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 3b60_1_C DATA FIRST_RESID 10 DATA SEQUENCE WQTFRRLWPT IAPFKAGLIV AGIALILNAA SDTFMLSLLK PLLDDGFGKT DATA SEQUENCE DRSVLLWMPL VVIGLMILRG ITSYISSYCI SWVSGKVVMT MRRRLFGHMM DATA SEQUENCE GMPVAFFDKQ STGTLLSRIT YDSEQVASSS SGALITVVRE GASIIGLFIM DATA SEQUENCE MFYYSWQLSI ILVVLAPIVS IAIRVVSKRF RSISKNMQNT MGQVTTSAEQ DATA SEQUENCE MLKGHKEVLI FGGQEVETKR FDKVSNKMRL QGMKMVSASS ISDPIIQLIA DATA SEQUENCE SLALAFVLYA ASFPSVMDSL TAGTITVVFS SMIALMRPLK SLTNVNAQFQ DATA SEQUENCE RGMAACQTLF AILDSEQEKD EGKRVIDRAT GDLEFRNVTF TYPGREVPAL DATA SEQUENCE RNINLKIPAG KTVALVGRSG SGKSTIASLI TRFYDIDEGH ILMDGHDLRE DATA SEQUENCE YTLASLRNQV ALVSQNVHLF NDTVANNIAY ARTEEYSREQ IEEAARMAYA DATA SEQUENCE MDFINKMDNG LDTIIGENGV LLSGGQRQRI AIARALLRDS PILILDEATS DATA SEQUENCE ALDTESERAI QAALDELQKN RTSLVIAHRL STIEQADEIV VVEDGIIVER DATA SEQUENCE GTHSELLAQH GVYAQLHKMQ FG 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 10 W HA 0.000 nan 4.660 nan 0.000 0.303 10 W C 0.000 176.705 176.519 0.310 0.000 1.175 10 W CA 0.000 57.475 57.345 0.217 0.000 1.226 10 W CB 0.000 29.536 29.460 0.126 0.000 1.126 11 Q N -0.317 118.928 119.800 -0.926 0.000 1.097 11 Q HA -0.394 3.946 4.340 0.000 0.000 0.315 11 Q C 1.234 177.032 176.000 -0.337 0.000 1.024 11 Q CA 3.181 58.492 55.803 -0.820 0.000 0.655 11 Q CB -1.503 27.042 28.738 -0.322 0.000 4.546 11 Q HN 1.087 nan 8.270 nan 0.000 0.464 12 T N -0.742 113.635 114.554 -0.295 0.000 2.594 12 T HA -0.262 4.088 4.350 0.000 0.000 0.266 12 T C 1.603 176.254 174.700 -0.082 0.000 1.070 12 T CA 2.735 64.719 62.100 -0.193 0.000 1.166 12 T CB -0.961 67.672 68.868 -0.391 0.000 0.862 12 T HN 0.408 nan 8.240 nan 0.000 0.436 13 F N 2.681 122.683 119.950 0.087 0.000 2.065 13 F HA -0.025 4.502 4.527 0.000 0.000 0.298 13 F C 2.891 178.786 175.800 0.159 0.000 1.112 13 F CA 1.452 59.532 58.000 0.133 0.000 1.212 13 F CB -1.080 38.041 39.000 0.200 0.000 0.975 13 F HN 0.114 nan 8.300 nan 0.000 0.476 14 R N 1.326 122.009 120.500 0.306 0.000 2.094 14 R HA -0.211 4.129 4.340 0.000 0.000 0.239 14 R C 2.208 178.631 176.300 0.205 0.000 1.137 14 R CA 2.005 58.221 56.100 0.192 0.000 0.943 14 R CB -0.857 29.365 30.300 -0.131 0.000 0.850 14 R HN 0.270 nan 8.270 nan 0.000 0.433 15 R N -0.129 120.432 120.500 0.103 0.000 2.249 15 R HA -0.099 4.241 4.340 0.000 0.000 0.230 15 R C 2.111 178.613 176.300 0.337 0.000 1.121 15 R CA 1.456 57.618 56.100 0.102 0.000 0.997 15 R CB -0.296 29.977 30.300 -0.044 0.000 0.867 15 R HN 0.458 nan 8.270 nan 0.000 0.465 16 L N -0.737 120.798 121.223 0.521 0.000 2.249 16 L HA -0.038 4.302 4.340 0.000 0.000 0.207 16 L C 1.801 178.864 176.870 0.321 0.000 1.090 16 L CA 0.444 55.596 54.840 0.520 0.000 0.802 16 L CB -0.245 41.918 42.059 0.174 0.000 0.947 16 L HN 0.293 nan 8.230 nan 0.000 0.453 17 W N 2.136 123.534 121.300 0.163 0.000 2.331 17 W HA -0.151 4.509 4.660 0.000 0.000 0.291 17 W C -1.009 175.567 176.519 0.096 0.000 1.214 17 W CA 1.422 58.843 57.345 0.127 0.000 1.228 17 W CB -1.479 28.058 29.460 0.128 0.000 1.135 17 W HN 0.128 nan 8.180 nan 0.000 0.537 18 P HA -0.228 nan 4.420 nan 0.000 0.215 18 P C 1.758 178.898 177.300 -0.267 0.000 1.157 18 P CA 3.571 66.546 63.100 -0.208 0.000 0.874 18 P CB -0.606 31.062 31.700 -0.054 0.000 0.790 19 T N -4.005 110.483 114.554 -0.110 0.000 3.035 19 T HA -0.006 4.344 4.350 0.000 0.000 0.268 19 T C 1.620 176.275 174.700 -0.075 0.000 1.109 19 T CA 0.700 62.753 62.100 -0.078 0.000 1.119 19 T CB -0.748 68.147 68.868 0.045 0.000 0.900 19 T HN -0.058 nan 8.240 nan 0.000 0.503 20 I N 1.325 121.819 120.570 -0.127 0.000 2.867 20 I HA 0.212 4.382 4.170 0.000 0.000 0.265 20 I C 3.031 179.010 176.117 -0.230 0.000 1.162 20 I CA 0.643 61.917 61.300 -0.043 0.000 1.471 20 I CB -1.571 36.448 38.000 0.032 0.000 1.123 20 I HN 0.315 nan 8.210 nan 0.000 0.440 21 A N 2.806 125.234 122.820 -0.653 0.000 1.863 21 A HA -0.201 4.119 4.320 0.000 0.000 0.218 21 A C -0.042 177.314 177.584 -0.379 0.000 1.233 21 A CA 2.258 53.845 52.037 -0.751 0.000 0.655 21 A CB -2.303 16.081 19.000 -1.027 0.000 0.839 21 A HN 0.249 nan 8.150 nan 0.000 0.454 22 P HA -0.129 nan 4.420 nan 0.000 0.223 22 P C 0.320 177.362 177.300 -0.431 0.000 1.140 22 P CA 1.064 63.869 63.100 -0.492 0.000 0.783 22 P CB -0.133 31.140 31.700 -0.711 0.000 0.759 23 F N -1.129 118.829 119.950 0.012 0.000 2.661 23 F HA 0.186 4.713 4.527 0.000 0.000 0.306 23 F C 1.782 177.739 175.800 0.262 0.000 1.094 23 F CA -0.482 57.625 58.000 0.179 0.000 1.254 23 F CB -0.572 38.378 39.000 -0.085 0.000 1.040 23 F HN -0.077 nan 8.300 nan 0.000 0.562 24 K N 0.471 121.024 120.400 0.254 0.000 2.360 24 K HA -0.082 4.238 4.320 0.000 0.000 0.201 24 K C 1.913 178.637 176.600 0.207 0.000 1.046 24 K CA 1.249 57.678 56.287 0.236 0.000 0.940 24 K CB -0.487 32.142 32.500 0.215 0.000 0.748 24 K HN 0.165 nan 8.250 nan 0.000 0.465 25 A N 1.730 124.663 122.820 0.188 0.000 2.019 25 A HA -0.047 4.273 4.320 0.000 0.000 0.219 25 A C 2.409 180.003 177.584 0.016 0.000 1.164 25 A CA 1.600 53.681 52.037 0.073 0.000 0.644 25 A CB -0.998 18.004 19.000 0.004 0.000 0.805 25 A HN 0.564 nan 8.150 nan 0.000 0.449 26 G N -0.496 108.361 108.800 0.095 0.000 2.396 26 G HA2 -0.065 3.895 3.960 0.000 0.000 0.214 26 G HA3 -0.065 3.895 3.960 0.000 0.000 0.214 26 G C 1.538 176.473 174.900 0.057 0.000 1.166 26 G CA 0.743 45.854 45.100 0.018 0.000 0.793 26 G HN 0.454 nan 8.290 nan 0.000 0.533 27 L N 0.139 121.445 121.223 0.140 0.000 1.989 27 L HA -0.044 4.296 4.340 0.000 0.000 0.211 27 L C 2.661 179.583 176.870 0.087 0.000 1.071 27 L CA 1.512 56.426 54.840 0.123 0.000 0.749 27 L CB -0.196 41.970 42.059 0.178 0.000 0.890 27 L HN 0.276 nan 8.230 nan 0.000 0.431 28 I N -1.093 119.531 120.570 0.089 0.000 2.179 28 I HA -0.277 3.893 4.170 0.000 0.000 0.242 28 I C 2.253 178.399 176.117 0.049 0.000 1.088 28 I CA 1.293 62.634 61.300 0.068 0.000 1.357 28 I CB 0.083 38.125 38.000 0.070 0.000 1.051 28 I HN 0.073 nan 8.210 nan 0.000 0.409 29 V N 1.338 121.275 119.914 0.039 0.000 2.568 29 V HA -0.287 3.833 4.120 0.000 0.000 0.253 29 V C 2.544 178.672 176.094 0.057 0.000 1.072 29 V CA 1.791 64.123 62.300 0.054 0.000 1.084 29 V CB -1.128 30.745 31.823 0.084 0.000 0.676 29 V HN 0.596 nan 8.190 nan 0.000 0.469 30 A N 0.187 123.021 122.820 0.024 0.000 1.975 30 A HA 0.124 4.444 4.320 0.000 0.000 0.215 30 A C 2.350 179.954 177.584 0.033 0.000 1.170 30 A CA 1.296 53.346 52.037 0.020 0.000 0.656 30 A CB -0.719 18.277 19.000 -0.005 0.000 0.821 30 A HN 0.501 nan 8.150 nan 0.000 0.449 31 G N -0.167 108.655 108.800 0.037 0.000 2.448 31 G HA2 -0.032 3.928 3.960 0.000 0.000 0.218 31 G HA3 -0.032 3.928 3.960 0.000 0.000 0.218 31 G C 1.279 176.197 174.900 0.030 0.000 1.135 31 G CA 0.914 46.035 45.100 0.034 0.000 0.784 31 G HN 0.351 nan 8.290 nan 0.000 0.543 32 I N 1.582 122.172 120.570 0.033 0.000 2.617 32 I HA 0.029 4.199 4.170 0.000 0.000 0.256 32 I C 3.051 179.184 176.117 0.027 0.000 1.167 32 I CA 0.903 62.219 61.300 0.028 0.000 1.469 32 I CB -1.003 37.014 38.000 0.028 0.000 1.098 32 I HN 0.233 nan 8.210 nan 0.000 0.436 33 A N 0.895 123.736 122.820 0.036 0.000 1.929 33 A HA -0.125 4.195 4.320 0.000 0.000 0.216 33 A C 2.408 180.010 177.584 0.029 0.000 1.176 33 A CA 0.882 52.941 52.037 0.037 0.000 0.628 33 A CB -0.647 18.385 19.000 0.054 0.000 0.816 33 A HN 0.365 nan 8.150 nan 0.000 0.444 34 L N -0.730 120.510 121.223 0.028 0.000 1.976 34 L HA -0.204 4.136 4.340 0.000 0.000 0.209 34 L C 2.405 179.287 176.870 0.020 0.000 1.071 34 L CA 1.740 56.594 54.840 0.024 0.000 0.746 34 L CB -0.375 41.697 42.059 0.022 0.000 0.890 34 L HN 0.339 nan 8.230 nan 0.000 0.432 35 I N -0.104 120.477 120.570 0.018 0.000 2.113 35 I HA -0.364 3.806 4.170 0.000 0.000 0.242 35 I C 2.316 178.441 176.117 0.014 0.000 1.064 35 I CA 1.511 62.821 61.300 0.016 0.000 1.320 35 I CB -0.615 37.394 38.000 0.014 0.000 1.028 35 I HN 0.187 nan 8.210 nan 0.000 0.406 36 L N -0.077 121.151 121.223 0.009 0.000 2.127 36 L HA -0.233 4.107 4.340 0.000 0.000 0.211 36 L C 2.061 178.931 176.870 -0.001 0.000 1.089 36 L CA 1.788 56.627 54.840 -0.002 0.000 0.757 36 L CB -1.067 40.988 42.059 -0.006 0.000 0.899 36 L HN 0.358 nan 8.230 nan 0.000 0.434 37 N N -1.344 117.363 118.700 0.012 0.000 2.354 37 N HA -0.087 4.653 4.740 0.000 0.000 0.179 37 N C 1.854 177.378 175.510 0.024 0.000 1.021 37 N CA 0.636 53.696 53.050 0.017 0.000 0.887 37 N CB 0.075 38.575 38.487 0.023 0.000 0.974 37 N HN 0.370 nan 8.380 nan 0.000 0.437 38 A N 1.215 124.050 122.820 0.025 0.000 1.902 38 A HA -0.031 4.289 4.320 0.000 0.000 0.217 38 A C 2.295 179.913 177.584 0.057 0.000 1.181 38 A CA 1.638 53.695 52.037 0.034 0.000 0.623 38 A CB -0.696 18.320 19.000 0.027 0.000 0.818 38 A HN 0.337 nan 8.150 nan 0.000 0.443 39 A N -0.890 121.960 122.820 0.051 0.000 1.933 39 A HA -0.088 4.232 4.320 0.000 0.000 0.218 39 A C 2.441 180.083 177.584 0.097 0.000 1.175 39 A CA 2.030 54.117 52.037 0.084 0.000 0.628 39 A CB -0.924 18.084 19.000 0.013 0.000 0.814 39 A HN 0.566 nan 8.150 nan 0.000 0.444 40 S N -0.369 115.343 115.700 0.020 0.000 2.442 40 S HA -0.157 4.313 4.470 0.000 0.000 0.236 40 S C 1.330 175.991 174.600 0.101 0.000 1.007 40 S CA 1.613 59.825 58.200 0.019 0.000 0.965 40 S CB -0.498 62.701 63.200 -0.002 0.000 0.773 40 S HN 0.575 nan 8.310 nan 0.000 0.504 41 D N 0.653 121.114 120.400 0.101 0.000 2.162 41 D HA -0.014 4.626 4.640 0.000 0.000 0.205 41 D C 2.372 178.742 176.300 0.117 0.000 0.964 41 D CA 1.672 55.727 54.000 0.091 0.000 0.847 41 D CB -0.983 39.852 40.800 0.057 0.000 0.988 41 D HN 0.641 nan 8.370 nan 0.000 0.480 42 T N -1.273 113.377 114.554 0.160 0.000 2.833 42 T HA -0.153 4.197 4.350 0.000 0.000 0.269 42 T C 1.881 176.643 174.700 0.104 0.000 1.054 42 T CA 0.803 62.975 62.100 0.120 0.000 1.135 42 T CB -0.580 68.367 68.868 0.131 0.000 0.869 42 T HN -0.035 nan 8.240 nan 0.000 0.466 43 F N 0.827 120.778 119.950 0.003 0.000 2.234 43 F HA 0.338 4.865 4.527 0.000 0.000 0.296 43 F C 2.489 178.290 175.800 0.002 0.000 1.089 43 F CA 0.320 58.323 58.000 0.006 0.000 1.343 43 F CB -0.504 38.513 39.000 0.029 0.000 1.040 43 F HN 0.039 nan 8.300 nan 0.000 0.498 44 M N -0.436 119.279 119.600 0.191 0.000 2.296 44 M HA -0.114 4.366 4.480 0.000 0.000 0.265 44 M C 2.287 178.617 176.300 0.050 0.000 1.064 44 M CA 1.165 56.528 55.300 0.106 0.000 1.109 44 M CB -1.212 31.439 32.600 0.085 0.000 1.396 44 M HN 0.254 nan 8.290 nan 0.000 0.430 45 L N -0.790 120.452 121.223 0.032 0.000 2.209 45 L HA -0.008 4.332 4.340 0.000 0.000 0.207 45 L C 1.306 178.150 176.870 -0.044 0.000 1.094 45 L CA 0.716 55.553 54.840 -0.006 0.000 0.790 45 L CB 0.023 42.075 42.059 -0.011 0.000 0.932 45 L HN 0.069 nan 8.230 nan 0.000 0.447 46 S N 0.751 116.408 115.700 -0.071 0.000 2.942 46 S HA 0.107 4.577 4.470 0.000 0.000 0.244 46 S C 0.874 175.384 174.600 -0.150 0.000 1.011 46 S CA 0.139 58.251 58.200 -0.146 0.000 1.102 46 S CB 0.039 63.083 63.200 -0.260 0.000 0.812 46 S HN 0.388 nan 8.310 nan 0.000 0.486 47 L N -0.845 120.324 121.223 -0.090 0.000 2.598 47 L HA 0.206 4.546 4.340 0.000 0.000 0.284 47 L C 0.911 177.755 176.870 -0.043 0.000 1.073 47 L CA 0.482 55.268 54.840 -0.090 0.000 1.361 47 L CB -0.839 41.204 42.059 -0.026 0.000 2.544 47 L HN 0.204 nan 8.230 nan 0.000 0.561 48 L N 1.046 122.260 121.223 -0.015 0.000 2.027 48 L HA -0.104 4.236 4.340 0.000 0.000 0.206 48 L C 2.481 179.345 176.870 -0.010 0.000 1.074 48 L CA 1.509 56.349 54.840 -0.001 0.000 0.745 48 L CB -1.032 41.034 42.059 0.011 0.000 0.898 48 L HN 0.299 nan 8.230 nan 0.000 0.433 49 K N 0.185 120.572 120.400 -0.021 0.000 2.062 49 K HA -0.100 4.220 4.320 0.000 0.000 0.205 49 K C -0.261 176.323 176.600 -0.026 0.000 1.051 49 K CA 0.957 57.232 56.287 -0.020 0.000 0.941 49 K CB -0.961 31.525 32.500 -0.024 0.000 0.719 49 K HN 0.170 nan 8.250 nan 0.000 0.440 50 P HA -0.092 nan 4.420 nan 0.000 0.214 50 P C 1.334 178.614 177.300 -0.032 0.000 1.162 50 P CA 1.052 64.120 63.100 -0.053 0.000 0.879 50 P CB 0.021 31.663 31.700 -0.096 0.000 0.786 51 L N -1.624 119.580 121.223 -0.031 0.000 2.633 51 L HA -0.111 4.229 4.340 0.000 0.000 0.235 51 L C 1.986 178.864 176.870 0.013 0.000 1.163 51 L CA 0.122 54.959 54.840 -0.005 0.000 0.859 51 L CB -0.557 41.505 42.059 0.005 0.000 0.973 51 L HN 0.046 nan 8.230 nan 0.000 0.451 52 L N 0.761 121.988 121.223 0.007 0.000 1.909 52 L HA -0.213 4.127 4.340 0.000 0.000 0.216 52 L C 1.978 178.862 176.870 0.023 0.000 1.097 52 L CA 2.528 57.377 54.840 0.014 0.000 0.777 52 L CB -0.456 41.607 42.059 0.007 0.000 0.887 52 L HN 0.388 nan 8.230 nan 0.000 0.432 53 D N -2.426 117.986 120.400 0.019 0.000 2.183 53 D HA -0.152 4.488 4.640 0.000 0.000 0.205 53 D C 1.437 177.762 176.300 0.041 0.000 0.962 53 D CA 0.836 54.852 54.000 0.026 0.000 0.849 53 D CB -0.507 40.303 40.800 0.016 0.000 0.978 53 D HN 0.389 nan 8.370 nan 0.000 0.488 54 D N -0.044 120.373 120.400 0.029 0.000 2.352 54 D HA 0.076 4.716 4.640 0.000 0.000 0.232 54 D C 2.082 178.411 176.300 0.048 0.000 1.055 54 D CA 0.556 54.577 54.000 0.035 0.000 0.891 54 D CB -0.265 40.538 40.800 0.004 0.000 0.897 54 D HN 0.252 nan 8.370 nan 0.000 0.529 55 G N 0.676 109.512 108.800 0.059 0.000 2.672 55 G HA2 -0.312 3.648 3.960 0.000 0.000 0.218 55 G HA3 -0.312 3.648 3.960 0.000 0.000 0.218 55 G C 0.667 175.624 174.900 0.096 0.000 1.238 55 G CA 0.281 45.422 45.100 0.069 0.000 0.791 55 G HN 0.416 nan 8.290 nan 0.000 0.606 56 F N 1.957 121.910 119.950 0.005 0.000 2.652 56 F HA 0.500 5.027 4.527 0.000 0.000 0.352 56 F C 1.137 176.939 175.800 0.004 0.000 1.259 56 F CA -0.073 57.932 58.000 0.007 0.000 1.249 56 F CB 0.225 39.229 39.000 0.006 0.000 1.628 56 F HN 0.144 nan 8.300 nan 0.000 0.654 57 G N 2.765 111.557 108.800 -0.014 0.000 4.260 57 G HA2 -0.016 3.944 3.960 0.000 0.000 0.164 57 G HA3 -0.016 3.944 3.960 0.000 0.000 0.164 57 G C 0.546 175.412 174.900 -0.057 0.000 0.955 57 G CA -0.350 44.749 45.100 -0.001 0.000 0.797 57 G HN 0.208 nan 8.290 nan 0.000 0.516 58 K N 1.541 121.899 120.400 -0.071 0.000 2.562 58 K HA 0.172 4.492 4.320 0.000 0.000 0.201 58 K C 0.824 177.387 176.600 -0.063 0.000 1.131 58 K CA 0.327 56.582 56.287 -0.055 0.000 1.059 58 K CB 0.644 33.123 32.500 -0.035 0.000 0.913 58 K HN 0.343 nan 8.250 nan 0.000 0.563 59 T N -0.358 114.111 114.554 -0.141 0.000 4.216 59 T HA 0.082 4.432 4.350 0.000 0.000 0.221 59 T C 0.279 174.913 174.700 -0.111 0.000 0.939 59 T CA 0.488 62.500 62.100 -0.146 0.000 1.218 59 T CB 0.073 68.765 68.868 -0.293 0.000 1.266 59 T HN 0.211 nan 8.240 nan 0.000 0.917 60 D N 1.948 122.325 120.400 -0.039 0.000 1.948 60 D HA -0.143 4.497 4.640 0.000 0.000 0.034 60 D C 1.671 177.989 176.300 0.031 0.000 1.448 60 D CA 0.186 54.175 54.000 -0.018 0.000 0.627 60 D CB -0.493 40.284 40.800 -0.039 0.000 3.227 60 D HN 0.457 nan 8.370 nan 0.000 0.192 61 R N 1.607 122.137 120.500 0.049 0.000 2.088 61 R HA -0.013 4.327 4.340 0.000 0.000 0.232 61 R C 2.292 178.739 176.300 0.245 0.000 1.136 61 R CA 2.393 58.560 56.100 0.112 0.000 0.926 61 R CB -1.062 29.304 30.300 0.111 0.000 0.837 61 R HN 0.128 nan 8.270 nan 0.000 0.429 62 S N 0.509 116.346 115.700 0.229 0.000 2.349 62 S HA -0.132 4.338 4.470 0.000 0.000 0.216 62 S C 2.113 176.908 174.600 0.325 0.000 1.033 62 S CA 1.478 59.858 58.200 0.300 0.000 1.021 62 S CB -0.454 62.761 63.200 0.025 0.000 0.968 62 S HN 0.240 nan 8.310 nan 0.000 0.426 63 V N 2.379 122.379 119.914 0.144 0.000 2.225 63 V HA -0.270 3.850 4.120 0.000 0.000 0.252 63 V C 2.444 178.612 176.094 0.124 0.000 1.055 63 V CA 2.567 64.932 62.300 0.108 0.000 1.032 63 V CB -0.916 30.935 31.823 0.046 0.000 0.655 63 V HN 0.604 nan 8.190 nan 0.000 0.458 64 L N -1.134 120.139 121.223 0.083 0.000 1.943 64 L HA -0.207 4.133 4.340 0.000 0.000 0.215 64 L C 2.366 179.251 176.870 0.025 0.000 1.074 64 L CA 2.042 56.909 54.840 0.045 0.000 0.759 64 L CB -0.389 41.680 42.059 0.017 0.000 0.888 64 L HN 0.393 nan 8.230 nan 0.000 0.433 65 L N -1.196 120.022 121.223 -0.008 0.000 2.349 65 L HA -0.196 4.144 4.340 0.000 0.000 0.220 65 L C 1.358 178.017 176.870 -0.351 0.000 1.130 65 L CA 1.683 56.407 54.840 -0.193 0.000 0.791 65 L CB -0.544 41.342 42.059 -0.287 0.000 0.918 65 L HN 0.339 nan 8.230 nan 0.000 0.444 66 W N -2.246 119.057 121.300 0.006 0.000 3.220 66 W HA 0.202 4.862 4.660 0.000 0.000 0.328 66 W C 2.094 178.623 176.519 0.016 0.000 1.205 66 W CA -0.038 57.316 57.345 0.015 0.000 1.773 66 W CB -0.208 29.262 29.460 0.017 0.000 1.086 66 W HN 0.063 nan 8.180 nan 0.000 0.622 67 M N 1.799 121.485 119.600 0.144 0.000 2.099 67 M HA -0.055 4.425 4.480 0.000 0.000 0.262 67 M C -1.083 175.253 176.300 0.060 0.000 1.067 67 M CA 1.922 57.279 55.300 0.095 0.000 1.124 67 M CB -1.162 31.473 32.600 0.059 0.000 1.353 67 M HN -0.255 nan 8.290 nan 0.000 0.410 68 P HA -0.067 nan 4.420 nan 0.000 0.234 68 P C 1.141 178.444 177.300 0.006 0.000 1.167 68 P CA 0.815 63.912 63.100 -0.004 0.000 0.763 68 P CB -0.044 31.631 31.700 -0.040 0.000 0.835 69 L N -1.504 119.743 121.223 0.040 0.000 2.529 69 L HA 0.092 4.432 4.340 0.000 0.000 0.223 69 L C 1.900 178.843 176.870 0.121 0.000 1.113 69 L CA 0.935 55.825 54.840 0.082 0.000 0.861 69 L CB -0.674 41.475 42.059 0.150 0.000 1.012 69 L HN -0.178 nan 8.230 nan 0.000 0.461 70 V N -1.628 118.355 119.914 0.116 0.000 2.379 70 V HA -0.126 3.994 4.120 0.000 0.000 0.243 70 V C 2.221 178.352 176.094 0.061 0.000 1.035 70 V CA 1.591 63.952 62.300 0.101 0.000 1.035 70 V CB 0.375 32.256 31.823 0.096 0.000 0.673 70 V HN 0.200 nan 8.190 nan 0.000 0.457 71 V N 0.282 120.223 119.914 0.045 0.000 2.490 71 V HA -0.187 3.933 4.120 0.000 0.000 0.250 71 V C 2.257 178.360 176.094 0.016 0.000 1.061 71 V CA 1.979 64.295 62.300 0.025 0.000 1.064 71 V CB -0.513 31.320 31.823 0.016 0.000 0.670 71 V HN 0.466 nan 8.190 nan 0.000 0.461 72 I N 1.049 121.628 120.570 0.016 0.000 2.400 72 I HA 0.070 4.240 4.170 0.000 0.000 0.248 72 I C 2.589 178.707 176.117 0.002 0.000 1.109 72 I CA 1.308 62.609 61.300 0.002 0.000 1.425 72 I CB -1.556 36.440 38.000 -0.006 0.000 1.094 72 I HN 0.224 nan 8.210 nan 0.000 0.425 73 G N 0.717 109.530 108.800 0.021 0.000 2.476 73 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 