 0.000 0.199 152 E C 1.405 178.038 176.600 0.054 0.000 1.008 152 E CA 1.864 58.251 56.400 -0.022 0.000 0.810 152 E CB -0.100 29.594 29.700 -0.011 0.000 0.739 152 E HN 0.330 nan 8.360 nan 0.000 0.456 153 D N -1.335 119.104 120.400 0.065 0.000 2.110 153 D HA -0.084 4.557 4.640 0.001 0.000 0.202 153 D C 2.029 178.261 176.300 -0.113 0.000 0.975 153 D CA 1.934 55.967 54.000 0.054 0.000 0.839 153 D CB -0.249 40.614 40.800 0.105 0.000 0.996 153 D HN 0.288 nan 8.370 nan 0.000 0.464 154 T N -1.491 112.975 114.554 -0.147 0.000 2.985 154 T HA 0.028 4.378 4.350 0.001 0.000 0.266 154 T C 1.558 176.211 174.700 -0.078 0.000 1.076 154 T CA 0.589 62.576 62.100 -0.188 0.000 1.135 154 T CB 0.091 68.885 68.868 -0.123 0.000 0.890 154 T HN -0.070 nan 8.240 nan 0.000 0.480 155 K N 0.333 120.705 120.400 -0.046 0.000 2.348 155 K HA 0.403 4.723 4.320 0.001 0.000 0.194 155 K C 1.864 178.459 176.600 -0.008 0.000 1.052 155 K CA 0.168 56.443 56.287 -0.021 0.000 1.004 155 K CB 0.347 32.835 32.500 -0.019 0.000 0.873 155 K HN 0.383 nan 8.250 nan 0.000 0.523 156 L N 0.200 121.421 121.223 -0.003 0.000 2.546 156 L HA 0.116 4.456 4.340 0.001 0.000 0.182 156 L C 2.130 179.017 176.870 0.028 0.000 1.167 156 L CA 0.294 55.143 54.840 0.016 0.000 0.845 156 L CB -0.392 41.682 42.059 0.025 0.000 1.134 156 L HN -0.099 nan 8.230 nan 0.000 0.500 157 K N 0.691 121.122 120.400 0.051 0.000 2.025 157 K HA -0.051 4.270 4.320 0.001 0.000 0.207 157 K C 2.044 178.675 176.600 0.051 0.000 1.049 157 K CA 1.340 57.678 56.287 0.085 0.000 0.933 157 K CB -0.121 32.489 32.500 0.183 0.000 0.714 157 K HN 0.138 nan 8.250 nan 0.000 0.438 158 I N 1.013 121.575 120.570 -0.014 0.000 2.179 158 I HA -0.201 3.970 4.170 0.001 0.000 0.242 158 I C -1.012 175.124 176.117 0.031 0.000 1.088 158 I CA 1.191 62.439 61.300 -0.086 0.000 1.357 158 I CB -0.766 37.048 38.000 -0.309 0.000 1.051 158 I HN 0.075 nan 8.210 nan 0.000 0.409 159 P HA -0.145 nan 4.420 nan 0.000 0.217 159 P C 1.886 179.225 177.300 0.066 0.000 1.150 159 P CA 1.382 64.540 63.100 0.096 0.000 0.832 159 P CB 0.036 31.763 31.700 0.044 0.000 0.787 160 L N -1.461 119.778 121.223 0.026 0.000 2.056 160 L HA -0.140 4.201 4.340 0.001 0.000 0.207 160 L C 2.359 179.199 176.870 -0.049 0.000 1.078 160 L CA 1.282 56.123 54.840 0.003 0.000 0.749 160 L CB -0.746 41.321 42.059 0.014 0.000 0.901 160 L HN -0.067 nan 8.230 nan 0.000 0.433 161 I N -1.110 119.419 120.570 -0.069 0.000 2.226 161 I HA -0.324 3.847 4.170 0.001 0.000 0.245 161 I C 2.645 178.636 176.117 -0.209 0.000 1.100 161 I CA 1.034 62.236 61.300 -0.165 0.000 1.374 161 I CB -0.519 37.396 38.000 -0.141 0.000 1.057 161 I HN 0.306 nan 8.210 nan 0.000 0.413 162 H N 0.706 119.727 119.070 -0.082 0.000 2.319 162 H HA -0.124 4.433 4.556 0.001 0.000 0.299 162 H C 2.450 177.727 175.328 -0.085 0.000 1.092 162 H CA 1.331 57.333 56.048 -0.076 0.000 1.302 162 H CB -0.267 29.466 29.762 -0.048 0.000 1.373 162 H HN 0.204 nan 8.280 nan 0.000 0.497 163 R N 0.579 121.107 120.500 0.047 0.000 2.096 163 R HA -0.114 4.227 4.340 0.001 0.000 0.240 163 R C 2.417 178.677 176.300 -0.066 0.000 1.139 163 R CA 1.173 57.272 56.100 -0.001 0.000 0.952 163 R CB -0.731 29.572 30.300 0.005 0.000 0.854 163 R HN 0.331 nan 8.270 nan 0.000 0.436 164 A N 1.099 123.802 122.820 -0.196 0.000 1.908 164 A HA -0.145 4.176 4.320 0.001 0.000 0.218 164 A C 2.377 179.757 177.584 -0.340 0.000 1.181 164 A CA 1.294 53.047 52.037 -0.473 0.000 0.627 164 A CB -0.580 17.747 19.000 -1.122 0.000 0.818 164 A HN 0.251 nan 8.150 nan 0.000 0.445 165 L N -1.270 119.816 121.223 -0.227 0.000 2.141 165 L HA -0.212 4.128 4.340 0.001 0.000 0.209 165 L C 2.785 179.632 176.870 -0.038 0.000 1.094 165 L CA 1.399 56.167 54.840 -0.120 0.000 0.763 165 L CB -0.652 41.355 42.059 -0.087 0.000 0.908 165 L HN 0.483 nan 8.230 nan 0.000 0.437 166 Q N 0.017 119.808 119.800 -0.015 0.000 2.167 166 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 166 Q C 2.246 178.258 176.000 0.019 0.000 0.970 166 Q CA 1.140 56.948 55.803 0.009 0.000 0.855 166 Q CB -0.010 28.736 28.738 0.014 0.000 0.911 166 Q HN 0.504 nan 8.270 nan 0.000 0.438 167 L N -0.012 121.227 121.223 0.026 0.000 2.418 167 L HA 0.099 4.439 4.340 0.001 0.000 0.218 167 L C 0.764 177.688 176.870 0.090 0.000 1.125 167 L CA -0.438 54.442 54.840 0.066 0.000 0.835 167 L CB -0.062 42.060 42.059 0.105 0.000 0.953 167 L HN 0.026 nan 8.230 nan 0.000 0.454 168 A N -0.319 122.551 122.820 0.083 0.000 2.401 168 A HA 0.447 4.768 4.320 0.001 0.000 0.259 168 A C 1.053 178.679 177.584 0.070 0.000 1.103 168 A CA 0.430 52.537 52.037 0.116 0.000 0.789 168 A CB 0.685 19.754 19.000 0.114 0.000 1.035 168 A HN 0.304 nan 8.150 nan 0.000 0.491 169 Q N 2.598 122.437 119.800 0.064 0.000 2.096 169 Q HA 0.009 4.349 4.340 0.001 0.000 0.197 169 Q C 1.178 177.195 176.000 0.028 0.000 0.964 169 Q CA 1.590 57.414 55.803 0.035 0.000 0.838 169 Q CB -0.398 28.353 28.738 0.022 0.000 0.906 169 Q HN 0.860 nan 8.270 nan 0.000 0.444 170 R N 1.044 121.566 120.500 0.036 0.000 2.459 170 R HA 0.419 4.760 4.340 0.001 0.000 0.281 170 R C -2.428 173.885 176.300 0.021 0.000 1.050 170 R CA -1.984 54.129 56.100 0.022 0.000 1.055 170 R CB 0.486 30.798 30.300 0.020 0.000 1.045 170 R HN 0.229 nan 8.270 nan 0.000 0.495 171 P HA -0.019 nan 4.420 nan 0.000 0.264 171 P C -0.840 176.446 177.300 -0.024 0.000 1.193 171 P CA 0.028 63.119 63.100 -0.016 0.000 0.763 171 P CB 0.532 32.213 31.700 -0.031 0.000 0.810 172 V N 3.343 123.242 119.914 -0.025 0.000 2.472 172 V HA 0.283 4.404 4.120 0.001 0.000 0.290 172 V C 0.330 176.387 176.094 -0.061 0.000 1.037 172 V CA -0.235 62.054 62.300 -0.019 0.000 0.908 172 V CB 1.687 33.501 31.823 -0.014 0.000 0.985 172 V HN 0.461 nan 8.190 nan 0.000 0.454 173 S N 5.625 121.273 115.700 -0.087 0.000 2.442 173 S HA 0.628 5.099 4.470 0.001 0.000 0.297 173 S C -0.378 174.255 174.600 0.055 0.000 1.131 173 S CA -0.507 57.653 58.200 -0.067 0.000 1.092 173 S CB 0.758 63.745 63.200 -0.355 0.000 0.998 173 S HN 0.487 nan 8.310 nan 0.000 0.478 174 L N 3.633 124.884 121.223 0.048 0.000 2.312 174 L HA 0.562 4.903 4.340 0.001 0.000 0.281 174 L C -0.590 176.511 176.870 0.385 0.000 1.070 174 L CA -0.825 54.020 54.840 0.008 0.000 0.805 174 L CB 0.755 42.416 42.059 -0.663 0.000 1.174 174 L HN 0.419 nan 8.230 nan 0.000 0.434 175 L N 3.482 124.994 121.223 0.481 0.000 2.376 175 L HA 0.779 5.119 4.340 0.001 0.000 0.275 175 L C -0.374 176.750 176.870 0.423 0.000 0.987 175 L CA -0.157 54.953 54.840 0.451 0.000 0.828 175 L CB 1.470 43.762 42.059 0.387 0.000 1.249 175 L HN 0.654 nan 8.230 nan 0.000 0.409 176 A N 3.306 126.268 122.820 0.236 0.000 2.312 176 A HA 0.928 5.249 4.320 0.001 0.000 0.328 176 A C -0.641 176.930 177.584 -0.022 0.000 1.158 176 A CA -0.424 51.610 52.037 -0.004 0.000 0.821 176 A CB 1.018 19.724 19.000 -0.491 0.000 1.170 176 A HN 0.736 nan 8.150 nan 0.000 0.490 177 S N 2.426 118.142 115.700 0.027 0.000 2.572 177 S HA 0.702 5.172 4.470 0.001 0.000 0.274 177 S C -3.086 171.586 174.600 0.120 0.000 1.150 177 S CA -0.888 57.338 58.200 0.043 0.000 0.944 177 S CB 2.245 65.476 63.200 0.053 0.000 1.071 177 S HN 0.652 nan 8.310 nan 0.000 0.479 178 P HA 0.330 nan 4.420 nan 0.000 0.287 178 P C 0.009 177.476 177.300 0.278 0.000 1.270 178 P CA -0.702 62.509 63.100 0.186 0.000 0.844 178 P CB 1.222 32.983 31.700 0.102 0.000 1.068 179 W N 0.311 121.626 121.300 0.024 0.000 2.678 179 W HA 0.055 4.715 4.660 0.001 0.000 0.282 179 W C 0.763 177.264 176.519 -0.031 0.000 1.137 179 W CA 0.612 57.982 57.345 0.041 0.000 1.515 179 W CB 0.316 29.845 29.460 0.115 0.000 1.101 179 W HN 0.248 nan 8.180 nan 0.000 0.564 180 T N 0.028 114.664 114.554 0.137 0.000 2.906 180 T HA 0.336 4.686 4.350 0.001 0.000 0.295 180 T C -0.084 174.387 174.700 -0.382 0.000 1.075 180 T CA -0.423 61.592 62.100 -0.142 0.000 1.005 180 T CB 1.585 70.376 68.868 -0.129 0.000 1.136 180 T HN -0.051 nan 8.240 nan 0.000 0.498 181 S N 3.377 118.570 115.700 -0.845 0.000 2.681 181 S HA 0.657 5.127 4.470 0.001 0.000 0.270 181 S C -2.695 171.453 174.600 -0.754 0.000 1.209 181 S CA -1.184 56.243 58.200 -1.288 0.000 0.988 181 S CB 0.275 62.301 63.200 -1.956 0.000 1.006 181 S HN 0.534 nan 8.310 nan 0.000 0.558 182 P HA 0.049 nan 4.420 nan 0.000 0.264 182 P C 1.122 177.999 177.300 -0.704 0.000 1.179 182 P CA 0.242 62.958 63.100 -0.641 0.000 0.763 182 P CB 0.223 31.322 31.700 -1.001 0.000 0.806 183 T N -1.068 113.247 114.554 -0.400 0.000 2.995 183 T HA -0.111 4.240 4.350 0.001 0.000 0.269 183 T C 1.281 175.858 174.700 -0.203 0.000 1.091 183 T CA 0.491 62.428 62.100 -0.272 0.000 1.128 183 T CB -0.689 68.109 68.868 -0.116 0.000 0.891 183 T HN 0.570 nan 8.240 nan 0.000 0.492 184 W N 1.019 122.248 121.300 -0.118 0.000 2.937 184 W HA 0.315 4.976 4.660 0.001 0.000 0.245 184 W C 0.786 177.265 176.519 -0.066 0.000 1.306 184 W CA -0.421 56.874 57.345 -0.083 0.000 1.470 184 W CB -0.823 28.584 29.460 -0.088 0.000 1.132 184 W HN 0.263 nan 8.180 nan 0.000 0.675 185 L N 0.743 121.677 121.223 -0.481 0.000 2.567 185 L HA 0.186 4.527 4.340 0.001 0.000 0.225 185 L C 0.722 177.339 176.870 -0.422 0.000 1.119 185 L CA 0.647 55.254 54.840 -0.389 0.000 0.871 185 L CB -0.253 41.425 42.059 -0.636 0.000 1.036 185 L HN -0.267 nan 8.230 nan 0.000 0.459 186 K N -0.467 119.709 120.400 -0.375 0.000 2.164 186 K HA 0.211 4.532 4.320 0.001 0.000 0.258 186 K C 1.242 177.680 176.600 -0.271 0.000 0.951 186 K CA -0.014 56.051 56.287 -0.370 0.000 0.844 186 K CB 1.832 34.120 32.500 -0.353 0.000 1.099 186 K HN -0.067 nan 8.250 nan 0.000 0.435 187 T N -1.266 113.126 114.554 -0.270 0.000 2.778 187 T HA -0.197 4.153 4.350 0.001 0.000 0.269 187 T C 1.142 175.758 174.700 -0.139 0.000 1.050 187 T CA 1.696 63.678 62.100 -0.197 0.000 1.137 187 T CB -0.243 68.518 68.868 -0.179 0.000 0.860 187 T HN 0.688 nan 8.240 nan 0.000 0.468 188 N N 1.040 119.656 118.700 -0.139 0.000 2.205 188 N HA 0.194 4.935 4.740 0.001 0.000 0.201 188 N C 1.477 176.939 175.510 -0.079 0.000 1.128 188 N CA 0.522 53.514 53.050 -0.096 0.000 0.867 188 N CB -0.364 38.068 38.487 -0.091 0.000 0.996 188 N HN 0.636 nan 8.380 nan 0.000 0.503 189 G N -0.157 108.587 108.800 -0.093 0.000 2.258 189 G HA2 -0.081 3.880 3.960 0.001 0.000 0.274 189 G HA3 -0.081 3.880 3.960 0.001 0.000 0.274 189 G C 0.064 174.928 174.900 -0.060 0.000 1.021 189 G CA 0.602 45.665 45.100 -0.063 0.000 0.798 189 G HN 0.919 nan 8.290 nan 0.000 0.507 190 A N -1.774 120.996 122.820 -0.083 0.000 2.556 190 A HA 0.862 5.183 4.320 0.001 0.000 0.294 190 A C 1.159 178.697 177.584 -0.076 0.000 1.091 190 A CA 0.306 52.308 52.037 -0.058 0.000 0.704 190 A CB 1.061 20.047 19.000 -0.023 0.000 1.300 190 A HN 1.481 nan 8.150 nan 0.000 0.406 191 V N -0.788 119.096 119.914 -0.051 0.000 2.626 191 V HA 0.033 4.154 4.120 0.001 0.000 0.252 191 V C 0.695 176.804 176.094 0.026 0.000 1.067 191 V CA 1.820 64.090 62.300 -0.051 0.000 1.081 191 V CB -1.530 30.258 31.823 -0.059 0.000 0.686 191 V HN 0.949 nan 8.190 nan 0.000 0.468 192 N N 0.381 119.126 118.700 0.076 0.000 3.100 192 N HA 0.649 5.390 4.740 0.001 0.000 0.344 192 N C 0.353 175.889 175.510 0.043 0.000 1.413 192 N CA 0.214 53.331 53.050 0.112 0.000 0.752 192 N CB 0.840 39.451 38.487 0.208 0.000 1.519 192 N HN 0.950 nan 8.380 nan 0.000 0.620 193 G N -0.544 108.288 108.800 0.054 0.000 2.828 193 G HA2 -0.184 3.777 3.960 0.001 0.000 0.463 193 G HA3 -0.184 3.777 3.960 0.001 0.000 0.463 193 G C -0.948 173.945 174.900 -0.012 0.000 1.394 193 G CA -0.164 44.947 45.100 0.018 0.000 0.862 193 G HN 0.901 nan 8.290 nan 0.000 0.540 194 K N 0.444 120.827 120.400 -0.029 0.000 2.349 194 K HA 0.577 4.898 4.320 0.001 0.000 0.288 194 K C 0.561 177.102 176.600 -0.097 0.000 1.058 194 K CA 0.429 56.679 56.287 -0.062 0.000 0.953 194 K CB 0.148 32.619 32.500 -0.048 0.000 0.997 194 K HN 1.860 nan 8.250 nan 0.000 0.477 195 G N 1.499 110.214 108.800 -0.142 0.000 2.411 195 G HA2 0.313 4.273 3.960 0.001 0.000 0.295 195 G HA3 0.313 4.273 3.960 0.001 0.000 0.295 195 G C -1.451 173.290 174.900 -0.265 0.000 1.542 195 G CA -0.470 44.521 45.100 -0.183 0.000 0.814 195 G HN 0.687 nan 8.290 nan 0.000 0.557 196 S N -0.402 115.116 115.700 -0.304 0.000 2.806 196 S HA 0.807 5.278 4.470 0.001 0.000 0.306 196 S C -0.197 174.122 174.600 -0.467 0.000 1.167 196 S CA -0.954 56.986 58.200 -0.433 0.000 0.847 196 S CB 1.024 64.024 63.200 -0.334 0.000 1.216 196 S HN 0.822 nan 8.310 nan 0.000 0.532 197 L N 1.579 122.454 121.223 -0.580 0.000 2.485 197 L HA 0.257 4.597 4.340 0.001 0.000 0.275 197 L C 0.666 177.317 176.870 -0.365 0.000 1.207 197 L CA -0.179 54.322 54.840 -0.564 0.000 0.855 197 L CB 0.185 41.763 42.059 -0.801 0.000 1.114 197 L HN 0.684 nan 8.230 nan 0.000 0.485 198 K N 1.682 121.773 120.400 -0.516 0.000 2.276 198 K HA 0.393 4.713 4.320 0.001 0.000 0.259 198 K C 0.698 177.120 176.600 -0.297 0.000 1.001 198 K CA 0.590 56.532 56.287 -0.575 0.000 0.927 198 K CB 0.533 32.318 32.500 -1.191 0.000 0.969 198 K HN 0.824 nan 8.250 nan 0.000 0.490 199 G N 0.712 109.451 108.800 -0.102 0.000 2.525 199 G HA2 -0.280 3.681 3.960 0.001 0.000 0.248 199 G HA3 -0.280 3.681 3.960 0.001 0.000 0.248 199 G C -1.132 173.819 174.900 0.084 0.000 1.238 199 G CA 0.177 45.362 45.100 0.141 0.000 0.926 199 G HN 0.731 nan 8.290 nan 0.000 0.574 200 Q N -1.126 118.674 119.800 -0.001 0.000 2.416 200 Q HA 0.681 5.022 4.340 0.001 0.000 0.281 200 Q C -3.183 172.419 176.000 -0.665 0.000 1.067 200 Q CA -2.074 53.545 55.803 -0.308 0.000 0.809 200 Q CB 2.571 31.198 28.738 -0.185 0.000 1.418 200 Q HN 0.448 nan 8.270 nan 0.000 0.411 201 P HA 0.016 nan 4.420 nan 0.000 0.264 201 P C 0.563 177.777 177.300 -0.143 0.000 1.179 201 P CA 2.137 64.950 63.100 -0.478 0.000 0.763 201 P CB 0.399 32.076 31.700 -0.038 0.000 0.806 202 G N 1.190 110.005 108.800 0.026 0.000 2.213 202 G HA2 -0.172 3.789 3.960 0.001 0.000 0.226 202 G HA3 -0.172 3.789 3.960 0.001 0.000 0.226 202 G C 0.060 175.009 174.900 0.081 0.000 0.992 202 G CA 0.281 45.412 45.100 0.051 0.000 0.632 202 G HN 0.710 nan 8.290 nan 0.000 0.511 203 D N -0.207 120.268 120.400 0.124 0.000 2.529 203 D HA 0.524 5.165 4.640 0.001 0.000 0.273 203 D C 1.730 178.135 176.300 0.176 0.000 1.197 203 D CA -0.538 53.543 54.000 0.135 0.000 1.070 203 D CB 0.355 41.245 40.800 0.149 0.000 1.134 203 D HN 0.238 nan 8.370 nan 0.000 0.590 204 I N -0.669 119.916 120.570 0.026 0.000 2.361 204 I HA -0.277 3.893 4.170 0.001 0.000 0.251 204 I C 1.473 177.657 176.117 0.112 0.000 1.133 204 I CA 1.055 62.324 61.300 -0.052 0.000 1.413 204 I CB -0.083 37.688 38.000 -0.382 0.000 1.073 204 I HN 0.335 nan 8.210 nan 0.000 0.424 205 Y N 0.025 120.497 120.300 0.288 0.000 2.181 205 Y HA -0.288 4.263 4.550 0.001 0.000 0.288 205 Y C 2.510 178.566 175.900 0.260 0.000 1.146 205 Y CA 1.962 60.251 58.100 0.316 0.000 1.164 205 Y CB -0.757 37.817 38.460 0.190 0.000 0.982 205 Y HN 0.266 nan 8.280 nan 0.000 0.515 206 H N -0.903 118.419 119.070 0.419 0.000 2.372 206 H HA -0.121 4.436 4.556 0.001 0.000 0.301 206 H C 2.224 177.847 175.328 0.491 0.000 1.065 206 H CA 1.462 57.791 56.048 0.467 0.000 1.364 206 H CB -0.249 29.785 29.762 0.453 0.000 1.406 206 H HN 0.331 nan 8.280 nan 0.000 0.521 207 Q N 0.358 120.425 119.800 0.445 0.000 2.045 207 Q HA -0.197 4.144 4.340 0.001 0.000 0.206 207 Q C 1.628 177.829 176.000 0.335 0.000 0.991 207 Q CA 2.341 58.331 55.803 0.311 0.000 0.851 207 Q CB -0.107 28.757 28.738 0.210 0.000 0.911 207 Q HN 0.415 nan 8.270 nan 0.000 0.418 208 T N 0.490 115.281 114.554 0.394 0.000 2.708 208 T HA -0.199 4.152 4.350 0.001 0.000 0.266 208 T C 1.113 176.108 174.700 0.492 0.000 1.037 208 T CA 1.304 63.670 62.100 0.442 0.000 1.146 208 T CB -0.609 68.592 68.868 0.556 0.000 0.865 208 T HN 0.523 nan 8.240 nan 0.000 0.435 209 W N 1.620 123.070 121.300 0.250 0.000 2.338 209 W HA -0.165 4.496 4.660 0.001 0.000 0.304 209 W C 2.547 179.365 176.519 0.498 0.000 1.212 209 W CA 0.914 58.399 57.345 0.233 0.000 1.264 209 W CB -0.213 29.266 29.460 0.032 0.000 1.142 209 W HN 0.296 nan 8.180 nan 0.000 0.512 210 A N 0.905 123.975 122.820 0.418 0.000 1.902 210 A HA -0.200 4.121 4.320 0.001 0.000 0.217 210 A C 1.951 179.622 177.584 0.144 0.000 1.181 210 A CA 1.623 53.742 52.037 0.137 0.000 0.623 210 A CB -0.912 18.090 19.000 0.003 0.000 0.818 210 A HN 0.344 nan 8.150 nan 0.000 0.443 211 R N -2.245 118.375 120.500 0.201 0.000 2.096 211 R HA -0.166 4.175 4.340 0.001 0.000 0.235 211 R C 2.058 178.456 176.300 0.163 0.000 1.127 211 R CA 1.602 57.799 56.100 0.161 0.000 0.968 211 R CB -0.500 29.904 30.300 0.173 0.000 0.861 211 R HN 0.731 nan 8.270 nan 0.000 0.440 212 Y N 0.380 120.744 120.300 0.106 0.000 2.151 212 Y HA -0.298 4.253 4.550 0.001 0.000 0.284 212 Y C 1.747 177.621 175.900 -0.043 0.000 1.166 212 Y CA 1.627 59.773 58.100 0.077 0.000 1.163 212 Y CB -0.202 38.359 38.460 0.167 0.000 0.974 212 Y HN -0.077 nan 8.280 nan 0.000 0.511 213 F N -1.116 118.811 119.950 -0.038 0.000 2.134 213 F HA -0.256 4.271 4.527 0.001 0.000 0.299 213 F C 2.369 178.098 175.800 -0.118 0.000 1.097 213 F CA 1.614 59.547 58.000 -0.111 0.000 1.264 213 F CB -1.077 37.790 39.000 -0.222 0.000 1.001 213 F HN -0.127 nan 8.300 nan 0.000 0.479 214 V N 0.009 119.956 119.914 0.056 0.000 2.358 214 V HA -0.258 3.862 4.120 0.001 0.000 0.246 214 V C 2.439 178.434 176.094 -0.165 0.000 1.047 214 V CA 1.577 63.856 62.300 -0.034 0.000 1.035 214 V CB -0.505 31.339 31.823 0.035 0.000 0.658 214 V HN 0.232 nan 8.190 nan 0.000 0.452 215 K N -0.539 119.671 120.400 -0.318 0.000 2.063 215 K HA -0.203 4.117 4.320 0.001 0.000 0.208 215 K C 2.101 178.290 176.600 -0.686 0.000 1.048 215 K CA 1.808 57.670 56.287 -0.709 0.000 0.928 215 K CB -0.567 31.079 32.500 -1.423 0.000 0.713 215 K HN 0.526 nan 8.250 nan 0.000 0.442 216 F N 2.109 121.718 119.950 -0.569 0.000 2.075 216 F HA -0.165 4.362 4.527 0.001 0.000 0.297 216 F C 2.000 177.683 175.800 -0.194 0.000 1.113 216 F CA 1.249 59.121 58.000 -0.214 0.000 1.218 216 F CB -0.441 38.438 39.000 -0.202 0.000 0.984 216 F HN -0.140 nan 8.300 nan 0.000 0.472 217 L N 0.164 121.140 121.223 -0.411 0.000 2.042 217 L HA -0.239 4.102 4.340 0.001 0.000 0.210 217 L C 2.248 178.894 176.870 -0.374 0.000 1.076 217 L CA 1.520 56.003 54.840 -0.595 0.000 0.749 217 L CB -1.032 40.487 42.059 -0.900 0.000 0.893 217 L HN 0.105 nan 8.230 nan 0.000 0.432 218 D N 0.356 120.635 120.400 -0.201 0.000 2.104 218 D HA -0.191 4.450 4.640 0.001 0.000 0.194 218 D C 2.251 178.553 176.300 0.003 0.000 0.994 218 D CA 1.678 55.705 54.000 0.045 0.000 0.830 218 D CB -0.121 40.687 40.800 0.014 0.000 0.959 218 D HN 0.344 nan 8.370 nan 0.000 0.452 219 A N -0.071 122.715 122.820 -0.057 0.000 1.902 219 A HA -0.202 4.119 4.320 0.001 0.000 0.217 219 A C 2.120 179.753 177.584 0.081 0.000 1.181 219 A CA 1.108 53.166 52.037 0.035 0.000 0.623 219 A CB -1.037 18.012 19.000 0.081 0.000 0.818 219 A HN 0.219 nan 8.150 nan 0.000 0.443 220 Y N -0.061 120.117 120.300 -0.204 0.000 2.224 220 Y HA -0.082 4.469 4.550 0.001 0.000 0.289 220 Y C 2.876 178.795 175.900 0.032 0.000 1.146 220 Y CA 0.848 58.879 58.100 -0.115 0.000 1.182 220 Y CB -0.456 37.869 38.460 -0.225 0.000 0.983 220 Y HN 0.336 nan 8.280 nan 0.000 0.524 221 A N -0.015 122.890 122.820 0.143 0.000 1.930 221 A HA -0.189 4.132 4.320 0.001 0.000 0.217 221 A C 2.013 179.639 177.584 0.070 0.000 1.175 221 A CA 1.625 53.739 52.037 0.128 0.000 0.627 221 A CB -0.573 18.536 19.000 0.181 0.000 0.815 221 A HN 0.520 nan 8.150 nan 0.000 0.443 222 E N -0.707 119.518 120.200 0.041 0.000 2.267 222 E HA -0.175 4.175 4.350 0.001 0.000 0.197 222 E C 0.724 177.220 176.600 -0.175 0.000 0.998 222 E CA 0.971 57.332 56.400 -0.065 0.000 0.830 222 E CB -0.211 29.430 29.700 -0.098 0.000 0.751 222 E HN 0.736 nan 8.360 nan 0.000 0.491 223 H N 0.168 119.212 119.070 -0.043 0.000 2.507 223 H HA 0.141 4.698 4.556 0.001 0.000 0.294 223 H C -0.043 175.344 175.328 0.098 0.000 1.064 223 H CA 0.049 56.085 56.048 -0.019 0.000 1.138 223 H CB 0.474 30.163 29.762 -0.123 0.000 1.515 223 H HN -0.021 nan 8.280 nan 0.000 0.547 224 K N 0.226 120.702 120.400 0.127 0.000 3.069 224 K HA -0.177 4.144 4.320 0.001 0.000 0.267 224 K C -0.401 176.278 176.600 0.132 0.000 1.082 224 K CA 0.384 56.749 56.287 0.130 0.000 0.782 224 K CB -2.112 30.462 32.500 0.123 0.000 1.230 224 K HN 0.397 nan 8.250 nan 0.000 0.488 225 L N 0.604 121.875 121.223 0.080 0.000 2.341 225 L HA 0.371 4.712 4.340 0.001 0.000 0.278 225 L C 0.353 177.238 176.870 0.024 0.000 1.005 225 L CA -0.594 54.234 54.840 -0.020 0.000 0.818 225 L CB 1.978 44.008 42.059 -0.049 0.000 1.259 225 L HN 0.168 nan 8.230 nan 0.000 0.418 226 Q N 2.273 122.030 119.800 -0.072 0.000 2.377 226 Q HA 0.544 4.885 4.340 0.001 0.000 0.271 226 Q C -1.756 174.136 176.000 -0.180 0.000 1.077 226 Q CA -0.643 55.161 55.803 0.001 0.000 0.820 226 Q CB 2.176 30.936 28.738 0.035 0.000 1.347 226 Q HN 0.412 nan 8.270 nan 0.000 0.444 227 F N 1.946 121.924 119.950 0.047 0.000 2.421 227 F HA 0.267 4.794 4.527 0.001 0.000 0.337 227 F C 0.546 176.405 175.800 0.099 0.000 1.105 227 F CA -0.609 57.431 58.000 0.066 0.000 1.049 227 F CB 0.834 39.850 39.000 0.027 0.000 1.139 227 F HN 0.793 nan 8.300 nan 0.000 0.479 228 W N 3.736 125.066 121.300 0.049 0.000 2.407 228 W HA 0.347 5.008 4.660 0.001 0.000 0.305 228 W C -0.166 176.359 176.519 0.011 0.000 1.196 228 W CA 1.213 58.557 57.345 -0.002 0.000 1.311 228 W CB -0.041 29.385 29.460 -0.057 0.000 1.135 228 W HN 0.436 nan 8.180 nan 0.000 0.514 229 A N 0.204 122.830 122.820 -0.322 0.000 2.594 229 A HA 0.581 4.901 4.320 0.001 0.000 0.295 229 A C -1.239 176.208 177.584 -0.228 0.000 1.071 229 A CA -0.233 51.421 52.037 -0.638 0.000 0.685 229 A CB 0.938 19.001 19.000 -1.562 0.000 1.285 229 A HN 0.532 nan 8.150 nan 0.000 0.405 230 V N -0.945 118.844 119.914 -0.209 0.000 2.864 230 V HA 0.944 5.064 4.120 0.001 0.000 0.314 230 V C 0.128 176.160 176.094 -0.105 0.000 1.073 230 V CA -0.033 62.210 62.300 -0.095 0.000 0.956 230 V CB 1.331 33.158 31.823 0.006 0.000 1.023 230 V HN 1.492 nan 8.190 nan 0.000 0.435 231 T N -0.034 114.499 114.554 -0.035 0.000 2.934 231 T HA 0.715 5.066 4.350 0.001 0.000 0.283 231 T C 0.986 175.700 174.700 0.024 0.000 1.005 231 T CA -0.057 62.017 62.100 -0.043 0.000 1.041 231 T CB 1.680 70.517 68.868 -0.052 0.000 1.042 231 T HN 1.498 nan 8.240 nan 0.000 0.505 232 A N 0.491 123.280 122.820 -0.051 0.000 2.167 232 A HA 0.396 4.716 4.320 0.001 0.000 0.214 232 A C 0.751 178.355 177.584 0.033 0.000 1.151 232 A CA 0.797 52.801 52.037 -0.056 0.000 0.735 232 A CB -0.683 18.221 19.000 -0.159 0.000 0.802 232 A HN 0.983 nan 8.150 nan 0.000 0.467 233 E N -1.476 118.701 120.200 -0.038 0.000 2.745 233 E HA 0.168 4.519 4.350 0.001 0.000 0.306 233 E C -1.350 175.119 176.600 -0.218 0.000 1.090 233 E CA -0.433 55.936 56.400 -0.051 0.000 0.893 233 E CB -0.047 29.579 29.700 -0.123 0.000 1.205 233 E HN 0.149 nan 8.360 nan 0.000 0.438 234 N N 3.023 121.499 118.700 -0.374 0.000 2.475 234 N HA 0.122 4.862 4.740 0.001 0.000 0.267 234 N C -0.771 174.414 175.510 -0.543 0.000 1.169 234 N CA 0.669 53.327 53.050 -0.652 0.000 0.947 234 N CB 0.376 37.930 38.487 -1.555 0.000 1.061 234 N HN 0.582 nan 8.380 nan 0.000 0.466 235 E N 1.796 121.698 120.200 -0.496 0.000 2.197 235 E HA -0.191 4.159 4.350 0.001 0.000 0.184 235 E C -1.646 174.734 176.600 -0.367 0.000 1.439 235 E CA 0.204 56.332 56.400 -0.453 0.000 0.688 235 E CB -0.640 28.835 29.700 -0.375 0.000 1.090 235 E HN 0.707 nan 8.360 nan 0.000 0.341 236 P HA -0.268 nan 4.420 nan 0.000 0.218 236 P C 1.455 178.718 177.300 -0.062 0.000 1.146 236 P CA 1.918 65.000 63.100 -0.031 0.000 0.813 236 P CB 0.064 31.850 31.700 0.143 0.000 0.778 237 S N -0.168 115.425 115.700 -0.178 0.000 2.447 237 S HA -0.026 4.444 4.470 0.001 0.000 0.233 237 S C 2.223 176.676 174.600 -0.245 0.000 1.006 237 S CA 0.888 59.012 58.200 -0.127 0.000 0.957 237 S CB -1.200 61.916 63.200 -0.139 0.000 0.773 237 S HN 0.156 nan 8.310 nan 0.000 0.507 238 A N 1.933 124.479 122.820 -0.457 0.000 1.902 238 A HA 0.189 4.510 4.320 0.001 0.000 0.217 238 A C 2.324 179.481 177.584 -0.712 0.000 1.181 238 A CA 1.454 52.951 52.037 -0.899 0.000 0.623 238 A CB -1.634 16.413 19.000 -1.587 0.000 0.818 238 A HN 0.690 nan 8.150 nan 0.000 0.443 239 G N -0.798 107.727 