73 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 73 G C 1.791 176.692 174.900 0.001 0.000 1.164 73 G CA 1.130 46.236 45.100 0.010 0.000 0.768 73 G HN 0.353 nan 8.290 nan 0.000 0.560 74 L N -0.558 120.677 121.223 0.020 0.000 1.982 74 L HA 0.001 4.341 4.340 0.000 0.000 0.206 74 L C 3.002 179.876 176.870 0.007 0.000 1.078 74 L CA 1.016 55.866 54.840 0.017 0.000 0.749 74 L CB -0.217 41.859 42.059 0.027 0.000 0.894 74 L HN 0.095 nan 8.230 nan 0.000 0.436 75 M N 0.054 119.657 119.600 0.005 0.000 2.226 75 M HA -0.315 4.165 4.480 0.000 0.000 0.257 75 M C 2.299 178.595 176.300 -0.007 0.000 1.070 75 M CA 1.935 57.233 55.300 -0.003 0.000 1.087 75 M CB -1.449 31.146 32.600 -0.008 0.000 1.278 75 M HN 0.248 nan 8.290 nan 0.000 0.426 76 I N 0.172 120.734 120.570 -0.013 0.000 2.032 76 I HA -0.322 3.848 4.170 0.000 0.000 0.231 76 I C 2.627 178.734 176.117 -0.017 0.000 1.035 76 I CA 1.648 62.936 61.300 -0.019 0.000 1.312 76 I CB -1.443 36.539 38.000 -0.030 0.000 1.041 76 I HN 0.318 nan 8.210 nan 0.000 0.390 77 L N -0.369 120.836 121.223 -0.029 0.000 1.961 77 L HA -0.255 4.085 4.340 0.000 0.000 0.210 77 L C 2.768 179.636 176.870 -0.004 0.000 1.072 77 L CA 1.494 56.316 54.840 -0.030 0.000 0.749 77 L CB -0.770 41.252 42.059 -0.062 0.000 0.889 77 L HN 0.219 nan 8.230 nan 0.000 0.432 78 R N 0.502 121.004 120.500 0.003 0.000 2.113 78 R HA -0.159 4.181 4.340 0.000 0.000 0.231 78 R C 2.163 178.482 176.300 0.031 0.000 1.129 78 R CA 2.059 58.170 56.100 0.019 0.000 0.915 78 R CB -1.339 28.973 30.300 0.021 0.000 0.837 78 R HN 0.380 nan 8.270 nan 0.000 0.430 79 G N 0.216 109.032 108.800 0.026 0.000 2.514 79 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 79 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 79 G C 1.429 176.367 174.900 0.064 0.000 1.198 79 G CA 1.238 46.358 45.100 0.033 0.000 0.780 79 G HN 0.328 nan 8.290 nan 0.000 0.565 80 I N 1.051 121.651 120.570 0.051 0.000 2.361 80 I HA -0.096 4.074 4.170 0.000 0.000 0.251 80 I C 2.918 179.101 176.117 0.110 0.000 1.133 80 I CA 1.474 62.828 61.300 0.089 0.000 1.413 80 I CB -0.337 37.688 38.000 0.041 0.000 1.073 80 I HN 0.095 nan 8.210 nan 0.000 0.424 81 T N -1.350 113.245 114.554 0.068 0.000 2.942 81 T HA -0.116 4.234 4.350 0.000 0.000 0.265 81 T C 2.136 176.883 174.700 0.079 0.000 1.062 81 T CA 1.415 63.550 62.100 0.059 0.000 1.139 81 T CB -0.145 68.743 68.868 0.033 0.000 0.883 81 T HN 0.318 nan 8.240 nan 0.000 0.468 82 S N 0.402 116.158 115.700 0.094 0.000 2.368 82 S HA -0.122 4.348 4.470 0.000 0.000 0.224 82 S C 1.779 176.468 174.600 0.149 0.000 1.029 82 S CA 0.814 59.075 58.200 0.101 0.000 0.988 82 S CB -0.419 62.836 63.200 0.092 0.000 0.838 82 S HN 0.643 nan 8.310 nan 0.000 0.462 83 Y N 1.007 121.335 120.300 0.046 0.000 2.583 83 Y HA 0.245 4.795 4.550 0.000 0.000 0.293 83 Y C 1.451 177.428 175.900 0.127 0.000 1.157 83 Y CA 0.367 58.507 58.100 0.067 0.000 1.315 83 Y CB -0.037 38.439 38.460 0.027 0.000 1.021 83 Y HN 0.258 nan 8.280 nan 0.000 0.536 84 I N -1.254 119.335 120.570 0.032 0.000 2.585 84 I HA -0.124 4.046 4.170 0.000 0.000 0.254 84 I C 2.214 178.443 176.117 0.188 0.000 1.129 84 I CA 0.831 62.181 61.300 0.084 0.000 1.455 84 I CB -1.161 36.879 38.000 0.068 0.000 1.111 84 I HN 0.146 nan 8.210 nan 0.000 0.433 85 S N 1.051 116.800 115.700 0.081 0.000 2.335 85 S HA -0.112 4.358 4.470 0.000 0.000 0.216 85 S C 2.237 176.837 174.600 0.001 0.000 1.032 85 S CA 1.656 59.880 58.200 0.039 0.000 1.000 85 S CB -0.210 63.014 63.200 0.040 0.000 0.928 85 S HN 0.362 nan 8.310 nan 0.000 0.434 86 S N 1.178 116.891 115.700 0.022 0.000 2.365 86 S HA -0.190 4.280 4.470 0.000 0.000 0.225 86 S C 1.646 176.222 174.600 -0.040 0.000 1.039 86 S CA 1.800 60.008 58.200 0.013 0.000 1.033 86 S CB -0.748 62.492 63.200 0.066 0.000 0.887 86 S HN 0.629 nan 8.310 nan 0.000 0.447 87 Y N 1.540 121.717 120.300 -0.206 0.000 1.956 87 Y HA -0.343 4.207 4.550 0.000 0.000 0.258 87 Y C 2.587 178.414 175.900 -0.121 0.000 1.152 87 Y CA 1.427 59.350 58.100 -0.294 0.000 1.093 87 Y CB -1.264 36.836 38.460 -0.599 0.000 0.945 87 Y HN 0.280 nan 8.280 nan 0.000 0.488 88 C N 0.414 118.943 119.300 -1.285 0.000 2.448 88 C HA -0.013 4.447 4.460 0.000 0.000 0.280 88 C C 2.862 177.689 174.990 -0.273 0.000 1.398 88 C CA 0.714 59.118 59.018 -1.024 0.000 1.774 88 C CB -1.884 25.349 27.740 -0.845 0.000 1.888 88 C HN 0.789 nan 8.230 nan 0.000 0.519 89 I N 0.036 120.510 120.570 -0.161 0.000 2.235 89 I HA -0.114 4.056 4.170 0.000 0.000 0.241 89 I C 2.418 178.518 176.117 -0.028 0.000 1.085 89 I CA 1.436 62.709 61.300 -0.046 0.000 1.378 89 I CB -0.177 37.807 38.000 -0.027 0.000 1.076 89 I HN 0.130 nan 8.210 nan 0.000 0.415 90 S N 0.406 116.085 115.700 -0.035 0.000 2.383 90 S HA -0.278 4.192 4.470 0.000 0.000 0.229 90 S C 1.423 176.002 174.600 -0.034 0.000 1.030 90 S CA 1.912 60.093 58.200 -0.033 0.000 1.002 90 S CB -0.636 62.557 63.200 -0.011 0.000 0.829 90 S HN 0.736 nan 8.310 nan 0.000 0.467 91 W N 1.781 122.952 121.300 -0.215 0.000 2.354 91 W HA -0.151 4.509 4.660 -0.000 0.000 0.315 91 W C 2.251 178.607 176.519 -0.272 0.000 1.206 91 W CA 1.277 58.482 57.345 -0.232 0.000 1.290 91 W CB -0.789 28.512 29.460 -0.265 0.000 1.152 91 W HN 0.062 nan 8.180 nan 0.000 0.489 92 V N 1.311 121.261 119.914 0.060 0.000 2.392 92 V HA -0.313 3.807 4.120 0.000 0.000 0.249 92 V C 2.448 178.289 176.094 -0.422 0.000 1.059 92 V CA 3.089 65.266 62.300 -0.205 0.000 1.051 92 V CB -1.023 30.875 31.823 0.126 0.000 0.658 92 V HN 0.449 nan 8.190 nan 0.000 0.455 93 S N 0.021 115.553 115.700 -0.280 0.000 2.325 93 S HA 0.012 4.482 4.470 0.000 0.000 0.214 93 S C 2.235 176.619 174.600 -0.360 0.000 1.031 93 S CA 1.169 59.212 58.200 -0.261 0.000 0.972 93 S CB -1.330 61.774 63.200 -0.161 0.000 0.908 93 S HN 0.695 nan 8.310 nan 0.000 0.453 94 G N 2.033 110.624 108.800 -0.348 0.000 2.545 94 G HA2 -0.292 3.668 3.960 0.000 0.000 0.222 94 G HA3 -0.292 3.668 3.960 0.000 0.000 0.222 94 G C 1.570 176.182 174.900 -0.481 0.000 1.126 94 G CA 1.505 46.397 45.100 -0.348 0.000 0.754 94 G HN 0.502 nan 8.290 nan 0.000 0.583 95 K N -0.355 119.556 120.400 -0.816 0.000 2.044 95 K HA 0.164 4.484 4.320 0.000 0.000 0.204 95 K C 2.511 178.635 176.600 -0.794 0.000 1.049 95 K CA 0.594 56.253 56.287 -1.047 0.000 0.945 95 K CB -1.008 30.238 32.500 -2.091 0.000 0.724 95 K HN 0.134 nan 8.250 nan 0.000 0.440 96 V N 0.489 119.960 119.914 -0.737 0.000 2.490 96 V HA -0.180 3.940 4.120 0.000 0.000 0.250 96 V C 1.946 177.943 176.094 -0.162 0.000 1.061 96 V CA 1.853 64.000 62.300 -0.256 0.000 1.064 96 V CB -0.083 31.658 31.823 -0.136 0.000 0.670 96 V HN 0.187 nan 8.190 nan 0.000 0.461 97 V N -0.217 119.569 119.914 -0.214 0.000 2.239 97 V HA -0.221 3.899 4.120 0.000 0.000 0.242 97 V C 2.394 178.414 176.094 -0.122 0.000 1.038 97 V CA 2.670 64.879 62.300 -0.151 0.000 1.002 97 V CB -0.226 31.500 31.823 -0.163 0.000 0.641 97 V HN 0.549 nan 8.190 nan 0.000 0.449 98 M N 0.257 119.762 119.600 -0.157 0.000 2.267 98 M HA -0.105 4.375 4.480 0.000 0.000 0.263 98 M C 2.224 178.475 176.300 -0.081 0.000 1.063 98 M CA 2.290 57.518 55.300 -0.121 0.000 1.090 98 M CB -1.149 31.363 32.600 -0.146 0.000 1.392 98 M HN 0.512 nan 8.290 nan 0.000 0.422 99 T N -1.144 113.366 114.554 -0.074 0.000 3.023 99 T HA -0.057 4.293 4.350 0.000 0.000 0.266 99 T C 1.622 176.336 174.700 0.024 0.000 1.093 99 T CA 0.933 63.036 62.100 0.005 0.000 1.129 99 T CB -0.005 68.926 68.868 0.105 0.000 0.899 99 T HN 0.271 nan 8.240 nan 0.000 0.491 100 M N 2.256 121.860 119.600 0.007 0.000 2.062 100 M HA 0.032 4.512 4.480 0.000 0.000 0.259 100 M C 2.298 178.627 176.300 0.047 0.000 1.076 100 M CA 1.737 57.055 55.300 0.031 0.000 1.122 100 M CB -0.421 32.183 32.600 0.007 0.000 1.312 100 M HN 0.211 nan 8.290 nan 0.000 0.412 101 R N -0.246 120.271 120.500 0.028 0.000 2.159 101 R HA -0.203 4.137 4.340 0.000 0.000 0.237 101 R C 2.305 178.658 176.300 0.088 0.000 1.131 101 R CA 1.817 57.951 56.100 0.057 0.000 0.982 101 R CB -1.091 29.222 30.300 0.022 0.000 0.868 101 R HN 0.486 nan 8.270 nan 0.000 0.453 102 R N 1.286 121.813 120.500 0.046 0.000 2.070 102 R HA -0.105 4.235 4.340 0.000 0.000 0.233 102 R C 2.488 178.873 176.300 0.143 0.000 1.137 102 R CA 1.644 57.773 56.100 0.049 0.000 0.945 102 R CB -0.236 30.068 30.300 0.007 0.000 0.845 102 R HN 0.240 nan 8.270 nan 0.000 0.430 103 R N 0.321 120.888 120.500 0.112 0.000 2.105 103 R HA -0.102 4.238 4.340 0.000 0.000 0.239 103 R C 2.252 178.656 176.300 0.174 0.000 1.135 103 R CA 1.495 57.667 56.100 0.121 0.000 0.967 103 R CB -0.188 30.155 30.300 0.071 0.000 0.861 103 R HN 0.285 nan 8.270 nan 0.000 0.442 104 L N -0.599 120.736 121.223 0.186 0.000 1.988 104 L HA -0.148 4.192 4.340 0.000 0.000 0.207 104 L C 2.213 179.243 176.870 0.267 0.000 1.071 104 L CA 1.263 56.238 54.840 0.225 0.000 0.744 104 L CB -0.789 41.383 42.059 0.188 0.000 0.893 104 L HN 0.177 nan 8.230 nan 0.000 0.433 105 F N 1.306 121.321 119.950 0.107 0.000 2.050 105 F HA -0.343 4.184 4.527 -0.000 0.000 0.294 105 F C 2.244 178.110 175.800 0.110 0.000 1.113 105 F CA 2.145 60.203 58.000 0.098 0.000 1.225 105 F CB -0.944 38.094 39.000 0.064 0.000 0.953 105 F HN 0.051 nan 8.300 nan 0.000 0.501 106 G N -1.601 107.391 108.800 0.320 0.000 2.491 106 G HA2 -0.414 3.546 3.960 0.000 0.000 0.218 106 G HA3 -0.414 3.546 3.960 0.000 0.000 0.218 106 G C 1.440 176.386 174.900 0.078 0.000 1.180 106 G CA 1.310 46.503 45.100 0.155 0.000 0.774 106 G HN 0.648 nan 8.290 nan 0.000 0.562 107 H N 0.219 119.321 119.070 0.053 0.000 2.352 107 H HA -0.032 4.524 4.556 0.000 0.000 0.299 107 H C 2.622 177.971 175.328 0.034 0.000 1.097 107 H CA 1.912 57.977 56.048 0.028 0.000 1.311 107 H CB -0.184 29.595 29.762 0.027 0.000 1.377 107 H HN 0.187 nan 8.280 nan 0.000 0.504 108 M N 0.156 119.716 119.600 -0.066 0.000 2.110 108 M HA -0.238 4.242 4.480 0.000 0.000 0.257 108 M C 2.502 178.867 176.300 0.108 0.000 1.071 108 M CA 2.292 57.579 55.300 -0.022 0.000 1.096 108 M CB -0.868 31.765 32.600 0.055 0.000 1.300 108 M HN 0.647 nan 8.290 nan 0.000 0.411 109 M N -1.250 118.357 119.600 0.010 0.000 2.630 109 M HA 0.117 4.597 4.480 0.000 0.000 0.254 109 M C 1.396 177.708 176.300 0.020 0.000 1.092 109 M CA 1.535 56.855 55.300 0.033 0.000 1.087 109 M CB -0.798 31.701 32.600 -0.168 0.000 1.453 109 M HN 0.147 nan 8.290 nan 0.000 0.509 110 G N 1.046 109.818 108.800 -0.047 0.000 3.181 110 G HA2 0.198 4.158 3.960 0.000 0.000 0.219 110 G HA3 0.198 4.158 3.960 0.000 0.000 0.219 110 G C 0.639 175.477 174.900 -0.104 0.000 1.182 110 G CA -0.286 44.779 45.100 -0.057 0.000 0.791 110 G HN 0.380 nan 8.290 nan 0.000 0.537 111 M N 1.286 120.861 119.600 -0.040 0.000 3.462 111 M HA 0.255 4.735 4.480 0.000 0.000 0.219 111 M C -2.642 173.766 176.300 0.180 0.000 1.207 111 M CA -2.191 53.068 55.300 -0.068 0.000 1.284 111 M CB 0.157 32.648 32.600 -0.181 0.000 1.160 111 M HN -0.149 nan 8.290 nan 0.000 0.598 112 P HA 0.027 nan 4.420 nan 0.000 0.270 112 P C 0.679 178.051 177.300 0.120 0.000 1.216 112 P CA 0.329 63.500 63.100 0.118 0.000 0.788 112 P CB 0.843 32.564 31.700 0.035 0.000 0.883 113 V N 0.244 120.198 119.914 0.067 0.000 3.464 113 V HA -0.261 3.859 4.120 0.000 0.000 0.494 113 V C 1.405 177.533 176.094 0.057 0.000 0.698 113 V CA 0.676 62.917 62.300 -0.098 0.000 2.220 113 V CB -1.527 30.251 31.823 -0.076 0.000 2.347 113 V HN 0.728 nan 8.190 nan 0.000 0.485 114 A N 0.052 122.897 122.820 0.041 0.000 2.285 114 A HA -0.102 4.218 4.320 0.000 0.000 0.214 114 A C 1.405 179.130 177.584 0.235 0.000 1.188 114 A CA 2.292 54.461 52.037 0.220 0.000 0.707 114 A CB -0.807 18.395 19.000 0.336 0.000 0.771 114 A HN 1.353 nan 8.150 nan 0.000 0.488 115 F N -0.383 119.589 119.950 0.037 0.000 2.026 115 F HA -0.249 4.279 4.527 0.000 0.000 0.296 115 F C 1.821 177.532 175.800 -0.149 0.000 1.133 115 F CA 1.953 59.887 58.000 -0.109 0.000 1.188 115 F CB -0.222 38.623 39.000 -0.258 0.000 0.968 115 F HN 0.304 nan 8.300 nan 0.000 0.476 116 F N 1.067 120.991 119.950 -0.042 0.000 2.373 116 F HA -0.207 4.320 4.527 0.000 0.000 0.300 116 F C 1.766 177.502 175.800 -0.105 0.000 1.080 116 F CA 1.318 59.224 58.000 -0.156 0.000 1.417 116 F CB -0.746 38.214 39.000 -0.068 0.000 1.070 116 F HN 0.087 nan 8.300 nan 0.000 0.546 117 D N -0.101 120.371 120.400 0.119 0.000 2.091 117 D HA -0.110 4.530 4.640 0.000 0.000 0.199 117 D C 2.191 178.501 176.300 0.016 0.000 0.980 117 D CA 0.944 54.995 54.000 0.086 0.000 0.831 117 D CB -0.129 40.761 40.800 0.150 0.000 0.987 117 D HN -0.075 nan 8.370 nan 0.000 0.460 118 K N 0.954 121.351 120.400 -0.004 0.000 1.965 118 K HA -0.074 4.246 4.320 0.000 0.000 0.220 118 K C 1.232 177.781 176.600 -0.085 0.000 1.046 118 K CA 0.977 57.245 56.287 -0.032 0.000 0.974 118 K CB -1.062 31.431 32.500 -0.012 0.000 0.738 118 K HN 0.358 nan 8.250 nan 0.000 0.444 119 Q N 1.473 121.166 119.800 -0.178 0.000 2.306 119 Q HA 0.120 4.460 4.340 0.000 0.000 0.241 119 Q C -0.166 175.739 176.000 -0.159 0.000 0.948 119 Q CA -0.058 55.641 55.803 -0.173 0.000 0.886 119 Q CB 1.111 29.718 28.738 -0.219 0.000 1.227 119 Q HN 0.080 nan 8.270 nan 0.000 0.457 120 S N 1.030 116.668 115.700 -0.102 0.000 2.552 120 S HA -0.035 4.435 4.470 0.000 0.000 0.289 120 S C 1.395 175.948 174.600 -0.078 0.000 1.304 120 S CA 0.391 58.550 58.200 -0.069 0.000 1.063 120 S CB 0.232 63.405 63.200 -0.044 0.000 0.848 120 S HN 0.759 nan 8.310 nan 0.000 0.499 121 T N 3.130 117.660 114.554 -0.041 0.000 2.803 121 T HA -0.084 4.266 4.350 0.000 0.000 0.269 121 T C 2.003 176.695 174.700 -0.012 0.000 1.052 121 T CA 1.516 63.609 62.100 -0.013 0.000 1.136 121 T CB -1.146 67.738 68.868 0.027 0.000 0.864 121 T HN 0.758 nan 8.240 nan 0.000 0.467 122 G N 1.870 110.663 108.800 -0.012 0.000 2.476 122 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 122 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 122 G C 1.925 176.819 174.900 -0.010 0.000 1.164 122 G CA 2.080 47.179 45.100 -0.001 0.000 0.768 122 G HN 0.735 nan 8.290 nan 0.000 0.560 123 T N 0.032 114.564 114.554 -0.036 0.000 2.720 123 T HA -0.050 4.300 4.350 0.000 0.000 0.268 123 T C 2.434 177.116 174.700 -0.030 0.000 1.037 123 T CA 1.384 63.459 62.100 -0.042 0.000 1.144 123 T CB -0.363 68.465 68.868 -0.067 0.000 0.864 123 T HN 0.218 nan 8.240 nan 0.000 0.444 124 L N 0.056 121.249 121.223 -0.051 0.000 1.994 124 L HA 0.042 4.382 4.340 0.000 0.000 0.208 124 L C 2.742 179.633 176.870 0.036 0.000 1.071 124 L CA 1.132 55.956 54.840 -0.027 0.000 0.745 124 L CB -0.913 41.104 42.059 -0.070 0.000 0.892 124 L HN 0.224 nan 8.230 nan 0.000 0.431 125 L N -0.094 121.155 121.223 0.043 0.000 1.997 125 L HA -0.312 4.028 4.340 0.000 0.000 0.216 125 L C 2.853 179.767 176.870 0.073 0.000 1.074 125 L CA 2.214 57.096 54.840 0.069 0.000 0.763 125 L CB -0.728 41.365 42.059 0.058 0.000 0.890 125 L HN 0.271 nan 8.230 nan 0.000 0.434 126 S N -1.224 114.508 115.700 0.055 0.000 2.359 126 S HA -0.307 4.163 4.470 0.000 0.000 0.222 126 S C 2.155 176.813 174.600 0.097 0.000 1.038 126 S CA 1.637 59.877 58.200 0.067 0.000 1.051 126 S CB -0.309 62.904 63.200 0.021 0.000 0.944 126 S HN 0.449 nan 8.310 nan 0.000 0.433 127 R N 0.967 121.513 120.500 0.077 0.000 2.159 127 R HA -0.114 4.226 4.340 0.000 0.000 0.249 127 R C 2.129 178.492 176.300 0.105 0.000 1.136 127 R CA 2.154 58.309 56.100 0.092 0.000 0.951 127 R CB -1.218 29.130 30.300 0.080 0.000 0.876 127 R HN 0.585 nan 8.270 nan 0.000 0.440 128 I N -0.355 120.279 120.570 0.107 0.000 2.039 128 I HA -0.389 3.781 4.170 0.000 0.000 0.233 128 I C 2.316 178.481 176.117 0.080 0.000 1.040 128 I CA 2.201 63.565 61.300 0.106 0.000 1.308 128 I CB -0.967 37.113 38.000 0.133 0.000 1.035 128 I HN 0.425 nan 8.210 nan 0.000 0.392 129 T N -0.473 114.132 114.554 0.085 0.000 2.469 129 T HA -0.374 3.976 4.350 0.000 0.000 0.254 129 T C 1.816 176.556 174.700 0.066 0.000 1.214 129 T CA 2.131 64.273 62.100 0.070 0.000 1.202 129 T CB -1.272 67.650 68.868 0.090 0.000 0.864 129 T HN 0.367 nan 8.240 nan 0.000 0.408 130 Y N 2.721 123.022 120.300 0.003 0.000 2.133 130 Y HA -0.074 4.476 4.550 -0.000 0.000 0.287 130 Y C 2.315 178.206 175.900 -0.015 0.000 1.134 130 Y CA 2.008 60.104 58.100 -0.007 0.000 1.133 130 Y CB -0.672 37.786 38.460 -0.004 0.000 0.987 130 Y HN 0.254 nan 8.280 nan 0.000 0.502 131 D N -0.769 119.766 120.400 0.225 0.000 2.123 131 D HA -0.172 4.468 4.640 0.000 0.000 0.196 131 D C 2.355 178.650 176.300 -0.010 0.000 0.992 131 D CA 1.744 55.819 54.000 0.125 0.000 0.833 131 D CB -0.456 40.412 40.800 0.114 0.000 0.954 131 D HN 0.288 nan 8.370 nan 0.000 0.455 132 S N 0.579 116.270 115.700 -0.015 0.000 2.348 132 S HA -0.145 4.325 4.470 0.000 0.000 0.221 132 S C 1.758 176.290 174.600 -0.113 0.000 1.033 132 S CA 0.841 59.010 58.200 -0.051 0.000 1.010 132 S CB -0.167 63.017 63.200 -0.027 0.000 0.891 132 S HN 0.222 nan 8.310 nan 0.000 0.442 133 E N 1.262 121.370 120.200 -0.153 0.000 2.114 133 E HA -0.187 4.163 4.350 0.000 0.000 0.199 133 E C 2.298 178.763 176.600 -0.225 0.000 1.008 133 E CA 1.127 57.403 56.400 -0.206 0.000 0.810 133 E CB -0.364 29.168 29.700 -0.282 0.000 0.739 133 E HN 0.488 nan 8.360 nan 0.000 0.456 134 Q N 0.316 119.962 119.800 -0.257 0.000 1.948 134 Q HA -0.118 4.222 4.340 0.000 0.000 0.205 134 Q C 2.412 178.307 176.000 -0.175 0.000 0.992 134 Q CA 1.042 56.719 55.803 -0.210 0.000 0.849 134 Q CB -1.203 27.445 28.738 -0.149 0.000 0.918 134 Q HN 0.241 nan 8.270 nan 0.000 0.421 135 V N 1.326 121.140 119.914 -0.167 0.000 2.636 135 V HA -0.292 3.828 4.120 0.000 0.000 0.258 135 V C 2.070 178.055 176.094 -0.181 0.000 1.092 135 V CA 1.870 64.054 62.300 -0.194 0.000 1.110 135 V CB -0.792 30.915 31.823 -0.194 0.000 0.685 135 V HN 0.404 nan 8.190 nan 0.000 0.481 136 A N -0.705 122.018 122.820 -0.161 0.000 1.828 136 A HA -0.222 4.098 4.320 0.000 0.000 0.215 136 A C 2.563 180.062 177.584 -0.141 0.000 1.203 136 A CA 2.310 54.255 52.037 -0.152 0.000 0.614 136 A CB -1.378 17.529 19.000 -0.154 0.000 0.844 136 A HN 0.618 nan 8.150 nan 0.000 0.445 137 S N -0.453 115.165 115.700 -0.136 0.000 2.380 137 S HA -0.224 4.246 4.470 0.000 0.000 0.229 137 S C 2.337 176.874 174.600 -0.104 0.000 1.043 137 S CA 2.317 60.451 58.200 -0.109 0.000 1.038 137 S CB -0.648 62.489 63.200 -0.105 0.000 0.872 137 S HN 0.761 nan 8.310 nan 0.000 0.456 138 S N 0.448 116.054 115.700 -0.156 0.000 2.365 138 S HA -0.166 4.304 4.470 0.000 0.000 0.221 138 S C 2.131 176.630 174.600 -0.168 0.000 1.037 138 S CA 2.337 60.401 58.200 -0.227 0.000 1.060 138 S CB -1.346 61.601 63.200 -0.421 0.000 0.974 138 S HN 0.708 nan 8.310 nan 0.000 0.427 139 S N 0.951 116.556 115.700 -0.158 0.000 2.369 139 S HA -0.194 4.276 4.470 0.000 0.000 0.225 139 S C 2.145 176.751 174.600 0.011 0.000 1.043 139 S CA 2.655 60.822 58.200 -0.055 0.000 1.074 139 S CB -1.264 61.906 63.200 -0.050 0.000 0.962 139 S HN 0.895 nan 8.310 nan 0.000 0.433 140 S N 0.901 116.589 115.700 -0.020 0.000 2.436 140 S HA 0.088 4.558 4.470 0.000 0.000 0.208 140 S C 2.201 176.816 174.600 0.025 0.000 1.063 140 S CA 1.237 59.437 58.200 0.000 0.000 1.120 140 S CB -1.793 61.386 63.200 -0.035 0.000 1.053 140 S HN 0.701 nan 8.310 nan 0.000 0.407 141 G N 1.313 110.118 108.800 0.009 0.000 2.475 141 G HA2 0.004 3.964 3.960 0.000 0.000 0.220 141 G HA3 0.004 3.964 3.960 0.000 0.000 0.220 141 G C 1.598 176.530 174.900 0.054 0.000 1.125 141 G CA 1.227 46.341 45.100 0.022 0.000 0.755 141 G HN 0.902 nan 8.290 nan 0.000 0.565 142 A N 0.289 123.165 122.820 0.094 0.000 1.898 142 A HA 0.271 4.591 4.320 0.000 0.000 0.214 142 A C 2.396 180.098 177.584 0.198 0.000 1.183 142 A CA 0.848 52.999 52.037 0.190 0.000 0.622 142 A CB -0.314 18.919 19.000 0.388 0.000 0.824 142 A HN 0.319 nan 8.150 nan 0.000 0.444 143 L N 0.322 121.667 121.223 0.203 0.000 2.079 143 L HA -0.209 4.131 4.340 0.000 0.000 0.210 143 L C 2.641 179.566 176.870 0.090 0.000 1.081 143 L CA 1.704 56.644 54.840 0.167 0.000 0.752 143 L CB -0.703 41.459 42.059 0.172 0.000 0.896 143 L HN 0.693 nan 8.230 nan 0.000 0.433 144 I N -2.073 118.542 120.570 0.075 0.000 2.179 144 I HA -0.245 3.925 4.170 0.000 0.000 0.242 144 I C 2.557 178.693 176.117 0.032 0.000 1.088 144 I CA 2.017 63.346 61.300 0.048 0.000 1.357 144 I CB -0.951 37.072 38.000 0.039 0.000 1.051 144 I HN 0.247 nan 8.210 nan 0.000 0.409 145 T N -1.386 113.187 114.554 0.030 0.000 3.014 145 T HA 0.035 4.385 4.350 0.000 0.000 0.263 145 T C 1.921 176.616 174.700 -0.009 0.000 1.078 145 T CA 0.887 62.993 62.100 0.011 0.000 1.135 145 T CB -0.456 68.419 68.868 0.011 0.000 0.895 145 T HN 0.259 nan 8.240 nan 0.000 0.480 146 V N 1.063 120.966 119.914 -0.019 0.000 2.970 146 V HA 0.022 4.142 4.120 0.000 0.000 0.260 146 V C 2.197 178.257 176.094 -0.057 0.000 1.100 146 V CA 1.134 63.387 62.300 -0.078 0.000 1.122 146 V CB -0.239 31.481 31.823 -0.171 0.000 0.721 146 V HN 0.501 nan 8.190 nan 0.000 0.483 147 V N -0.330 119.572 119.914 -0.021 0.000 3.431 147 V HA 0.085 4.205 4.120 0.000 0.000 0.253 147 V C 2.286 178.375 176.094 -0.008 0.000 1.184 147 V CA 1.386 63.679 62.300 -0.013 0.000 1.104 147 V CB -0.252 31.574 31.823 0.005 0.000 0.799 147 V HN 0.500 nan 8.190 nan 0.000 0.462 148 R N 0.674 121.171 120.500 -0.004 0.000 2.052 148 R HA -0.065 4.275 4.340 0.000 0.000 0.224 148 R C 2.125 178.420 176.300 -0.009 0.000 1.165 148 R CA 1.316 57.415 56.100 -0.003 0.000 0.939 148 R CB -0.066 30.235 30.300 0.003 0.000 0.834 148 R HN 0.311 nan 8.270 nan 0.000 0.435 149 E N -0.099 120.094 120.200 -0.011 0.000 2.347 149 E HA -0.049 4.301 4.350 0.000 0.000 0.196 149 E C 1.685 178.278 176.600 -0.010 0.000 1.008 149 E CA 0.963 57.356 56.400 -0.011 0.000 0.852 149 E CB -0.041 29.651 29.700 -0.013 0.000 0.783 149 E HN 0.619 nan 8.360 nan 0.000 0.505 150 G N 1.149 109.939 108.800 -0.016 0.000 2.394 150 G HA2 -0.140 3.820 3.960 0.000 0.000 0.215 150 G HA3 -0.140 3.820 3.960 0.000 0.000 0.215 150 G C 1.656 176.560 174.900 0.006 0.000 1.165 150 G CA 0.788 45.882 45.100 -0.010 0.000 0.784 150 G HN 0.377 nan 8.290 nan 0.000 0.535 151 A N 0.321 123.134 122.820 -0.011 0.000 2.067 151 A HA 0.183 4.503 4.320 0.000 0.000 0.217 151 A C 2.499 180.055 177.584 -0.047 0.000 1.156 151 A CA 1.855 53.876 52.037 -0.027 0.000 0.683 151 A CB -0.434 18.549 19.000 -0.028 0.000 0.808 151 A HN 0.386 nan 8.150 nan 0.000 0.455 152 S N -0.371 115.311 115.700 -0.031 0.000 2.368 152 S HA -0.110 4.360 4.470 0.000 0.000 0.224 152 S C 1.756 176.334 174.600 -0.036 0.000 1.029 152 S CA 1.442 59.620 58.200 -0.038 0.000 0.988 152 S CB -0.373 62.813 63.200 -0.023 0.000 0.838 152 S HN 0.355 nan 8.310 nan 0.000 0.462 153 I N 1.669 122.244 120.570 0.008 0.000 2.394 153 I HA -0.007 4.163 4.170 0.000 0.000 0.251 153 I C 1.948 178.129 176.117 0.107 0.000 1.136 153 I CA 0.870 62.218 61.300 0.082 0.000 1.425 153 I CB -0.384 37.688 38.000 0.121 0.000 1.079 153 I HN 0.357 nan 8.210 nan 0.000 0.425 154 I N -0.194 120.355 120.570 -0.035 0.000 2.315 154 I HA -0.191 3.979 4.170 0.000 0.000 0.248 154 I C 2.523 178.150 176.117 -0.818 0.000 1.117 154 I CA 1.461 62.488 61.300 -0.455 0.000 1.404 154 I CB -0.932 36.961 38.000 -0.178 0.000 1.071 154 I HN 0.278 nan 8.210 nan 0.000 0.419 155 G N 0.946 109.521 108.800 -0.375 0.000 2.394 155 G HA2 -0.106 3.854 3.960 0.000 0.000 0.215 155 G HA3 -0.106 3.854 3.960 0.000 0.000 0.215 155 G C 1.602 176.345 174.900 -0.261 0.000 1.165 155 G CA 0.132 45.053 45.100 -0.299 0.000 0.784 155 G HN 0.134 nan 8.290 nan 0.000 0.535 156 L N 0.629 121.748 121.223 -0.174 0.000 2.141 156 L HA 0.048 4.388 4.340 0.000 0.000 0.209 156 L C 2.662 179.532 176.870 -0.001 0.000 1.094 156 L CA 1.309 56.097 54.840 -0.086 0.000 0.763 156 L CB -1.071 40.968 42.059 -0.034 0.000 0.908 156 L HN 0.484 nan 8.230 nan 0.000 0.437 157 F N -0.690 119.274 119.950 0.022 0.000 2.335 157 F HA 0.019 4.546 4.527 0.000 0.000 0.296 157 F C 2.187 178.095 175.800 0.180 0.000 1.091 157 F CA 0.523 58.566 58.000 0.072 0.000 1.399 157 F CB -0.946 38.095 39.000 0.068 0.000 1.067 157 F HN -0.090 nan 8.300 nan 0.000 0.520 158 I N -0.096 120.377 120.570 -0.161 0.000 2.928 158 I HA -0.093 4.077 4.170 0.000 0.000 0.266 158 I C 2.209 178.344 176.117 0.030 0.000 1.234 158 I CA 0.640 61.974 61.300 0.058 0.000 1.483 158 I CB -0.033 37.823 38.000 -0.239 0.000 1.097 158 I HN 0.391 nan 8.210 nan 0.000 0.455 159 M N 0.135 119.679 119.600 -0.093 0.000 2.115 159 M HA -0.143 4.337 4.480 0.000 0.000 0.261 159 M C 1.985 178.197 176.300 -0.147 0.000 1.079 159 M CA 1.549 56.712 55.300 -0.228 0.000 1.143 159 M CB 0.045 32.504 32.600 -0.234 0.000 1.332 159 M HN 0.095 nan 8.290 nan 0.000 0.421 160 M N -0.023 119.582 119.600 0.009 0.000 2.446 160 M HA -0.125 4.355 4.480 0.000 0.000 0.263 160 M C 1.869 178.272 176.300 0.173 0.000 1.066 160 M CA 1.155 56.524 55.300 0.115 0.000 1.087 160 M CB -1.554 31.099 32.600 0.088 0.000 1.406 160 M HN 0.317 nan 8.290 nan 0.000 0.459 161 F N 1.857 121.837 119.950 0.049 0.000 2.048 161 F HA -0.352 4.175 4.527 0.000 0.000 0.300 161 F C 2.521 178.451 175.800 0.218 0.000 1.221 161 F CA 2.627 60.724 58.000 0.163 0.000 1.214 161 F CB -1.048 38.118 39.000 0.277 0.000 0.941 161 F HN 0.251 nan 8.300 nan 0.000 0.531 162 Y N -2.379 118.332 120.300 0.686 0.000 2.365 162 Y HA -0.038 4.512 4.550 0.000 0.000 0.293 162 Y C 2.160 178.274 175.900 0.357 0.000 1.119 162 Y CA 0.528 58.912 58.100 0.473 0.000 1.203 162 Y CB -2.191 36.468 38.460 0.332 0.000 1.026 162 Y HN 0.327 nan 8.280 nan 0.000 0.549 163 Y N 1.753 121.949 120.300 -0.173 0.000 2.446 163 Y HA -0.103 4.447 4.550 0.000 0.000 0.287 163 Y C 0.833 176.788 175.900 0.092 0.000 1.159 163 Y CA 1.140 59.200 58.100 -0.067 0.000 1.297 163 Y CB 0.103 38.436 38.460 -0.212 0.000 0.974 163 Y HN 0.204 nan 8.280 nan 0.000 0.557 164 S N -0.690 115.116 115.700 0.176 0.000 2.751 164 S HA 0.025 4.495 4.470 0.000 0.000 0.148 164 S C 0.094 174.796 174.600 0.170 0.000 1.057 164 S CA -0.278 58.002 58.200 0.134 0.000 1.103 164 S CB -1.441 61.804 63.200 0.076 0.000 1.709 164 S HN 0.574 nan 8.310 nan 0.000 0.484 165 W N 2.877 124.202 121.300 0.042 0.000 2.336 165 W HA -0.201 4.459 4.660 0.000 0.000 0.277 165 W C 1.272 177.784 176.519 -0.012 0.000 1.211 165 W CA 1.745 59.102 57.345 0.020 0.000 1.187 165 W CB -0.048 29.441 29.460 0.049 0.000 1.132 165 W HN 0.470 nan 8.180 nan 0.000 0.562 166 Q N 0.679 119.855 119.800 -1.039 0.000 2.049 166 Q HA -0.103 4.237 4.340 0.000 0.000 0.198 166 Q C 2.268 177.986 176.000 -0.469 0.000 0.971 166 Q CA 1.345 56.512 55.803 -1.060 0.000 0.833 166 Q CB -0.745 27.414 28.738 -0.965 0.000 0.896 166 Q HN 0.398 nan 8.270 nan 0.000 0.434 167 L N 0.201 121.260 121.223 -0.274 0.000 2.395 167 L HA 0.025 4.365 4.340 0.000 0.000 0.218 167 L C 2.153 178.914 176.870 -0.180 0.000 1.130 167 L CA 0.869 55.608 54.840 -0.168 0.000 0.826 167 L CB -1.139 40.896 42.059 -0.040 0.000 0.941 167 L HN 0.145 nan 8.230 nan 0.000 0.451 168 S N -0.179 115.423 115.700 -0.163 0.000 2.522 168 S HA 0.040 4.510 4.470 0.000 0.000 0.227 168 S C 1.657 176.127 174.600 -0.217 0.000 0.986 168 S CA 0.197 58.305 58.200 -0.153 0.000 0.929 168 S CB -0.058 63.066 63.200 -0.127 0.000 0.769 168 S HN 0.400 nan 8.310 nan 0.000 0.529 169 I N 1.059 121.473 120.570 -0.260 0.000 3.735 169 I HA 0.079 4.249 4.170 0.000 0.000 0.310 169 I C 0.715 176.645 176.117 -0.312 0.000 1.270 169 I CA 0.030 61.181 61.300 -0.249 0.000 1.207 169 I CB 0.092 37.945 38.000 -0.244 0.000 1.013 169 I HN 0.315 nan 8.210 nan 0.000 0.452 170 I N -0.317 120.032 120.570 -0.368 0.000 3.445 170 I HA -0.003 4.167 4.170 0.000 0.000 0.288 170 I C 1.996 177.936 176.117 -0.296 0.000 1.198 170 I CA 0.819 61.816 61.300 -0.505 0.000 1.417 170 I CB -0.662 36.944 38.000 -0.657 0.000 1.205 170 I HN 0.160 nan 8.210 nan 0.000 0.448 171 L N 0.742 121.837 121.223 -0.213 0.000 2.141 171 L HA -0.056 4.284 4.340 0.000 0.000 0.209 171 L C 1.446 178.226 176.870 -0.150 0.000 1.094 171 L CA 1.112 55.866 54.840 -0.144 0.000 0.763 171 L CB 0.136 42.138 42.059 -0.096 0.000 0.908 171 L HN -0.039 nan 8.230 nan 0.000 0.437 172 V N -0.319 119.492 119.914 -0.171 0.000 3.544 172 V HA -0.012 4.108 4.120 0.000 0.000 0.304 172 V C 1.338 177.355 176.094 -0.128 0.000 1.256 172 V CA 0.342 62.552 62.300 -0.150 0.000 1.232 172 V CB 0.261 31.991 31.823 -0.155 0.000 1.065 172 V HN 0.327 nan 8.190 nan 0.000 0.423 173 V N -1.260 118.572 119.914 -0.136 0.000 3.368 173 V HA 0.228 4.348 4.120 0.000 0.000 0.255 173 V C 1.370 177.411 176.094 -0.088 0.000 1.466 173 V CA 0.438 62.672 62.300 -0.110 0.000 1.095 173 V CB 1.155 32.897 31.823 -0.134 0.000 0.899 173 V HN 0.441 nan 8.190 nan 0.000 0.440 174 L N 0.078 121.242 121.223 -0.098 0.000 2.575 174 L HA 0.446 4.786 4.340 0.000 0.000 0.228 174 L C 2.373 179.206 176.870 -0.063 0.000 1.075 174 L CA 1.453 56.252 54.840 -0.068 0.000 0.867 174 L CB -0.470 41.552 42.059 -0.063 0.000 1.097 174 L HN 0.203 nan 8.230 nan 0.000 0.485 175 A N 1.240 124.012 122.820 -0.081 0.000 1.902 175 A HA -0.067 4.253 4.320 0.000 0.000 0.217 175 A C -0.193 177.347 177.584 -0.074 0.000 1.181 175 A CA 1.892 53.880 52.037 -0.083 0.000 0.623 175 A CB -1.697 17.231 19.000 -0.120 0.000 0.818 175 A HN 0.338 nan 8.150 nan 0.000 0.443 176 P HA -0.014 nan 4.420 nan 0.000 0.225 176 P C 1.381 178.657 177.300 -0.040 0.000 1.156 176 P CA 0.740 63.806 63.100 -0.057 0.000 0.787 176 P CB -0.037 31.629 31.700 -0.056 0.000 0.802 177 I N -0.554 119.993 120.570 -0.039 0.000 2.480 177 I HA -0.105 4.065 4.170 0.000 0.000 0.251 177 I C 2.589 178.693 176.117 -0.021 0.000 1.124 177 I CA 0.707 61.990 61.300 -0.027 0.000 1.444 177 I CB -0.454 37.531 38.000 -0.025 0.000 1.098 177 I HN -0.170 nan 8.210 nan 0.000 0.428 178 V N -0.498 119.402 119.914 -0.024 0.000 2.548 178 V HA -0.220 3.900 4.120 0.000 0.000 0.249 178 V C 2.528 178.614 176.094 -0.014 0.000 1.055 178 V CA 2.246 64.537 62.300 -0.015 0.000 1.065 178 V CB 0.208 32.021 31.823 -0.016 0.000 0.681 178 V HN 0.453 nan 8.190 nan 0.000 0.462 179 S N -0.434 115.252 115.700 -0.024 0.000 2.383 179 S HA -0.093 4.377 4.470 0.000 0.000 0.227 179 S C 1.868 176.461 174.600 -0.010 0.000 1.026 179 S CA 1.590 59.776 58.200 -0.023 0.000 0.981 179 S CB -0.240 62.937 63.200 -0.039 0.000 0.818 179 S HN 0.527 nan 8.310 nan 0.000 0.472 180 I N 1.839 122.402 120.570 -0.011 0.000 2.333 180 I HA 0.058 4.228 4.170 0.000 0.000 0.246 180 I C 2.816 178.932 176.117 -0.001 0.000 1.106 180 I CA 1.134 62.431 61.300 -0.004 0.000 1.411 180 I CB -1.829 36.166 38.000 -0.008 0.000 1.082 180 I HN 0.359 nan 8.210 nan 0.000 0.420 181 A N 0.559 123.376 122.820 -0.004 0.000 1.972 181 A HA -0.178 4.142 4.320 0.000 0.000 0.219 181 A C 2.306 179.890 177.584 0.001 0.000 1.169 181 A CA 1.348 53.381 52.037 -0.005 0.000 0.635 181 A CB -0.612 18.385 19.000 -0.006 0.000 0.810 181 A HN 0.327 nan 8.150 nan 0.000 0.446 182 I N -1.275 119.302 120.570 0.012 0.000 2.480 182 I HA -0.013 4.157 4.170 0.000 0.000 0.251 182 I C 2.237 178.383 176.117 0.048 0.000 1.124 182 I CA 0.935 62.256 61.300 0.035 0.000 1.444 182 I CB -0.167 37.854 38.000 0.034 0.000 1.098 182 I HN 0.213 nan 8.210 nan 0.000 0.428 183 R N -0.026 120.495 120.500 0.035 0.000 2.096 183 R HA -0.097 4.243 4.340 0.000 0.000 0.235 183 R C 2.119 178.450 176.300 0.051 0.000 1.127 183 R CA 1.784 57.915 56.100 0.052 0.000 0.968 183 R CB -0.881 29.444 30.300 0.041 0.000 0.861 183 R HN 0.265 nan 8.270 nan 0.000 0.440 184 V N -0.666 119.260 119.914 0.021 0.000 2.270 184 V HA -0.199 3.921 4.120 0.000 0.000 0.245 184 V C 2.197 178.268 176.094 -0.039 0.000 1.043 184 V CA 1.779 64.077 62.300 -0.002 0.000 1.014 184 V CB -0.349 31.464 31.823 -0.017 0.000 0.645 184 V HN 0.155 nan 8.190 nan 0.000 0.447 185 V N -0.087 119.785 119.914 -0.070 0.000 2.546 185 V HA -0.268 3.852 4.120 0.000 0.000 0.254 185 V C 2.520 178.479 176.094 -0.225 0.000 1.076 185 V CA 2.246 64.414 62.300 -0.220 0.000 1.087 185 V CB -0.783 30.927 31.823 -0.188 0.000 0.674 185 V HN 0.537 nan 8.190 nan 0.000 0.470 186 S N -0.750 114.999 115.700 0.082 0.000 2.383 186 S HA -0.189 4.281 4.470 0.000 0.000 0.227 186 S C 2.031 176.762 174.600 0.217 0.000 1.026 186 S CA 1.423 59.801 58.200 0.297 0.000 0.981 186 S CB -0.210 63.136 63.200 0.244 0.000 0.818 186 S HN 0.505 nan 8.310 nan 0.000 0.472 187 K N 1.189 121.651 120.400 0.102 0.000 2.148 187 K HA 0.105 4.425 4.320 0.000 0.000 0.204 187 K C 2.127 178.755 176.600 0.047 0.000 1.050 187 K CA 0.708 57.045 56.287 0.084 0.000 0.942 187 K CB -0.040 32.491 32.500 0.052 0.000 0.724 187 K HN 0.092 nan 8.250 nan 0.000 0.446 188 R N -0.854 119.623 120.500 -0.039 0.000 2.276 188 R HA -0.014 4.326 4.340 0.000 0.000 0.203 188 R C 1.155 177.431 176.300 -0.039 0.000 1.017 188 R CA 0.620 56.670 56.100 -0.083 0.000 1.010 188 R CB 0.049 30.240 30.300 -0.182 0.000 0.900 188 R HN 0.104 nan 8.270 nan 0.000 0.469 189 F N 0.569 120.548 119.950 0.048 0.000 2.149 189 F HA 0.056 4.583 4.527 0.000 0.000 0.294 189 F C 2.249 178.082 175.800 0.055 0.000 1.095 189 F CA 0.993 59.026 58.000 0.055 0.000 1.276 189 F CB -0.359 38.684 39.000 0.072 0.000 1.023 189 F HN -0.103 nan 8.300 nan 0.000 0.480 190 R N -0.634 120.025 120.500 0.264 0.000 2.083 190 R HA -0.173 4.167 4.340 0.000 0.000 0.237 190 R C 2.476 178.841 176.300 0.107 0.000 1.137 190 R CA 1.710 57.905 56.100 0.159 0.000 0.951 190 R CB -1.033 29.343 30.300 0.127 0.000 0.851 190 R HN 0.171 nan 8.270 nan 0.000 0.434 191 S N 0.581 116.335 115.700 0.088 0.000 2.344 191 S HA -0.082 4.388 4.470 0.000 0.000 0.217 191 S C 1.988 176.623 174.600 0.058 0.000 1.033 191 S CA 0.998 59.231 58.200 0.055 0.000 1.017 191 S CB -0.105 63.114 63.200 0.032 0.000 0.941 191 S HN 0.138 nan 8.310 nan 0.000 0.430 192 I N 1.701 122.313 120.570 0.069 0.000 2.315 192 I HA -0.127 4.043 4.170 0.000 0.000 0.251 192 I C 2.614 178.778 176.117 0.079 0.000 1.125 192 I CA 1.417 62.758 61.300 0.068 0.000 1.392 192 I CB -1.797 36.254 38.000 0.085 0.000 1.065 192 I HN 0.361 nan 8.210 nan 0.000 0.424 193 S N 0.314 116.077 115.700 0.106 0.000 2.357 193 S HA -0.167 4.303 4.470 0.000 0.000 0.221 193 S C 2.139 176.777 174.600 0.062 0.000 1.031 193 S CA 1.041 59.297 58.200 0.093 0.000 0.982 193 S CB -0.086 63.175 63.200 0.102 0.000 0.853 193 S HN 0.295 nan 8.310 nan 0.000 0.458 194 K N 1.822 122.253 120.400 0.052 0.000 2.000 194 K HA -0.173 4.147 4.320 0.000 0.000 0.218 194 K C 1.733 178.340 176.600 0.011 0.000 1.053 194 K CA 2.091 58.397 56.287 0.031 0.000 0.946 194 K CB -1.014 31.502 32.500 0.027 0.000 0.723 194 K HN 0.405 nan 8.250 nan 0.000 0.446 195 N N 0.997 119.702 118.700 0.008 0.000 2.149 195 N HA -0.201 4.539 4.740 0.000 0.000 0.188 195 N C 1.907 177.399 175.510 -0.030 0.000 1.019 195 N CA 1.431 54.475 53.050 -0.011 0.000 0.857 195 N CB -0.339 38.144 38.487 -0.006 0.000 0.997 195 N HN 0.368 nan 8.380 nan 0.000 0.426 196 M N 1.146 120.735 119.600 -0.018 0.000 2.202 196 M HA -0.234 4.246 4.480 0.000 0.000 0.262 196 M C 1.815 178.043 176.300 -0.120 0.000 1.063 196 M CA 1.463 56.736 55.300 -0.044 0.000 1.097 196 M CB 0.068 32.672 32.600 0.007 0.000 1.382 196 M HN 0.160 nan 8.290 nan 0.000 0.413 197 Q N 0.157 119.904 119.800 -0.089 0.000 1.916 197 Q HA -0.164 4.176 4.340 0.000 0.000 0.203 197 Q C 1.663 177.563 176.000 -0.166 0.000 0.983 197 Q CA 2.104 57.817 55.803 -0.150 0.000 0.846 197 Q CB -0.549 28.180 28.738 -0.015 0.000 0.909 197 Q HN 0.660 nan 8.270 nan 0.000 0.427 198 N N -0.066 118.582 118.700 -0.087 0.000 2.111 198 N HA -0.226 4.514 4.740 0.000 0.000 0.197 198 N C 1.815 177.262 175.510 -0.104 0.000 1.011 198 N CA 1.653 54.657 53.050 -0.076 0.000 0.880 198 N CB -0.274 38.185 38.487 -0.047 0.000 1.031 198 N HN 0.234 nan 8.380 nan 0.000 0.444 199 T N 1.232 115.717 114.554 -0.115 0.000 2.607 199 T HA -0.205 4.145 4.350 0.000 0.000 0.267 199 T C 1.890 176.488 174.700 -0.170 0.000 1.049 199 T CA 1.420 63.444 62.100 -0.127 0.000 1.162 199 T CB -0.305 68.493 68.868 -0.118 0.000 0.863 199 T HN 0.175 nan 8.240 nan 0.000 0.424 200 M N 1.516 120.966 119.600 -0.251 0.000 2.144 200 M HA -0.022 4.458 4.480 0.000 0.000 0.260 200 M C 2.217 178.391 176.300 -0.210 0.000 1.067 200 M CA 1.733 56.842 55.300 -0.318 0.000 1.095 200 M CB -1.112 31.069 32.600 -0.699 0.000 1.365 200 M HN 0.275 nan 8.290 nan 0.000 0.406 201 G N -0.843 107.852 108.800 -0.174 0.000 2.446 