108.800 -0.458 0.000 2.776 239 G HA2 0.150 4.111 3.960 0.001 0.000 0.209 239 G HA3 0.150 4.111 3.960 0.001 0.000 0.209 239 G C 1.120 175.906 174.900 -0.190 0.000 1.145 239 G CA 0.439 45.362 45.100 -0.295 0.000 0.791 239 G HN 0.452 nan 8.290 nan 0.000 0.530 240 L N -0.249 120.880 121.223 -0.157 0.000 2.591 240 L HA 0.324 4.665 4.340 0.001 0.000 0.228 240 L C 0.288 177.123 176.870 -0.059 0.000 1.133 240 L CA -0.277 54.515 54.840 -0.080 0.000 0.880 240 L CB 0.082 42.125 42.059 -0.027 0.000 1.033 240 L HN 0.111 nan 8.230 nan 0.000 0.450 241 L N -0.004 121.180 121.223 -0.064 0.000 2.313 241 L HA 0.342 4.683 4.340 0.001 0.000 0.283 241 L C 0.455 177.342 176.870 0.028 0.000 1.013 241 L CA -0.370 54.471 54.840 0.002 0.000 0.816 241 L CB 1.644 43.738 42.059 0.057 0.000 1.236 241 L HN -0.061 nan 8.230 nan 0.000 0.419 242 S N 4.221 119.929 115.700 0.013 0.000 2.537 242 S HA 0.425 4.896 4.470 0.001 0.000 0.286 242 S C 1.197 175.802 174.600 0.009 0.000 1.299 242 S CA 0.365 58.567 58.200 0.003 0.000 1.067 242 S CB 0.001 63.197 63.200 -0.006 0.000 0.864 242 S HN 1.872 nan 8.310 nan 0.000 0.494 243 G N 2.937 111.737 108.800 -0.000 0.000 2.168 243 G HA2 -0.320 3.641 3.960 0.001 0.000 0.257 243 G HA3 -0.320 3.641 3.960 0.001 0.000 0.257 243 G C -0.038 174.841 174.900 -0.034 0.000 0.997 243 G CA 0.447 45.536 45.100 -0.019 0.000 0.708 243 G HN 1.128 nan 8.290 nan 0.000 0.520 244 Y N 1.488 121.717 120.300 -0.118 0.000 2.805 244 Y HA 0.241 4.792 4.550 0.001 0.000 0.331 244 Y C -0.285 175.502 175.900 -0.190 0.000 1.241 244 Y CA -0.324 57.665 58.100 -0.185 0.000 1.546 244 Y CB 0.949 39.267 38.460 -0.237 0.000 1.248 244 Y HN 0.101 nan 8.280 nan 0.000 0.559 245 P HA -0.042 nan 4.420 nan 0.000 0.227 245 P C -0.601 176.603 177.300 -0.160 0.000 1.161 245 P CA 1.006 63.894 63.100 -0.354 0.000 0.788 245 P CB 0.007 31.500 31.700 -0.345 0.000 0.822 246 F N -2.365 117.480 119.950 -0.175 0.000 2.782 246 F HA 0.700 5.228 4.527 0.001 0.000 0.366 246 F C -0.212 175.799 175.800 0.352 0.000 1.171 246 F CA -2.048 56.002 58.000 0.083 0.000 1.064 246 F CB -0.321 38.642 39.000 -0.061 0.000 1.449 246 F HN -0.485 nan 8.300 nan 0.000 0.520 247 Q N 0.938 121.171 119.800 0.722 0.000 2.283 247 Q HA 0.393 4.734 4.340 0.001 0.000 0.301 247 Q C -0.309 175.914 176.000 0.372 0.000 1.063 247 Q CA 0.691 56.770 55.803 0.461 0.000 0.952 247 Q CB 0.363 29.353 28.738 0.420 0.000 1.166 247 Q HN 0.873 nan 8.270 nan 0.000 0.381 248 C N 0.400 119.769 119.300 0.114 0.000 3.295 248 C HA 0.867 5.328 4.460 0.001 0.000 0.341 248 C C -1.885 173.011 174.990 -0.156 0.000 1.418 248 C CA -1.210 57.761 59.018 -0.078 0.000 1.240 248 C CB 0.807 28.377 27.740 -0.283 0.000 1.562 248 C HN 0.790 nan 8.230 nan 0.000 0.457 249 L N 1.720 122.820 121.223 -0.207 0.000 2.753 249 L HA 0.686 5.026 4.340 0.001 0.000 0.259 249 L C 0.060 176.779 176.870 -0.251 0.000 0.958 249 L CA 0.531 55.205 54.840 -0.276 0.000 0.955 249 L CB 1.091 42.991 42.059 -0.265 0.000 1.317 249 L HN 1.461 nan 8.230 nan 0.000 0.436 250 G N 3.185 111.779 108.800 -0.344 0.000 2.390 250 G HA2 0.539 4.500 3.960 0.001 0.000 0.270 250 G HA3 0.539 4.500 3.960 0.001 0.000 0.270 250 G C -1.221 173.449 174.900 -0.383 0.000 1.211 250 G CA -0.074 44.885 45.100 -0.235 0.000 0.842 250 G HN 0.356 nan 8.290 nan 0.000 0.519 251 F N 0.407 120.314 119.950 -0.072 0.000 2.561 251 F HA 0.383 4.911 4.527 0.001 0.000 0.313 251 F C 0.956 176.827 175.800 0.119 0.000 1.126 251 F CA -0.780 57.190 58.000 -0.050 0.000 0.918 251 F CB 2.234 41.175 39.000 -0.097 0.000 1.199 251 F HN 0.645 nan 8.300 nan 0.000 0.444 252 T N -0.075 114.613 114.554 0.223 0.000 2.766 252 T HA 0.183 4.534 4.350 0.001 0.000 0.295 252 T C -1.795 172.713 174.700 -0.321 0.000 1.024 252 T CA -1.393 60.737 62.100 0.049 0.000 1.018 252 T CB 1.005 69.880 68.868 0.011 0.000 1.002 252 T HN 0.371 nan 8.240 nan 0.000 0.532 253 P HA -0.065 nan 4.420 nan 0.000 0.218 253 P C 0.992 177.943 177.300 -0.581 0.000 1.149 253 P CA 1.104 63.328 63.100 -1.459 0.000 0.817 253 P CB 0.101 30.739 31.700 -1.769 0.000 0.785 254 E N -1.268 118.744 120.200 -0.312 0.000 2.106 254 E HA -0.171 4.180 4.350 0.001 0.000 0.192 254 E C 2.212 178.818 176.600 0.011 0.000 0.984 254 E CA 0.931 57.248 56.400 -0.138 0.000 0.806 254 E CB -1.111 28.533 29.700 -0.094 0.000 0.750 254 E HN 0.505 nan 8.360 nan 0.000 0.458 255 H N -0.011 119.037 119.070 -0.036 0.000 2.321 255 H HA -0.127 4.429 4.556 0.001 0.000 0.300 255 H C 2.245 177.729 175.328 0.259 0.000 1.087 255 H CA 1.455 57.576 56.048 0.122 0.000 1.319 255 H CB 0.293 30.145 29.762 0.149 0.000 1.379 255 H HN 0.145 nan 8.280 nan 0.000 0.501 256 Q N 0.776 120.722 119.800 0.243 0.000 2.050 256 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 256 Q C 2.587 178.622 176.000 0.058 0.000 0.980 256 Q CA 1.575 57.428 55.803 0.083 0.000 0.840 256 Q CB -0.107 28.610 28.738 -0.035 0.000 0.898 256 Q HN 0.346 nan 8.270 nan 0.000 0.424 257 R N 0.019 120.499 120.500 -0.034 0.000 2.133 257 R HA -0.226 4.114 4.340 0.001 0.000 0.245 257 R C 1.276 177.589 176.300 0.022 0.000 1.137 257 R CA 2.277 58.352 56.100 -0.042 0.000 0.947 257 R CB -0.305 29.941 30.300 -0.091 0.000 0.865 257 R HN 0.418 nan 8.270 nan 0.000 0.437 258 D N -0.614 119.836 120.400 0.084 0.000 2.234 258 D HA -0.109 4.532 4.640 0.001 0.000 0.205 258 D C 1.538 177.937 176.300 0.164 0.000 0.962 258 D CA 0.600 54.654 54.000 0.090 0.000 0.855 258 D CB -0.321 40.520 40.800 0.067 0.000 0.951 258 D HN 0.207 nan 8.370 nan 0.000 0.500 259 F N 1.792 121.824 119.950 0.136 0.000 2.102 259 F HA -0.119 4.408 4.527 0.001 0.000 0.298 259 F C 2.056 177.857 175.800 0.002 0.000 1.105 259 F CA 1.091 59.192 58.000 0.168 0.000 1.239 259 F CB -0.454 38.736 39.000 0.316 0.000 0.991 259 F HN -0.162 nan 8.300 nan 0.000 0.474 260 I N 0.233 120.636 120.570 -0.278 0.000 2.179 260 I HA -0.303 3.868 4.170 0.001 0.000 0.242 260 I C 2.701 178.636 176.117 -0.304 0.000 1.088 260 I CA 1.246 62.292 61.300 -0.423 0.000 1.357 260 I CB -0.974 36.892 38.000 -0.222 0.000 1.051 260 I HN 0.253 nan 8.210 nan 0.000 0.409 261 A N 0.874 123.636 122.820 -0.097 0.000 1.877 261 A HA -0.198 4.123 4.320 0.001 0.000 0.216 261 A C 2.375 179.935 177.584 -0.040 0.000 1.186 261 A CA 1.738 53.785 52.037 0.017 0.000 0.620 261 A CB -0.458 18.565 19.000 0.039 0.000 0.822 261 A HN 0.360 nan 8.150 nan 0.000 0.443 262 R N -1.512 118.948 120.500 -0.068 0.000 2.206 262 R HA 0.104 4.445 4.340 0.001 0.000 0.198 262 R C 0.813 177.058 176.300 -0.091 0.000 0.986 262 R CA 1.038 57.112 56.100 -0.043 0.000 1.029 262 R CB 0.133 30.439 30.300 0.010 0.000 0.966 262 R HN 0.523 nan 8.270 nan 0.000 0.487 263 D N -0.177 120.111 120.400 -0.187 0.000 3.234 263 D HA -0.030 4.611 4.640 0.001 0.000 0.281 263 D C 1.591 177.624 176.300 -0.445 0.000 1.405 263 D CA 0.089 53.978 54.000 -0.184 0.000 1.115 263 D CB -0.304 40.551 40.800 0.091 0.000 1.198 263 D HN -0.066 nan 8.370 nan 0.000 0.388 264 L N 1.893 122.596 121.223 -0.866 0.000 2.056 264 L HA 0.115 4.456 4.340 0.001 0.000 0.207 264 L C 2.148 178.572 176.870 -0.744 0.000 1.078 264 L CA 2.149 56.434 54.840 -0.925 0.000 0.749 264 L CB -0.893 40.326 42.059 -1.400 0.000 0.901 264 L HN 0.117 nan 8.230 nan 0.000 0.433 265 G N -0.360 107.914 108.800 -0.876 0.000 2.433 265 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 265 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 265 G C -0.639 173.568 174.900 -1.155 0.000 1.186 265 G CA 0.877 45.220 45.100 -1.263 0.000 0.779 265 G HN 0.372 nan 8.290 nan 0.000 0.543 266 P HA -0.021 nan 4.420 nan 0.000 0.217 266 P C 2.004 179.168 177.300 -0.226 0.000 1.150 266 P CA 1.586 64.463 63.100 -0.372 0.000 0.832 266 P CB -0.160 31.413 31.700 -0.212 0.000 0.787 267 T N -0.404 113.999 114.554 -0.252 0.000 2.777 267 T HA -0.079 4.271 4.350 0.001 0.000 0.266 267 T C 1.744 176.381 174.700 -0.105 0.000 1.040 267 T CA 1.088 63.103 62.100 -0.143 0.000 1.141 267 T CB -0.887 67.901 68.868 -0.132 0.000 0.868 267 T HN 0.052 nan 8.240 nan 0.000 0.444 268 L N 0.767 121.889 121.223 -0.167 0.000 2.027 268 L HA -0.036 4.305 4.340 0.001 0.000 0.206 268 L C 3.075 179.945 176.870 0.000 0.000 1.074 268 L CA 1.170 55.962 54.840 -0.081 0.000 0.745 268 L CB -0.689 41.286 42.059 -0.140 0.000 0.898 268 L HN 0.229 nan 8.230 nan 0.000 0.433 269 A N 0.080 122.887 122.820 -0.021 0.000 1.940 269 A HA -0.260 4.060 4.320 0.001 0.000 0.219 269 A C 1.954 179.581 177.584 0.072 0.000 1.176 269 A CA 2.228 54.313 52.037 0.080 0.000 0.631 269 A CB -0.684 18.402 19.000 0.144 0.000 0.814 269 A HN 0.467 nan 8.150 nan 0.000 0.446 270 N N -0.415 118.303 118.700 0.030 0.000 2.383 270 N HA 0.017 4.757 4.740 0.001 0.000 0.192 270 N C 0.447 175.983 175.510 0.044 0.000 1.141 270 N CA 0.708 53.776 53.050 0.030 0.000 0.851 270 N CB -0.096 38.395 38.487 0.008 0.000 0.976 270 N HN 0.538 nan 8.380 nan 0.000 0.465 271 S N -2.302 113.437 115.700 0.064 0.000 2.745 271 S HA 0.210 4.681 4.470 0.001 0.000 0.292 271 S C 1.374 175.976 174.600 0.003 0.000 1.133 271 S CA -0.157 58.070 58.200 0.045 0.000 0.998 271 S CB 0.808 64.072 63.200 0.106 0.000 1.087 271 S HN 0.235 nan 8.310 nan 0.000 0.551 272 T N -1.826 112.625 114.554 -0.171 0.000 3.098 272 T HA -0.050 4.301 4.350 0.001 0.000 0.266 272 T C 0.645 175.048 174.700 -0.495 0.000 1.145 272 T CA 0.856 62.772 62.100 -0.306 0.000 1.092 272 T CB -0.788 67.847 68.868 -0.389 0.000 0.908 272 T HN 0.769 nan 8.240 nan 0.000 0.526 273 H N 1.002 120.001 119.070 -0.119 0.000 2.507 273 H HA 0.159 4.716 4.556 0.001 0.000 0.294 273 H C 1.721 176.954 175.328 -0.158 0.000 1.064 273 H CA 0.212 56.170 56.048 -0.151 0.000 1.138 273 H CB -0.422 29.303 29.762 -0.061 0.000 1.515 273 H HN 0.758 nan 8.280 nan 0.000 0.547 274 H N -0.217 118.875 119.070 0.037 0.000 2.518 274 H HA -0.057 4.499 4.556 0.001 0.000 0.292 274 H C 0.561 175.895 175.328 0.010 0.000 1.068 274 H CA 0.650 56.709 56.048 0.018 0.000 1.275 274 H CB 0.155 29.919 29.762 0.004 0.000 1.375 274 H HN 0.159 nan 8.280 nan 0.000 0.563 275 N N 1.180 119.816 118.700 -0.105 0.000 2.422 275 N HA 0.027 4.768 4.740 0.001 0.000 0.181 275 N C 0.182 175.670 175.510 -0.037 0.000 1.080 275 N CA 0.111 53.163 53.050 0.003 0.000 0.893 275 N CB 0.532 39.001 38.487 -0.031 0.000 0.973 275 N HN 0.096 nan 8.380 nan 0.000 0.456 276 V N 3.712 123.603 119.914 -0.039 0.000 2.493 276 V HA -0.025 4.095 4.120 0.001 0.000 0.292 276 V C 0.765 176.753 176.094 -0.177 0.000 1.016 276 V CA -0.149 62.106 62.300 -0.076 0.000 1.097 276 V CB 0.138 31.952 31.823 -0.015 0.000 0.947 276 V HN 0.095 nan 8.190 nan 0.000 0.479 277 R N 3.666 123.950 120.500 -0.360 0.000 2.594 277 R HA 0.366 4.707 4.340 0.001 0.000 0.272 277 R C -0.419 175.685 176.300 -0.326 0.000 1.074 277 R CA -0.781 55.063 56.100 -0.426 0.000 1.105 277 R CB 0.275 30.092 30.300 -0.804 0.000 1.008 277 R HN 0.523 nan 8.270 nan 0.000 0.472 278 L N 3.450 124.558 121.223 -0.192 0.000 2.287 278 L HA 0.410 4.750 4.340 0.001 0.000 0.287 278 L C -0.976 175.816 176.870 -0.130 0.000 1.022 278 L CA -0.224 54.514 54.840 -0.171 0.000 0.814 278 L CB 0.975 42.945 42.059 -0.147 0.000 1.217 278 L HN 0.442 nan 8.230 nan 0.000 0.420 279 L N 6.036 127.167 121.223 -0.155 0.000 2.317 279 L HA 0.560 4.901 4.340 0.001 0.000 0.281 279 L C 0.354 177.168 176.870 -0.093 0.000 1.024 279 L CA -0.673 54.103 54.840 -0.107 0.000 0.810 279 L CB 1.585 43.580 42.059 -0.108 0.000 1.240 279 L HN 0.759 nan 8.230 nan 0.000 0.427 280 M N 2.011 121.569 119.600 -0.070 0.000 2.369 280 M HA 0.511 4.992 4.480 0.001 0.000 0.291 280 M C 0.642 176.901 176.300 -0.068 0.000 1.178 280 M CA -0.308 54.957 55.300 -0.057 0.000 0.996 280 M CB 1.491 34.073 32.600 -0.029 0.000 1.472 280 M HN 0.526 nan 8.290 nan 0.000 0.496 281 L N 0.274 121.463 121.223 -0.056 0.000 3.782 281 L HA -0.357 3.984 4.340 0.001 0.000 0.053 281 L C 0.337 176.983 176.870 -0.372 0.000 4.256 281 L CA 2.997 57.691 54.840 -0.244 0.000 0.725 281 L CB -1.786 40.129 42.059 -0.240 0.000 3.466 281 L HN 1.181 nan 8.230 nan 0.000 0.901 282 D N 0.310 120.510 120.400 -0.333 0.000 2.699 282 D HA -0.091 4.550 4.640 0.001 0.000 0.239 282 D C -0.423 175.311 176.300 -0.943 0.000 1.136 282 D CA 1.410 55.141 54.000 -0.448 0.000 0.668 282 D CB -0.796 39.836 40.800 -0.281 0.000 1.060 282 D HN 0.744 nan 8.370 nan 0.000 0.429 283 D N -0.999 118.888 120.400 -0.855 0.000 2.677 283 D HA 0.177 4.818 4.640 0.001 0.000 0.298 283 D C -0.471 175.556 176.300 -0.456 0.000 1.250 283 D CA -0.420 53.121 54.000 -0.766 0.000 0.888 283 D CB 0.706 41.080 40.800 -0.709 0.000 1.397 283 D HN -0.113 nan 8.370 nan 0.000 0.461 284 Q N 0.712 120.348 119.800 -0.275 0.000 2.349 284 Q HA 0.078 4.419 4.340 0.001 0.000 0.287 284 Q C 1.143 177.055 176.000 -0.145 0.000 1.044 284 Q CA 0.266 56.006 55.803 -0.105 0.000 0.918 284 Q CB 0.401 29.109 28.738 -0.050 0.000 1.242 284 Q HN 0.535 nan 8.270 nan 0.000 0.405 285 R N 1.371 121.825 120.500 -0.076 0.000 2.189 285 R HA -0.153 4.188 4.340 0.001 0.000 0.223 285 R C 1.653 177.913 176.300 -0.066 0.000 1.092 285 R CA 1.320 57.379 56.100 -0.069 0.000 0.989 285 R CB -0.701 29.579 30.300 -0.033 0.000 0.876 285 R HN 0.485 nan 8.270 nan 0.000 0.457 286 L N -0.457 120.718 121.223 -0.079 0.000 2.349 286 L HA -0.000 4.340 4.340 0.001 0.000 0.220 286 L C 1.666 178.515 176.870 -0.036 0.000 1.130 286 L CA 1.413 56.212 54.840 -0.067 0.000 0.791 286 L CB -0.465 41.538 42.059 -0.093 0.000 0.918 286 L HN 0.128 nan 8.230 nan 0.000 0.444 287 L N -0.500 120.673 121.223 -0.083 0.000 2.551 287 L HA 0.118 4.459 4.340 0.001 0.000 0.228 287 L C 0.768 177.696 176.870 0.097 0.000 1.153 287 L CA 0.117 54.923 54.840 -0.057 0.000 0.851 287 L CB -0.198 41.579 42.059 -0.470 0.000 0.959 287 L HN 0.268 nan 8.230 nan 0.000 0.451 288 L N 0.554 121.810 121.223 0.056 0.000 2.334 288 L HA 0.280 4.620 4.340 0.001 0.000 0.275 288 L C -1.390 175.553 176.870 0.122 0.000 1.036 288 L CA -1.511 53.397 54.840 0.113 0.000 0.807 288 L CB 1.426 43.528 42.059 0.072 0.000 1.231 288 L HN -0.214 nan 8.230 nan 0.000 0.438 289 P HA -0.045 nan 4.420 nan 0.000 0.255 289 P C 0.988 178.430 177.300 0.237 0.000 1.248 289 P CA 0.552 63.772 63.100 0.201 0.000 0.807 289 P CB 0.131 31.948 31.700 0.195 0.000 1.150 290 H N -0.378 118.793 119.070 0.168 0.000 2.289 290 H HA -0.180 4.377 4.556 0.001 0.000 0.294 290 H C 1.448 176.877 175.328 0.168 0.000 1.095 290 H CA 2.237 58.380 56.048 0.158 0.000 1.256 290 H CB -0.817 29.039 29.762 0.155 0.000 1.359 290 H HN 0.019 nan 8.280 nan 0.000 0.487 291 W N 0.472 121.723 121.300 -0.081 0.000 2.363 291 W HA -0.034 4.627 4.660 0.001 0.000 0.296 291 W C 2.897 179.297 176.519 -0.199 0.000 1.212 291 W CA 1.963 59.213 57.345 -0.159 0.000 1.260 291 W CB -0.858 28.558 29.460 -0.074 0.000 1.131 291 W HN 0.387 nan 8.180 nan 0.000 0.530 292 A N 0.124 122.980 122.820 0.060 0.000 1.902 292 A HA -0.212 4.109 4.320 0.001 0.000 0.217 292 A C 1.944 179.300 177.584 -0.379 0.000 1.181 292 A CA 1.897 53.817 52.037 -0.195 0.000 0.623 292 A CB -0.591 18.342 19.000 -0.111 0.000 0.818 292 A HN 0.306 nan 8.150 nan 0.000 0.443 293 K N -0.466 119.891 120.400 -0.072 0.000 2.057 293 K HA -0.050 4.271 4.320 0.001 0.000 0.206 293 K C 1.883 178.407 176.600 -0.128 0.000 1.050 293 K CA 1.379 57.690 56.287 0.041 0.000 0.935 293 K CB -0.370 32.205 32.500 0.125 0.000 0.715 293 K HN 0.295 nan 8.250 nan 0.000 0.439 294 V N 1.012 120.761 119.914 -0.275 0.000 2.295 294 V HA -0.221 3.899 4.120 0.001 0.000 0.246 294 V C 2.258 178.212 176.094 -0.233 0.000 1.049 294 V CA 1.579 63.700 62.300 -0.298 0.000 1.024 294 V CB -0.323 31.216 31.823 -0.473 0.000 0.648 294 V HN 0.082 nan 8.190 nan 0.000 0.447 295 V N -0.416 119.350 119.914 -0.247 0.000 2.323 295 V HA -0.128 3.992 4.120 0.001 0.000 0.244 295 V C 2.111 178.083 176.094 -0.203 0.000 1.041 295 V CA 1.637 63.818 62.300 -0.197 0.000 1.025 295 V CB -0.437 31.291 31.823 -0.159 0.000 0.656 295 V HN 0.426 nan 8.190 nan 0.000 0.451 296 L N 0.673 121.701 121.223 -0.324 0.000 2.492 296 L HA -0.019 4.321 4.340 0.001 0.000 0.223 296 L C 2.451 179.219 176.870 -0.169 0.000 1.132 296 L CA 1.326 55.947 54.840 -0.366 0.000 0.850 296 L CB -0.698 40.852 42.059 -0.849 0.000 0.966 296 L HN 0.550 nan 8.230 nan 0.000 0.454 297 T N -4.600 109.903 114.554 -0.086 0.000 3.113 297 T HA -0.065 4.286 4.350 0.001 0.000 0.256 297 T C 0.684 175.374 174.700 -0.017 0.000 1.131 297 T CA -0.147 61.966 62.100 0.022 0.000 1.074 297 T CB -0.221 68.694 68.868 0.077 0.000 0.944 297 T HN 0.050 nan 8.240 nan 0.000 0.516 298 D N 3.024 123.393 120.400 -0.052 0.000 2.365 298 D HA 0.226 4.867 4.640 0.001 0.000 0.237 298 D C -1.330 174.942 176.300 -0.047 0.000 1.190 298 D CA -2.711 51.262 54.000 -0.044 0.000 0.867 298 D CB 1.829 42.599 40.800 -0.051 0.000 1.050 298 D HN 0.057 nan 8.370 nan 0.000 0.491 299 P HA -0.122 nan 4.420 nan 0.000 0.220 299 P C 1.082 178.334 177.300 -0.080 0.000 1.148 299 P CA 0.593 63.658 63.100 -0.057 0.000 0.803 299 P CB 0.446 32.118 31.700 -0.047 0.000 0.782 300 E N -0.263 119.906 120.200 -0.052 0.000 2.106 300 E HA -0.069 4.282 4.350 0.001 0.000 0.192 300 E C 2.293 178.900 176.600 0.012 0.000 0.984 300 E CA 1.204 57.584 56.400 -0.033 0.000 0.806 300 E CB -1.040 28.667 29.700 0.012 0.000 0.750 300 E HN 0.414 nan 8.360 nan 0.000 0.458 301 A N 0.537 123.362 122.820 0.008 0.000 1.903 301 A HA 0.295 4.615 4.320 0.001 0.000 0.213 301 A C 2.495 180.076 177.584 -0.005 0.000 1.185 301 A CA 1.332 53.394 52.037 0.042 0.000 0.628 301 A CB -0.729 18.261 19.000 -0.017 0.000 0.830 301 A HN 0.452 nan 8.150 nan 0.000 0.446 302 A N 1.348 124.124 122.820 -0.074 0.000 1.940 302 A HA -0.218 4.102 4.320 0.001 0.000 0.219 302 A C 2.058 179.568 177.584 -0.124 0.000 1.176 302 A CA 2.016 53.993 52.037 -0.099 0.000 0.631 302 A CB -0.608 18.336 19.000 -0.092 0.000 0.814 302 A HN 0.712 nan 8.150 nan 0.000 0.446 303 K N -1.711 118.553 120.400 -0.227 0.000 2.362 303 K HA -0.114 4.206 4.320 0.001 0.000 0.200 303 K C 1.073 177.444 176.600 -0.381 0.000 1.046 303 K CA 1.529 57.609 56.287 -0.345 0.000 0.952 303 K CB -0.407 31.779 32.500 -0.524 0.000 0.753 303 K HN 0.598 nan 8.250 nan 0.000 0.466 304 Y N 0.941 121.196 120.300 -0.075 0.000 2.462 304 Y HA 0.189 4.740 4.550 0.001 0.000 0.261 304 Y C 0.364 176.213 175.900 -0.085 0.000 1.146 304 Y CA -0.758 57.289 58.100 -0.088 0.000 1.283 304 Y CB 1.043 39.427 38.460 -0.127 0.000 1.090 304 Y HN -0.210 nan 8.280 nan 0.000 0.526 305 V N 0.815 120.755 119.914 0.043 0.000 2.364 305 V HA 0.035 4.156 4.120 0.001 0.000 0.272 305 V C 0.667 176.772 176.094 0.019 0.000 1.036 305 V CA -0.316 61.986 62.300 0.002 0.000 0.880 305 V CB 0.973 32.765 31.823 -0.052 0.000 0.991 305 V HN 0.328 nan 8.190 nan 0.000 0.460 306 H N 4.187 123.217 119.070 -0.067 0.000 2.415 306 H HA 0.382 4.939 4.556 0.001 0.000 0.297 306 H C 0.823 176.134 175.328 -0.030 0.000 1.048 306 H CA 1.226 57.243 56.048 -0.053 0.000 1.365 306 H CB 0.578 30.285 29.762 -0.091 0.000 1.421 306 H HN 0.737 nan 8.280 nan 0.000 0.533 307 G N -0.816 107.929 108.800 -0.090 0.000 2.663 307 G HA2 0.461 4.421 3.960 0.001 0.000 0.299 307 G HA3 0.461 4.421 3.960 0.001 0.000 0.299 307 G C -1.606 173.276 174.900 -0.031 0.000 1.372 307 G CA -0.678 44.364 45.100 -0.097 0.000 0.781 307 G HN 0.143 nan 8.290 nan 0.000 0.491 308 I N 1.040 121.621 120.570 0.018 0.000 2.418 308 I HA 0.561 4.732 4.170 0.001 0.000 0.287 308 I C 0.375 176.536 176.117 0.075 0.000 1.008 308 I CA -0.816 60.495 61.300 0.020 0.000 1.104 308 I CB 2.001 40.012 38.000 0.018 0.000 1.264 308 I HN 0.616 nan 8.210 nan 0.000 0.438 309 A N 6.768 129.615 122.820 0.045 0.000 2.301 309 A HA 0.756 5.077 4.320 0.001 0.000 0.298 309 A C -0.270 177.294 177.584 -0.034 0.000 1.185 309 A CA -0.452 51.642 52.037 0.095 0.000 0.830 309 A CB 0.813 19.889 19.000 0.127 0.000 1.112 309 A HN 0.607 nan 8.150 nan 0.000 0.508 310 V N 0.936 120.850 119.914 -0.000 0.000 2.769 310 V HA 0.677 4.798 4.120 0.001 0.000 0.312 310 V C -0.469 175.678 176.094 0.088 0.000 1.061 310 V CA -0.745 61.528 62.300 -0.046 0.000 0.931 310 V CB 1.215 33.018 31.823 -0.033 0.000 1.010 310 V HN 0.943 nan 8.190 nan 0.000 0.433 311 H N 2.702 121.710 119.070 -0.104 0.000 2.670 311 H HA 0.368 4.924 4.556 0.001 0.000 0.361 311 H C -0.485 174.862 175.328 0.032 0.000 1.169 311 H CA -0.442 55.574 56.048 -0.053 0.000 1.198 311 H CB 2.260 32.086 29.762 0.107 0.000 1.700 311 H HN 0.968 nan 8.280 nan 0.000 0.542 312 W N 2.436 123.574 121.300 -0.269 0.000 3.278 312 W HA 0.068 4.729 4.660 0.002 0.000 0.308 312 W C -0.327 176.042 176.519 -0.250 0.000 1.253 312 W CA -0.386 56.778 57.345 -0.302 0.000 1.759 312 W CB -1.045 28.186 29.460 -0.382 0.000 1.093 312 W HN 0.630 nan 8.180 nan 0.000 0.648 313 Y N 1.436 121.865 120.300 0.215 0.000 2.439 313 Y HA 0.052 4.603 4.550 0.001 0.000 0.292 313 Y C 1.846 177.783 175.900 0.062 0.000 1.130 313 Y CA 1.302 59.446 58.100 0.074 0.000 1.254 313 Y CB -0.269 38.295 38.460 0.174 0.000 1.000 313 Y HN -0.146 nan 8.280 nan 0.000 0.554 314 L N -0.223 121.090 121.223 0.149 0.000 3.141 314 L HA 0.187 4.527 4.340 0.001 0.000 0.267 314 L C 0.428 177.219 176.870 -0.131 0.000 1.281 314 L CA -0.152 54.715 54.840 0.045 0.000 1.037 314 L CB 0.197 42.236 42.059 -0.033 0.000 1.407 314 L HN 0.009 nan 8.230 nan 0.000 0.566 315 D N 1.007 121.375 120.400 -0.053 0.000 2.218 315 D HA -0.200 4.440 4.640 0.001 0.000 0.204 315 D C 2.000 178.256 176.300 -0.073 0.000 0.976 315 D CA 1.282 55.238 54.000 -0.072 0.000 0.853 315 D CB 0.019 40.792 40.800 -0.046 0.000 0.939 315 D HN 0.492 nan 8.370 nan 0.000 0.481 316 F N 0.026 119.927 119.950 -0.082 0.000 2.202 316 F HA -0.055 4.473 4.527 0.001 0.000 0.301 316 F C 1.719 177.505 175.800 -0.024 0.000 1.082 316 F CA 0.818 58.789 58.000 -0.049 0.000 1.313 316 F CB -0.726 38.247 39.000 -0.044 0.000 1.024 316 F HN -0.109 nan 8.300 nan 0.000 0.495 317 L N 0.332 120.950 121.223 -1.010 0.000 2.558 317 L HA 0.305 4.645 4.340 0.001 0.000 0.225 317 L C 0.867 177.554 176.870 -0.305 0.000 1.128 317 L CA 0.275 54.715 54.840 -0.668 0.000 0.868 317 L CB -0.264 41.334 42.059 -0.768 0.000 1.006 317 L HN 0.306 nan 8.230 nan 0.000 0.454 318 A N 0.459 123.139 122.820 -0.233 0.000 2.763 318 A HA 0.545 4.865 4.320 0.001 0.000 0.325 318 A C -2.523 174.989 177.584 -0.120 0.000 1.209 318 A CA -1.319 50.628 52.037 -0.150 0.000 0.764 318 A CB -0.028 18.890 19.000 -0.136 0.000 1.120 318 A HN -0.165 nan 8.150 nan 0.000 0.463 319 P HA 0.119 nan 4.420 nan 0.000 0.262 319 P C 1.132 178.312 177.300 -0.199 0.000 1.182 319 P CA 0.648 63.675 63.100 -0.122 0.000 0.761 319 P CB 0.983 32.630 31.700 -0.089 0.000 0.795 320 A N 4.691 127.318 122.820 -0.323 0.000 1.940 320 A HA -0.234 4.086 4.320 0.001 0.000 0.219 320 A C 2.122 179.302 177.584 -0.673 0.000 1.176 320 A CA 1.800 53.521 52.037 -0.527 0.000 0.631 320 A CB -0.943 17.605 19.000 -0.754 0.000 0.814 320 A HN 0.569 nan 8.150 nan 0.000 0.446 321 K N -0.317 119.674 120.400 -0.682 0.000 2.057 321 K HA -0.059 4.261 4.320 0.001 0.000 0.207 321 K C 1.904 178.469 176.600 -0.059 0.000 1.049 321 K CA 1.279 57.400 56.287 -0.277 0.000 0.931 321 K CB -0.294 32.179 32.500 -0.046 0.000 0.714 321 K HN 0.363 nan 8.250 nan 0.000 0.440 322 A N 0.177 122.954 122.820 -0.072 0.000 2.169 322 A HA -0.030 4.291 4.320 0.001 0.000 0.212 322 A C 1.819 179.406 177.584 0.004 0.000 1.153 322 A CA 1.452 53.481 52.037 -0.013 0.000 0.756 322 A CB -0.342 18.645 19.000 -0.020 0.000 0.813 322 A HN 0.632 nan 8.150 nan 0.000 0.471 323 T N -2.727 111.815 114.554 -0.021 0.000 3.348 323 T HA 0.190 4.540 4.350 0.001 0.000 0.233 323 T C 1.807 176.542 174.700 0.058 0.000 0.960 323 T CA 0.611 62.717 62.100 0.010 0.000 1.343 323 T CB -0.708 68.144 68.868 -0.026 0.000 1.068 323 T HN 0.108 nan 8.240 nan 0.000 0.410 324 L N 1.439 122.690 121.223 0.046 0.000 2.017 324 L HA 0.155 4.496 4.340 0.001 0.000 0.208 324 L C 3.188 180.219 176.870 0.268 0.000 1.073 324 L CA 1.668 56.597 54.840 0.148 0.000 0.745 324 L CB -1.207 40.938 42.059 0.143 0.000 0.894 324 L HN 0.576 nan 8.230 nan 0.000 0.432 325 G N -0.299 108.666 108.800 0.276 0.000 2.418 325 G HA2 -0.311 3.650 3.960 0.001 0.000 0.217 325 G HA3 -0.311 3.650 3.960 0.001 0.000 0.217 325 G C 1.500 176.560 174.900 0.267 