201 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 201 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 201 G C 1.410 176.268 174.900 -0.069 0.000 1.168 201 G CA 0.880 45.924 45.100 -0.094 0.000 0.771 201 G HN 0.625 nan 8.290 nan 0.000 0.551 202 Q N -0.106 119.645 119.800 -0.081 0.000 2.124 202 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 202 Q C 2.847 178.808 176.000 -0.066 0.000 0.977 202 Q CA 1.234 56.998 55.803 -0.065 0.000 0.850 202 Q CB -0.284 28.410 28.738 -0.073 0.000 0.901 202 Q HN 0.400 nan 8.270 nan 0.000 0.429 203 V N 0.888 120.737 119.914 -0.107 0.000 2.324 203 V HA -0.305 3.815 4.120 0.000 0.000 0.250 203 V C 2.195 178.303 176.094 0.024 0.000 1.060 203 V CA 2.247 64.470 62.300 -0.128 0.000 1.042 203 V CB -1.049 30.680 31.823 -0.157 0.000 0.650 203 V HN 0.434 nan 8.190 nan 0.000 0.450 204 T N -0.260 114.303 114.554 0.015 0.000 2.595 204 T HA -0.227 4.123 4.350 0.000 0.000 0.264 204 T C 1.980 176.715 174.700 0.058 0.000 1.058 204 T CA 2.294 64.424 62.100 0.051 0.000 1.166 204 T CB -0.578 68.304 68.868 0.024 0.000 0.863 204 T HN 0.571 nan 8.240 nan 0.000 0.415 205 T N 1.721 116.290 114.554 0.026 0.000 2.597 205 T HA -0.195 4.155 4.350 0.000 0.000 0.267 205 T C 2.256 176.987 174.700 0.053 0.000 1.053 205 T CA 1.816 63.930 62.100 0.024 0.000 1.165 205 T CB -0.767 68.101 68.868 0.001 0.000 0.863 205 T HN 0.394 nan 8.240 nan 0.000 0.427 206 S N 0.561 116.307 115.700 0.077 0.000 2.419 206 S HA -0.092 4.378 4.470 0.000 0.000 0.235 206 S C 2.221 176.933 174.600 0.186 0.000 1.019 206 S CA 1.325 59.607 58.200 0.136 0.000 0.982 206 S CB -0.453 62.850 63.200 0.171 0.000 0.789 206 S HN 0.550 nan 8.310 nan 0.000 0.490 207 A N 0.815 123.758 122.820 0.205 0.000 1.898 207 A HA 0.016 4.336 4.320 0.000 0.000 0.214 207 A C 2.052 179.662 177.584 0.043 0.000 1.183 207 A CA 1.383 53.501 52.037 0.135 0.000 0.622 207 A CB -0.736 18.368 19.000 0.175 0.000 0.824 207 A HN 0.716 nan 8.150 nan 0.000 0.444 208 E N -0.423 119.803 120.200 0.044 0.000 2.023 208 E HA -0.272 4.078 4.350 0.000 0.000 0.196 208 E C 2.075 178.677 176.600 0.002 0.000 1.003 208 E CA 1.462 57.872 56.400 0.017 0.000 0.809 208 E CB -0.194 29.516 29.700 0.017 0.000 0.755 208 E HN 0.502 nan 8.360 nan 0.000 0.449 209 Q N 0.355 120.160 119.800 0.008 0.000 2.062 209 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 209 Q C 2.173 178.159 176.000 -0.023 0.000 0.996 209 Q CA 2.006 57.803 55.803 -0.010 0.000 0.859 209 Q CB -0.857 27.884 28.738 0.005 0.000 0.920 209 Q HN 0.404 nan 8.270 nan 0.000 0.415 210 M N 0.575 120.170 119.600 -0.008 0.000 2.226 210 M HA -0.211 4.269 4.480 0.000 0.000 0.257 210 M C 1.652 177.930 176.300 -0.037 0.000 1.070 210 M CA 1.793 57.076 55.300 -0.028 0.000 1.087 210 M CB -0.764 31.801 32.600 -0.059 0.000 1.278 210 M HN 0.170 nan 8.290 nan 0.000 0.426 211 L N 0.127 121.321 121.223 -0.049 0.000 2.005 211 L HA -0.140 4.200 4.340 0.000 0.000 0.207 211 L C 2.453 179.312 176.870 -0.017 0.000 1.072 211 L CA 1.765 56.571 54.840 -0.057 0.000 0.744 211 L CB -2.148 39.872 42.059 -0.064 0.000 0.895 211 L HN 0.343 nan 8.230 nan 0.000 0.433 212 K N 0.157 120.546 120.400 -0.018 0.000 2.127 212 K HA -0.139 4.181 4.320 0.000 0.000 0.208 212 K C 1.736 178.321 176.600 -0.025 0.000 1.047 212 K CA 1.463 57.741 56.287 -0.015 0.000 0.927 212 K CB -0.774 31.713 32.500 -0.022 0.000 0.716 212 K HN 0.452 nan 8.250 nan 0.000 0.450 213 G N -0.082 108.687 108.800 -0.052 0.000 3.314 213 G HA2 -0.103 3.857 3.960 0.000 0.000 0.238 213 G HA3 -0.103 3.857 3.960 0.000 0.000 0.238 213 G C 0.983 175.832 174.900 -0.084 0.000 1.184 213 G CA -0.111 44.919 45.100 -0.116 0.000 0.806 213 G HN 0.275 nan 8.290 nan 0.000 0.536 214 H N 2.049 121.053 119.070 -0.111 0.000 2.261 214 H HA -0.163 4.393 4.556 0.000 0.000 0.290 214 H C 2.534 177.813 175.328 -0.081 0.000 1.081 214 H CA 2.051 58.048 56.048 -0.085 0.000 1.196 214 H CB 0.261 29.990 29.762 -0.055 0.000 1.350 214 H HN 0.094 nan 8.280 nan 0.000 0.498 215 K N 0.437 120.749 120.400 -0.147 0.000 2.049 215 K HA -0.219 4.101 4.320 0.000 0.000 0.219 215 K C 2.172 178.667 176.600 -0.176 0.000 1.056 215 K CA 1.952 58.123 56.287 -0.194 0.000 0.946 215 K CB -0.702 31.741 32.500 -0.094 0.000 0.723 215 K HN 0.408 nan 8.250 nan 0.000 0.453 216 E N 0.592 120.690 120.200 -0.170 0.000 2.019 216 E HA -0.154 4.196 4.350 0.000 0.000 0.208 216 E C 2.085 178.585 176.600 -0.166 0.000 1.030 216 E CA 1.386 57.662 56.400 -0.207 0.000 0.856 216 E CB -0.793 28.653 29.700 -0.423 0.000 0.781 216 E HN 0.062 nan 8.360 nan 0.000 0.471 217 V N 0.644 120.369 119.914 -0.314 0.000 2.680 217 V HA -0.298 3.822 4.120 0.000 0.000 0.267 217 V C 1.952 178.109 176.094 0.105 0.000 1.137 217 V CA 1.469 63.740 62.300 -0.047 0.000 1.143 217 V CB -0.682 31.127 31.823 -0.023 0.000 0.711 217 V HN 0.137 nan 8.190 nan 0.000 0.490 218 L N -0.534 120.677 121.223 -0.019 0.000 2.116 218 L HA 0.091 4.431 4.340 0.000 0.000 0.200 218 L C 2.212 179.105 176.870 0.039 0.000 1.084 218 L CA 2.036 56.862 54.840 -0.023 0.000 0.766 218 L CB -0.674 41.299 42.059 -0.145 0.000 0.930 218 L HN 0.420 nan 8.230 nan 0.000 0.453 219 I N -4.408 116.182 120.570 0.034 0.000 2.546 219 I HA -0.174 3.996 4.170 0.000 0.000 0.255 219 I C 2.482 178.673 176.117 0.123 0.000 1.163 219 I CA 0.833 62.164 61.300 0.052 0.000 1.457 219 I CB -0.562 37.456 38.000 0.030 0.000 1.092 219 I HN 0.065 nan 8.210 nan 0.000 0.434 220 F N 3.635 123.566 119.950 -0.032 0.000 2.037 220 F HA -0.138 4.389 4.527 0.000 0.000 0.296 220 F C 1.826 177.617 175.800 -0.015 0.000 1.132 220 F CA 2.193 60.181 58.000 -0.020 0.000 1.211 220 F CB -1.000 37.990 39.000 -0.016 0.000 0.951 220 F HN 0.392 nan 8.300 nan 0.000 0.503 221 G N -1.271 107.600 108.800 0.118 0.000 2.427 221 G HA2 0.173 4.133 3.960 0.000 0.000 0.193 221 G HA3 0.173 4.133 3.960 0.000 0.000 0.193 221 G C 0.328 175.176 174.900 -0.087 0.000 1.086 221 G CA 0.142 45.234 45.100 -0.012 0.000 0.818 221 G HN 1.374 nan 8.290 nan 0.000 0.490 222 G N -0.342 108.477 108.800 0.030 0.000 5.364 222 G HA2 0.438 4.398 3.960 0.000 0.000 0.220 222 G HA3 0.438 4.398 3.960 0.000 0.000 0.220 222 G C 1.110 176.106 174.900 0.161 0.000 0.838 222 G CA 0.956 46.066 45.100 0.016 0.000 0.727 222 G HN 0.633 nan 8.290 nan 0.000 0.303 223 Q N 1.287 121.179 119.800 0.154 0.000 2.152 223 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 223 Q C 1.647 177.702 176.000 0.091 0.000 0.985 223 Q CA 2.187 58.068 55.803 0.128 0.000 0.863 223 Q CB -0.422 28.370 28.738 0.091 0.000 0.904 223 Q HN 0.599 nan 8.270 nan 0.000 0.422 224 E N 1.195 121.435 120.200 0.067 0.000 2.216 224 E HA -0.023 4.327 4.350 0.000 0.000 0.192 224 E C 2.093 178.728 176.600 0.059 0.000 0.988 224 E CA 0.941 57.373 56.400 0.052 0.000 0.834 224 E CB -0.786 28.934 29.700 0.033 0.000 0.772 224 E HN 0.158 nan 8.360 nan 0.000 0.479 225 V N 1.432 121.382 119.914 0.061 0.000 2.490 225 V HA -0.214 3.906 4.120 0.000 0.000 0.250 225 V C 2.142 178.295 176.094 0.098 0.000 1.061 225 V CA 1.979 64.315 62.300 0.059 0.000 1.064 225 V CB -0.486 31.359 31.823 0.037 0.000 0.670 225 V HN 0.230 nan 8.190 nan 0.000 0.461 226 E N 0.162 120.437 120.200 0.126 0.000 2.046 226 E HA -0.126 4.224 4.350 0.000 0.000 0.190 226 E C 2.381 179.056 176.600 0.125 0.000 0.982 226 E CA 1.683 58.162 56.400 0.131 0.000 0.800 226 E CB -0.744 29.027 29.700 0.119 0.000 0.756 226 E HN 0.583 nan 8.360 nan 0.000 0.449 227 T N 2.170 116.780 114.554 0.094 0.000 2.624 227 T HA -0.234 4.116 4.350 0.000 0.000 0.268 227 T C 1.883 176.666 174.700 0.138 0.000 1.041 227 T CA 2.025 64.183 62.100 0.098 0.000 1.159 227 T CB -0.198 68.707 68.868 0.063 0.000 0.863 227 T HN 0.180 nan 8.240 nan 0.000 0.434 228 K N 1.007 121.467 120.400 0.099 0.000 2.020 228 K HA -0.212 4.108 4.320 0.000 0.000 0.212 228 K C 2.526 179.182 176.600 0.094 0.000 1.050 228 K CA 1.751 58.087 56.287 0.082 0.000 0.929 228 K CB -0.230 32.303 32.500 0.055 0.000 0.714 228 K HN 0.180 nan 8.250 nan 0.000 0.443 229 R N -0.500 120.063 120.500 0.105 0.000 2.103 229 R HA -0.196 4.144 4.340 0.000 0.000 0.242 229 R C 2.284 178.650 176.300 0.110 0.000 1.142 229 R CA 1.951 58.108 56.100 0.095 0.000 0.960 229 R CB -0.445 29.919 30.300 0.107 0.000 0.858 229 R HN 0.289 nan 8.270 nan 0.000 0.439 230 F N 1.695 121.654 119.950 0.014 0.000 2.084 230 F HA -0.201 4.326 4.527 0.000 0.000 0.296 230 F C 1.892 177.695 175.800 0.004 0.000 1.111 230 F CA 1.934 59.939 58.000 0.008 0.000 1.224 230 F CB -0.232 38.774 39.000 0.010 0.000 0.991 230 F HN 0.081 nan 8.300 nan 0.000 0.471 231 D N 0.263 120.756 120.400 0.155 0.000 2.133 231 D HA -0.264 4.376 4.640 0.000 0.000 0.195 231 D C 2.153 178.427 176.300 -0.043 0.000 0.997 231 D CA 1.579 55.613 54.000 0.056 0.000 0.840 231 D CB -0.443 40.405 40.800 0.080 0.000 0.947 231 D HN 0.333 nan 8.370 nan 0.000 0.452 232 K N 0.764 121.144 120.400 -0.033 0.000 2.057 232 K HA -0.103 4.217 4.320 0.000 0.000 0.207 232 K C 2.074 178.610 176.600 -0.107 0.000 1.049 232 K CA 0.782 57.039 56.287 -0.051 0.000 0.931 232 K CB 0.115 32.600 32.500 -0.024 0.000 0.714 232 K HN -0.074 nan 8.250 nan 0.000 0.440 233 V N 1.148 120.957 119.914 -0.176 0.000 2.346 233 V HA -0.228 3.892 4.120 0.000 0.000 0.244 233 V C 2.373 178.283 176.094 -0.306 0.000 1.037 233 V CA 1.837 63.996 62.300 -0.234 0.000 1.029 233 V CB -0.261 31.399 31.823 -0.272 0.000 0.663 233 V HN 0.553 nan 8.190 nan 0.000 0.454 234 S N 1.406 116.817 115.700 -0.482 0.000 2.369 234 S HA -0.376 4.094 4.470 0.000 0.000 0.225 234 S C 1.850 176.336 174.600 -0.189 0.000 1.043 234 S CA 2.302 60.258 58.200 -0.406 0.000 1.074 234 S CB -1.024 61.938 63.200 -0.397 0.000 0.962 234 S HN 0.599 nan 8.310 nan 0.000 0.433 235 N N 2.019 120.639 118.700 -0.133 0.000 2.036 235 N HA -0.179 4.561 4.740 0.000 0.000 0.195 235 N C 1.675 177.142 175.510 -0.073 0.000 1.037 235 N CA 1.964 54.970 53.050 -0.073 0.000 0.855 235 N CB -0.497 37.961 38.487 -0.048 0.000 1.033 235 N HN 0.630 nan 8.380 nan 0.000 0.423 236 K N -0.878 119.470 120.400 -0.086 0.000 2.442 236 K HA -0.194 4.126 4.320 0.000 0.000 0.200 236 K C 1.688 178.241 176.600 -0.078 0.000 1.045 236 K CA 1.025 57.268 56.287 -0.074 0.000 0.937 236 K CB -0.086 32.367 32.500 -0.079 0.000 0.757 236 K HN 0.282 nan 8.250 nan 0.000 0.474 237 M N 0.880 120.422 119.600 -0.097 0.000 2.257 237 M HA -0.047 4.433 4.480 0.000 0.000 0.260 237 M C 1.917 178.185 176.300 -0.053 0.000 1.102 237 M CA 1.123 56.368 55.300 -0.091 0.000 1.169 237 M CB -0.127 32.400 32.600 -0.121 0.000 1.323 237 M HN 0.060 nan 8.290 nan 0.000 0.447 238 R N 0.492 120.966 120.500 -0.044 0.000 2.139 238 R HA -0.159 4.181 4.340 0.000 0.000 0.243 238 R C 1.598 177.892 176.300 -0.010 0.000 1.145 238 R CA 1.996 58.085 56.100 -0.018 0.000 0.976 238 R CB -1.333 28.960 30.300 -0.013 0.000 0.866 238 R HN 0.463 nan 8.270 nan 0.000 0.449 239 L N 0.026 121.238 121.223 -0.018 0.000 2.416 239 L HA 0.058 4.398 4.340 0.000 0.000 0.216 239 L C 2.560 179.425 176.870 -0.008 0.000 1.098 239 L CA 0.364 55.198 54.840 -0.010 0.000 0.840 239 L CB -0.231 41.819 42.059 -0.015 0.000 0.981 239 L HN 0.161 nan 8.230 nan 0.000 0.462 240 Q N 1.004 120.793 119.800 -0.018 0.000 2.016 240 Q HA -0.091 4.249 4.340 0.000 0.000 0.200 240 Q C 2.157 178.161 176.000 0.007 0.000 0.978 240 Q CA 2.163 57.958 55.803 -0.014 0.000 0.833 240 Q CB -0.589 28.128 28.738 -0.035 0.000 0.895 240 Q HN 0.333 nan 8.270 nan 0.000 0.427 241 G N 0.138 108.944 108.800 0.009 0.000 2.404 241 G HA2 -0.280 3.680 3.960 0.000 0.000 0.215 241 G HA3 -0.280 3.680 3.960 0.000 0.000 0.215 241 G C 1.417 176.343 174.900 0.043 0.000 1.174 241 G CA 1.021 46.142 45.100 0.035 0.000 0.780 241 G HN 0.391 nan 8.290 nan 0.000 0.537 242 M N 0.421 120.039 119.600 0.029 0.000 2.144 242 M HA -0.042 4.438 4.480 0.000 0.000 0.260 242 M C 2.292 178.614 176.300 0.037 0.000 1.067 242 M CA 1.645 56.964 55.300 0.031 0.000 1.095 242 M CB -0.184 32.428 32.600 0.019 0.000 1.365 242 M HN 0.191 nan 8.290 nan 0.000 0.406 243 K N -0.230 120.188 120.400 0.030 0.000 2.032 243 K HA -0.186 4.134 4.320 0.000 0.000 0.209 243 K C 2.026 178.656 176.600 0.050 0.000 1.048 243 K CA 2.134 58.438 56.287 0.028 0.000 0.927 243 K CB -0.529 31.981 32.500 0.017 0.000 0.712 243 K HN 0.514 nan 8.250 nan 0.000 0.441 244 M N 0.119 119.766 119.600 0.079 0.000 2.077 244 M HA -0.147 4.333 4.480 0.000 0.000 0.261 244 M C 1.961 178.373 176.300 0.187 0.000 1.070 244 M CA 2.039 57.428 55.300 0.148 0.000 1.125 244 M CB -0.172 32.541 32.600 0.188 0.000 1.339 244 M HN 0.099 nan 8.290 nan 0.000 0.409 245 V N -1.946 118.048 119.914 0.133 0.000 2.324 245 V HA -0.222 3.898 4.120 0.000 0.000 0.250 245 V C 2.002 178.162 176.094 0.110 0.000 1.060 245 V CA 2.476 64.847 62.300 0.118 0.000 1.042 245 V CB -1.425 30.442 31.823 0.073 0.000 0.650 245 V HN 0.531 nan 8.190 nan 0.000 0.450 246 S N 0.711 116.459 115.700 0.079 0.000 2.387 246 S HA 0.095 4.565 4.470 0.000 0.000 0.226 246 S C 2.263 176.898 174.600 0.058 0.000 1.026 246 S CA 1.382 59.617 58.200 0.057 0.000 0.972 246 S CB -0.570 62.651 63.200 0.035 0.000 0.814 246 S HN 0.962 nan 8.310 nan 0.000 0.477 247 A N 0.587 123.440 122.820 0.055 0.000 1.972 247 A HA -0.075 4.245 4.320 0.000 0.000 0.219 247 A C 2.234 179.840 177.584 0.038 0.000 1.169 247 A CA 1.887 53.922 52.037 -0.004 0.000 0.635 247 A CB -0.752 18.204 19.000 -0.073 0.000 0.810 247 A HN 0.461 nan 8.150 nan 0.000 0.446 248 S N -1.081 114.758 115.700 0.231 0.000 2.414 248 S HA -0.085 4.385 4.470 0.000 0.000 0.227 248 S C 2.297 177.020 174.600 0.206 0.000 1.022 248 S CA 1.475 59.924 58.200 0.415 0.000 0.958 248 S CB -0.390 63.087 63.200 0.461 0.000 0.797 248 S HN 0.649 nan 8.310 nan 0.000 0.493 249 S N 1.863 117.639 115.700 0.127 0.000 2.348 249 S HA -0.110 4.360 4.470 0.000 0.000 0.221 249 S C 1.919 176.556 174.600 0.062 0.000 1.033 249 S CA 1.575 59.824 58.200 0.080 0.000 1.010 249 S CB -0.745 62.490 63.200 0.058 0.000 0.891 249 S HN 0.711 nan 8.310 nan 0.000 0.442 250 I N -0.368 120.231 120.570 0.047 0.000 2.676 250 I HA 0.052 4.222 4.170 0.000 0.000 0.259 250 I C 2.287 178.422 176.117 0.030 0.000 1.194 250 I CA 1.367 62.683 61.300 0.028 0.000 1.473 250 I CB -0.654 37.352 38.000 0.010 0.000 1.096 250 I HN 0.273 nan 8.210 nan 0.000 0.443 251 S N 1.375 117.104 115.700 0.049 0.000 2.382 251 S HA -0.195 4.275 4.470 0.000 0.000 0.228 251 S C 1.644 176.285 174.600 0.068 0.000 1.027 251 S CA 1.896 60.131 58.200 0.058 0.000 0.991 251 S CB -0.428 62.849 63.200 0.128 0.000 0.823 251 S HN 0.575 nan 8.310 nan 0.000 0.469 252 D N 1.182 121.627 120.400 0.074 0.000 2.077 252 D HA -0.014 4.626 4.640 0.000 0.000 0.197 252 D C -0.599 175.723 176.300 0.037 0.000 0.983 252 D CA 1.247 55.281 54.000 0.056 0.000 0.841 252 D CB -1.890 38.942 40.800 0.053 0.000 0.992 252 D HN 0.296 nan 8.370 nan 0.000 0.450 253 P HA -0.120 nan 4.420 nan 0.000 0.218 253 P C 1.514 178.826 177.300 0.020 0.000 1.146 253 P CA 0.804 63.918 63.100 0.024 0.000 0.820 253 P CB 0.050 31.763 31.700 0.022 0.000 0.778 254 I N -1.765 118.817 120.570 0.019 0.000 2.315 254 I HA -0.158 4.012 4.170 0.000 0.000 0.248 254 I C 2.038 178.164 176.117 0.014 0.000 1.117 254 I CA 1.378 62.686 61.300 0.013 0.000 1.404 254 I CB -1.156 36.849 38.000 0.007 0.000 1.071 254 I HN -0.041 nan 8.210 nan 0.000 0.419 255 I N 0.498 121.079 120.570 0.019 0.000 2.676 255 I HA -0.200 3.970 4.170 0.000 0.000 0.259 255 I C 2.531 178.657 176.117 0.015 0.000 1.194 255 I CA 0.992 62.303 61.300 0.017 0.000 1.473 255 I CB -0.412 37.602 38.000 0.024 0.000 1.096 255 I HN 0.257 nan 8.210 nan 0.000 0.443 256 Q N -0.596 119.214 119.800 0.017 0.000 2.167 256 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 256 Q C 2.242 178.252 176.000 0.016 0.000 0.970 256 Q CA 1.178 56.990 55.803 0.016 0.000 0.855 256 Q CB -0.251 28.498 28.738 0.017 0.000 0.911 256 Q HN 0.395 nan 8.270 nan 0.000 0.438 257 L N 0.952 122.184 121.223 0.016 0.000 1.989 257 L HA -0.193 4.147 4.340 0.000 0.000 0.211 257 L C 2.026 178.907 176.870 0.017 0.000 1.071 257 L CA 1.692 56.542 54.840 0.017 0.000 0.749 257 L CB -0.392 41.674 42.059 0.013 0.000 0.890 257 L HN 0.161 nan 8.230 nan 0.000 0.431 258 I N -0.464 120.113 120.570 0.011 0.000 2.361 258 I HA -0.293 3.877 4.170 0.000 0.000 0.251 258 I C 2.536 178.659 176.117 0.010 0.000 1.133 258 I CA 1.097 62.401 61.300 0.008 0.000 1.413 258 I CB -0.708 37.291 38.000 -0.001 0.000 1.073 258 I HN 0.384 nan 8.210 nan 0.000 0.424 259 A N 0.160 122.986 122.820 0.010 0.000 1.872 259 A HA -0.143 4.177 4.320 0.000 0.000 0.214 259 A C 2.415 180.013 177.584 0.022 0.000 1.187 259 A CA 1.833 53.875 52.037 0.008 0.000 0.614 259 A CB -0.701 18.301 19.000 0.003 0.000 0.826 259 A HN 0.360 nan 8.150 nan 0.000 0.442 260 S N -0.416 115.302 115.700 0.030 0.000 2.547 260 S HA 0.015 4.485 4.470 0.000 0.000 0.235 260 S C 1.625 176.265 174.600 0.067 0.000 0.980 260 S CA 0.851 59.080 58.200 0.048 0.000 0.941 260 S CB -0.273 62.952 63.200 0.042 0.000 0.763 260 S HN 0.512 nan 8.310 nan 0.000 0.532 261 L N 0.881 122.139 121.223 0.058 0.000 2.084 261 L HA 0.088 4.428 4.340 0.000 0.000 0.202 261 L C 2.441 179.384 176.870 0.120 0.000 1.074 261 L CA 1.015 55.901 54.840 0.076 0.000 0.757 261 L CB -0.547 41.542 42.059 0.050 0.000 0.918 261 L HN 0.345 nan 8.230 nan 0.000 0.444 262 A N -0.295 122.569 122.820 0.074 0.000 2.015 262 A HA -0.149 4.171 4.320 0.000 0.000 0.219 262 A C 2.096 179.761 177.584 0.134 0.000 1.163 262 A CA 1.049 53.120 52.037 0.057 0.000 0.646 262 A CB -0.588 18.394 19.000 -0.030 0.000 0.806 262 A HN 0.464 nan 8.150 nan 0.000 0.448 263 L N -0.557 120.744 121.223 0.129 0.000 2.095 263 L HA 0.004 4.344 4.340 0.000 0.000 0.204 263 L C 2.523 179.556 176.870 0.272 0.000 1.080 263 L CA 2.160 57.107 54.840 0.178 0.000 0.759 263 L CB -1.188 40.932 42.059 0.102 0.000 0.914 263 L HN 0.377 nan 8.230 nan 0.000 0.439 264 A N -0.934 122.015 122.820 0.215 0.000 2.014 264 A HA -0.240 4.080 4.320 0.000 0.000 0.218 264 A C 2.059 179.780 177.584 0.228 0.000 1.163 264 A CA 1.022 53.176 52.037 0.194 0.000 0.652 264 A CB -0.839 18.235 19.000 0.124 0.000 0.808 264 A HN 0.468 nan 8.150 nan 0.000 0.449 265 F N 0.548 120.557 119.950 0.098 0.000 2.216 265 F HA -0.113 4.414 4.527 0.000 0.000 0.300 265 F C 2.132 178.024 175.800 0.153 0.000 1.085 265 F CA 1.506 59.569 58.000 0.104 0.000 1.326 265 F CB -0.149 38.882 39.000 0.050 0.000 1.027 265 F HN 0.036 nan 8.300 nan 0.000 0.497 266 V N -0.168 120.017 119.914 0.451 0.000 2.427 266 V HA -0.265 3.855 4.120 0.000 0.000 0.248 266 V C 2.338 178.553 176.094 0.202 0.000 1.051 266 V CA 1.464 63.971 62.300 0.345 0.000 1.048 266 V CB -0.649 31.402 31.823 0.380 0.000 0.666 266 V HN 0.252 nan 8.190 nan 0.000 0.456 267 L N -1.168 120.154 121.223 0.165 0.000 2.141 267 L HA -0.157 4.183 4.340 0.000 0.000 0.209 267 L C 2.275 179.200 176.870 0.093 0.000 1.094 267 L CA 1.837 56.703 54.840 0.044 0.000 0.763 267 L CB -0.846 41.237 42.059 0.040 0.000 0.908 267 L HN 0.465 nan 8.230 nan 0.000 0.437 268 Y N -0.173 120.130 120.300 0.004 0.000 2.314 268 Y HA -0.080 4.470 4.550 0.000 0.000 0.293 268 Y C 2.133 178.072 175.900 0.065 0.000 1.129 268 Y CA 1.058 59.157 58.100 -0.001 0.000 1.201 268 Y CB -0.065 38.281 38.460 -0.190 0.000 0.999 268 Y HN 0.096 nan 8.280 nan 0.000 0.541 269 A N -0.822 122.013 122.820 0.025 0.000 2.307 269 A HA 0.493 4.813 4.320 0.000 0.000 0.218 269 A C 1.838 179.428 177.584 0.010 0.000 1.228 269 A CA 0.610 52.645 52.037 -0.004 0.000 0.857 269 A CB -0.831 18.244 19.000 0.125 0.000 0.897 269 A HN 0.462 nan 8.150 nan 0.000 0.495 270 A N -1.412 121.402 122.820 -0.011 0.000 2.197 270 A HA 0.265 4.585 4.320 0.000 0.000 0.210 270 A C 2.027 179.542 177.584 -0.115 0.000 1.180 270 A CA 1.152 53.155 52.037 -0.057 0.000 0.846 270 A CB -0.239 18.706 19.000 -0.092 0.000 0.884 270 A HN 0.390 nan 8.150 nan 0.000 0.487 271 S N -1.587 114.026 115.700 -0.146 0.000 2.458 271 S HA 0.136 4.606 4.470 0.000 0.000 0.223 271 S C 1.206 175.445 174.600 -0.601 0.000 1.019 271 S CA 1.006 58.983 58.200 -0.372 0.000 0.937 271 S CB -0.239 62.696 63.200 -0.441 0.000 0.788 271 S HN 0.461 nan 8.310 nan 0.000 0.511 272 F N 0.676 120.487 119.950 -0.231 0.000 2.537 272 F HA 0.396 4.923 4.527 0.000 0.000 0.275 272 F C -1.193 174.522 175.800 -0.141 0.000 0.947 272 F CA -0.335 57.544 58.000 -0.201 0.000 1.238 272 F CB -1.347 37.484 39.000 -0.282 0.000 1.071 272 F HN 0.034 nan 8.300 nan 0.000 0.749 273 P HA -0.112 nan 4.420 nan 0.000 0.219 273 P C 1.784 179.085 177.300 0.003 0.000 1.150 273 P CA 1.821 64.934 63.100 0.022 0.000 0.814 273 P CB 0.068 31.774 31.700 0.011 0.000 0.787 274 S N -0.959 114.730 115.700 -0.019 0.000 2.436 274 S HA -0.032 4.438 4.470 0.000 0.000 0.228 274 S C 1.211 175.788 174.600 -0.038 0.000 1.014 274 S CA 0.514 58.697 58.200 -0.027 0.000 0.950 274 S CB -0.680 62.493 63.200 -0.045 0.000 0.784 274 S HN -0.146 nan 8.310 nan 0.000 0.504 275 V N 2.860 122.740 119.914 -0.057 0.000 3.099 275 V HA 0.375 4.495 4.120 0.000 0.000 0.387 275 V C 0.520 176.597 176.094 -0.027 0.000 1.358 275 V CA 0.271 62.531 62.300 -0.066 0.000 1.528 275 V CB 0.039 31.783 31.823 -0.132 0.000 1.342 275 V HN 0.594 nan 8.190 nan 0.000 0.513 276 M N -0.010 119.585 119.600 -0.009 0.000 4.816 276 M HA 0.173 4.653 4.480 0.000 0.000 0.611 276 M C -0.154 176.154 176.300 0.013 0.000 2.092 276 M CA 0.325 55.631 55.300 0.009 0.000 0.523 276 M CB -0.149 32.465 32.600 0.023 0.000 1.584 276 M HN 0.456 nan 8.290 nan 0.000 0.657 277 D N 0.904 121.306 120.400 0.003 0.000 3.301 277 D HA -0.243 4.397 4.640 0.000 0.000 0.217 277 D C 0.764 177.077 176.300 0.021 0.000 1.548 277 D CA 2.521 56.527 54.000 0.009 0.000 1.118 277 D CB -1.097 39.711 40.800 0.014 0.000 0.684 277 D HN 0.441 nan 8.370 nan 0.000 0.821 278 S N -2.976 112.744 115.700 0.033 0.000 2.378 278 S HA -0.290 4.180 4.470 0.000 0.000 0.240 278 S C 0.987 175.609 174.600 0.036 0.000 1.229 278 S CA 1.713 59.945 58.200 0.054 0.000 1.607 278 S CB -1.000 62.245 63.200 0.074 0.000 2.074 278 S HN 0.443 nan 8.310 nan 0.000 0.620 279 L N 0.260 121.494 121.223 0.019 0.000 2.641 279 L HA 0.152 4.492 4.340 0.000 0.000 0.207 279 L C 1.358 178.234 176.870 0.011 0.000 1.049 279 L CA 0.826 55.674 54.840 0.013 0.000 0.866 279 L CB -0.281 41.784 42.059 0.009 0.000 1.264 279 L HN 0.656 nan 8.230 nan 0.000 0.483 280 T N -0.967 113.589 114.554 0.003 0.000 0.541 280 T HA -0.385 3.965 4.350 0.000 0.000 0.774 280 T C 0.668 175.369 174.700 0.003 0.000 0.992 280 T CA 0.387 62.486 62.100 -0.000 0.000 4.077 280 T CB -0.985 67.887 68.868 0.006 0.000 2.303 280 T HN 0.319 nan 8.240 nan 0.000 0.398 281 A N 0.479 123.301 122.820 0.005 0.000 2.337 281 A HA 0.640 4.960 4.320 0.000 0.000 0.227 281 A C 2.010 179.612 177.584 0.030 0.000 1.259 281 A CA 1.076 53.119 52.037 0.010 0.000 0.870 281 A CB -0.915 18.086 19.000 0.003 0.000 0.927 281 A HN 1.495 nan 8.150 nan 0.000 0.497 282 G N -1.424 107.397 108.800 0.036 0.000 2.742 282 G HA2 0.092 4.052 3.960 0.000 0.000 0.204 282 G HA3 0.092 4.052 3.960 0.000 0.000 0.204 282 G C 1.308 176.257 174.900 0.081 0.000 1.126 282 G CA 1.129 46.261 45.100 0.054 0.000 0.829 282 G HN 0.342 nan 8.290 nan 0.000 0.574 283 T N 1.371 115.962 114.554 0.062 0.000 3.035 283 T HA 0.139 4.489 4.350 0.000 0.000 0.259 283 T C 1.823 176.589 174.700 0.111 0.000 1.078 283 T CA 0.021 62.169 62.100 0.079 0.000 1.132 283 T CB 0.172 69.045 68.868 0.007 0.000 0.900 283 T HN 0.081 nan 8.240 nan 0.000 0.480 284 I N 2.240 122.856 120.570 0.076 0.000 3.605 284 I HA 0.037 4.207 4.170 0.000 0.000 0.301 284 I C 0.834 177.018 176.117 0.111 0.000 1.267 284 I CA 0.828 62.170 61.300 0.070 0.000 1.236 284 I CB -0.896 37.100 38.000 -0.007 0.000 1.010 284 I HN 0.190 nan 8.210 nan 0.000 0.491 285 T N -1.111 113.530 114.554 0.144 0.000 3.098 285 T HA 0.096 4.446 4.350 0.000 0.000 0.246 285 T C 1.715 176.526 174.700 0.185 0.000 0.983 285 T CA 0.344 62.541 62.100 0.163 0.000 1.094 285 T CB 0.445 69.376 68.868 0.105 0.000 1.035 285 T HN 0.071 nan 8.240 nan 0.000 0.456 286 V N 1.508 121.530 119.914 0.181 0.000 2.599 286 V HA 0.028 4.148 4.120 0.000 0.000 0.245 286 V C 2.505 178.710 176.094 0.184 0.000 1.046 286 V CA 0.878 63.279 62.300 0.168 0.000 1.065 286 V CB -0.282 31.674 31.823 0.221 0.000 0.703 286 V HN 0.245 nan 8.190 nan 0.000 0.464 287 V N -0.487 119.592 119.914 0.275 0.000 2.548 287 V HA -0.168 3.952 4.120 0.000 0.000 0.249 287 V C 2.087 178.298 176.094 0.196 0.000 1.055 287 V CA 2.033 64.487 62.300 0.258 0.000 1.065 287 V CB -0.533 31.442 31.823 0.252 0.000 0.681 287 V HN 0.598 nan 8.190 nan 0.000 0.462 288 F N 0.537 120.532 119.950 0.074 0.000 2.270 288 F HA -0.021 4.506 4.527 0.000 0.000 0.295 288 F C 2.611 178.435 175.800 0.039 0.000 1.087 288 F CA 1.479 59.511 58.000 0.055 0.000 1.365 288 F CB -0.267 38.764 39.000 0.052 0.000 1.056 288 F HN 0.081 nan 8.300 nan 0.000 0.506 289 S N -1.116 114.576 115.700 -0.014 0.000 2.383 289 S HA -0.191 4.279 4.470 0.000 0.000 0.227 289 S C 2.329 176.839 174.600 -0.150 0.000 1.026 289 S CA 1.559 59.688 58.200 -0.119 0.000 0.981 289 S CB -0.834 62.373 63.200 0.011 0.000 0.818 289 S HN 0.451 nan 8.310 nan 0.000 0.472 290 S N -0.146 115.501 115.700 -0.088 0.000 2.453 290 S HA -0.004 4.466 4.470 0.000 0.000 0.231 290 S C 1.747 176.284 174.600 -0.104 0.000 1.005 290 S CA 1.203 59.347 58.200 -0.093 0.000 0.949 290 S CB -0.369 62.779 63.200 -0.087 0.000 0.774 290 S HN 0.598 nan 8.310 nan 0.000 0.510 291 M N 1.198 120.716 119.600 -0.137 0.000 2.115 291 M HA 0.243 4.723 4.480 0.000 0.000 0.261 291 M C 1.735 177.919 176.300 -0.193 0.000 1.079 291 M CA 1.442 56.660 55.300 -0.136 0.000 1.143 291 M CB -0.422 32.110 32.600 -0.114 0.000 1.332 291 M HN 0.346 nan 8.290 nan 0.000 0.421 292 I N 0.108 120.466 120.570 -0.354 0.000 2.850 292 I HA -0.188 3.982 4.170 0.000 0.000 0.266 292 I C 1.665 177.679 176.117 -0.173 0.000 1.257 292 I CA 1.168 62.286 61.300 -0.303 0.000 1.465 292 I CB -0.260 37.464 38.000 -0.462 0.000 1.091 292 I HN 0.431 nan 8.210 nan 0.000 0.467 293 A N 0.450 123.180 122.820 -0.149 0.000 1.862 293 A HA -0.111 4.209 4.320 0.000 0.000 0.211 293 A C 2.029 179.572 177.584 -0.068 0.000 1.220 293 A CA 0.494 52.474 52.037 -0.095 0.000 0.616 293 A CB -0.811 18.136 19.000 -0.089 0.000 0.878 293 A HN 0.375 nan 8.150 nan 0.000 0.453 294 L N 0.460 121.644 121.223 -0.064 0.000 2.129 294 L HA -0.203 4.137 4.340 0.000 0.000 0.212 294 L C 2.322 179.176 176.870 -0.025 0.000 1.087 294 L CA 2.879 57.698 54.840 -0.036 0.000 0.757 294 L CB -0.748 41.299 42.059 -0.020 0.000 0.896 294 L HN 0.578 nan 8.230 nan 0.000 0.434 295 M N -1.836 117.742 119.600 -0.037 0.000 2.460 295 M HA -0.069 4.411 4.480 0.000 0.000 0.263 295 M C 2.069 178.358 176.300 -0.020 0.000 1.071 295 M CA 1.529 56.814 55.300 -0.025 0.000 1.096 295 M CB -0.955 31.626 32.600 -0.031 0.000 1.408 295 M HN 0.148 nan 8.290 nan 0.000 0.463 296 R N 1.515 122.000 120.500 -0.026 0.000 2.055 296 R HA 0.047 4.387 4.340 0.000 0.000 0.226 296 R C -0.748 175.545 176.300 -0.012 0.000 1.135 296 R CA 1.569 57.658 56.100 -0.019 0.000 0.959 296 R CB -1.851 28.434 30.300 -0.024 0.000 0.854 296 R HN 0.338 nan 8.270 nan 0.000 0.431 297 P HA -0.120 nan 4.420 nan 0.000 0.221 297 P C 1.743 179.040 177.300 -0.005 0.000 1.150 297 P CA 0.900 63.995 63.100 -0.009 0.000 0.800 297 P CB -0.135 31.558 31.700 -0.012 0.000 0.787 298 L N -0.076 121.146 121.223 -0.002 0.000 2.131 298 L HA 0.037 4.377 4.340 0.000 0.000 0.206 298 L C 1.875 178.746 176.870 0.001 0.000 1.087 298 L CA 1.382 56.223 54.840 0.002 0.000 0.767 298 L CB -0.416 41.647 42.059 0.006 0.000 0.917 298 L HN -0.229 nan 8.230 nan 0.000 0.441 299 K N -0.731 119.670 120.400 0.002 0.000 2.591 299 K HA 0.002 4.322 4.320 0.000 0.000 0.197 299 K C 1.298 177.902 176.600 0.007 0.000 1.026 299 K CA 0.453 56.744 56.287 0.007 0.000 1.127 299 K CB 0.286 32.790 32.500 0.007 0.000 0.871 299 K HN 0.285 nan 8.250 nan 0.000 0.507 300 S N 0.232 115.933 115.700 0.002 0.000 2.830 300 S HA 0.013 4.483 4.470 0.000 0.000 0.249 300 S C 1.457 176.053 174.600 -0.005 0.000 1.084 300 S CA -0.271 57.928 58.200 -0.000 0.000 0.852 300 S CB 0.070 63.268 63.200 -0.003 0.000 0.802 300 S HN 0.265 nan 8.310 nan 0.000 0.481 301 L N 2.316 123.533 121.223 -0.011 0.000 2.261 301 L HA 0.022 4.362 4.340 0.000 0.000 0.216 301 L C 2.327 179.183 176.870 -0.023 0.000 1.114 301 L CA 2.395 57.221 54.840 -0.025 0.000 0.777 301 L CB -0.992 41.048 42.059 -0.032 0.000 0.910 301 L HN 0.493 nan 8.230 nan 0.000 0.440 302 T N -1.124 113.429 114.554 -0.001 0.000 2.732 302 T HA -0.195 4.155 4.350 0.000 0.000 0.261 302 T C 1.946 176.655 174.700 0.014 0.000 1.040 302 T CA 1.452 63.566 62.100 0.023 0.000 1.145 302 T CB -0.414 68.482 68.868 0.047 0.000 0.866 302 T HN 0.558 nan 8.240 nan 0.000 0.427 303 N N 0.605 119.310 118.700 0.009 0.000 2.205 303 N HA -0.098 4.642 4.740 0.000 0.000 0.186 303 N C 1.930 177.414 175.510 -0.044 0.000 1.015 303 N CA 1.473 54.519 53.050 -0.007 0.000 0.862 303 N CB -0.377 38.113 38.487 0.005 0.000 0.986 303 N HN 0.392 nan 8.380 nan 0.000 0.429 304 V N 1.461 121.355 119.914 -0.033 0.000 2.878 304 V HA -0.050 4.070 4.120 0.000 0.000 0.250 304 V C 2.283 178.357 176.094 -0.033 0.000 1.075 304 V CA 0.995 63.278 62.300 -0.029 0.000 1.096 304 V CB -0.734 31.086 31.823 -0.006 0.000 0.724 304 V HN 0.369 nan 8.190 nan 0.000 0.467 305 N N 1.210 119.878 118.700 -0.052 0.000 2.094 305 N HA -0.225 4.515 4.740 0.000 0.000 0.191 305 N C 1.812 177.254 175.510 -0.114 0.000 1.023 305 N CA 2.040 55.060 53.050 -0.051 0.000 0.857 305 N CB -0.162 38.298 38.487 -0.044 0.000 1.013 305 N HN 0.550 nan 8.380 nan 0.000 0.426 306 A N 1.054 123.660 122.820 -0.356 0.000 1.852 306 A HA -0.282 4.038 4.320 0.000 0.000 0.217 306 A C 2.223 179.591 177.584 -0.360 0.000 1.215 306 A CA 2.384 53.941 52.037 -0.799 0.000 0.641 306 A CB -1.360 17.178 19.000 -0.770 0.000 0.838 306 A HN 0.509 nan 8.150 nan 0.000 0.450 307 Q N -1.301 118.388 119.800 -0.186 0.000 2.173 307 Q HA -0.212 4.128 4.340 0.000 0.000 0.208 307 Q C 1.707 177.692 176.000 -0.025 0.000 0.989 307 Q CA 2.373 58.123 55.803 -0.088 0.000 0.872 307 Q CB -0.630 28.077 28.738 -0.051 0.000 0.909 307 Q HN 0.668 nan 8.270 nan 0.000 0.420 308 F N 0.195 120.081 119.950 -0.106 0.000 2.171 308 F HA -0.202 4.325 4.527 0.000 0.000 0.300 308 F C 1.918 177.705 175.800 -0.022 0.000 1.090 308 F CA 1.559 59.527 58.000 -0.053 0.000 1.293 308 F CB -0.161 38.814 39.000 -0.042 0.000 1.013 308 F HN 0.120 nan 8.300 nan 0.000 0.486 309 Q N 0.482 120.432 119.800 0.250 0.000 1.990 309 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 309 Q C 2.412 178.434 176.000 0.037 0.000 0.980 309 Q CA 1.726 57.653 55.803 0.206 0.000 0.832 309 Q CB -0.916 27.946 28.738 0.205 0.000 0.897 309 Q HN 0.447 nan 8.270 nan 0.000 0.427 310 R N -0.044 120.449 120.500 -0.012 0.000 2.159 310 R HA -0.229 4.111 4.340 0.000 0.000 0.249 310 R C 2.237 178.502 176.300 -0.059 0.000 1.136 310 R CA 2.103 58.193 56.100 -0.017 0.000 0.951 310 R CB -0.731 29.545 30.300 -0.040 0.000 0.876 310 R HN 0.389 nan 8.270 nan 0.000 0.440 311 G N 0.065 108.784 108.800 -0.135 0.000 2.394 311 G HA2 -0.255 3.705 3.960 0.000 0.000 0.214 311 G HA3 -0.255 3.705 3.960 0.000 0.000 0.214 311 G C 1.371 176.123 174.900 -0.246 0.000 1.176 311 G CA 0.598 45.577 45.100 -0.200 0.000 0.786 311 G HN 0.199 nan 8.290 nan 0.000 0.533 312 M N 1.656 121.074 119.600 -0.303 0.000 2.073 312 M HA -0.060 4.420 4.480 0.000 0.000 0.258 312 M C 2.863 179.060 176.300 -0.172 0.000 1.070 312 M CA 1.918 57.065 55.300 -0.255 0.000 1.103 312 M CB -1.113 31.456 32.600 -0.052 0.000 1.321 312 M HN 0.296 nan 8.290 nan 0.000 0.405 313 A N -0.185 122.592 122.820 -0.071 0.000 1.892 313 A HA -0.117 4.203 4.320 0.000 0.000 0.218 313 A C 2.378 179.915 177.584 -0.078 0.000 1.188 313 A CA 2.844 54.855 52.037 -0.044 0.000 0.631 313 A CB -1.320 17.694 19.000 0.023 0.000 0.822 313 A HN 0.628 nan 8.150 nan 0.000 0.447 314 A N -0.791 121.982 122.820 -0.078 0.000 1.892 314 A HA -0.263 4.057 4.320 0.000 0.000 0.218 314 A C 2.484 179.986 177.584 -0.138 0.000 1.188 314 A CA 2.042 54.037 52.037 -0.069 0.000 0.631 314 A CB -1.626 17.339 19.000 -0.059 0.000 0.822 314 A HN 1.126 nan 8.150 nan 0.000 0.447 315 C N -0.837 118.304 119.300 -0.264 0.000 2.388 315 C HA -0.206 4.254 4.460 0.000 0.000 0.277 315 C C 2.685 177.402 174.990 -0.455 0.000 1.210 315 C CA 1.971 60.697 59.018 -0.487 0.000 1.743 315 C CB -1.402 25.862 27.740 -0.793 0.000 2.047 315 C HN 0.641 nan 8.230 nan 0.000 0.458 316 Q N 0.430 120.012 119.800 -0.364 0.000 2.181 316 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 316 Q C 2.268 178.277 176.000 0.015 0.000 0.980 316 Q CA 2.264 58.001 55.803 -0.111 0.000 0.862 316 Q CB -1.273 27.403 28.738 -0.102 0.000 0.905 316 Q HN 0.783 nan 8.270 nan 0.000 0.429 317 T N 2.073 116.619 114.554 -0.013 0.000 2.588 317 T HA -0.136 4.214 4.350 0.000 0.000 0.261 317 T C 1.798 176.536 174.700 0.062 0.000 1.069 317 T CA 1.652 63.767 62.100 0.026 0.000 1.172 317 T CB -0.361 68.520 68.868 0.021 0.000 0.863 317 T HN 0.393 nan 8.240 nan 0.000 0.408 318 L N -0.572 120.688 121.223 0.060 0.000 2.465 318 L HA 0.297 4.637 4.340 0.000 0.000 0.224 318 L C 2.019 178.991 176.870 0.169 0.000 1.145 318 L CA 1.141 56.040 54.840 0.098 0.000 0.834 318 L CB -1.485 40.623 42.059 0.082 0.000 0.944 318 L HN 0.199 nan 8.230 nan 0.000 0.451 319 F N 0.786 120.715 119.950 -0.035 0.000 2.102 319 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 319 F C 2.608 178.368 175.800 -0.067 0.000 1.105 319 F CA 0.726 58.690 58.000 -0.059 0.000 1.239 319 F CB 0.042 39.000 39.000 -0.070 0.000 0.991 319 F HN 0.304 nan 8.300 nan 0.000 0.474 320 A N 0.155 123.073 122.820 0.162 0.000 1.858 320 A HA -0.229 4.091 4.320 0.000 0.000 0.216 320 A C 1.888 179.492 177.584 0.034 0.000 1.190 320 A CA 1.549 53.620 52.037 0.056 0.000 0.617 320 A CB -1.077 17.957 19.000 0.056 0.000 0.827 320 A HN 0.372 nan 8.150 nan 0.000 0.443 321 I N -0.430 120.183 120.570 0.072 0.000 2.315 321 I HA -0.232 3.938 4.170 0.000 0.000 0.251 321 I C 2.218 178.392 176.117 0.096 0.000 1.125 321 I CA 1.148 62.511 61.300 0.106 0.000 1.392 321 I CB -0.097 37.985 38.000 0.138 0.000 1.065 321 I HN 0.439 nan 8.210 nan 0.000 0.424 322 L N -0.692 120.514 121.223 -0.027 0.000 2.209 322 L HA -0.111 4.229 4.340 0.000 0.000 0.207 322 L C 1.902 178.472 176.870 -0.500 0.000 1.094 322 L CA 1.215 55.845 54.840 -0.349 0.000 0.790 322 L CB -0.406 41.534 42.059 -0.198 0.000 0.932 322 L HN 0.205 nan 8.230 nan 0.000 0.447 323 D N -0.279 119.986 120.400 -0.226 0.000 2.378 323 D HA -0.086 4.554 4.640 0.000 0.000 0.227 323 D C 1.150 177.378 176.300 -0.121 0.000 1.012 323 D CA 0.118 54.004 54.000 -0.190 0.000 0.905 323 D CB 0.258 40.974 40.800 -0.140 0.000 0.895 323 D HN 0.242 nan 8.370 nan 0.000 0.532 324 S N 0.149 115.810 115.700 -0.065 0.000 2.611 324 S HA -0.098 4.372 4.470 0.000 0.000 0.252 324 S C 0.046 174.649 174.600 0.004 0.000 1.369 324 S CA -0.260 57.939 58.200 -0.002 0.000 0.975 324 S CB 0.462 63.690 63.200 0.046 0.000 0.937 324 S HN 0.273 nan 8.310 nan 0.000 0.584 325 E N 1.505 121.676 120.200 -0.048 0.000 2.167 325 E HA 0.210 4.560 4.350 0.000 0.000 0.284 325 E C -0.780 175.779 176.600 -0.068 0.000 1.016 325 E CA -0.789 55.582 56.400 -0.048 0.000 0.817 325 E CB 0.489 30.150 29.700 -0.065 0.000 1.080 325 E HN 0.383 nan 8.360 nan 0.000 0.397 326 Q N 3.242 123.039 119.800 -0.005 0.000 2.371 326 Q HA -0.055 4.285 4.340 0.000 0.000 0.254 326 Q C -0.044 175.919 176.000 -0.062 0.000 1.264 326 Q CA 0.538 56.324 55.803 -0.028 0.000 0.904 326 Q CB 0.221 28.969 28.738 0.018 0.000 1.507 326 Q HN 0.704 nan 8.270 nan 0.000 0.495 327 E N 1.521 121.655 120.200 -0.110 0.000 2.501 327 E HA -0.167 4.183 4.350 0.000 0.000 0.203 327 E C -0.028 176.552 176.600 -0.033 0.000 1.072 327 E CA 0.536 56.892 56.400 -0.073 0.000 0.885 327 E CB -0.031 29.617 29.700 -0.086 0.000 0.813 327 E HN 0.396 nan 8.360 nan 0.000 0.556 328 K N 1.412 121.793 120.400 -0.031 0.000 2.333 328 K HA 0.182 4.502 4.320 0.000 0.000 0.241 328 K C -0.963 175.630 176.600 -0.012 0.000 1.193 328 K CA -0.478 55.798 56.287 -0.017 0.000 1.142 328 K CB 0.271 32.762 32.500 -0.015 0.000 1.731 