0.000 1.158 325 G CA 0.928 46.284 45.100 0.427 0.000 0.771 325 G HN 0.330 nan 8.290 nan 0.000 0.545 326 E N 0.376 120.676 120.200 0.168 0.000 2.107 326 E HA -0.046 4.305 4.350 0.001 0.000 0.191 326 E C 2.609 179.271 176.600 0.103 0.000 0.982 326 E CA 1.513 57.979 56.400 0.110 0.000 0.809 326 E CB -0.545 29.205 29.700 0.083 0.000 0.756 326 E HN 0.307 nan 8.360 nan 0.000 0.459 327 T N 0.186 114.836 114.554 0.160 0.000 2.746 327 T HA -0.184 4.167 4.350 0.001 0.000 0.267 327 T C 1.629 176.438 174.700 0.183 0.000 1.039 327 T CA 1.422 63.653 62.100 0.218 0.000 1.142 327 T CB -0.504 68.500 68.868 0.227 0.000 0.866 327 T HN 0.381 nan 8.240 nan 0.000 0.444 328 H N 1.406 120.518 119.070 0.070 0.000 2.353 328 H HA 0.020 4.577 4.556 0.001 0.000 0.300 328 H C 2.616 177.884 175.328 -0.100 0.000 1.090 328 H CA 1.558 57.575 56.048 -0.051 0.000 1.327 328 H CB -0.093 29.499 29.762 -0.284 0.000 1.383 328 H HN 0.234 nan 8.280 nan 0.000 0.508 329 R N 0.301 120.725 120.500 -0.128 0.000 2.091 329 R HA -0.107 4.233 4.340 0.001 0.000 0.238 329 R C 2.634 178.769 176.300 -0.276 0.000 1.136 329 R CA 1.522 57.520 56.100 -0.170 0.000 0.959 329 R CB -0.088 30.194 30.300 -0.031 0.000 0.856 329 R HN 0.329 nan 8.270 nan 0.000 0.437 330 L N -0.995 120.035 121.223 -0.322 0.000 2.179 330 L HA 0.018 4.358 4.340 0.001 0.000 0.208 330 L C 0.408 176.717 176.870 -0.935 0.000 1.096 330 L CA 0.757 55.196 54.840 -0.668 0.000 0.779 330 L CB 0.191 41.721 42.059 -0.882 0.000 0.922 330 L HN 0.094 nan 8.230 nan 0.000 0.443 331 F N -0.758 119.120 119.950 -0.120 0.000 2.593 331 F HA 0.285 4.813 4.527 0.001 0.000 0.336 331 F C -1.619 174.080 175.800 -0.167 0.000 1.491 331 F CA -1.435 56.500 58.000 -0.108 0.000 1.114 331 F CB 0.342 39.309 39.000 -0.055 0.000 1.468 331 F HN -0.164 nan 8.300 nan 0.000 0.579 332 P HA -0.149 nan 4.420 nan 0.000 0.221 332 P C 0.559 177.822 177.300 -0.063 0.000 1.145 332 P CA 1.405 64.285 63.100 -0.367 0.000 0.795 332 P CB 0.368 31.805 31.700 -0.438 0.000 0.775 333 N N -0.854 117.844 118.700 -0.004 0.000 2.322 333 N HA 0.030 4.770 4.740 0.001 0.000 0.194 333 N C -0.028 175.488 175.510 0.010 0.000 1.126 333 N CA 0.507 53.569 53.050 0.020 0.000 0.845 333 N CB 0.058 38.554 38.487 0.016 0.000 0.976 333 N HN 0.098 nan 8.380 nan 0.000 0.475 334 T N 2.674 117.247 114.554 0.033 0.000 2.801 334 T HA 0.274 4.624 4.350 0.001 0.000 0.306 334 T C 0.481 175.185 174.700 0.006 0.000 1.020 334 T CA -0.750 61.338 62.100 -0.020 0.000 0.948 334 T CB 0.642 69.508 68.868 -0.004 0.000 0.962 334 T HN 0.089 nan 8.240 nan 0.000 0.465 335 M N 3.829 123.387 119.600 -0.069 0.000 2.249 335 M HA 0.345 4.825 4.480 0.001 0.000 0.340 335 M C -0.910 175.454 176.300 0.106 0.000 1.166 335 M CA 0.214 55.537 55.300 0.038 0.000 1.115 335 M CB -0.416 32.199 32.600 0.024 0.000 1.606 335 M HN 0.336 nan 8.290 nan 0.000 0.448 336 L N 4.267 125.595 121.223 0.175 0.000 2.312 336 L HA 0.658 4.999 4.340 0.001 0.000 0.281 336 L C -0.921 176.102 176.870 0.256 0.000 1.070 336 L CA -0.245 54.708 54.840 0.188 0.000 0.805 336 L CB 0.841 43.008 42.059 0.180 0.000 1.174 336 L HN 0.833 nan 8.230 nan 0.000 0.434 337 F N 2.589 122.578 119.950 0.064 0.000 2.573 337 F HA 0.653 5.181 4.527 0.001 0.000 0.316 337 F C -0.449 175.358 175.800 0.011 0.000 1.148 337 F CA -0.748 57.290 58.000 0.063 0.000 0.940 337 F CB 1.378 40.461 39.000 0.137 0.000 1.214 337 F HN 0.432 nan 8.300 nan 0.000 0.448 338 A N 3.534 125.940 122.820 -0.689 0.000 2.310 338 A HA 0.475 4.796 4.320 0.001 0.000 0.300 338 A C 0.463 177.524 177.584 -0.872 0.000 1.269 338 A CA 0.266 51.928 52.037 -0.625 0.000 0.909 338 A CB 0.032 18.656 19.000 -0.625 0.000 1.144 338 A HN 1.029 nan 8.150 nan 0.000 0.540 339 S N 1.155 116.626 115.700 -0.383 0.000 2.539 339 S HA 0.280 4.751 4.470 0.001 0.000 0.221 339 S C 0.196 174.600 174.600 -0.326 0.000 0.987 339 S CA 0.163 58.282 58.200 -0.135 0.000 0.929 339 S CB 0.108 63.470 63.200 0.270 0.000 0.832 339 S HN 0.782 nan 8.310 nan 0.000 0.492 340 E N -0.139 119.685 120.200 -0.627 0.000 2.406 340 E HA 0.585 4.936 4.350 0.001 0.000 0.297 340 E C -1.894 174.183 176.600 -0.872 0.000 0.917 340 E CA -0.353 55.586 56.400 -0.768 0.000 0.795 340 E CB 1.692 30.689 29.700 -1.171 0.000 1.285 340 E HN 0.371 nan 8.360 nan 0.000 0.400 341 A N 2.372 124.601 122.820 -0.984 0.000 2.520 341 A HA 0.860 5.181 4.320 0.001 0.000 0.298 341 A C -1.079 176.038 177.584 -0.777 0.000 1.051 341 A CA -0.471 50.604 52.037 -1.604 0.000 0.690 341 A CB 0.989 18.477 19.000 -2.520 0.000 1.281 341 A HN 0.888 nan 8.150 nan 0.000 0.402 342 C N 0.229 119.312 119.300 -0.362 0.000 3.284 342 C HA 0.823 5.283 4.460 0.001 0.000 0.338 342 C C -0.212 175.177 174.990 0.665 0.000 1.237 342 C CA -0.232 58.956 59.018 0.283 0.000 1.276 342 C CB 0.457 28.461 27.740 0.441 0.000 1.601 342 C HN 1.885 nan 8.230 nan 0.000 0.494 343 V N 0.259 120.544 119.914 0.619 0.000 3.134 343 V HA 0.946 5.067 4.120 0.001 0.000 0.313 343 V C 1.133 177.403 176.094 0.294 0.000 1.069 343 V CA 0.544 63.140 62.300 0.493 0.000 1.048 343 V CB 0.689 32.735 31.823 0.371 0.000 1.119 343 V HN 2.952 nan 8.190 nan 0.000 0.461 344 G N 1.247 110.145 108.800 0.164 0.000 2.143 344 G HA2 -0.240 3.720 3.960 0.001 0.000 0.248 344 G HA3 -0.240 3.720 3.960 0.001 0.000 0.248 344 G C 0.646 175.594 174.900 0.080 0.000 0.991 344 G CA 0.841 45.988 45.100 0.079 0.000 0.689 344 G HN 1.786 nan 8.290 nan 0.000 0.522 345 S N -1.173 114.595 115.700 0.113 0.000 2.524 345 S HA 0.324 4.795 4.470 0.001 0.000 0.216 345 S C 0.968 175.512 174.600 -0.094 0.000 0.987 345 S CA 0.165 58.432 58.200 0.111 0.000 0.909 345 S CB 0.720 64.092 63.200 0.286 0.000 0.781 345 S HN 0.380 nan 8.310 nan 0.000 0.521 346 K N 2.232 122.416 120.400 -0.361 0.000 2.237 346 K HA 0.227 4.548 4.320 0.001 0.000 0.270 346 K C 0.869 177.014 176.600 -0.759 0.000 1.015 346 K CA -0.569 55.200 56.287 -0.863 0.000 0.949 346 K CB 0.286 31.721 32.500 -1.775 0.000 0.976 346 K HN 0.335 nan 8.250 nan 0.000 0.472 347 F N 0.321 119.982 119.950 -0.482 0.000 2.269 347 F HA -0.097 4.430 4.527 0.000 0.000 0.301 347 F C 1.568 177.355 175.800 -0.023 0.000 1.082 347 F CA 0.325 58.241 58.000 -0.141 0.000 1.360 347 F CB -0.767 38.236 39.000 0.006 0.000 1.041 347 F HN 0.683 nan 8.300 nan 0.000 0.512 348 W N 1.558 122.597 121.300 -0.434 0.000 3.047 348 W HA 0.345 5.007 4.660 0.003 0.000 0.250 348 W C -0.087 176.389 176.519 -0.072 0.000 1.314 348 W CA -0.521 56.719 57.345 -0.174 0.000 1.540 348 W CB -1.015 28.250 29.460 -0.324 0.000 1.127 348 W HN -0.038 nan 8.180 nan 0.000 0.679 349 E N 1.779 121.793 120.200 -0.309 0.000 2.277 349 E HA 0.077 4.427 4.350 0.001 0.000 0.274 349 E C -0.380 176.202 176.600 -0.030 0.000 1.022 349 E CA -0.885 55.430 56.400 -0.143 0.000 0.853 349 E CB 1.022 30.571 29.700 -0.251 0.000 1.086 349 E HN 0.044 nan 8.360 nan 0.000 0.397 350 Q N 1.504 121.309 119.800 0.008 0.000 2.300 350 Q HA -0.018 4.322 4.340 0.001 0.000 0.280 350 Q C 0.295 176.301 176.000 0.010 0.000 1.033 350 Q CA 0.038 55.851 55.803 0.016 0.000 0.903 350 Q CB 0.676 29.403 28.738 -0.020 0.000 1.195 350 Q HN 0.566 nan 8.270 nan 0.000 0.386 351 S N 2.308 118.042 115.700 0.056 0.000 2.351 351 S HA -0.075 4.395 4.470 0.001 0.000 0.220 351 S C 0.307 174.933 174.600 0.044 0.000 1.035 351 S CA 0.814 59.070 58.200 0.094 0.000 1.031 351 S CB 0.308 63.610 63.200 0.170 0.000 0.928 351 S HN 0.535 nan 8.310 nan 0.000 0.433 352 V N 1.785 121.694 119.914 -0.008 0.000 2.409 352 V HA 0.447 4.567 4.120 0.001 0.000 0.291 352 V C -0.256 175.751 176.094 -0.144 0.000 1.020 352 V CA -0.548 61.720 62.300 -0.053 0.000 0.848 352 V CB 1.523 33.316 31.823 -0.050 0.000 0.990 352 V HN 0.166 nan 8.190 nan 0.000 0.430 353 R N 4.473 124.838 120.500 -0.225 0.000 2.396 353 R HA 0.483 4.823 4.340 0.001 0.000 0.292 353 R C -0.796 175.329 176.300 -0.292 0.000 1.240 353 R CA -0.563 55.227 56.100 -0.517 0.000 1.270 353 R CB 0.993 30.917 30.300 -0.627 0.000 1.108 353 R HN 0.647 nan 8.270 nan 0.000 0.573 354 L N 2.244 123.403 121.223 -0.106 0.000 2.615 354 L HA 0.000 4.341 4.340 0.001 0.000 0.271 354 L C 1.331 178.348 176.870 0.245 0.000 1.183 354 L CA 1.000 55.819 54.840 -0.035 0.000 0.933 354 L CB 0.516 42.271 42.059 -0.506 0.000 1.199 354 L HN 0.988 nan 8.230 nan 0.000 0.487 355 G N 2.085 111.005 108.800 0.199 0.000 2.157 355 G HA2 -0.286 3.674 3.960 0.001 0.000 0.248 355 G HA3 -0.286 3.674 3.960 0.001 0.000 0.248 355 G C 0.413 175.478 174.900 0.276 0.000 0.979 355 G CA 0.210 45.478 45.100 0.280 0.000 0.650 355 G HN 0.669 nan 8.290 nan 0.000 0.529 356 S N -0.024 115.776 115.700 0.167 0.000 2.509 356 S HA 0.215 4.685 4.470 0.001 0.000 0.287 356 S C 1.251 175.948 174.600 0.161 0.000 1.248 356 S CA 0.547 58.824 58.200 0.128 0.000 1.089 356 S CB -0.070 63.111 63.200 -0.031 0.000 0.900 356 S HN 0.452 nan 8.310 nan 0.000 0.496 357 W N 4.582 125.898 121.300 0.026 0.000 2.418 357 W HA -0.113 4.547 4.660 0.001 0.000 0.292 357 W C 1.481 177.961 176.519 -0.064 0.000 1.213 357 W CA 1.515 58.869 57.345 0.016 0.000 1.283 357 W CB -0.470 28.998 29.460 0.014 0.000 1.119 357 W HN 0.962 nan 8.180 nan 0.000 0.542 358 D N 0.136 120.529 120.400 -0.012 0.000 2.133 358 D HA -0.245 4.395 4.640 0.001 0.000 0.195 358 D C 2.172 178.379 176.300 -0.155 0.000 0.997 358 D CA 2.056 56.004 54.000 -0.086 0.000 0.840 358 D CB -0.104 40.685 40.800 -0.018 0.000 0.947 358 D HN 0.049 nan 8.370 nan 0.000 0.452 359 R N -0.459 119.956 120.500 -0.141 0.000 2.090 359 R HA 0.073 4.414 4.340 0.001 0.000 0.228 359 R C 2.556 178.686 176.300 -0.283 0.000 1.110 359 R CA 0.977 57.002 56.100 -0.124 0.000 0.973 359 R CB -0.391 29.850 30.300 -0.098 0.000 0.869 359 R HN 0.250 nan 8.270 nan 0.000 0.440 360 G N 1.209 109.710 108.800 -0.499 0.000 2.446 360 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 360 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 360 G C 1.459 175.681 174.900 -1.130 0.000 1.168 360 G CA 0.715 45.299 45.100 -0.861 0.000 0.771 360 G HN 0.144 nan 8.290 nan 0.000 0.551 361 M N 0.019 118.997 119.600 -1.038 0.000 2.159 361 M HA -0.120 4.360 4.480 0.001 0.000 0.263 361 M C 2.782 179.040 176.300 -0.071 0.000 1.063 361 M CA 1.331 56.344 55.300 -0.479 0.000 1.110 361 M CB -0.425 32.025 32.600 -0.250 0.000 1.374 361 M HN 0.314 nan 8.290 nan 0.000 0.411 362 Q N -0.584 119.219 119.800 0.006 0.000 2.096 362 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 362 Q C 1.905 178.192 176.000 0.478 0.000 0.982 362 Q CA 1.565 57.526 55.803 0.264 0.000 0.850 362 Q CB -0.249 28.680 28.738 0.318 0.000 0.901 362 Q HN 0.478 nan 8.270 nan 0.000 0.422 363 Y N 0.769 121.125 120.300 0.093 0.000 2.114 363 Y HA -0.230 4.321 4.550 0.001 0.000 0.284 363 Y C 2.897 178.631 175.900 -0.277 0.000 1.143 363 Y CA 1.396 59.448 58.100 -0.080 0.000 1.135 363 Y CB -0.832 37.541 38.460 -0.145 0.000 0.980 363 Y HN 0.186 nan 8.280 nan 0.000 0.499 364 S N -1.227 114.513 115.700 0.067 0.000 2.383 364 S HA -0.239 4.231 4.470 0.001 0.000 0.227 364 S C 1.878 176.516 174.600 0.064 0.000 1.026 364 S CA 1.381 59.643 58.200 0.104 0.000 0.981 364 S CB -0.920 62.594 63.200 0.524 0.000 0.818 364 S HN 0.614 nan 8.310 nan 0.000 0.472 365 H N 1.878 120.983 119.070 0.058 0.000 2.321 365 H HA 0.017 4.574 4.556 0.001 0.000 0.300 365 H C 2.406 177.755 175.328 0.035 0.000 1.087 365 H CA 1.863 57.952 56.048 0.068 0.000 1.319 365 H CB -0.792 29.021 29.762 0.085 0.000 1.379 365 H HN 0.416 nan 8.280 nan 0.000 0.501 366 S N -0.500 115.199 115.700 -0.001 0.000 2.353 366 S HA -0.159 4.312 4.470 0.001 0.000 0.222 366 S C 2.299 176.771 174.600 -0.213 0.000 1.035 366 S CA 1.722 59.938 58.200 0.027 0.000 1.025 366 S CB -0.527 62.933 63.200 0.432 0.000 0.902 366 S HN 0.498 nan 8.310 nan 0.000 0.440 367 I N 1.098 121.269 120.570 -0.665 0.000 2.151 367 I HA -0.218 3.953 4.170 0.001 0.000 0.243 367 I C 2.235 178.055 176.117 -0.495 0.000 1.080 367 I CA 1.511 62.240 61.300 -0.951 0.000 1.339 367 I CB -0.434 36.549 38.000 -1.695 0.000 1.039 367 I HN 0.355 nan 8.210 nan 0.000 0.409 368 I N 0.123 120.490 120.570 -0.339 0.000 2.252 368 I HA -0.251 3.920 4.170 0.001 0.000 