328 K HN -0.207 nan 8.250 nan 0.000 0.344 329 D N 2.175 122.570 120.400 -0.008 0.000 2.449 329 D HA 0.023 4.663 4.640 0.000 0.000 0.236 329 D C -0.004 176.294 176.300 -0.003 0.000 1.149 329 D CA 0.539 54.536 54.000 -0.004 0.000 0.878 329 D CB 0.621 41.422 40.800 0.002 0.000 1.198 329 D HN 0.349 nan 8.370 nan 0.000 0.446 330 E N 0.047 120.246 120.200 -0.002 0.000 2.256 330 E HA 0.544 4.894 4.350 0.000 0.000 0.267 330 E C 0.417 177.017 176.600 -0.001 0.000 0.892 330 E CA -0.814 55.585 56.400 -0.001 0.000 0.775 330 E CB 2.088 31.786 29.700 -0.003 0.000 1.207 330 E HN 0.452 nan 8.360 nan 0.000 0.420 331 G N 0.887 109.689 108.800 0.004 0.000 3.365 331 G HA2 0.315 4.275 3.960 0.000 0.000 0.185 331 G HA3 0.315 4.275 3.960 0.000 0.000 0.185 331 G C 0.355 175.243 174.900 -0.019 0.000 1.565 331 G CA 0.157 45.254 45.100 -0.005 0.000 0.984 331 G HN 0.405 nan 8.290 nan 0.000 0.604 332 K N -1.475 118.902 120.400 -0.038 0.000 3.105 332 K HA 0.153 4.473 4.320 0.000 0.000 0.209 332 K C 0.447 177.007 176.600 -0.067 0.000 1.828 332 K CA -0.438 55.819 56.287 -0.050 0.000 1.382 332 K CB 0.537 32.998 32.500 -0.065 0.000 2.153 332 K HN 0.088 nan 8.250 nan 0.000 0.588 333 R N 2.434 122.844 120.500 -0.150 0.000 2.473 333 R HA 0.086 4.426 4.340 0.000 0.000 0.315 333 R C -0.515 175.776 176.300 -0.016 0.000 0.972 333 R CA 0.028 56.000 56.100 -0.212 0.000 1.047 333 R CB 0.651 30.610 30.300 -0.568 0.000 0.932 333 R HN -0.038 nan 8.270 nan 0.000 0.411 334 V N 6.431 126.368 119.914 0.039 0.000 2.328 334 V HA 0.345 4.465 4.120 0.000 0.000 0.278 334 V C -0.540 175.635 176.094 0.135 0.000 1.021 334 V CA -0.854 61.516 62.300 0.117 0.000 0.838 334 V CB 1.118 32.970 31.823 0.049 0.000 0.999 334 V HN 0.564 nan 8.190 nan 0.000 0.447 335 I N 5.006 125.703 120.570 0.212 0.000 2.607 335 I HA 0.545 4.715 4.170 0.000 0.000 0.305 335 I C 0.609 176.753 176.117 0.046 0.000 0.995 335 I CA 0.156 61.547 61.300 0.151 0.000 1.148 335 I CB 2.258 40.409 38.000 0.251 0.000 1.323 335 I HN 0.794 nan 8.210 nan 0.000 0.461 336 D N 2.715 123.135 120.400 0.034 0.000 2.470 336 D HA 0.087 4.727 4.640 0.000 0.000 0.238 336 D C 0.588 176.890 176.300 0.003 0.000 1.054 336 D CA 0.126 54.133 54.000 0.012 0.000 0.896 336 D CB 0.306 41.116 40.800 0.015 0.000 1.118 336 D HN 0.317 nan 8.370 nan 0.000 0.497 337 R N 0.136 120.644 120.500 0.015 0.000 2.528 337 R HA 0.672 5.012 4.340 0.000 0.000 0.271 337 R C -0.384 175.915 176.300 -0.002 0.000 1.056 337 R CA 0.257 56.363 56.100 0.010 0.000 1.117 337 R CB 1.216 31.530 30.300 0.024 0.000 1.085 337 R HN -0.033 nan 8.270 nan 0.000 0.530 338 A N 1.892 124.706 122.820 -0.010 0.000 2.596 338 A HA 0.145 4.465 4.320 0.000 0.000 0.276 338 A C -0.176 177.398 177.584 -0.017 0.000 0.962 338 A CA 0.212 52.233 52.037 -0.027 0.000 1.010 338 A CB -0.495 18.471 19.000 -0.058 0.000 1.220 338 A HN 0.835 nan 8.150 nan 0.000 0.549 339 T N 1.123 115.676 114.554 -0.002 0.000 2.240 339 T HA -0.014 4.336 4.350 0.000 0.000 0.188 339 T C 0.918 175.613 174.700 -0.009 0.000 1.092 339 T CA 0.988 63.088 62.100 -0.001 0.000 1.595 339 T CB -0.645 68.229 68.868 0.011 0.000 1.014 339 T HN 1.173 nan 8.240 nan 0.000 0.439 340 G N 4.410 113.198 108.800 -0.019 0.000 2.843 340 G HA2 0.178 4.138 3.960 0.000 0.000 0.275 340 G HA3 0.178 4.138 3.960 0.000 0.000 0.275 340 G C 0.135 175.022 174.900 -0.022 0.000 0.709 340 G CA -0.453 44.629 45.100 -0.030 0.000 2.089 340 G HN 0.878 nan 8.290 nan 0.000 0.571 341 D N 1.659 122.053 120.400 -0.011 0.000 2.563 341 D HA 0.146 4.786 4.640 0.000 0.000 0.222 341 D C 0.584 176.882 176.300 -0.004 0.000 1.145 341 D CA -0.513 53.487 54.000 0.000 0.000 1.001 341 D CB 0.098 40.907 40.800 0.014 0.000 1.049 341 D HN 0.291 nan 8.370 nan 0.000 0.515 342 L N 2.254 123.461 121.223 -0.026 0.000 2.367 342 L HA 0.394 4.734 4.340 0.000 0.000 0.275 342 L C -0.736 176.128 176.870 -0.010 0.000 1.129 342 L CA 0.030 54.837 54.840 -0.056 0.000 0.839 342 L CB 0.381 42.374 42.059 -0.110 0.000 1.133 342 L HN 0.260 nan 8.230 nan 0.000 0.453 343 E N 6.730 126.943 120.200 0.021 0.000 2.347 343 E HA 0.416 4.766 4.350 0.000 0.000 0.285 343 E C -1.632 175.138 176.600 0.284 0.000 0.925 343 E CA -0.492 55.992 56.400 0.140 0.000 0.779 343 E CB 1.892 31.654 29.700 0.104 0.000 1.233 343 E HN 0.588 nan 8.360 nan 0.000 0.414 344 F N -0.408 119.564 119.950 0.037 0.000 2.604 344 F HA 0.753 5.280 4.527 0.000 0.000 0.316 344 F C -1.287 174.543 175.800 0.050 0.000 1.136 344 F CA -1.289 56.743 58.000 0.054 0.000 0.989 344 F CB 1.345 40.375 39.000 0.050 0.000 1.258 344 F HN 0.168 nan 8.300 nan 0.000 0.451 345 R N 1.979 122.514 120.500 0.059 0.000 2.664 345 R HA 0.337 4.677 4.340 0.000 0.000 0.286 345 R C -0.235 176.024 176.300 -0.068 0.000 0.967 345 R CA -0.842 55.224 56.100 -0.058 0.000 0.933 345 R CB 0.836 31.131 30.300 -0.007 0.000 1.146 345 R HN 0.892 nan 8.270 nan 0.000 0.468 346 N N -1.352 117.284 118.700 -0.108 0.000 2.685 346 N HA -0.194 4.546 4.740 0.000 0.000 0.251 346 N C -0.990 174.494 175.510 -0.043 0.000 1.020 346 N CA 0.762 53.770 53.050 -0.071 0.000 0.762 346 N CB -1.681 36.790 38.487 -0.026 0.000 0.958 346 N HN 0.268 nan 8.380 nan 0.000 0.539 347 V N -0.267 119.584 119.914 -0.105 0.000 2.470 347 V HA 0.266 4.386 4.120 0.000 0.000 0.276 347 V C 0.965 177.059 176.094 0.001 0.000 1.040 347 V CA -0.015 62.271 62.300 -0.023 0.000 1.008 347 V CB 0.975 32.779 31.823 -0.032 0.000 0.990 347 V HN 0.452 nan 8.190 nan 0.000 0.477 348 T N 5.777 120.366 114.554 0.059 0.000 2.925 348 T HA 0.737 5.087 4.350 0.000 0.000 0.285 348 T C -0.895 173.902 174.700 0.162 0.000 1.021 348 T CA -0.263 61.881 62.100 0.073 0.000 1.042 348 T CB 1.516 70.405 68.868 0.036 0.000 1.037 348 T HN 0.495 nan 8.240 nan 0.000 0.481 349 F N 0.813 120.739 119.950 -0.039 0.000 2.650 349 F HA 0.579 5.106 4.527 0.000 0.000 0.310 349 F C -0.666 175.079 175.800 -0.093 0.000 1.112 349 F CA -0.358 57.596 58.000 -0.077 0.000 0.986 349 F CB 2.050 40.982 39.000 -0.113 0.000 1.285 349 F HN 0.607 nan 8.300 nan 0.000 0.440 350 T N 3.194 117.204 114.554 -0.906 0.000 2.864 350 T HA 0.486 4.836 4.350 0.000 0.000 0.299 350 T C -0.516 173.629 174.700 -0.925 0.000 1.166 350 T CA -0.111 61.676 62.100 -0.521 0.000 1.007 350 T CB 1.017 69.740 68.868 -0.241 0.000 1.219 350 T HN 0.564 nan 8.240 nan 0.000 0.506 351 Y N 1.741 121.879 120.300 -0.269 0.000 2.788 351 Y HA 0.331 4.881 4.550 0.000 0.000 0.224 351 Y C -1.476 174.400 175.900 -0.041 0.000 0.961 351 Y CA -0.124 57.913 58.100 -0.104 0.000 1.023 351 Y CB -0.618 37.864 38.460 0.036 0.000 1.053 351 Y HN 0.416 nan 8.280 nan 0.000 0.465 352 P HA 0.131 nan 4.420 nan 0.000 0.263 352 P C 0.400 177.730 177.300 0.050 0.000 1.601 352 P CA 1.013 64.190 63.100 0.129 0.000 1.161 352 P CB 0.169 31.946 31.700 0.127 0.000 1.730 353 G N 3.857 112.658 108.800 0.002 0.000 3.282 353 G HA2 -0.376 3.584 3.960 0.000 0.000 0.367 353 G HA3 -0.376 3.584 3.960 0.000 0.000 0.367 353 G C 0.670 175.553 174.900 -0.028 0.000 1.377 353 G CA 0.047 45.132 45.100 -0.026 0.000 1.254 353 G HN 0.594 nan 8.290 nan 0.000 0.717 354 R N 2.537 123.033 120.500 -0.006 0.000 2.408 354 R HA 0.472 4.812 4.340 0.000 0.000 0.308 354 R C 0.081 176.383 176.300 0.004 0.000 1.210 354 R CA 0.674 56.772 56.100 -0.004 0.000 1.115 354 R CB -0.166 30.134 30.300 0.001 0.000 1.127 354 R HN 0.745 nan 8.270 nan 0.000 0.523 355 E N 0.557 120.757 120.200 0.001 0.000 1.980 355 E HA 0.213 4.563 4.350 0.000 0.000 0.139 355 E C -1.655 174.950 176.600 0.008 0.000 1.408 355 E CA -0.761 55.645 56.400 0.011 0.000 0.911 355 E CB 1.007 30.723 29.700 0.026 0.000 2.060 355 E HN 0.139 nan 8.360 nan 0.000 0.556 356 V N 2.319 122.245 119.914 0.020 0.000 2.444 356 V HA 0.486 4.606 4.120 0.000 0.000 0.294 356 V C -2.631 173.485 176.094 0.036 0.000 1.022 356 V CA -2.181 60.132 62.300 0.021 0.000 0.850 356 V CB 1.321 33.158 31.823 0.024 0.000 0.992 356 V HN 0.382 nan 8.190 nan 0.000 0.426 357 P HA 0.060 nan 4.420 nan 0.000 0.259 357 P C 0.274 177.627 177.300 0.089 0.000 1.163 357 P CA 0.685 63.808 63.100 0.037 0.000 0.760 357 P CB 0.807 32.521 31.700 0.023 0.000 0.762 358 A N 3.925 126.840 122.820 0.158 0.000 2.275 358 A HA 0.231 4.551 4.320 0.000 0.000 0.212 358 A C 0.420 178.105 177.584 0.167 0.000 1.201 358 A CA 0.560 52.716 52.037 0.198 0.000 0.843 358 A CB -0.157 19.059 19.000 0.360 0.000 0.873 358 A HN 0.501 nan 8.150 nan 0.000 0.492 359 L N 0.108 121.424 121.223 0.156 0.000 2.562 359 L HA 0.376 4.716 4.340 0.000 0.000 0.266 359 L C -0.021 176.900 176.870 0.086 0.000 0.949 359 L CA -0.565 54.344 54.840 0.115 0.000 0.879 359 L CB 2.053 44.189 42.059 0.127 0.000 1.278 359 L HN 0.254 nan 8.230 nan 0.000 0.404 360 R N 0.909 121.435 120.500 0.044 0.000 2.596 360 R HA 0.366 4.706 4.340 0.000 0.000 0.216 360 R C 0.052 176.349 176.300 -0.005 0.000 1.348 360 R CA -1.038 55.075 56.100 0.023 0.000 1.009 360 R CB 0.353 30.662 30.300 0.015 0.000 1.947 360 R HN 0.481 nan 8.270 nan 0.000 0.526 361 N N 2.090 120.780 118.700 -0.015 0.000 2.380 361 N HA -0.034 4.706 4.740 0.000 0.000 0.292 361 N C -0.743 174.721 175.510 -0.077 0.000 1.302 361 N CA 0.794 53.820 53.050 -0.040 0.000 1.007 361 N CB 0.078 38.548 38.487 -0.028 0.000 1.408 361 N HN 0.221 nan 8.380 nan 0.000 0.487 362 I N 2.603 123.089 120.570 -0.140 0.000 2.389 362 I HA 0.251 4.421 4.170 0.000 0.000 0.288 362 I C 0.039 175.919 176.117 -0.395 0.000 0.999 362 I CA -0.575 60.589 61.300 -0.227 0.000 1.129 362 I CB 1.227 39.086 38.000 -0.235 0.000 1.288 362 I HN 0.185 nan 8.210 nan 0.000 0.444 363 N N 7.005 125.537 118.700 -0.280 0.000 2.321 363 N HA 0.726 5.466 4.740 0.000 0.000 0.299 363 N C -1.153 174.256 175.510 -0.170 0.000 1.048 363 N CA -0.593 52.306 53.050 -0.252 0.000 0.836 363 N CB 3.196 41.615 38.487 -0.114 0.000 1.269 363 N HN 0.351 nan 8.380 nan 0.000 0.486 364 L N 0.782 121.963 121.223 -0.071 0.000 2.643 364 L HA 0.384 4.724 4.340 0.000 0.000 0.256 364 L C -1.726 175.317 176.870 0.287 0.000 0.931 364 L CA -0.456 54.476 54.840 0.153 0.000 0.895 364 L CB 1.906 44.137 42.059 0.287 0.000 1.430 364 L HN 0.553 nan 8.230 nan 0.000 0.419 365 K N 4.654 125.156 120.400 0.169 0.000 2.443 365 K HA 0.709 5.029 4.320 0.000 0.000 0.252 365 K C -1.631 175.018 176.600 0.081 0.000 0.933 365 K CA -0.522 55.841 56.287 0.127 0.000 0.792 365 K CB 1.403 33.952 32.500 0.082 0.000 1.185 365 K HN 0.685 nan 8.250 nan 0.000 0.425 366 I N 6.307 126.908 120.570 0.052 0.000 2.555 366 I HA 0.268 4.438 4.170 0.000 0.000 0.275 366 I C -2.347 173.777 176.117 0.010 0.000 1.082 366 I CA -2.359 58.955 61.300 0.023 0.000 1.167 366 I CB 1.498 39.498 38.000 -0.000 0.000 1.312 366 I HN 0.359 nan 8.210 nan 0.000 0.493 367 P HA 0.077 nan 4.420 nan 0.000 0.271 367 P C 0.065 177.367 177.300 0.003 0.000 1.218 367 P CA -0.167 62.939 63.100 0.009 0.000 0.780 367 P CB 0.684 32.391 31.700 0.011 0.000 0.901 368 A N 3.134 125.954 122.820 0.001 0.000 2.609 368 A HA 0.293 4.613 4.320 0.000 0.000 0.232 368 A C 1.750 179.333 177.584 -0.002 0.000 1.041 368 A CA 1.117 53.152 52.037 -0.003 0.000 0.753 368 A CB -1.510 17.490 19.000 -0.001 0.000 0.966 368 A HN 0.890 nan 8.150 nan 0.000 0.510 369 G N 1.570 110.367 108.800 -0.004 0.000 2.435 369 G HA2 -0.306 3.654 3.960 0.000 0.000 0.245 369 G HA3 -0.306 3.654 3.960 0.000 0.000 0.245 369 G C 0.545 175.444 174.900 -0.002 0.000 1.073 369 G CA 0.991 46.089 45.100 -0.003 0.000 0.638 369 G HN 0.946 nan 8.290 nan 0.000 0.521 370 K N 1.065 121.465 120.400 -0.000 0.000 2.258 370 K HA 0.468 4.788 4.320 0.000 0.000 0.264 370 K C -0.333 176.268 176.600 0.002 0.000 1.007 370 K CA 0.606 56.895 56.287 0.002 0.000 0.941 370 K CB 0.538 33.042 32.500 0.005 0.000 0.966 370 K HN 0.152 nan 8.250 nan 0.000 0.480 371 T N 1.687 116.244 114.554 0.004 0.000 2.809 371 T HA 0.279 4.629 4.350 0.000 0.000 0.296 371 T C -0.572 174.134 174.700 0.011 0.000 1.015 371 T CA -0.689 61.414 62.100 0.005 0.000 0.954 371 T CB 0.875 69.745 68.868 0.005 0.000 0.950 371 T HN 0.150 nan 8.240 nan 0.000 0.450 372 V N 2.776 122.698 119.914 0.013 0.000 2.435 372 V HA 0.823 4.943 4.120 0.000 0.000 0.290 372 V C 0.295 176.405 176.094 0.026 0.000 1.030 372 V CA -0.898 61.417 62.300 0.024 0.000 0.881 372 V CB 1.469 33.310 31.823 0.031 0.000 0.983 372 V HN 1.023 nan 8.190 nan 0.000 0.445 373 A N 5.360 128.203 122.820 0.037 0.000 2.320 373 A HA 0.876 5.196 4.320 0.000 0.000 0.334 373 A C -1.015 176.600 177.584 0.051 0.000 1.147 373 A CA -0.623 51.438 52.037 0.041 0.000 0.820 373 A CB 1.128 20.159 19.000 0.052 0.000 1.218 373 A HN 0.645 nan 8.150 nan 0.000 0.482 374 L N 2.739 123.984 121.223 0.037 0.000 2.342 374 L HA 0.520 4.860 4.340 0.000 0.000 0.276 374 L C -0.881 176.003 176.870 0.023 0.000 0.997 374 L CA -0.157 54.705 54.840 0.037 0.000 0.838 374 L CB 0.774 42.846 42.059 0.022 0.000 1.224 374 L HN 0.503 nan 8.230 nan 0.000 0.416 375 V N 1.705 121.654 119.914 0.058 0.000 2.876 375 V HA 1.025 5.145 4.120 0.000 0.000 0.312 375 V C 0.252 176.396 176.094 0.082 0.000 1.085 375 V CA -0.558 61.780 62.300 0.063 0.000 0.945 375 V CB 2.018 33.891 31.823 0.083 0.000 1.017 375 V HN 0.895 nan 8.190 nan 0.000 0.428 376 G N 1.993 110.859 108.800 0.110 0.000 2.342 376 G HA2 0.396 4.356 3.960 0.000 0.000 0.297 376 G HA3 0.396 4.356 3.960 0.000 0.000 0.297 376 G C -1.498 173.496 174.900 0.156 0.000 1.313 376 G CA -1.133 44.030 45.100 0.105 0.000 0.830 376 G HN 0.565 nan 8.290 nan 0.000 0.506 377 R N 0.176 120.736 120.500 0.099 0.000 2.590 377 R HA 0.331 4.671 4.340 0.000 0.000 0.274 377 R C 0.884 177.261 176.300 0.128 0.000 1.061 377 R CA 0.318 56.471 56.100 0.088 0.000 1.081 377 R CB 0.903 31.229 30.300 0.043 0.000 0.984 377 R HN 0.481 nan 8.270 nan 0.000 0.448 378 S N 1.680 117.462 115.700 0.138 0.000 3.106 378 S HA 0.097 4.567 4.470 0.000 0.000 0.304 378 S C 0.870 175.517 174.600 0.079 0.000 1.118 378 S CA 0.806 59.104 58.200 0.163 0.000 1.403 378 S CB -0.655 62.618 63.200 0.122 0.000 1.555 378 S HN 0.840 nan 8.310 nan 0.000 0.584 379 G N 2.053 110.892 108.800 0.066 0.000 3.859 379 G HA2 -0.048 3.912 3.960 0.000 0.000 0.220 379 G HA3 -0.048 3.912 3.960 0.000 0.000 0.220 379 G C 0.073 175.000 174.900 0.045 0.000 0.892 379 G CA 0.092 45.218 45.100 0.042 0.000 0.858 379 G HN 0.796 nan 8.290 nan 0.000 0.625 380 S N 0.357 116.088 115.700 0.052 0.000 2.601 380 S HA 0.496 4.966 4.470 0.000 0.000 0.271 380 S C 1.682 176.312 174.600 0.050 0.000 1.305 380 S CA 0.722 58.953 58.200 0.052 0.000 1.022 380 S CB 1.042 64.275 63.200 0.054 0.000 0.940 380 S HN 1.196 nan 8.310 nan 0.000 0.525 381 G N 3.167 112.004 108.800 0.061 0.000 2.975 381 G HA2 -0.104 3.856 3.960 0.000 0.000 0.201 381 G HA3 -0.104 3.856 3.960 0.000 0.000 0.201 381 G C 1.028 175.954 174.900 0.043 0.000 1.191 381 G CA 0.309 45.448 45.100 0.065 0.000 0.913 381 G HN 0.799 nan 8.290 nan 0.000 0.505 382 K N 0.299 120.715 120.400 0.027 0.000 1.970 382 K HA -0.137 4.183 4.320 0.000 0.000 0.225 382 K C 2.768 179.368 176.600 0.000 0.000 1.045 382 K CA 1.720 58.010 56.287 0.006 0.000 1.002 382 K CB -0.484 31.995 32.500 -0.035 0.000 0.743 382 K HN 0.223 nan 8.250 nan 0.000 0.445 383 S N 0.482 116.173 115.700 -0.015 0.000 2.407 383 S HA -0.193 4.277 4.470 0.000 0.000 0.235 383 S C 1.950 176.555 174.600 0.008 0.000 1.036 383 S CA 1.864 60.058 58.200 -0.010 0.000 1.013 383 S CB -0.516 62.672 63.200 -0.020 0.000 0.820 383 S HN 0.380 nan 8.310 nan 0.000 0.476 384 T N 2.469 117.033 114.554 0.017 0.000 2.614 384 T HA -0.039 4.311 4.350 0.000 0.000 0.263 384 T C 1.767 176.418 174.700 -0.082 0.000 1.055 384 T CA 1.407 63.504 62.100 -0.006 0.000 1.162 384 T CB -0.487 68.404 68.868 0.039 0.000 0.863 384 T HN 0.506 nan 8.240 nan 0.000 0.414 385 I N 1.115 121.664 120.570 -0.035 0.000 2.208 385 I HA -0.190 3.980 4.170 0.000 0.000 0.245 385 I C 2.609 178.717 176.117 -0.016 0.000 1.097 385 I CA 1.567 62.865 61.300 -0.003 0.000 1.363 385 I CB -0.567 37.510 38.000 0.128 0.000 1.051 385 I HN 0.255 nan 8.210 nan 0.000 0.413 386 A N 1.283 124.105 122.820 0.003 0.000 1.881 386 A HA -0.340 3.980 4.320 0.000 0.000 0.219 386 A C 2.465 180.083 177.584 0.056 0.000 1.215 386 A CA 3.157 55.200 52.037 0.011 0.000 0.648 386 A CB -1.384 17.624 19.000 0.014 0.000 0.832 386 A HN 0.711 nan 8.150 nan 0.000 0.455 387 S N -0.904 114.859 115.700 0.104 0.000 2.461 387 S HA 0.098 4.568 4.470 0.000 0.000 0.228 387 S C 1.784 176.580 174.600 0.326 0.000 1.005 387 S CA 0.968 59.352 58.200 0.306 0.000 0.942 387 S CB -0.427 62.907 63.200 0.223 0.000 0.776 387 S HN 0.431 nan 8.310 nan 0.000 0.514 388 L N 0.302 121.566 121.223 0.068 0.000 2.217 388 L HA 0.085 4.425 4.340 0.000 0.000 0.211 388 L C 2.045 178.891 176.870 -0.040 0.000 1.107 388 L CA 0.719 55.536 54.840 -0.039 0.000 0.783 388 L CB -0.295 41.611 42.059 -0.256 0.000 0.919 388 L HN 0.260 nan 8.230 nan 0.000 0.442 389 I N -0.259 120.266 120.570 -0.075 0.000 2.099 389 I HA -0.305 3.865 4.170 0.000 0.000 0.239 389 I C 2.103 178.142 176.117 -0.129 0.000 1.066 389 I CA 1.956 63.166 61.300 -0.151 0.000 1.324 389 I CB -0.556 37.340 38.000 -0.174 0.000 1.037 389 I HN 0.326 nan 8.210 nan 0.000 0.401 390 T N -1.251 113.224 114.554 -0.132 0.000 3.584 390 T HA 0.092 4.442 4.350 0.000 0.000 0.252 390 T C 1.221 175.696 174.700 -0.376 0.000 1.103 390 T CA 0.022 61.952 62.100 -0.284 0.000 0.977 390 T CB -0.619 68.003 68.868 -0.410 0.000 1.044 390 T HN 0.336 nan 8.240 nan 0.000 0.589 391 R N -1.545 118.857 120.500 -0.164 0.000 4.018 391 R HA -0.238 4.102 4.340 0.000 0.000 0.412 391 R C 0.557 176.853 176.300 -0.006 0.000 1.112 391 R CA 1.216 57.268 56.100 -0.081 0.000 1.358 391 R CB -2.336 27.903 30.300 -0.102 0.000 1.925 391 R HN 0.520 nan 8.270 nan 0.000 0.561 392 F N -1.344 118.624 119.950 0.031 0.000 2.269 392 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 392 F C 1.334 176.979 175.800 -0.258 0.000 1.035 392 F CA 1.935 59.908 58.000 -0.046 0.000 1.373 392 F CB -0.279 38.770 39.000 0.081 0.000 1.094 392 F HN 0.246 nan 8.300 nan 0.000 0.535 393 Y N -1.934 118.498 120.300 0.220 0.000 2.830 393 Y HA 0.176 4.726 4.550 -0.000 0.000 0.255 393 Y C 0.276 176.317 175.900 0.235 0.000 