0.245 368 I C 2.555 178.626 176.117 -0.077 0.000 1.102 368 I CA 1.503 62.759 61.300 -0.073 0.000 1.385 368 I CB -0.538 37.509 38.000 0.078 0.000 1.064 368 I HN 0.224 nan 8.210 nan 0.000 0.414 369 T N 0.578 115.050 114.554 -0.136 0.000 2.746 369 T HA -0.154 4.196 4.350 0.001 0.000 0.267 369 T C 1.752 176.494 174.700 0.069 0.000 1.039 369 T CA 1.342 63.416 62.100 -0.042 0.000 1.142 369 T CB -0.362 68.410 68.868 -0.160 0.000 0.866 369 T HN 0.342 nan 8.240 nan 0.000 0.444 370 N N 1.102 119.818 118.700 0.027 0.000 2.069 370 N HA -0.030 4.711 4.740 0.001 0.000 0.191 370 N C 1.951 177.486 175.510 0.041 0.000 1.031 370 N CA 1.064 54.163 53.050 0.081 0.000 0.852 370 N CB -0.328 38.242 38.487 0.139 0.000 1.018 370 N HN 0.347 nan 8.380 nan 0.000 0.423 371 L N 1.132 122.349 121.223 -0.008 0.000 2.083 371 L HA -0.127 4.214 4.340 0.001 0.000 0.209 371 L C 2.237 179.010 176.870 -0.161 0.000 1.083 371 L CA 0.822 55.644 54.840 -0.030 0.000 0.752 371 L CB -0.398 41.680 42.059 0.031 0.000 0.899 371 L HN 0.150 nan 8.230 nan 0.000 0.433 372 L N -1.643 119.468 121.223 -0.186 0.000 2.376 372 L HA -0.157 4.184 4.340 0.001 0.000 0.219 372 L C 0.629 177.016 176.870 -0.806 0.000 1.133 372 L CA 0.772 55.351 54.840 -0.434 0.000 0.816 372 L CB -0.117 41.744 42.059 -0.330 0.000 0.933 372 L HN 0.257 nan 8.230 nan 0.000 0.449 373 Y N -1.147 118.946 120.300 -0.345 0.000 2.669 373 Y HA 0.248 4.799 4.550 0.001 0.000 0.302 373 Y C 0.388 176.139 175.900 -0.248 0.000 1.000 373 Y CA -0.734 57.136 58.100 -0.384 0.000 1.222 373 Y CB -0.357 38.043 38.460 -0.100 0.000 1.209 373 Y HN 0.141 nan 8.280 nan 0.000 0.571 374 H N -3.035 115.980 119.070 -0.090 0.000 3.636 374 H HA -0.144 4.413 4.556 0.001 0.000 0.179 374 H C 0.065 175.402 175.328 0.015 0.000 0.968 374 H CA 0.530 56.515 56.048 -0.105 0.000 1.220 374 H CB -1.547 28.058 29.762 -0.262 0.000 1.023 374 H HN 0.101 nan 8.280 nan 0.000 0.366 375 V N 2.847 122.827 119.914 0.110 0.000 2.572 375 V HA 0.039 4.160 4.120 0.001 0.000 0.291 375 V C 2.009 178.153 176.094 0.084 0.000 1.039 375 V CA 0.778 63.143 62.300 0.109 0.000 1.055 375 V CB 1.526 33.398 31.823 0.082 0.000 0.969 375 V HN 0.344 nan 8.190 nan 0.000 0.482 376 V N 1.845 121.830 119.914 0.119 0.000 3.649 376 V HA 0.642 4.763 4.120 0.001 0.000 0.275 376 V C 0.687 176.790 176.094 0.014 0.000 1.281 376 V CA 0.961 63.327 62.300 0.110 0.000 1.143 376 V CB -0.260 31.675 31.823 0.187 0.000 0.892 376 V HN 1.003 nan 8.190 nan 0.000 0.441 377 G N -1.423 107.318 108.800 -0.098 0.000 2.547 377 G HA2 0.454 4.414 3.960 0.001 0.000 0.291 377 G HA3 0.454 4.414 3.960 0.001 0.000 0.291 377 G C -2.597 171.932 174.900 -0.617 0.000 1.471 377 G CA -0.533 44.323 45.100 -0.407 0.000 0.798 377 G HN 0.340 nan 8.290 nan 0.000 0.504 378 W N 0.887 121.698 121.300 -0.814 0.000 3.132 378 W HA 0.600 5.261 4.660 0.001 0.000 0.337 378 W C -0.795 175.474 176.519 -0.417 0.000 1.082 378 W CA -0.426 56.582 57.345 -0.561 0.000 1.242 378 W CB 2.342 31.651 29.460 -0.250 0.000 1.354 378 W HN 0.567 nan 8.180 nan 0.000 0.461 379 T N 4.272 118.482 114.554 -0.573 0.000 2.809 379 T HA 0.136 4.486 4.350 0.001 0.000 0.284 379 T C -0.558 173.790 174.700 -0.586 0.000 0.992 379 T CA -0.471 61.403 62.100 -0.377 0.000 0.957 379 T CB 1.334 70.087 68.868 -0.192 0.000 0.942 379 T HN 0.359 nan 8.240 nan 0.000 0.439 380 D N 1.159 121.390 120.400 -0.282 0.000 2.371 380 D HA 0.142 4.782 4.640 0.001 0.000 0.242 380 D C 0.336 176.626 176.300 -0.016 0.000 1.218 380 D CA -0.547 53.335 54.000 -0.197 0.000 0.945 380 D CB 0.826 41.719 40.800 0.155 0.000 1.137 380 D HN 0.551 nan 8.370 nan 0.000 0.464 381 W N 1.011 122.191 121.300 -0.199 0.000 1.763 381 W HA 0.137 4.797 4.660 0.001 0.000 0.645 381 W C 0.180 176.634 176.519 -0.107 0.000 1.367 381 W CA -0.666 56.593 57.345 -0.142 0.000 1.064 381 W CB 0.000 29.387 29.460 -0.123 0.000 3.517 381 W HN 0.209 nan 8.180 nan 0.000 0.762 382 N N 2.548 120.833 118.700 -0.691 0.000 2.292 382 N HA -0.110 4.631 4.740 0.001 0.000 0.258 382 N C 0.873 176.237 175.510 -0.245 0.000 1.261 382 N CA 0.630 53.254 53.050 -0.711 0.000 0.845 382 N CB 0.900 38.843 38.487 -0.907 0.000 1.064 382 N HN 0.322 nan 8.380 nan 0.000 0.471 383 L N 1.149 122.277 121.223 -0.160 0.000 2.201 383 L HA -0.044 4.296 4.340 0.001 0.000 0.212 383 L C 1.028 177.986 176.870 0.146 0.000 1.105 383 L CA 0.870 55.702 54.840 -0.013 0.000 0.775 383 L CB -0.110 41.920 42.059 -0.048 0.000 0.913 383 L HN 0.594 nan 8.230 nan 0.000 0.440 384 A N -0.807 122.023 122.820 0.017 0.000 2.594 384 A HA 0.765 5.086 4.320 0.001 0.000 0.295 384 A C -1.272 176.290 177.584 -0.038 0.000 1.071 384 A CA -0.463 51.592 52.037 0.031 0.000 0.685 384 A CB 1.462 20.478 19.000 0.026 0.000 1.285 384 A HN -0.023 nan 8.150 nan 0.000 0.405 385 L N 0.838 122.058 121.223 -0.005 0.000 2.403 385 L HA 0.464 4.805 4.340 0.001 0.000 0.253 385 L C -0.122 176.761 176.870 0.022 0.000 1.045 385 L CA -1.231 53.611 54.840 0.002 0.000 0.845 385 L CB 2.340 44.401 42.059 0.002 0.000 1.447 385 L HN 1.006 nan 8.230 nan 0.000 0.411 386 N N -0.072 118.638 118.700 0.016 0.000 2.327 386 N HA 0.258 4.999 4.740 0.001 0.000 0.257 386 N C -2.387 173.110 175.510 -0.022 0.000 1.281 386 N CA -1.477 51.572 53.050 -0.002 0.000 0.942 386 N CB -0.226 38.248 38.487 -0.021 0.000 1.199 386 N HN 0.187 nan 8.380 nan 0.000 0.532 387 P HA -0.042 nan 4.420 nan 0.000 0.230 387 P C 0.617 177.856 177.300 -0.102 0.000 1.158 387 P CA 0.999 64.071 63.100 -0.047 0.000 0.769 387 P CB 0.172 31.855 31.700 -0.029 0.000 0.807 388 E N -0.809 119.284 120.200 -0.178 0.000 2.371 388 E HA 0.053 4.403 4.350 0.001 0.000 0.194 388 E C 0.867 177.259 176.600 -0.348 0.000 1.012 388 E CA 0.565 56.764 56.400 -0.336 0.000 0.860 388 E CB -0.292 29.060 29.700 -0.579 0.000 0.811 388 E HN 0.135 nan 8.360 nan 0.000 0.502 389 G N 0.284 108.991 108.800 -0.154 0.000 2.140 389 G HA2 -0.180 3.780 3.960 0.001 0.000 0.211 389 G HA3 -0.180 3.780 3.960 0.001 0.000 0.211 389 G C 0.144 175.208 174.900 0.272 0.000 1.013 389 G CA 0.036 45.181 45.100 0.076 0.000 0.705 389 G HN 0.538 nan 8.290 nan 0.000 0.508 390 G N -0.762 108.078 108.800 0.067 0.000 3.176 390 G HA2 0.891 4.852 3.960 0.001 0.000 0.272 390 G HA3 0.891 4.852 3.960 0.001 0.000 0.272 390 G C -2.813 172.204 174.900 0.195 0.000 1.349 390 G CA -0.570 44.694 45.100 0.273 0.000 0.953 390 G HN 0.236 nan 8.290 nan 0.000 0.559 391 P HA 0.185 nan 4.420 nan 0.000 0.274 391 P C -1.070 176.359 177.300 0.216 0.000 1.246 391 P CA -0.236 63.001 63.100 0.228 0.000 0.795 391 P CB 1.292 33.081 31.700 0.148 0.000 1.006 392 N N 1.142 119.921 118.700 0.131 0.000 2.777 392 N HA 0.011 4.752 4.740 0.001 0.000 0.260 392 N C 0.824 176.213 175.510 -0.202 0.000 1.113 392 N CA -0.499 52.393 53.050 -0.264 0.000 0.996 392 N CB 0.692 38.765 38.487 -0.690 0.000 1.584 392 N HN 0.570 nan 8.380 nan 0.000 0.573 393 W N 4.132 125.294 121.300 -0.230 0.000 2.421 393 W HA 0.017 4.678 4.660 0.002 0.000 0.270 393 W C 0.424 176.836 176.519 -0.179 0.000 1.233 393 W CA 1.030 58.287 57.345 -0.147 0.000 1.226 393 W CB -0.721 28.682 29.460 -0.095 0.000 1.121 393 W HN 0.246 nan 8.180 nan 0.000 0.579 394 V N -1.208 118.128 119.914 -0.963 0.000 3.214 394 V HA 0.409 4.530 4.120 0.001 0.000 0.330 394 V C 1.081 176.754 176.094 -0.701 0.000 1.403 394 V CA -0.441 61.334 62.300 -0.874 0.000 1.143 394 V CB -0.805 30.406 31.823 -1.020 0.000 1.098 394 V HN 0.189 nan 8.190 nan 0.000 0.463 395 R N 0.201 120.209 120.500 -0.819 0.000 3.770 395 R HA -0.218 4.123 4.340 0.001 0.000 0.305 395 R C 0.456 175.998 176.300 -1.262 0.000 1.184 395 R CA 1.021 56.311 56.100 -1.350 0.000 0.823 395 R CB -2.369 27.453 30.300 -0.797 0.000 1.285 395 R HN 0.667 nan 8.270 nan 0.000 0.499 396 N N 1.254 119.388 118.700 -0.944 0.000 3.111 396 N HA 0.081 4.821 4.740 0.001 0.000 0.302 396 N C -0.403 174.901 175.510 -0.345 0.000 1.317 396 N CA 0.002 52.705 53.050 -0.578 0.000 1.151 396 N CB -0.110 38.060 38.487 -0.527 0.000 1.456 396 N HN 0.173 nan 8.380 nan 0.000 0.547 397 F N -0.084 119.830 119.950 -0.059 0.000 2.563 397 F HA 0.132 4.660 4.527 0.001 0.000 0.363 397 F C 1.277 177.198 175.800 0.201 0.000 1.123 397 F CA -0.490 57.569 58.000 0.098 0.000 1.307 397 F CB 0.372 39.407 39.000 0.059 0.000 1.115 397 F HN -0.041 nan 8.300 nan 0.000 0.592 398 V N -1.326 118.903 119.914 0.525 0.000 3.084 398 V HA 0.572 4.693 4.120 0.001 0.000 0.311 398 V C -1.088 175.147 176.094 0.235 0.000 1.311 398 V CA -0.988 61.521 62.300 0.349 0.000 1.062 398 V CB 1.796 33.865 31.823 0.410 0.000 1.113 398 V HN 0.552 nan 8.190 nan 0.000 0.468 399 D N 0.219 120.726 120.400 0.178 0.000 2.340 399 D HA 0.698 5.339 4.640 0.001 0.000 0.251 399 D C -0.662 175.696 176.300 0.096 0.000 1.080 399 D CA 0.273 54.336 54.000 0.105 0.000 0.971 399 D CB 1.933 42.776 40.800 0.071 0.000 1.137 399 D HN 0.910 nan 8.370 nan 0.000 0.475 400 S N 0.473 116.211 115.700 0.064 0.000 2.546 400 S HA 0.471 4.942 4.470 0.001 0.000 0.274 400 S C -2.237 172.426 174.600 0.104 0.000 1.121 400 S CA -1.358 56.890 58.200 0.079 0.000 0.887 400 S CB 1.733 64.953 63.200 0.033 0.000 1.094 400 S HN 0.123 nan 8.310 nan 0.000 0.474 401 P HA 0.113 nan 4.420 nan 0.000 0.221 401 P C -0.302 177.123 177.300 0.208 0.000 1.145 401 P CA 1.093 64.320 63.100 0.211 0.000 0.795 401 P CB -0.000 31.920 31.700 0.367 0.000 0.775 402 I N -0.067 120.619 120.570 0.194 0.000 2.447 402 I HA 0.252 4.422 4.170 0.001 0.000 0.287 402 I C -0.453 175.736 176.117 0.121 0.000 1.023 402 I CA -0.951 60.426 61.300 0.128 0.000 1.083 402 I CB 2.133 40.152 38.000 0.032 0.000 1.245 402 I HN -0.292 nan 8.210 nan 0.000 0.434 403 I N 6.999 127.664 120.570 0.158 0.000 2.378 403 I HA 0.355 4.525 4.170 0.001 0.000 0.291 403 I C 0.031 176.231 176.117 0.138 0.000 0.992 403 I CA -0.752 60.636 61.300 0.147 0.000 1.154 403 I CB 1.858 39.967 38.000 0.182 0.000 1.315 403 I HN 0.129 nan 8.210 nan 0.000 0.448 404 V N 5.569 125.528 119.914 0.076 0.000 2.439 404 V HA 0.260 4.380 4.120 0.001 0.000 0.282 404 V C -0.010 176.104 176.094 0.033 0.000 1.039 404 V CA -0.442 61.883 62.300 0.043 0.000 0.913 404 V CB 1.815 33.650 31.823 0.020 0.000 0.983 404 V HN 0.604 nan 8.190 nan 0.000 0.460 405 D N 4.107 124.502 120.400 -0.009 0.000 2.477 405 D HA 0.234 4.874 4.640 0.001 0.000 0.239 405 D C 0.806 177.118 176.300 0.020 0.000 1.102 405 D CA -0.282 53.737 54.000 0.032 0.000 0.901 405 D CB 1.184 42.020 40.800 0.060 0.000 1.026 405 D HN 0.541 nan 8.370 nan 0.000 0.515 406 I N 2.528 123.114 120.570 0.026 0.000 2.252 406 I HA -0.210 3.961 4.170 0.001 0.000 0.245 406 I C 1.869 178.001 176.117 0.025 0.000 1.102 406 I CA 1.531 62.846 61.300 0.023 0.000 1.385 406 I CB 0.045 38.058 38.000 0.022 0.000 1.064 406 I HN 0.329 nan 8.210 nan 0.000 0.414 407 T N -1.632 112.940 114.554 0.030 0.000 2.946 407 T HA -0.172 4.179 4.350 0.001 0.000 0.271 407 T C 1.513 176.231 174.700 0.031 0.000 1.104 407 T CA 1.228 63.346 62.100 0.030 0.000 1.114 407 T CB -0.404 68.484 68.868 0.034 0.000 0.867 407 T HN 0.472 nan 8.240 nan 0.000 0.513 408 K N 0.442 120.861 120.400 0.032 0.000 2.373 408 K HA 0.146 4.466 4.320 0.001 0.000 0.202 408 K C 0.218 176.823 176.600 0.009 0.000 1.025 408 K CA 0.204 56.506 56.287 0.026 0.000 1.115 408 K CB 0.291 32.816 32.500 0.043 0.000 0.858 408 K HN 0.158 nan 8.250 nan 0.000 0.525 409 D N 2.485 122.893 120.400 0.013 0.000 2.702 409 D HA -0.152 4.489 4.640 0.001 0.000 0.233 409 D C -0.805 175.497 176.300 0.004 0.000 1.164 409 D CA 1.299 55.311 54.000 0.020 0.000 0.638 409 D CB -0.766 40.048 40.800 0.024 0.000 1.041 409 D HN 0.459 nan 8.370 nan 0.000 0.422 410 T N -1.964 112.562 114.554 -0.046 0.000 2.906 410 T HA 0.759 5.109 4.350 0.001 0.000 0.295 410 T C -0.223 174.340 174.700 -0.228 0.000 1.075 410 T CA -0.989 61.006 62.100 -0.175 0.000 1.005 410 T CB 1.776 70.492 68.868 -0.254 0.000 1.136 410 T HN 0.321 nan 8.240 nan 0.000 0.498 411 F N -0.795 118.893 119.950 -0.437 0.000 2.599 411 F HA 0.819 5.346 4.527 0.001 0.000 0.311 411 F C -1.944 173.524 175.800 -0.552 0.000 1.076 411 F CA -1.832 55.890 58.000 -0.463 0.000 0.937 411 F CB 1.238 40.104 39.000 -0.224 0.000 1.282 411 F HN 0.623 nan 8.300 nan 0.000 0.460 412 Y N 0.872 121.242 120.300 0.116 0.000 2.364 412 Y HA 0.546 5.097 4.550 0.002 0.000 0.340 412 Y C -0.479 175.456 175.900 0.059 0.000 0.975 412 Y CA -1.081 57.047 58.100 0.045 0.000 1.089 412 Y CB 2.061 40.563 38.460 0.069 0.000 1.192 412 Y HN 0.451 nan 8.280 nan 0.000 0.454 413 K N 3.875 124.362 120.400 0.144 0.000 2.253 413 K HA 0.280 4.601 4.320 0.001 0.000 0.277 413 K C -0.436 176.315 176.600 0.251 0.000 1.053 413 K CA -0.571 55.718 56.287 0.003 0.000 0.892 413 K CB 0.923 33.187 32.500 -0.393 0.000 1.102 413 K HN 0.607 nan 8.250 nan 0.000 0.469 414 Q N 2.604 122.552 119.800 0.245 0.000 2.249 414 Q HA 0.135 4.476 4.340 0.001 0.000 0.226 414 Q C -1.721 174.535 176.000 0.427 0.000 0.983 414 Q CA -2.045 53.934 55.803 0.294 0.000 0.930 414 Q CB 0.404 29.245 28.738 0.172 0.000 1.193 414 Q HN 0.250 nan 8.270 nan 0.000 0.508 415 P HA -0.189 nan 4.420 nan 0.000 0.216 415 P C 1.189 178.688 177.300 0.331 0.000 1.150 415 P CA 1.695 65.073 63.100 0.464 0.000 0.843 415 P CB 0.077 31.968 31.700 0.318 0.000 0.787 416 M N -2.682 116.955 119.600 0.062 0.000 2.144 416 M HA -0.212 4.268 4.480 0.001 0.000 0.260 416 M C 2.025 178.400 176.300 0.126 0.000 1.067 416 M CA 1.865 57.100 55.300 -0.108 0.000 1.095 416 M CB -0.956 31.336 32.600 -0.513 0.000 1.365 416 M HN -0.074 nan 8.290 nan 0.000 0.406 417 F N 0.200 120.168 119.950 0.030 0.000 2.095 417 F HA -0.280 4.247 4.527 0.001 0.000 0.298 417 F C 1.883 177.598 175.800 -0.141 0.000 1.104 417 F CA 1.741 59.680 58.000 -0.101 0.000 1.232 417 F CB -0.388 38.396 39.000 -0.361 0.000 0.987 417 F HN 0.011 nan 8.300 nan 0.000 0.475 418 Y N -0.842 119.676 120.300 0.364 0.000 2.263 418 Y HA -0.162 4.388 4.550 0.001 0.000 0.292 418 Y C 2.778 178.836 175.900 0.263 0.000 1.130 418 Y CA 1.639 59.918 58.100 0.298 0.000 1.179 418 Y CB -1.001 37.695 38.460 0.394 0.000 0.998 418 Y HN 0.149 nan 8.280 nan 0.000 0.532 419 H N -0.346 118.897 119.070 0.289 0.000 2.353 419 H HA -0.174 4.382 4.556 0.001 0.000 0.300 419 H C 2.344 177.846 175.328 0.290 0.000 1.090 419 H CA 1.753 57.939 56.048 0.230 0.000 1.327 419 H CB -0.315 29.480 29.762 0.055 0.000 1.383 419 H HN 0.335 nan 8.280 nan 0.000 0.508 420 L N 0.013 121.401 121.223 0.275 0.000 2.017 420 L HA -0.113 4.227 4.340 0.001 0.000 0.208 420 L C 2.769 179.667 176.870 0.047 0.000 1.073 420 L CA 1.224 56.153 54.840 0.148 0.000 0.745 420 L CB -0.578 41.591 42.059 0.183 0.000 0.894 420 L HN 0.294 nan 8.230 nan 0.000 0.432 421 G N -1.992 106.745 108.800 -0.104 0.000 2.432 421 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 421 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 421 G C 1.329 176.120 174.900 -0.182 0.000 1.135 421 G CA 0.394 45.352 45.100 -0.236 0.000 0.767 421 G HN 0.463 nan 8.290 nan 0.000 0.550 422 H N -0.647 118.404 119.070 -0.032 0.000 2.489 422 H HA -0.045 4.512 4.556 0.001 0.000 0.295 422 H C 1.946 177.082 175.328 -0.319 0.000 1.082 422 H CA 1.267 57.268 56.048 -0.079 0.000 1.295 422 H CB 0.071 29.690 29.762 -0.238 0.000 1.380 422 H HN 0.492 nan 8.280 nan 0.000 0.548 423 F N -0.191 119.666 119.950 -0.154 0.000 2.315 423 F HA -0.056 4.471 4.527 0.001 0.000 0.284 423 F C 2.852 178.254 175.800 -0.663 0.000 1.049 423 F CA 0.691 58.422 58.000 -0.447 0.000 1.323 423 F CB -0.602 37.895 39.000 -0.840 0.000 1.113 423 F HN 0.019 nan 8.300 nan 0.000 0.544 424 S N 0.446 115.835 115.700 -0.518 0.000 2.382 424 S HA -0.222 4.248 4.470 0.001 0.000 0.228 424 S C 2.005 176.441 174.600 -0.273 0.000 1.027 424 S CA 1.291 59.272 58.200 -0.365 0.000 0.991 424 S CB -0.623 62.567 63.200 -0.016 0.000 0.823 424 S HN 0.364 nan 8.310 nan 0.000 0.469 425 K N 0.137 120.226 120.400 -0.519 0.000 2.211 425 K HA 0.051 4.372 4.320 0.001 0.000 0.203 425 K C 0.785 176.869 176.600 -0.860 0.000 1.050 425 K CA 1.278 57.033 56.287 -0.886 0.000 0.945 425 K CB -0.135 31.417 32.500 -1.580 0.000 0.732 425 K HN 0.578 nan 8.250 nan 0.000 0.451 426 F N -0.507 119.316 119.950 -0.211 0.000 2.728 426 F HA 0.295 4.822 4.527 0.001 0.000 0.314 426 F C 0.214 176.004 175.800 -0.015 0.000 1.094 426 F CA -0.576 57.353 58.000 -0.119 0.000 1.217 426 F CB 0.942 39.843 39.000 -0.165 0.000 1.056 426 F HN -0.195 nan 8.300 nan 0.000 0.577 427 I N 3.198 123.804 120.570 0.060 0.000 2.621 427 I HA 0.257 4.428 4.170 0.001 0.000 0.276 427 I C -2.467 173.679 176.117 0.049 0.000 1.118 427 I CA -2.029 59.321 61.300 0.083 0.000 1.159 427 I CB 0.422 38.594 38.000 0.288 0.000 1.357 427 I HN -0.255 nan 8.210 nan 0.000 0.513 428 P HA 0.014 nan 4.420 nan 0.000 0.272 428 P C -0.041 177.226 177.300 -0.055 0.000 1.230 428 P CA -0.173 62.860 63.100 -0.112 0.000 0.788 428 P CB 0.725 32.301 31.700 -0.206 0.000 0.949 429 E N 0.314 120.488 120.200 -0.043 0.000 2.502 429 E HA 0.136 4.487 4.350 0.001 0.000 0.261 429 E C 1.127 177.702 176.600 -0.042 0.000 0.974 429 E CA 1.088 57.454 56.400 -0.058 0.000 0.936 429 E CB -0.585 29.061 29.700 -0.089 0.000 0.926 429 E HN 0.772 nan 8.360 nan 0.000 0.459 430 G N 2.884 111.672 108.800 -0.021 0.000 2.234 430 G HA2 -0.276 3.685 3.960 0.001 0.000 0.235 430 G HA3 -0.276 3.685 3.960 0.001 0.000 0.235 430 G C 0.251 175.163 174.900 0.021 0.000 0.997 430 G CA 0.150 45.251 45.100 0.002 0.000 0.623 430 G HN 0.615 nan 8.290 nan 0.000 0.514 431 S N 0.228 115.938 115.700 0.017 0.000 2.576 431 S HA 0.479 4.950 4.470 0.001 0.000 0.272 431 S C 0.149 174.797 174.600 0.081 0.000 1.352 431 S CA 0.565 58.798 58.200 0.055 0.000 1.021 431 S CB 1.572 64.810 63.200 0.063 0.000 0.887 431 S HN 0.715 nan 8.310 nan 0.000 0.542 432 Q N 1.128 120.984 119.800 0.094 0.000 2.321 432 Q HA 0.349 4.690 4.340 0.001 0.000 0.270 432 Q C -0.678 175.396 176.000 0.122 0.000 1.032 432 Q CA -0.722 55.141 55.803 0.100 0.000 0.784 432 Q CB 1.209 29.993 28.738 0.077 0.000 1.264 432 Q HN 0.619 nan 8.270 nan 0.000 0.448 433 R N 2.535 123.129 120.500 0.156 0.000 2.537 433 R HA 0.295 4.635 4.340 0.001 0.000 0.280 433 R C -0.402 176.070 176.300 0.287 0.000 1.058 433 R CA 0.098 56.310 56.100 0.186 0.000 1.057 433 R CB 0.450 30.839 30.300 0.147 0.000 0.973 433 R HN 0.522 nan 8.270 nan 0.000 0.438 434 V N 0.982 121.041 119.914 0.242 0.000 3.158 434 V HA 0.734 4.854 4.120 0.001 0.000 0.315 434 V C 0.349 176.634 176.094 0.318 0.000 1.148 434 V CA -0.771 61.687 62.300 0.264 0.000 1.042 434 V CB 1.383 33.269 31.823 0.104 0.000 1.101 434 V HN 0.837 nan 8.190 nan 0.000 0.448 435 G N 0.282 109.278 108.800 0.327 0.000 2.491 435 G HA2 0.488 4.448 3.960 0.001 0.000 0.238 435 G HA3 0.488 4.448 3.960 0.001 0.000 0.238 435 G C -1.033 173.939 174.900 0.120 0.000 1.277 435 G CA 0.019 45.280 45.100 0.269 0.000 0.851 435 G HN 1.229 nan 8.290 nan 0.000 0.573 436 L N 2.698 123.960 121.223 0.066 0.000 2.516 436 L HA 0.583 4.924 4.340 0.001 0.000 0.267 436 L C -0.284 176.599 176.870 0.021 0.000 0.957 436 L CA -0.774 54.090 54.840 0.040 0.000 0.860 436 L CB 2.180 44.259 42.059 0.034 0.000 1.265 436 L HN 0.676 nan 8.230 nan 0.000 0.403 437 V N 2.120 122.048 119.914 0.024 0.000 2.769 437 V HA 1.039 5.160 4.120 0.001 0.000 0.312 437 V C -0.067 176.036 176.094 0.015 0.000 1.061 437 V CA -0.231 62.080 62.300 0.019 0.000 0.931 437 V CB 1.540 33.380 31.823 0.028 0.000 1.010 437 V HN 1.015 nan 8.190 nan 0.000 0.433 438 A N 2.638 125.467 122.820 0.015 0.000 2.312 438 A HA 0.679 5.000 4.320 0.001 0.000 0.326 438 A C 1.073 178.668 177.584 0.018 0.000 1.172 438 A CA 0.005 52.050 52.037 0.013 0.000 0.821 438 A CB 1.428 20.437 19.000 0.015 0.000 1.166 438 A HN 1.845 nan 8.150 nan 0.000 0.493 439 S N 0.832 116.543 115.700 0.018 0.000 2.522 439 S HA 0.083 4.554 4.470 0.001 0.000 0.227 439 S C 0.507 175.121 174.600 0.024 0.000 0.986 439 S CA 0.795 59.011 58.200 0.025 0.000 0.929 439 S CB -0.469 62.751 63.200 0.033 0.000 0.769 439 S HN 0.960 nan 8.310 nan 0.000 0.529 440 Q N -1.502 118.310 119.800 0.020 0.000 2.633 440 Q HA 0.594 4.935 4.340 0.001 0.000 0.289 440 Q C -1.047 174.965 176.000 0.019 0.000 0.940 440 Q CA -1.183 54.632 55.803 0.020 0.000 0.785 440 Q CB 0.805 29.554 28.738 0.018 0.000 1.467 440 Q HN 0.060 nan 8.270 nan 0.000 0.401 441 K N 1.177 121.590 120.400 0.020 0.000 2.485 441 K HA 0.309 4.630 4.320 0.001 0.000 0.277 441 K C -0.345 176.267 176.600 0.020 0.000 0.990 441 K CA 1.038 57.339 56.287 0.023 0.000 0.994 441 K CB -0.678 31.836 32.500 0.023 0.000 0.906 441 K HN 0.867 nan 8.250 nan 0.000 0.488 442 N N -1.312 117.402 118.700 0.023 0.000 3.020 442 N HA 0.312 5.053 4.740 0.001 0.000 0.248 442 N C -0.994 174.532 175.510 0.027 0.000 1.480 442 N CA -0.712 52.349 53.050 0.020 0.000 0.874 442 N CB 1.327 39.824 38.487 0.016 0.000 1.433 442 N HN 0.281 nan 8.380 nan 0.000 0.530 443 D N -0.151 120.263 120.400 0.023 0.000 2.388 443 D HA 0.234 4.875 4.640 0.001 0.000 0.221 443 D C -0.176 176.153 176.300 0.047 0.000 1.133 443 D CA 0.091 54.111 54.000 0.032 0.000 0.831 443 D CB 0.236 41.046 40.800 0.017 0.000 0.962 443 D HN 0.356 nan 8.370 nan 0.000 0.502 444 L N 0.653 121.905 121.223 0.047 0.000 2.399 444 L HA 0.295 4.636 4.340 0.001 0.000 0.266 444 L C 0.373 177.297 176.870 0.090 0.000 1.114 444 L CA -0.375 54.501 54.840 0.059 0.000 0.804 444 L CB 1.102 43.184 42.059 0.038 0.000 1.146 444 L HN -0.272 nan 8.230 nan 0.000 0.451 445 D N 1.471 121.942 120.400 0.119 0.000 2.278 445 D HA 0.669 5.310 4.640 0.001 0.000 0.245 445 D C -0.749 175.622 176.300 0.118 0.000 1.052 445 D CA -0.043 54.039 54.000 0.137 0.000 0.834 445 D CB 2.341 43.266 40.800 0.209 0.000 1.194 445 D HN 0.598 nan 8.370 nan 0.000 0.481 446 A N 1.418 124.294 122.820 0.094 0.000 2.572 446 A HA 0.688 5.008 4.320 0.001 0.000 0.295 446 A C -1.508 176.123 177.584 0.078 0.000 1.072 446 A CA -0.719 51.373 52.037 0.092 0.000 0.691 446 A CB 2.068 21.109 19.000 0.070 0.000 1.291 446 A HN 0.335 nan 8.150 nan 0.000 0.404 447 V N 0.347 120.320 119.914 0.098 0.000 2.932 447 V HA 0.863 4.983 4.120 0.001 0.000 0.307 447 V C -0.626 175.520 176.094 0.087 0.000 1.147 447 V CA 0.190 62.537 62.300 0.079 0.000 0.951 447 V CB 1.905 33.794 31.823 0.110 0.000 1.031 447 V HN 2.144 nan 8.190 nan 0.000 0.426 448 A N 6.057 128.918 122.820 0.067 0.000 2.365 448 A HA 0.995 5.316 4.320 0.001 0.000 0.318 448 A C -1.584 176.037 177.584 0.063 0.000 1.091 448 A CA -0.550 51.523 52.037 0.060 0.000 0.763 448 A CB 1.504 20.540 19.000 0.059 0.000 1.248 448 A HN 0.924 nan 8.150 nan 0.000 0.442 449 L N 1.045 122.291 121.223 0.038 0.000 2.376 449 L HA 0.637 4.978 4.340 0.001 0.000 0.258 449 L C -0.283 176.589 176.870 0.004 0.000 1.013 449 L CA -0.160 54.719 54.840 0.065 0.000 0.822 449 L CB 2.040 44.177 42.059 0.131 0.000 1.388 449 L HN 0.729 nan 8.230 nan 0.000 0.413 450 M N 0.741 120.363 119.600 0.038 0.000 2.294 450 M HA 0.424 4.905 4.480 0.001 0.000 0.335 450 M C -0.524 175.854 176.300 0.131 0.000 1.079 450 M CA -0.447 54.859 55.300 0.009 0.000 0.982 450 M CB 1.410 34.001 32.600 -0.015 0.000 1.651 450 M HN 0.546 nan 8.290 nan 0.000 0.437 451 H N 2.670 121.703 119.070 -0.061 0.000 2.679 451 H HA 0.054 4.610 4.556 0.001 0.000 0.369 451 H C -1.539 173.786 175.328 -0.006 0.000 1.178 451 H CA -1.543 54.491 56.048 -0.022 0.000 1.419 451 H CB 0.500 30.244 29.762 -0.029 0.000 1.458 451 H HN 0.436 nan 8.280 nan 0.000 0.605 452 P HA -0.193 nan 4.420 nan 0.000 0.217 452 P C 0.730 178.079 177.300 0.081 0.000 1.148 452 P CA 1.495 64.638 63.100 0.072 0.000 0.828 452 P CB 0.045 31.768 31.700 0.038 0.000 0.783 453 D N -1.894 118.574 120.400 0.114 0.000 2.352 453 D HA 0.071 4.711 4.640 0.001 0.000 0.232 453 D C 1.429 177.775 176.300 0.076 0.000 1.055 453 D CA 0.641 54.699 54.000 0.097 0.000 0.891 453 D CB -1.087 39.789 40.800 0.127 0.000 0.897 453 D HN 0.246 nan 8.370 nan 0.000 0.529 454 G N 0.028 108.862 108.800 0.057 0.000 2.179 454 G HA2 -0.304 3.657 3.960 0.001 0.000 0.260 454 G HA3 -0.304 3.657 3.960 0.001 0.000 0.260 454 G C 0.458 175.317 174.900 -0.067 0.000 0.977 454 G CA 0.490 45.595 45.100 0.009 0.000 0.641 454 G HN 0.819 nan 8.290 nan 0.000 0.533 455 S N -0.156 115.471 115.700 -0.121 0.000 2.614 455 S HA 0.777 5.247 4.470 0.001 0.000 