1.130 393 Y CA -1.256 56.992 58.100 0.246 0.000 1.217 393 Y CB -0.450 38.178 38.460 0.281 0.000 1.296 393 Y HN -0.111 nan 8.280 nan 0.000 0.571 394 D N 1.406 121.940 120.400 0.224 0.000 2.859 394 D HA -0.285 4.355 4.640 0.000 0.000 0.225 394 D C 0.402 176.820 176.300 0.197 0.000 1.168 394 D CA 1.750 55.842 54.000 0.155 0.000 0.665 394 D CB -0.721 40.135 40.800 0.094 0.000 1.059 394 D HN 0.533 nan 8.370 nan 0.000 0.418 395 I N -2.201 118.565 120.570 0.326 0.000 9.256 395 I HA -0.356 3.814 4.170 0.000 0.000 0.140 395 I C 0.617 176.923 176.117 0.315 0.000 1.871 395 I CA 1.122 62.663 61.300 0.401 0.000 2.039 395 I CB 0.148 38.272 38.000 0.206 0.000 3.985 395 I HN 0.055 nan 8.210 nan 0.000 0.170 396 D N 1.445 121.996 120.400 0.251 0.000 3.161 396 D HA 0.186 4.826 4.640 0.000 0.000 0.287 396 D C -0.218 176.095 176.300 0.022 0.000 1.343 396 D CA 1.152 55.142 54.000 -0.016 0.000 1.070 396 D CB 0.553 41.266 40.800 -0.144 0.000 1.188 396 D HN 0.480 nan 8.370 nan 0.000 0.409 397 E N -0.182 120.054 120.200 0.060 0.000 2.522 397 E HA 0.486 4.836 4.350 0.000 0.000 0.315 397 E C -0.588 176.057 176.600 0.075 0.000 0.917 397 E CA -0.123 56.306 56.400 0.048 0.000 0.796 397 E CB 0.935 30.652 29.700 0.028 0.000 1.323 397 E HN 0.381 nan 8.360 nan 0.000 0.397 398 G N 3.053 111.907 108.800 0.090 0.000 2.334 398 G HA2 0.144 4.104 3.960 0.000 0.000 0.249 398 G HA3 0.144 4.104 3.960 0.000 0.000 0.249 398 G C -1.768 173.251 174.900 0.199 0.000 1.327 398 G CA -0.827 44.380 45.100 0.178 0.000 0.979 398 G HN 0.468 nan 8.290 nan 0.000 0.471 399 H N -0.744 118.373 119.070 0.079 0.000 2.934 399 H HA 0.670 5.226 4.556 0.000 0.000 0.340 399 H C -0.591 174.848 175.328 0.186 0.000 1.008 399 H CA -0.325 55.789 56.048 0.110 0.000 1.317 399 H CB 1.540 31.349 29.762 0.079 0.000 1.670 399 H HN 0.514 nan 8.280 nan 0.000 0.516 400 I N 5.365 126.090 120.570 0.257 0.000 2.411 400 I HA 0.305 4.475 4.170 0.000 0.000 0.284 400 I C -0.820 175.400 176.117 0.171 0.000 1.012 400 I CA -0.692 60.774 61.300 0.276 0.000 1.119 400 I CB 0.998 39.119 38.000 0.202 0.000 1.261 400 I HN 0.323 nan 8.210 nan 0.000 0.448 401 L N 3.854 125.179 121.223 0.168 0.000 2.385 401 L HA 0.699 5.039 4.340 0.000 0.000 0.273 401 L C -0.697 176.239 176.870 0.110 0.000 0.990 401 L CA -0.833 54.097 54.840 0.151 0.000 0.821 401 L CB 2.160 44.313 42.059 0.157 0.000 1.279 401 L HN 0.633 nan 8.230 nan 0.000 0.412 402 M N 4.185 123.872 119.600 0.145 0.000 2.206 402 M HA 0.293 4.773 4.480 0.000 0.000 0.353 402 M C -1.018 175.394 176.300 0.187 0.000 1.242 402 M CA 0.478 55.831 55.300 0.089 0.000 1.179 402 M CB -0.345 32.237 32.600 -0.031 0.000 1.374 402 M HN 0.860 nan 8.290 nan 0.000 0.427 403 D N 3.967 124.430 120.400 0.105 0.000 2.800 403 D HA -0.116 4.524 4.640 0.000 0.000 0.248 403 D C 0.860 177.157 176.300 -0.006 0.000 1.091 403 D CA 1.639 55.692 54.000 0.088 0.000 0.746 403 D CB -1.337 39.559 40.800 0.161 0.000 1.062 403 D HN 1.115 nan 8.370 nan 0.000 0.431 404 G N -0.356 108.416 108.800 -0.047 0.000 2.412 404 G HA2 -0.384 3.576 3.960 0.000 0.000 0.252 404 G HA3 -0.384 3.576 3.960 0.000 0.000 0.252 404 G C 0.222 175.006 174.900 -0.193 0.000 1.038 404 G CA 0.735 45.736 45.100 -0.167 0.000 0.628 404 G HN 0.651 nan 8.290 nan 0.000 0.531 405 H N 1.589 120.720 119.070 0.102 0.000 2.517 405 H HA 0.405 4.961 4.556 0.000 0.000 0.317 405 H C -0.064 175.352 175.328 0.146 0.000 1.080 405 H CA -0.386 55.697 56.048 0.057 0.000 1.301 405 H CB 1.280 30.969 29.762 -0.123 0.000 1.425 405 H HN 0.400 nan 8.280 nan 0.000 0.471 406 D N 2.064 122.595 120.400 0.218 0.000 2.382 406 D HA -0.077 4.563 4.640 0.000 0.000 0.240 406 D C 1.160 177.585 176.300 0.207 0.000 1.146 406 D CA -0.438 53.672 54.000 0.183 0.000 0.897 406 D CB 1.353 42.224 40.800 0.119 0.000 1.197 406 D HN 0.241 nan 8.370 nan 0.000 0.432 407 L N 3.423 124.745 121.223 0.164 0.000 2.051 407 L HA -0.222 4.118 4.340 0.000 0.000 0.214 407 L C 2.581 179.533 176.870 0.137 0.000 1.076 407 L CA 1.711 56.643 54.840 0.153 0.000 0.758 407 L CB -0.836 41.260 42.059 0.061 0.000 0.890 407 L HN 0.426 nan 8.230 nan 0.000 0.433 408 R N -0.183 120.363 120.500 0.075 0.000 2.080 408 R HA -0.148 4.192 4.340 0.000 0.000 0.236 408 R C 2.193 178.510 176.300 0.028 0.000 1.137 408 R CA 1.279 57.404 56.100 0.042 0.000 0.943 408 R CB -0.609 29.699 30.300 0.013 0.000 0.846 408 R HN 0.441 nan 8.270 nan 0.000 0.431 409 E N -0.951 119.252 120.200 0.004 0.000 2.169 409 E HA -0.215 4.135 4.350 0.000 0.000 0.202 409 E C -0.073 176.424 176.600 -0.172 0.000 1.016 409 E CA 1.100 57.439 56.400 -0.101 0.000 0.817 409 E CB -0.196 29.415 29.700 -0.149 0.000 0.736 409 E HN 0.245 nan 8.360 nan 0.000 0.462 410 Y N 0.327 120.614 120.300 -0.023 0.000 2.314 410 Y HA 0.050 4.600 4.550 0.000 0.000 0.334 410 Y C 0.789 176.667 175.900 -0.038 0.000 1.266 410 Y CA -0.011 58.066 58.100 -0.038 0.000 1.391 410 Y CB 1.043 39.487 38.460 -0.026 0.000 1.306 410 Y HN -0.261 nan 8.280 nan 0.000 0.558 411 T N 3.551 118.219 114.554 0.190 0.000 2.794 411 T HA 0.114 4.464 4.350 0.000 0.000 0.296 411 T C 1.267 175.999 174.700 0.053 0.000 0.949 411 T CA -0.426 61.722 62.100 0.080 0.000 1.101 411 T CB 0.135 69.037 68.868 0.055 0.000 0.905 411 T HN 0.767 nan 8.240 nan 0.000 0.516 412 L N 5.786 127.020 121.223 0.017 0.000 1.997 412 L HA -0.122 4.218 4.340 0.000 0.000 0.216 412 L C 2.658 179.505 176.870 -0.039 0.000 1.074 412 L CA 2.383 57.210 54.840 -0.022 0.000 0.763 412 L CB -0.922 41.119 42.059 -0.031 0.000 0.890 412 L HN 0.927 nan 8.230 nan 0.000 0.434 413 A N 0.010 122.816 122.820 -0.023 0.000 1.877 413 A HA -0.405 3.915 4.320 0.000 0.000 0.218 413 A C 2.402 179.963 177.584 -0.039 0.000 1.301 413 A CA 3.545 55.566 52.037 -0.027 0.000 0.699 413 A CB -1.598 17.395 19.000 -0.011 0.000 0.844 413 A HN 0.710 nan 8.150 nan 0.000 0.464 414 S N -0.574 115.110 115.700 -0.027 0.000 2.399 414 S HA -0.126 4.344 4.470 0.000 0.000 0.231 414 S C 1.804 176.344 174.600 -0.100 0.000 1.022 414 S CA 1.443 59.616 58.200 -0.046 0.000 0.983 414 S CB -0.704 62.484 63.200 -0.020 0.000 0.803 414 S HN 0.591 nan 8.310 nan 0.000 0.480 415 L N 2.178 123.332 121.223 -0.115 0.000 1.978 415 L HA -0.072 4.268 4.340 0.000 0.000 0.218 415 L C 2.563 179.332 176.870 -0.168 0.000 1.075 415 L CA 1.894 56.620 54.840 -0.190 0.000 0.767 415 L CB -0.770 41.209 42.059 -0.133 0.000 0.890 415 L HN 0.212 nan 8.230 nan 0.000 0.434 416 R N -0.782 119.632 120.500 -0.143 0.000 2.285 416 R HA -0.126 4.214 4.340 0.000 0.000 0.213 416 R C 1.700 177.939 176.300 -0.103 0.000 1.068 416 R CA 0.985 56.995 56.100 -0.148 0.000 1.004 416 R CB -0.492 29.710 30.300 -0.164 0.000 0.873 416 R HN 0.520 nan 8.270 nan 0.000 0.467 417 N N 0.142 118.789 118.700 -0.088 0.000 2.422 417 N HA -0.088 4.652 4.740 0.000 0.000 0.181 417 N C 0.831 176.302 175.510 -0.065 0.000 1.080 417 N CA 0.419 53.434 53.050 -0.059 0.000 0.893 417 N CB 0.404 38.864 38.487 -0.044 0.000 0.973 417 N HN -0.064 nan 8.380 nan 0.000 0.456 418 Q N 0.014 119.753 119.800 -0.101 0.000 2.228 418 Q HA 0.319 4.659 4.340 0.000 0.000 0.211 418 Q C -1.223 174.720 176.000 -0.094 0.000 0.890 418 Q CA -0.107 55.631 55.803 -0.109 0.000 0.953 418 Q CB 0.396 29.028 28.738 -0.176 0.000 1.053 418 Q HN 0.143 nan 8.270 nan 0.000 0.471 419 V N -1.108 118.762 119.914 -0.073 0.000 3.077 419 V HA 0.845 4.965 4.120 0.000 0.000 0.299 419 V C -1.934 174.142 176.094 -0.030 0.000 1.276 419 V CA -0.725 61.540 62.300 -0.058 0.000 0.993 419 V CB 2.059 33.835 31.823 -0.079 0.000 1.076 419 V HN 0.045 nan 8.190 nan 0.000 0.434 420 A N 4.963 127.774 122.820 -0.015 0.000 2.350 420 A HA 0.992 5.312 4.320 0.000 0.000 0.324 420 A C -1.457 176.133 177.584 0.011 0.000 1.118 420 A CA -0.573 51.467 52.037 0.004 0.000 0.783 420 A CB 1.638 20.644 19.000 0.009 0.000 1.236 420 A HN 1.473 nan 8.150 nan 0.000 0.457 421 L N 1.703 122.941 121.223 0.025 0.000 2.424 421 L HA 0.751 5.091 4.340 0.000 0.000 0.258 421 L C -1.363 175.525 176.870 0.029 0.000 0.995 421 L CA -0.334 54.528 54.840 0.037 0.000 0.821 421 L CB 2.531 44.636 42.059 0.076 0.000 1.383 421 L HN 0.420 nan 8.230 nan 0.000 0.410 422 V N 2.927 122.855 119.914 0.023 0.000 2.383 422 V HA 0.312 4.432 4.120 0.000 0.000 0.264 422 V C -0.124 175.976 176.094 0.010 0.000 1.001 422 V CA -0.416 61.891 62.300 0.013 0.000 0.828 422 V CB 0.981 32.809 31.823 0.008 0.000 1.069 422 V HN 0.867 nan 8.190 nan 0.000 0.451 423 S N 2.505 118.213 115.700 0.013 0.000 2.563 423 S HA 0.061 4.531 4.470 0.000 0.000 0.294 423 S C 1.278 175.873 174.600 -0.008 0.000 1.279 423 S CA -0.366 57.835 58.200 0.002 0.000 1.069 423 S CB 1.005 64.201 63.200 -0.006 0.000 0.828 423 S HN 0.671 nan 8.310 nan 0.000 0.497 424 Q N 2.619 122.408 119.800 -0.017 0.000 2.062 424 Q HA -0.292 4.048 4.340 0.000 0.000 0.216 424 Q C 0.525 176.517 176.000 -0.014 0.000 1.052 424 Q CA 2.418 58.208 55.803 -0.021 0.000 0.910 424 Q CB -1.010 27.711 28.738 -0.028 0.000 1.043 424 Q HN 1.085 nan 8.270 nan 0.000 0.425 425 N N 0.061 118.752 118.700 -0.014 0.000 2.425 425 N HA 0.433 5.173 4.740 0.000 0.000 0.268 425 N C -1.219 174.293 175.510 0.004 0.000 0.991 425 N CA -0.603 52.443 53.050 -0.007 0.000 0.931 425 N CB 1.428 39.907 38.487 -0.013 0.000 1.130 425 N HN -0.007 nan 8.380 nan 0.000 0.493 426 V N 1.731 121.652 119.914 0.011 0.000 2.607 426 V HA 0.217 4.337 4.120 0.000 0.000 0.289 426 V C -0.026 176.110 176.094 0.071 0.000 1.053 426 V CA -0.523 61.791 62.300 0.023 0.000 0.996 426 V CB 0.643 32.464 31.823 -0.003 0.000 0.995 426 V HN 0.823 nan 8.190 nan 0.000 0.476 427 H N 3.931 122.968 119.070 -0.056 0.000 2.457 427 H HA 0.765 5.321 4.556 0.000 0.000 0.335 427 H C -0.918 174.335 175.328 -0.125 0.000 1.115 427 H CA -0.546 55.475 56.048 -0.045 0.000 1.219 427 H CB 1.198 30.957 29.762 -0.004 0.000 1.471 427 H HN 0.568 nan 8.280 nan 0.000 0.491 428 L N 3.914 124.886 121.223 -0.419 0.000 2.250 428 L HA 0.465 4.805 4.340 0.000 0.000 0.252 428 L C -0.341 176.294 176.870 -0.392 0.000 1.054 428 L CA -0.868 53.664 54.840 -0.513 0.000 0.856 428 L CB 1.752 43.672 42.059 -0.232 0.000 1.443 428 L HN 0.545 nan 8.230 nan 0.000 0.427 429 F N -0.629 119.126 119.950 -0.325 0.000 2.561 429 F HA 0.320 4.847 4.527 0.000 0.000 0.384 429 F C 0.241 175.925 175.800 -0.193 0.000 1.131 429 F CA -0.776 57.054 58.000 -0.284 0.000 1.133 429 F CB 1.005 39.797 39.000 -0.348 0.000 1.506 429 F HN 0.366 nan 8.300 nan 0.000 0.499 430 N N 0.148 118.885 118.700 0.062 0.000 2.818 430 N HA 0.214 4.954 4.740 0.000 0.000 0.301 430 N C -1.488 174.003 175.510 -0.031 0.000 1.821 430 N CA 0.005 53.056 53.050 0.002 0.000 0.930 430 N CB 0.075 38.565 38.487 0.005 0.000 1.263 430 N HN 0.442 nan 8.380 nan 0.000 0.487 431 D N -1.458 118.903 120.400 -0.065 0.000 2.574 431 D HA 0.407 5.047 4.640 0.000 0.000 0.210 431 D C -0.058 176.218 176.300 -0.041 0.000 1.277 431 D CA 0.020 53.975 54.000 -0.076 0.000 1.121 431 D CB 0.543 41.230 40.800 -0.189 0.000 1.192 431 D HN 0.267 nan 8.370 nan 0.000 0.602 432 T N -1.591 112.943 114.554 -0.034 0.000 2.940 432 T HA 0.420 4.770 4.350 0.000 0.000 0.288 432 T C 1.264 175.953 174.700 -0.018 0.000 1.033 432 T CA -0.767 61.327 62.100 -0.010 0.000 1.033 432 T CB 1.273 70.147 68.868 0.010 0.000 1.079 432 T HN -0.023 nan 8.240 nan 0.000 0.496 433 V N 1.654 121.565 119.914 -0.006 0.000 2.231 433 V HA -0.246 3.874 4.120 0.000 0.000 0.250 433 V C 3.131 179.221 176.094 -0.007 0.000 1.058 433 V CA 2.664 64.960 62.300 -0.007 0.000 1.022 433 V CB -1.758 30.060 31.823 -0.008 0.000 0.640 433 V HN 1.129 nan 8.190 nan 0.000 0.445 434 A N 0.352 123.174 122.820 0.003 0.000 1.894 434 A HA -0.410 3.910 4.320 0.000 0.000 0.220 434 A C 2.038 179.652 177.584 0.051 0.000 1.237 434 A CA 2.976 55.028 52.037 0.025 0.000 0.660 434 A CB -1.205 17.814 19.000 0.032 0.000 0.835 434 A HN 0.747 nan 8.150 nan 0.000 0.461 435 N N -0.400 118.336 118.700 0.059 0.000 2.058 435 N HA -0.156 4.584 4.740 0.000 0.000 0.191 435 N C 1.594 177.124 175.510 0.034 0.000 1.037 435 N CA 1.116 54.240 53.050 0.124 0.000 0.848 435 N CB -0.266 38.272 38.487 0.084 0.000 1.021 435 N HN 0.486 nan 8.380 nan 0.000 0.422 436 N N 0.871 119.506 118.700 -0.109 0.000 2.334 436 N HA -0.139 4.601 4.740 0.000 0.000 0.187 436 N C 1.492 176.947 175.510 -0.091 0.000 1.016 436 N CA 0.976 53.914 53.050 -0.186 0.000 0.879 436 N CB -0.023 38.355 38.487 -0.181 0.000 0.965 436 N HN 0.390 nan 8.380 nan 0.000 0.438 437 I N -0.036 120.529 120.570 -0.008 0.000 2.628 437 I HA -0.011 4.159 4.170 0.000 0.000 0.255 437 I C 2.307 178.467 176.117 0.073 0.000 1.119 437 I CA 0.293 61.608 61.300 0.024 0.000 1.448 437 I CB -0.191 37.829 38.000 0.033 0.000 1.133 437 I HN -0.062 nan 8.210 nan 0.000 0.438 438 A N 0.371 123.256 122.820 0.108 0.000 1.930 438 A HA -0.195 4.125 4.320 0.000 0.000 0.217 438 A C 1.859 179.506 177.584 0.104 0.000 1.175 438 A CA 1.239 53.337 52.037 0.101 0.000 0.627 438 A CB -0.948 18.125 19.000 0.122 0.000 0.815 438 A HN 0.422 nan 8.150 nan 0.000 0.443 439 Y N 0.047 120.331 120.300 -0.026 0.000 2.749 439 Y HA 0.151 4.701 4.550 0.000 0.000 0.321 439 Y C 1.438 177.322 175.900 -0.026 0.000 1.195 439 Y CA -0.014 58.089 58.100 0.006 0.000 1.338 439 Y CB -0.747 37.774 38.460 0.101 0.000 1.017 439 Y HN 0.296 nan 8.280 nan 0.000 0.517 440 A N 0.959 123.811 122.820 0.053 0.000 3.095 440 A HA 0.546 4.866 4.320 0.000 0.000 0.301 440 A C -0.287 177.252 177.584 -0.075 0.000 1.432 440 A CA -0.635 51.408 52.037 0.011 0.000 1.140 440 A CB -0.167 18.858 19.000 0.042 0.000 1.174 440 A HN 0.236 nan 8.150 nan 0.000 0.546 441 R N 0.360 120.790 120.500 -0.118 0.000 2.022 441 R HA -0.130 4.210 4.340 0.000 0.000 0.372 441 R C 0.505 176.545 176.300 -0.433 0.000 1.161 441 R CA 1.101 57.096 56.100 -0.175 0.000 0.928 441 R CB -2.826 27.442 30.300 -0.053 0.000 2.817 441 R HN 1.303 nan 8.270 nan 0.000 0.489 442 T N -0.594 113.759 114.554 -0.336 0.000 6.560 442 T HA -0.188 4.162 4.350 0.000 0.000 0.282 442 T C 0.445 174.970 174.700 -0.291 0.000 2.166 442 T CA 0.984 62.902 62.100 -0.304 0.000 3.676 442 T CB -0.702 67.963 68.868 -0.338 0.000 0.961 442 T HN 0.636 nan 8.240 nan 0.000 0.735 443 E N -0.072 119.925 120.200 -0.340 0.000 3.673 443 E HA -0.134 4.216 4.350 0.000 0.000 0.309 443 E C -0.083 176.402 176.600 -0.192 0.000 0.819 443 E CA 1.794 58.031 56.400 -0.271 0.000 1.111 443 E CB -0.868 28.607 29.700 -0.376 0.000 1.561 443 E HN 0.735 nan 8.360 nan 0.000 0.450 444 E N -0.633 119.427 120.200 -0.233 0.000 2.640 444 E HA 0.346 4.696 4.350 0.000 0.000 0.360 444 E C -1.426 175.145 176.600 -0.049 0.000 1.014 444 E CA -0.319 56.017 56.400 -0.105 0.000 0.757 444 E CB 0.232 29.893 29.700 -0.065 0.000 1.565 444 E HN 0.047 nan 8.360 nan 0.000 0.381 445 Y N -0.098 120.204 120.300 0.003 0.000 2.782 445 Y HA 0.615 5.165 4.550 0.000 0.000 0.329 445 Y C 0.794 176.695 175.900 0.001 0.000 1.192 445 Y CA -1.457 56.644 58.100 0.000 0.000 1.216 445 Y CB 0.766 39.227 38.460 0.001 0.000 1.447 445 Y HN 0.182 nan 8.280 nan 0.000 0.616 446 S N 0.526 116.337 115.700 0.186 0.000 2.584 446 S HA 0.170 4.640 4.470 0.000 0.000 0.273 446 S C 1.097 175.735 174.600 0.065 0.000 1.311 446 S CA -0.603 57.644 58.200 0.078 0.000 1.034 446 S CB 1.095 64.307 63.200 0.020 0.000 0.939 446 S HN 0.516 nan 8.310 nan 0.000 0.513 447 R N 1.647 122.172 120.500 0.042 0.000 2.200 447 R HA -0.111 4.229 4.340 0.000 0.000 0.234 447 R C 1.448 177.755 176.300 0.011 0.000 1.127 447 R CA 1.547 57.663 56.100 0.028 0.000 0.989 447 R CB -0.346 29.963 30.300 0.015 0.000 0.869 447 R HN 0.604 nan 8.270 nan 0.000 0.459 448 E N -0.114 120.087 120.200 0.002 0.000 2.001 448 E HA -0.162 4.188 4.350 0.000 0.000 0.193 448 E C 1.913 178.500 176.600 -0.022 0.000 0.994 448 E CA 1.511 57.901 56.400 -0.016 0.000 0.815 448 E CB -0.291 29.394 29.700 -0.026 0.000 0.770 448 E HN 0.221 nan 8.360 nan 0.000 0.453 449 Q N 0.225 120.003 119.800 -0.036 0.000 2.142 449 Q HA -0.228 4.112 4.340 0.000 0.000 0.213 449 Q C 2.313 178.307 176.000 -0.009 0.000 1.004 449 Q CA 2.313 58.082 55.803 -0.057 0.000 0.883 449 Q CB -0.724 27.931 28.738 -0.137 0.000 0.939 449 Q HN 0.604 nan 8.270 nan 0.000 0.413 450 I N -2.278 118.310 120.570 0.030 0.000 2.233 450 I HA -0.158 4.012 4.170 0.000 0.000 0.243 450 I C 1.935 178.049 176.117 -0.006 0.000 1.093 450 I CA 1.206 62.525 61.300 0.033 0.000 1.380 450 I CB -0.507 37.525 38.000 0.052 0.000 1.067 450 I HN -0.014 nan 8.210 nan 0.000 0.413 451 E N 1.460 121.651 120.200 -0.015 0.000 2.048 451 E HA -0.309 4.041 4.350 0.000 0.000 0.202 451 E C 2.088 178.662 176.600 -0.042 0.000 1.021 451 E CA 2.022 58.400 56.400 -0.037 0.000 0.825 451 E CB -0.493 29.188 29.700 -0.033 0.000 0.756 451 E HN 0.631 nan 8.360 nan 0.000 0.454 452 E N 0.635 120.814 120.200 -0.034 0.000 2.012 452 E HA -0.211 4.139 4.350 0.000 0.000 0.197 452 E C 2.036 178.620 176.600 -0.026 0.000 1.007 452 E CA 1.400 57.780 56.400 -0.033 0.000 0.816 452 E CB -0.186 29.493 29.700 -0.035 0.000 0.762 452 E HN 0.142 nan 8.360 nan 0.000 0.451 453 A N 1.361 124.171 122.820 -0.017 0.000 1.927 453 A HA -0.196 4.124 4.320 0.000 0.000 0.220 453 A C 2.435 180.017 177.584 -0.003 0.000 1.185 453 A CA 2.729 54.764 52.037 -0.002 0.000 0.639 453 A CB -0.849 18.160 19.000 0.015 0.000 0.820 453 A HN 0.442 nan 8.150 nan 0.000 0.451 454 A N -1.005 121.800 122.820 -0.025 0.000 2.015 454 A HA -0.080 4.240 4.320 0.000 0.000 0.219 454 A C 2.225 179.771 177.584 -0.063 0.000 1.163 454 A CA 1.536 53.542 52.037 -0.052 0.000 0.646 454 A CB -0.391 18.549 19.000 -0.101 0.000 0.806 454 A HN 0.587 nan 8.150 nan 0.000 0.448 455 R N -0.971 119.493 120.500 -0.060 0.000 2.057 455 R HA 0.033 4.373 4.340 0.000 0.000 0.224 455 R C 1.024 177.314 176.300 -0.017 0.000 1.136 455 R CA 1.069 57.129 56.100 -0.068 0.000 0.968 455 R CB -0.204 30.054 30.300 -0.070 0.000 0.863 455 R HN 0.360 nan 8.270 nan 0.000 0.433 456 M N 0.651 120.250 119.600 -0.002 0.000 2.793 456 M HA 0.067 4.547 4.480 0.000 0.000 0.215 456 M C 0.570 176.901 176.300 0.051 0.000 1.087 456 M CA 0.455 55.768 55.300 0.023 0.000 1.033 456 M CB 0.084 32.689 32.600 0.009 0.000 1.760 456 M HN 0.286 nan 