0.265 455 S C 0.425 174.687 174.600 -0.563 0.000 1.303 455 S CA 0.412 58.394 58.200 -0.363 0.000 1.000 455 S CB 2.059 64.962 63.200 -0.495 0.000 0.935 455 S HN 1.889 nan 8.310 nan 0.000 0.551 456 A N 0.573 122.867 122.820 -0.877 0.000 2.325 456 A HA 0.758 5.079 4.320 0.001 0.000 0.333 456 A C -0.586 176.423 177.584 -0.958 0.000 1.155 456 A CA -0.861 50.561 52.037 -1.025 0.000 0.814 456 A CB 1.223 19.230 19.000 -1.655 0.000 1.206 456 A HN 1.312 nan 8.150 nan 0.000 0.482 457 V N 3.024 122.599 119.914 -0.565 0.000 2.638 457 V HA 0.662 4.783 4.120 0.001 0.000 0.306 457 V C -1.346 174.691 176.094 -0.094 0.000 1.052 457 V CA -0.341 61.801 62.300 -0.264 0.000 0.885 457 V CB 1.851 33.647 31.823 -0.046 0.000 0.999 457 V HN 0.784 nan 8.190 nan 0.000 0.424 458 V N 6.871 126.825 119.914 0.067 0.000 2.577 458 V HA 0.541 4.661 4.120 0.001 0.000 0.303 458 V C -0.463 175.741 176.094 0.182 0.000 1.042 458 V CA -0.572 61.825 62.300 0.163 0.000 0.872 458 V CB 2.081 34.071 31.823 0.277 0.000 0.998 458 V HN 0.685 nan 8.190 nan 0.000 0.423 459 V N 5.455 125.422 119.914 0.089 0.000 2.435 459 V HA 0.606 4.727 4.120 0.001 0.000 0.290 459 V C -0.339 175.809 176.094 0.090 0.000 1.030 459 V CA -0.570 61.730 62.300 0.001 0.000 0.881 459 V CB 1.944 33.584 31.823 -0.305 0.000 0.983 459 V HN 0.600 nan 8.190 nan 0.000 0.445 460 V N 5.858 125.844 119.914 0.119 0.000 2.443 460 V HA 0.451 4.572 4.120 0.001 0.000 0.293 460 V C -0.638 175.497 176.094 0.068 0.000 1.021 460 V CA -0.538 61.835 62.300 0.122 0.000 0.848 460 V CB 1.702 33.631 31.823 0.178 0.000 0.998 460 V HN 0.674 nan 8.190 nan 0.000 0.424 461 L N 4.611 125.893 121.223 0.098 0.000 2.296 461 L HA 0.622 4.963 4.340 0.001 0.000 0.286 461 L C -0.112 176.826 176.870 0.113 0.000 1.023 461 L CA 0.130 55.045 54.840 0.125 0.000 0.812 461 L CB 1.443 43.627 42.059 0.208 0.000 1.223 461 L HN 0.613 nan 8.230 nan 0.000 0.421 462 N N 4.000 122.763 118.700 0.104 0.000 2.485 462 N HA 0.263 5.004 4.740 0.001 0.000 0.243 462 N C 0.580 176.181 175.510 0.152 0.000 0.987 462 N CA -0.050 53.046 53.050 0.077 0.000 0.940 462 N CB 0.916 39.405 38.487 0.003 0.000 1.122 462 N HN 0.673 nan 8.380 nan 0.000 0.509 463 R N 0.539 121.124 120.500 0.141 0.000 2.240 463 R HA 0.028 4.368 4.340 0.001 0.000 0.203 463 R C 0.892 177.302 176.300 0.184 0.000 1.011 463 R CA 0.216 56.435 56.100 0.200 0.000 1.007 463 R CB 0.126 30.496 30.300 0.118 0.000 0.911 463 R HN 0.586 nan 8.270 nan 0.000 0.468 464 S N -0.514 115.194 115.700 0.012 0.000 2.624 464 S HA 0.026 4.497 4.470 0.001 0.000 0.263 464 S C 1.171 175.447 174.600 -0.541 0.000 1.287 464 S CA -0.211 57.919 58.200 -0.116 0.000 0.990 464 S CB 1.658 64.811 63.200 -0.078 0.000 0.950 464 S HN 0.190 nan 8.310 nan 0.000 0.561 465 S N -0.636 114.760 115.700 -0.507 0.000 2.593 465 S HA 0.237 4.708 4.470 0.001 0.000 0.217 465 S C 0.698 175.095 174.600 -0.339 0.000 0.966 465 S CA 0.171 57.954 58.200 -0.694 0.000 0.914 465 S CB -0.938 62.118 63.200 -0.240 0.000 0.776 465 S HN 1.154 nan 8.310 nan 0.000 0.523 466 K N 1.791 122.060 120.400 -0.219 0.000 2.172 466 K HA 0.439 4.760 4.320 0.001 0.000 0.276 466 K C -0.705 175.828 176.600 -0.113 0.000 1.013 466 K CA -0.698 55.514 56.287 -0.125 0.000 0.913 466 K CB -0.121 32.334 32.500 -0.075 0.000 1.055 466 K HN 0.315 nan 8.250 nan 0.000 0.461 467 D N 1.300 121.652 120.400 -0.079 0.000 2.425 467 D HA 0.189 4.829 4.640 0.001 0.000 0.247 467 D C -0.452 175.824 176.300 -0.041 0.000 1.147 467 D CA 0.012 53.978 54.000 -0.056 0.000 0.879 467 D CB 1.266 42.047 40.800 -0.032 0.000 1.179 467 D HN 0.186 nan 8.370 nan 0.000 0.456 468 V N 5.383 125.274 119.914 -0.038 0.000 2.304 468 V HA 0.226 4.347 4.120 0.001 0.000 0.278 468 V C -2.085 174.001 176.094 -0.014 0.000 1.018 468 V CA -1.618 60.666 62.300 -0.026 0.000 0.814 468 V CB 1.386 33.192 31.823 -0.028 0.000 1.021 468 V HN 0.418 nan 8.190 nan 0.000 0.440 469 P HA 0.326 nan 4.420 nan 0.000 0.268 469 P C -0.754 176.539 177.300 -0.012 0.000 1.205 469 P CA 0.109 63.210 63.100 0.002 0.000 0.771 469 P CB 1.144 32.849 31.700 0.009 0.000 0.858 470 L N -0.730 120.476 121.223 -0.029 0.000 2.600 470 L HA 0.797 5.138 4.340 0.001 0.000 0.257 470 L C -1.128 175.669 176.870 -0.122 0.000 1.048 470 L CA -0.775 54.026 54.840 -0.065 0.000 0.869 470 L CB 1.837 43.853 42.059 -0.071 0.000 1.482 470 L HN 0.122 nan 8.230 nan 0.000 0.408 471 T N 1.160 115.609 114.554 -0.174 0.000 2.863 471 T HA 0.697 5.048 4.350 0.001 0.000 0.285 471 T C -0.482 174.067 174.700 -0.250 0.000 1.009 471 T CA -0.300 61.645 62.100 -0.257 0.000 0.989 471 T CB 1.801 70.389 68.868 -0.467 0.000 1.004 471 T HN 0.492 nan 8.240 nan 0.000 0.455 472 I N 2.330 122.710 120.570 -0.318 0.000 2.378 472 I HA 0.427 4.598 4.170 0.001 0.000 0.291 472 I C 0.089 176.032 176.117 -0.291 0.000 0.992 472 I CA -0.771 60.344 61.300 -0.307 0.000 1.154 472 I CB 1.592 39.320 38.000 -0.454 0.000 1.315 472 I HN 0.339 nan 8.210 nan 0.000 0.448 473 K N 5.318 125.587 120.400 -0.218 0.000 2.265 473 K HA 0.250 4.571 4.320 0.001 0.000 0.267 473 K C -1.151 175.291 176.600 -0.263 0.000 0.994 473 K CA -0.531 55.535 56.287 -0.368 0.000 0.860 473 K CB 1.179 33.518 32.500 -0.267 0.000 1.099 473 K HN 0.448 nan 8.250 nan 0.000 0.448 474 D N 6.500 126.716 120.400 -0.308 0.000 2.427 474 D HA 0.188 4.829 4.640 0.001 0.000 0.226 474 D C -1.603 174.596 176.300 -0.170 0.000 1.076 474 D CA -2.444 51.505 54.000 -0.084 0.000 0.849 474 D CB 1.778 42.639 40.800 0.101 0.000 1.052 474 D HN 0.346 nan 8.370 nan 0.000 0.515 475 P HA -0.116 nan 4.420 nan 0.000 0.222 475 P C 1.065 178.324 177.300 -0.068 0.000 1.147 475 P CA 0.602 63.635 63.100 -0.112 0.000 0.790 475 P CB 0.318 31.987 31.700 -0.051 0.000 0.780 476 A N -0.220 122.586 122.820 -0.024 0.000 1.877 476 A HA -0.095 4.226 4.320 0.001 0.000 0.216 476 A C 2.258 179.839 177.584 -0.004 0.000 1.186 476 A CA 2.340 54.380 52.037 0.005 0.000 0.620 476 A CB -1.109 17.918 19.000 0.044 0.000 0.822 476 A HN 0.153 nan 8.150 nan 0.000 0.443 477 V N -3.204 116.694 119.914 -0.026 0.000 3.137 477 V HA 0.537 4.658 4.120 0.001 0.000 0.236 477 V C 1.107 177.153 176.094 -0.080 0.000 1.260 477 V CA 0.742 63.041 62.300 -0.002 0.000 1.244 477 V CB -0.147 31.737 31.823 0.101 0.000 1.016 477 V HN 1.137 nan 8.190 nan 0.000 0.477 478 G N -0.025 108.637 108.800 -0.230 0.000 2.320 478 G HA2 0.201 4.162 3.960 0.001 0.000 0.274 478 G HA3 0.201 4.162 3.960 0.001 0.000 0.274 478 G C -1.835 172.755 174.900 -0.516 0.000 1.324 478 G CA -0.730 44.203 45.100 -0.277 0.000 0.957 478 G HN 0.019 nan 8.290 nan 0.000 0.481 479 F N -0.375 119.479 119.950 -0.160 0.000 2.520 479 F HA 0.742 5.270 4.527 0.001 0.000 0.322 479 F C -0.105 175.525 175.800 -0.285 0.000 1.103 479 F CA -0.799 57.063 58.000 -0.230 0.000 0.926 479 F CB 2.161 41.071 39.000 -0.150 0.000 1.154 479 F HN 0.279 nan 8.300 nan 0.000 0.453 480 L N 3.767 124.815 121.223 -0.292 0.000 2.280 480 L HA 0.395 4.736 4.340 0.001 0.000 0.287 480 L C -0.276 176.401 176.870 -0.321 0.000 1.023 480 L CA -0.515 54.050 54.840 -0.457 0.000 0.819 480 L CB 0.869 42.277 42.059 -1.085 0.000 1.212 480 L HN 0.417 nan 8.230 nan 0.000 0.420 481 E N 2.158 122.295 120.200 -0.105 0.000 2.167 481 E HA 0.551 4.901 4.350 0.001 0.000 0.284 481 E C -0.149 176.447 176.600 -0.006 0.000 1.016 481 E CA -0.077 56.295 56.400 -0.047 0.000 0.817 481 E CB 2.040 31.763 29.700 0.037 0.000 1.080 481 E HN 0.532 nan 8.360 nan 0.000 0.397 482 T N 1.752 116.285 114.554 -0.035 0.000 2.671 482 T HA 0.658 5.009 4.350 0.001 0.000 0.300 482 T C -1.675 173.067 174.700 0.070 0.000 1.238 482 T CA -0.608 61.527 62.100 0.059 0.000 1.020 482 T CB 1.187 70.061 68.868 0.010 0.000 1.503 482 T HN 0.374 nan 8.240 nan 0.000 0.497 483 I N 1.296 121.954 120.570 0.146 0.000 2.619 483 I HA 0.718 4.889 4.170 0.001 0.000 0.292 483 I C -0.991 175.192 176.117 0.110 0.000 1.100 483 I CA -0.159 61.200 61.300 0.098 0.000 1.043 483 I CB 2.298 40.349 38.000 0.086 0.000 1.239 483 I HN 0.458 nan 8.210 nan 0.000 0.420 484 S N 8.527 124.220 115.700 -0.012 0.000 2.488 484 S HA 0.644 5.114 4.470 0.001 0.000 0.310 484 S C -2.597 171.936 174.600 -0.113 0.000 1.093 484 S CA -1.529 56.571 58.200 -0.167 0.000 1.129 484 S CB 0.313 63.431 63.200 -0.137 0.000 0.989 484 S HN 0.449 nan 8.310 nan 0.000 0.479 485 P HA 0.174 nan 4.420 nan 0.000 0.268 485 P C 0.551 177.805 177.300 -0.076 0.000 1.208 485 P CA 0.037 63.110 63.100 -0.046 0.000 0.777 485 P CB 0.211 31.916 31.700 0.009 0.000 0.875 486 G N 1.424 110.151 108.800 -0.122 0.000 2.484 486 G HA2 0.039 3.999 3.960 0.001 0.000 0.235 486 G HA3 0.039 3.999 3.960 0.001 0.000 0.235 486 G C -0.635 174.164 174.900 -0.169 0.000 1.282 486 G CA -0.359 44.578 45.100 -0.273 0.000 0.857 486 G HN 0.586 nan 8.290 nan 0.000 0.571 487 Y N -0.405 119.974 120.300 0.131 0.000 3.001 487 Y HA -0.240 4.310 4.550 0.001 0.000 0.199 487 Y C 1.173 177.231 175.900 0.262 0.000 1.320 487 Y CA 0.370 58.639 58.100 0.281 0.000 0.974 487 Y CB -1.920 36.621 38.460 0.136 0.000 1.291 487 Y HN 0.840 nan 8.280 nan 0.000 0.465 488 S N 0.045 115.958 115.700 0.356 0.000 2.599 488 S HA 0.874 5.345 4.470 0.001 0.000 0.287 488 S C -0.767 173.977 174.600 0.239 0.000 1.105 488 S CA -1.015 57.361 58.200 0.294 0.000 0.899 488 S CB 3.201 66.443 63.200 0.070 0.000 1.100 488 S HN 0.434 nan 8.310 nan 0.000 0.482 489 I N 1.169 121.833 120.570 0.155 0.000 2.545 489 I HA 0.550 4.721 4.170 0.001 0.000 0.292 489 I C -1.311 174.740 176.117 -0.110 0.000 1.040 489 I CA -0.627 60.600 61.300 -0.121 0.000 1.068 489 I CB 1.608 39.350 38.000 -0.430 0.000 1.251 489 I HN 0.880 nan 8.210 nan 0.000 0.424 490 H N 4.298 123.234 119.070 -0.223 0.000 2.600 490 H HA 0.429 4.986 4.556 0.001 0.000 0.357 490 H C -1.098 174.141 175.328 -0.148 0.000 1.106 490 H CA -0.953 54.993 56.048 -0.170 0.000 1.193 490 H CB 2.307 31.966 29.762 -0.171 0.000 1.594 490 H HN 0.424 nan 8.280 nan 0.000 0.526 491 T N 3.200 117.743 114.554 -0.018 0.000 2.792 491 T HA 0.264 4.615 4.350 0.001 0.000 0.280 491 T C -0.964 173.549 174.700 -0.312 0.000 0.990 491 T CA -0.615 61.411 62.100 -0.123 0.000 0.960 491 T CB 0.417 69.164 68.868 -0.202 0.000 0.939 491 T HN 0.291 nan 8.240 nan 0.000 0.439 492 Y N 2.395 122.726 120.300 0.052 0.000 2.387 492 Y HA 0.705 5.255 4.550 0.001 0.000 0.336 492 Y C 0.084 176.071 175.900 0.146 0.000 1.067 492 Y CA -1.178 57.011 58.100 0.148 0.000 1.114 492 Y CB 1.195 39.772 38.460 0.195 0.000 1.208 492 Y HN 0.353 nan 8.280 nan 0.000 0.458 493 L N 3.131 124.575 121.223 0.369 0.000 2.436 493 L HA 0.540 4.881 4.340 0.001 0.000 0.268 493 L C -1.514 175.567 176.870 0.352 0.000 0.974 493 L CA -0.739 54.175 54.840 0.123 0.000 0.826 493 L CB 1.967 44.026 42.059 -0.000 0.000 1.291 493 L HN 0.858 nan 8.230 nan 0.000 0.406 494 W N 1.206 122.432 121.300 -0.122 0.000 3.363 494 W HA 0.473 5.134 4.660 0.001 0.000 0.306 494 W C -1.273 175.095 176.519 -0.251 0.000 1.253 494 W CA -0.762 56.521 57.345 -0.102 0.000 1.195 494 W CB 0.465 29.955 29.460 0.051 0.000 1.366 494 W HN 0.297 nan 8.180 nan 0.000 0.551 495 H N 3.188 122.341 119.070 0.139 0.000 2.848 495 H HA 0.240 4.797 4.556 0.001 0.000 0.317 495 H C 0.827 176.245 175.328 0.152 0.000 1.046 495 H CA 0.411 56.493 56.048 0.056 0.000 1.470 495 H CB 1.438 31.244 29.762 0.073 0.000 1.483 495 H HN 0.593 nan 8.280 nan 0.000 0.548 496 R N 1.737 122.322 120.500 0.143 0.000 2.237 496 R HA 0.006 4.346 4.340 0.001 0.000 0.195 496 R C 0.155 176.538 176.300 0.137 0.000 0.956 496 R CA -0.121 56.087 56.100 0.181 0.000 1.029 496 R CB 0.169 30.526 30.300 0.094 0.000 0.972 496 R HN 0.393 nan 8.270 nan 0.000 0.493 497 Q N 1.876 121.748 119.800 0.120 0.000 2.504 497 Q HA 0.114 4.454 4.340 0.001 0.000 0.263 497 Q C -0.098 175.960 176.000 0.096 0.000 1.343 497 Q CA 0.905 56.765 55.803 0.096 0.000 0.924 497 Q CB -0.672 28.122 28.738 0.094 0.000 1.551 497 Q HN 0.365 nan 8.270 nan 0.000 0.520 498 L N 0.000 121.275 121.223 0.087 0.000 2.949 498 L HA 0.000 4.341 4.340 0.001 0.000 0.249 498 L CA 0.000 nan 54.840 nan 0.000 0.813 498 L CB 0.000 nan 42.059 nan 0.000 0.961 498 L HN 0.000 nan 8.230 nan 0.000 0.502