8.290 nan 0.000 0.514 457 A N -1.631 121.231 122.820 0.071 0.000 2.630 457 A HA 0.210 4.530 4.320 0.000 0.000 0.287 457 A C 0.036 177.744 177.584 0.208 0.000 1.040 457 A CA -0.579 51.523 52.037 0.108 0.000 0.971 457 A CB -0.065 18.981 19.000 0.077 0.000 1.241 457 A HN 0.390 nan 8.150 nan 0.000 0.558 458 Y N -0.417 119.904 120.300 0.034 0.000 2.951 458 Y HA -0.231 4.319 4.550 0.000 0.000 0.173 458 Y C 0.772 176.741 175.900 0.115 0.000 1.593 458 Y CA 0.723 58.857 58.100 0.057 0.000 0.902 458 Y CB -1.035 37.463 38.460 0.064 0.000 1.452 458 Y HN 0.906 nan 8.280 nan 0.000 0.358 459 A N 3.303 126.151 122.820 0.046 0.000 2.679 459 A HA 0.105 4.425 4.320 0.000 0.000 0.168 459 A C 1.380 178.613 177.584 -0.584 0.000 1.561 459 A CA 0.360 52.351 52.037 -0.076 0.000 1.139 459 A CB -0.224 18.808 19.000 0.054 0.000 1.395 459 A HN 0.395 nan 8.150 nan 0.000 0.483 460 M N 1.498 120.892 119.600 -0.342 0.000 2.446 460 M HA -0.111 4.369 4.480 0.000 0.000 0.263 460 M C 1.463 177.580 176.300 -0.304 0.000 1.066 460 M CA 2.076 57.184 55.300 -0.320 0.000 1.087 460 M CB -1.108 31.372 32.600 -0.200 0.000 1.406 460 M HN 0.726 nan 8.290 nan 0.000 0.459 461 D N -0.100 120.133 120.400 -0.278 0.000 2.103 461 D HA -0.202 4.438 4.640 0.000 0.000 0.199 461 D C 1.712 177.971 176.300 -0.069 0.000 0.978 461 D CA 1.254 55.159 54.000 -0.159 0.000 0.829 461 D CB -0.988 39.719 40.800 -0.154 0.000 0.981 461 D HN 0.509 nan 8.370 nan 0.000 0.464 462 F N 0.315 120.247 119.950 -0.029 0.000 2.416 462 F HA 0.209 4.736 4.527 -0.000 0.000 0.296 462 F C 1.876 177.673 175.800 -0.005 0.000 1.099 462 F CA -0.044 57.954 58.000 -0.002 0.000 1.427 462 F CB -0.293 38.721 39.000 0.024 0.000 1.079 462 F HN -0.180 nan 8.300 nan 0.000 0.536 463 I N 2.236 122.333 120.570 -0.788 0.000 2.163 463 I HA -0.305 3.865 4.170 0.000 0.000 0.243 463 I C 1.886 177.898 176.117 -0.175 0.000 1.085 463 I CA 1.586 62.601 61.300 -0.475 0.000 1.347 463 I CB -1.614 36.085 38.000 -0.502 0.000 1.044 463 I HN 0.396 nan 8.210 nan 0.000 0.408 464 N N 0.496 119.096 118.700 -0.167 0.000 2.396 464 N HA -0.142 4.598 4.740 0.000 0.000 0.180 464 N C 1.665 177.158 175.510 -0.028 0.000 1.028 464 N CA 0.538 53.538 53.050 -0.083 0.000 0.893 464 N CB 0.070 38.506 38.487 -0.085 0.000 0.967 464 N HN 0.435 nan 8.380 nan 0.000 0.440 465 K N 0.979 121.382 120.400 0.006 0.000 2.097 465 K HA -0.032 4.288 4.320 0.000 0.000 0.205 465 K C 0.991 177.619 176.600 0.047 0.000 1.050 465 K CA 0.636 56.948 56.287 0.043 0.000 0.938 465 K CB 0.008 32.562 32.500 0.090 0.000 0.718 465 K HN 0.308 nan 8.250 nan 0.000 0.442 466 M N 2.434 122.071 119.600 0.062 0.000 2.146 466 M HA 0.117 4.597 4.480 0.000 0.000 0.352 466 M C -0.583 175.733 176.300 0.027 0.000 1.343 466 M CA -0.679 54.655 55.300 0.057 0.000 1.115 466 M CB 0.624 33.278 32.600 0.090 0.000 1.657 466 M HN -0.063 nan 8.290 nan 0.000 0.471 467 D N 3.538 123.951 120.400 0.022 0.000 2.506 467 D HA -0.029 4.611 4.640 0.000 0.000 0.234 467 D C -0.211 176.094 176.300 0.009 0.000 1.143 467 D CA 0.380 54.387 54.000 0.012 0.000 0.871 467 D CB 0.338 41.145 40.800 0.011 0.000 1.190 467 D HN 1.131 nan 8.370 nan 0.000 0.459 468 N N 0.264 118.966 118.700 0.003 0.000 2.955 468 N HA -0.183 4.557 4.740 0.000 0.000 0.199 468 N C 1.190 176.697 175.510 -0.005 0.000 0.939 468 N CA 0.530 53.581 53.050 0.001 0.000 1.028 468 N CB -1.417 37.074 38.487 0.007 0.000 1.000 468 N HN 0.828 nan 8.380 nan 0.000 0.577 469 G N 1.233 110.026 108.800 -0.011 0.000 2.652 469 G HA2 -0.375 3.585 3.960 0.000 0.000 0.318 469 G HA3 -0.375 3.585 3.960 0.000 0.000 0.318 469 G C 0.613 175.496 174.900 -0.029 0.000 1.295 469 G CA 0.864 45.946 45.100 -0.031 0.000 0.999 469 G HN 0.166 nan 8.290 nan 0.000 0.548 470 L N 1.343 122.544 121.223 -0.038 0.000 2.450 470 L HA 0.109 4.449 4.340 0.000 0.000 0.224 470 L C 2.009 178.875 176.870 -0.006 0.000 1.149 470 L CA 2.029 56.852 54.840 -0.028 0.000 0.816 470 L CB -0.385 41.658 42.059 -0.026 0.000 0.932 470 L HN 0.421 nan 8.230 nan 0.000 0.449 471 D N -1.557 118.841 120.400 -0.003 0.000 2.339 471 D HA 0.036 4.676 4.640 0.000 0.000 0.217 471 D C 0.573 176.877 176.300 0.008 0.000 1.050 471 D CA 0.247 54.251 54.000 0.006 0.000 0.856 471 D CB 0.093 40.897 40.800 0.006 0.000 0.922 471 D HN 0.211 nan 8.370 nan 0.000 0.518 472 T N 1.001 115.560 114.554 0.007 0.000 2.907 472 T HA 0.209 4.559 4.350 0.000 0.000 0.298 472 T C 0.673 175.381 174.700 0.013 0.000 1.017 472 T CA -0.437 61.670 62.100 0.013 0.000 1.118 472 T CB 1.595 70.476 68.868 0.021 0.000 0.948 472 T HN 0.035 nan 8.240 nan 0.000 0.531 473 I N 3.938 124.516 120.570 0.013 0.000 2.396 473 I HA 0.394 4.564 4.170 0.000 0.000 0.289 473 I C 0.052 176.177 176.117 0.012 0.000 1.056 473 I CA -0.498 60.807 61.300 0.009 0.000 1.365 473 I CB 0.124 38.129 38.000 0.008 0.000 1.407 473 I HN 0.616 nan 8.210 nan 0.000 0.509 474 I N 6.868 127.442 120.570 0.007 0.000 2.834 474 I HA 0.472 4.642 4.170 0.000 0.000 0.305 474 I C 0.747 176.870 176.117 0.009 0.000 1.008 474 I CA -0.334 60.972 61.300 0.011 0.000 1.273 474 I CB 1.131 39.132 38.000 0.001 0.000 1.432 474 I HN 0.660 nan 8.210 nan 0.000 0.557 475 G N 3.575 112.383 108.800 0.012 0.000 2.378 475 G HA2 0.077 4.037 3.960 0.000 0.000 0.255 475 G HA3 0.077 4.037 3.960 0.000 0.000 0.255 475 G C -0.202 174.710 174.900 0.019 0.000 1.270 475 G CA -0.407 44.702 45.100 0.015 0.000 0.876 475 G HN 0.814 nan 8.290 nan 0.000 0.521 476 E N 2.109 122.324 120.200 0.026 0.000 3.111 476 E HA -0.190 4.160 4.350 0.000 0.000 0.230 476 E C 0.492 177.128 176.600 0.061 0.000 1.035 476 E CA 0.440 56.865 56.400 0.042 0.000 0.944 476 E CB -0.216 29.509 29.700 0.043 0.000 0.919 476 E HN 0.636 nan 8.360 nan 0.000 0.554 477 N N 3.529 122.264 118.700 0.058 0.000 2.725 477 N HA -0.162 4.578 4.740 0.000 0.000 0.256 477 N C 0.049 175.583 175.510 0.039 0.000 1.087 477 N CA 1.307 54.399 53.050 0.070 0.000 0.690 477 N CB -1.421 37.185 38.487 0.199 0.000 0.891 477 N HN 0.853 nan 8.380 nan 0.000 0.553 478 G N -0.237 108.565 108.800 0.003 0.000 2.424 478 G HA2 -0.267 3.693 3.960 0.000 0.000 0.294 478 G HA3 -0.267 3.693 3.960 0.000 0.000 0.294 478 G C 1.113 176.018 174.900 0.009 0.000 0.939 478 G CA 0.404 45.504 45.100 0.001 0.000 1.143 478 G HN 0.705 nan 8.290 nan 0.000 0.507 479 V N 0.077 120.000 119.914 0.015 0.000 2.500 479 V HA -0.010 4.110 4.120 0.000 0.000 0.243 479 V C 1.998 178.097 176.094 0.008 0.000 1.039 479 V CA 1.789 64.098 62.300 0.015 0.000 1.053 479 V CB -0.126 31.710 31.823 0.022 0.000 0.695 479 V HN 0.647 nan 8.190 nan 0.000 0.463 480 L N 1.662 122.890 121.223 0.009 0.000 2.998 480 L HA 0.632 4.972 4.340 0.000 0.000 0.234 480 L C -0.280 176.592 176.870 0.003 0.000 1.350 480 L CA 0.304 55.148 54.840 0.008 0.000 1.202 480 L CB -1.019 41.048 42.059 0.013 0.000 1.583 480 L HN 0.290 nan 8.230 nan 0.000 0.456 481 L N -4.262 116.954 121.223 -0.012 0.000 2.921 481 L HA 0.521 4.861 4.340 0.000 0.000 0.261 481 L C -0.269 176.562 176.870 -0.065 0.000 0.984 481 L CA -0.803 54.015 54.840 -0.037 0.000 0.951 481 L CB 1.211 43.258 42.059 -0.019 0.000 1.495 481 L HN -0.079 nan 8.230 nan 0.000 0.414 482 S N 0.520 116.152 115.700 -0.113 0.000 2.561 482 S HA 0.210 4.680 4.470 0.000 0.000 0.294 482 S C 1.390 175.926 174.600 -0.107 0.000 1.294 482 S CA 0.760 58.888 58.200 -0.120 0.000 1.055 482 S CB 0.898 63.995 63.200 -0.171 0.000 0.819 482 S HN 1.103 nan 8.310 nan 0.000 0.503 483 G N 3.851 112.607 108.800 -0.074 0.000 2.422 483 G HA2 -0.058 3.902 3.960 0.000 0.000 0.218 483 G HA3 -0.058 3.902 3.960 0.000 0.000 0.218 483 G C 1.404 176.266 174.900 -0.063 0.000 1.146 483 G CA 0.733 45.802 45.100 -0.053 0.000 0.769 483 G HN 0.966 nan 8.290 nan 0.000 0.547 484 G N 0.437 109.185 108.800 -0.086 0.000 2.480 484 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 484 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 484 G C 1.767 176.603 174.900 -0.108 0.000 1.200 484 G CA 1.159 46.208 45.100 -0.086 0.000 0.782 484 G HN 0.504 nan 8.290 nan 0.000 0.554 485 Q N -0.049 119.607 119.800 -0.241 0.000 2.077 485 Q HA -0.155 4.185 4.340 0.000 0.000 0.206 485 Q C 2.814 178.785 176.000 -0.048 0.000 0.989 485 Q CA 1.468 57.033 55.803 -0.396 0.000 0.853 485 Q CB -0.224 28.053 28.738 -0.768 0.000 0.907 485 Q HN 0.420 nan 8.270 nan 0.000 0.418 486 R N 0.553 121.023 120.500 -0.049 0.000 2.088 486 R HA -0.213 4.127 4.340 0.000 0.000 0.232 486 R C 2.421 178.731 176.300 0.017 0.000 1.136 486 R CA 1.807 57.909 56.100 0.002 0.000 0.926 486 R CB -0.417 29.872 30.300 -0.018 0.000 0.837 486 R HN 0.326 nan 8.270 nan 0.000 0.429 487 Q N 0.649 120.449 119.800 0.000 0.000 2.096 487 Q HA -0.253 4.087 4.340 0.000 0.000 0.208 487 Q C 2.128 178.148 176.000 0.034 0.000 0.993 487 Q CA 1.898 57.705 55.803 0.007 0.000 0.862 487 Q CB 0.012 28.748 28.738 -0.003 0.000 0.915 487 Q HN 0.294 nan 8.270 nan 0.000 0.416 488 R N -0.204 120.335 120.500 0.065 0.000 2.083 488 R HA -0.154 4.186 4.340 0.000 0.000 0.237 488 R C 2.359 178.728 176.300 0.115 0.000 1.137 488 R CA 1.703 57.873 56.100 0.117 0.000 0.951 488 R CB -0.462 29.971 30.300 0.222 0.000 0.851 488 R HN 0.376 nan 8.270 nan 0.000 0.434 489 I N 0.723 121.371 120.570 0.130 0.000 2.286 489 I HA -0.263 3.907 4.170 0.000 0.000 0.248 489 I C 2.606 178.739 176.117 0.027 0.000 1.115 489 I CA 1.246 62.599 61.300 0.089 0.000 1.392 489 I CB -0.399 37.658 38.000 0.095 0.000 1.065 489 I HN 0.212 nan 8.210 nan 0.000 0.418 490 A N 0.679 123.505 122.820 0.010 0.000 1.969 490 A HA -0.133 4.187 4.320 0.000 0.000 0.218 490 A C 2.287 179.872 177.584 0.001 0.000 1.169 490 A CA 1.355 53.381 52.037 -0.018 0.000 0.635 490 A CB -0.656 18.331 19.000 -0.021 0.000 0.810 490 A HN 0.390 nan 8.150 nan 0.000 0.445 491 I N -0.672 119.911 120.570 0.022 0.000 2.353 491 I HA -0.186 3.984 4.170 0.000 0.000 0.248 491 I C 2.899 179.035 176.117 0.031 0.000 1.119 491 I CA 0.677 61.993 61.300 0.027 0.000 1.417 491 I CB -0.311 37.712 38.000 0.038 0.000 1.078 491 I HN 0.372 nan 8.210 nan 0.000 0.421 492 A N 1.364 124.207 122.820 0.038 0.000 1.836 492 A HA -0.306 4.014 4.320 0.000 0.000 0.215 492 A C 2.393 179.995 177.584 0.030 0.000 1.214 492 A CA 2.235 54.293 52.037 0.035 0.000 0.636 492 A CB -1.038 17.981 19.000 0.032 0.000 0.847 492 A HN 0.387 nan 8.150 nan 0.000 0.451 493 R N -0.139 120.373 120.500 0.021 0.000 2.227 493 R HA -0.305 4.035 4.340 0.000 0.000 0.246 493 R C 2.157 178.477 176.300 0.034 0.000 1.119 493 R CA 2.800 58.913 56.100 0.022 0.000 0.930 493 R CB -1.013 29.276 30.300 -0.019 0.000 0.912 493 R HN 0.515 nan 8.270 nan 0.000 0.435 494 A N 0.540 123.373 122.820 0.020 0.000 2.024 494 A HA -0.150 4.170 4.320 0.000 0.000 0.220 494 A C 2.150 179.751 177.584 0.029 0.000 1.164 494 A CA 1.430 53.481 52.037 0.023 0.000 0.643 494 A CB -0.423 18.587 19.000 0.016 0.000 0.806 494 A HN 0.425 nan 8.150 nan 0.000 0.451 495 L N -1.051 120.190 121.223 0.030 0.000 2.095 495 L HA 0.010 4.350 4.340 0.000 0.000 0.204 495 L C 2.244 179.131 176.870 0.028 0.000 1.080 495 L CA 1.550 56.405 54.840 0.025 0.000 0.759 495 L CB -0.556 41.517 42.059 0.023 0.000 0.914 495 L HN 0.438 nan 8.230 nan 0.000 0.439 496 L N -0.319 120.932 121.223 0.048 0.000 2.017 496 L HA -0.201 4.139 4.340 0.000 0.000 0.208 496 L C 2.568 179.499 176.870 0.102 0.000 1.073 496 L CA 1.713 56.593 54.840 0.065 0.000 0.745 496 L CB -0.745 41.389 42.059 0.124 0.000 0.894 496 L HN 0.159 nan 8.230 nan 0.000 0.432 497 R N 0.286 120.876 120.500 0.149 0.000 2.140 497 R HA -0.225 4.115 4.340 0.000 0.000 0.250 497 R C 0.309 176.665 176.300 0.094 0.000 1.150 497 R CA 1.266 57.471 56.100 0.174 0.000 0.966 497 R CB -0.744 29.616 30.300 0.101 0.000 0.869 497 R HN 0.610 nan 8.270 nan 0.000 0.445 498 D N -0.010 120.415 120.400 0.041 0.000 3.357 498 D HA -0.147 4.493 4.640 0.000 0.000 0.238 498 D C -1.038 175.266 176.300 0.005 0.000 1.126 498 D CA 0.784 54.789 54.000 0.007 0.000 0.984 498 D CB -0.567 40.220 40.800 -0.023 0.000 0.925 498 D HN 0.228 nan 8.370 nan 0.000 0.414 499 S N 2.292 117.993 115.700 0.001 0.000 2.722 499 S HA 0.723 5.193 4.470 0.000 0.000 0.292 499 S C -1.664 172.924 174.600 -0.019 0.000 1.135 499 S CA -1.003 57.191 58.200 -0.010 0.000 1.003 499 S CB 1.825 65.016 63.200 -0.016 0.000 1.067 499 S HN 0.126 nan 8.310 nan 0.000 0.546 500 P HA 0.268 nan 4.420 nan 0.000 0.222 500 P C -0.516 176.763 177.300 -0.034 0.000 1.153 500 P CA 0.830 63.913 63.100 -0.030 0.000 0.798 500 P CB 0.110 31.789 31.700 -0.036 0.000 0.796 501 I N 0.092 120.636 120.570 -0.044 0.000 2.382 501 I HA 0.241 4.411 4.170 0.000 0.000 0.285 501 I C -0.811 175.283 176.117 -0.039 0.000 1.007 501 I CA -1.029 60.242 61.300 -0.049 0.000 1.142 501 I CB 1.718 39.675 38.000 -0.072 0.000 1.289 501 I HN -0.234 nan 8.210 nan 0.000 0.453 502 L N 8.989 130.195 121.223 -0.028 0.000 2.319 502 L HA 0.620 4.960 4.340 0.000 0.000 0.281 502 L C -0.929 175.932 176.870 -0.015 0.000 1.005 502 L CA -0.137 54.692 54.840 -0.017 0.000 0.828 502 L CB 1.073 43.127 42.059 -0.009 0.000 1.227 502 L HN 0.390 nan 8.230 nan 0.000 0.415 503 I N 6.337 126.901 120.570 -0.010 0.000 2.339 503 I HA 0.329 4.499 4.170 0.000 0.000 0.290 503 I C -0.628 175.491 176.117 0.003 0.000 0.994 503 I CA -0.416 60.880 61.300 -0.006 0.000 1.191 503 I CB 1.409 39.407 38.000 -0.003 0.000 1.343 503 I HN 0.467 nan 8.210 nan 0.000 0.458 504 L N 5.758 126.980 121.223 -0.001 0.000 2.371 504 L HA 0.290 4.630 4.340 0.000 0.000 0.262 504 L C -0.258 176.607 176.870 -0.009 0.000 1.054 504 L CA -0.433 54.406 54.840 -0.001 0.000 0.924 504 L CB 0.649 42.708 42.059 -0.001 0.000 1.295 504 L HN 0.523 nan 8.230 nan 0.000 0.441 505 D N 4.522 124.918 120.400 -0.008 0.000 2.455 505 D HA -0.015 4.625 4.640 0.000 0.000 0.234 505 D C 0.805 177.085 176.300 -0.033 0.000 1.224 505 D CA 0.392 54.378 54.000 -0.022 0.000 0.999 505 D CB 0.160 40.951 40.800 -0.016 0.000 1.072 505 D HN 0.550 nan 8.370 nan 0.000 0.514 506 E N 1.857 122.030 120.200 -0.045 0.000 2.389 506 E HA -0.319 4.031 4.350 0.000 0.000 0.243 506 E C 0.522 177.110 176.600 -0.021 0.000 1.154 506 E CA 0.471 56.843 56.400 -0.045 0.000 0.723 506 E CB -0.971 28.688 29.700 -0.069 0.000 1.261 506 E HN 0.538 nan 8.360 nan 0.000 0.390 507 A N -0.436 122.376 122.820 -0.013 0.000 2.186 507 A HA -0.165 4.155 4.320 0.000 0.000 0.219 507 A C 1.966 179.548 177.584 -0.004 0.000 1.159 507 A CA 1.751 53.785 52.037 -0.005 0.000 0.680 507 A CB -0.166 18.834 19.000 -0.000 0.000 0.787 507 A HN 0.433 nan 8.150 nan 0.000 0.467 508 T N -1.118 113.433 114.554 -0.005 0.000 3.044 508 T HA 0.033 4.383 4.350 0.000 0.000 0.255 508 T C 1.795 176.491 174.700 -0.007 0.000 1.073 508 T CA 0.759 62.855 62.100 -0.007 0.000 1.125 508 T CB -0.105 68.760 68.868 -0.005 0.000 0.908 508 T HN 0.495 nan 8.240 nan 0.000 0.480 509 S N 1.593 117.293 115.700 -0.001 0.000 2.600 509 S HA -0.324 4.146 4.470 0.000 0.000 0.462 509 S C 1.089 175.688 174.600 -0.002 0.000 1.124 509 S CA 1.834 60.036 58.200 0.003 0.000 2.567 509 S CB -0.927 62.271 63.200 -0.002 0.000 1.938 509 S HN 0.861 nan 8.310 nan 0.000 0.503 510 A N 1.039 123.851 122.820 -0.013 0.000 2.802 510 A HA 0.701 5.021 4.320 0.000 0.000 0.344 510 A C -0.649 176.915 177.584 -0.033 0.000 1.215 510 A CA -0.359 51.665 52.037 -0.021 0.000 0.821 510 A CB 0.287 19.272 19.000 -0.024 0.000 1.099 510 A HN 0.362 nan 8.150 nan 0.000 0.479 511 L N 0.642 121.844 121.223 -0.035 0.000 2.422 511 L HA 0.359 4.699 4.340 0.000 0.000 0.264 511 L C -0.649 176.185 176.870 -0.060 0.000 0.984 511 L CA -1.058 53.750 54.840 -0.053 0.000 0.819 511 L CB 2.346 44.371 42.059 -0.057 0.000 1.330 511 L HN 0.618 nan 8.230 nan 0.000 0.410 512 D N 0.970 121.322 120.400 -0.079 0.000 2.426 512 D HA -0.076 4.564 4.640 0.000 0.000 0.261 512 D C 1.335 177.581 176.300 -0.090 0.000 1.245 512 D CA 0.621 54.574 54.000 -0.079 0.000 0.917 512 D CB 1.122 41.866 40.800 -0.095 0.000 1.123 512 D HN 0.596 nan 8.370 nan 0.000 0.508 513 T N 2.724 117.243 114.554 -0.059 0.000 2.624 513 T HA -0.351 3.999 4.350 0.000 0.000 0.266 513 T C 1.545 176.202 174.700 -0.072 0.000 1.050 513 T CA 2.219 64.289 62.100 -0.051 0.000 1.163 513 T CB -0.269 68.582 68.868 -0.028 0.000 0.861 513 T HN 0.666 nan 8.240 nan 0.000 0.443 514 E N -0.442 119.711 120.200 -0.078 0.000 2.038 514 E HA -0.126 4.224 4.350 0.000 0.000 0.195 514 E C 2.458 178.948 176.600 -0.185 0.000 1.000 514 E CA 1.595 57.942 56.400 -0.090 0.000 0.803 514 E CB -0.318 29.346 29.700 -0.060 0.000 0.750 514 E HN 0.575 nan 8.360 nan 0.000 0.448 515 S N 0.882 116.404 115.700 -0.297 0.000 2.370 515 S HA -0.242 4.228 4.470 0.000 0.000 0.226 515 S C 1.792 176.169 174.600 -0.371 0.000 1.033 515 S CA 1.528 59.367 58.200 -0.602 0.000 1.011 515 S CB -0.396 62.474 63.200 -0.550 0.000 0.852 515 S HN 0.429 nan 8.310 nan 0.000 0.457 516 E N 1.715 121.795 120.200 -0.199 0.000 2.013 516 E HA -0.271 4.079 4.350 0.000 0.000 0.202 516 E C 2.260 178.807 176.600 -0.088 0.000 1.018 516 E CA 1.304 57.636 56.400 -0.112 0.000 0.834 516 E CB -0.269 29.390 29.700 -0.069 0.000 0.770 516 E HN 0.332 nan 8.360 nan 0.000 0.459 517 R N -0.032 120.424 120.500 -0.072 0.000 2.154 517 R HA -0.213 4.127 4.340 0.000 0.000 0.248 517 R C 2.264 178.543 176.300 -0.034 0.000 1.155 517 R CA 1.350 57.425 56.100 -0.042 0.000 0.979 517 R CB -0.360 29.922 30.300 -0.030 0.000 0.869 517 R HN 0.355 nan 8.270 nan 0.000 0.452 518 A N 0.813 123.591 122.820 -0.070 0.000 1.877 518 A HA -0.166 4.154 4.320 0.000 0.000 0.216 518 A C 2.092 179.697 177.584 0.035 0.000 1.186 518 A CA 1.492 53.525 52.037 -0.006 0.000 0.620 518 A CB -0.470 18.495 19.000 -0.058 0.000 0.822 518 A HN 0.325 nan 8.150 nan 0.000 0.443 519 I N -0.864 119.706 120.570 -0.001 0.000 2.142 519 I HA -0.312 3.858 4.170 0.000 0.000 0.240 519 I C 2.749 178.880 176.117 0.023 0.000 1.078 519 I CA 1.828 63.149 61.300 0.035 0.000 1.343 519 I CB -0.427 37.584 38.000 0.018 0.000 1.046 519 I HN 0.420 nan 8.210 nan 0.000 0.405 520 Q N 1.395 121.197 119.800 0.003 0.000 2.082 520 Q HA -0.293 4.047 4.340 0.000 0.000 0.211 520 Q C 2.134 178.140 176.000 0.010 0.000 1.002 520 Q CA 2.874 58.678 55.803 0.003 0.000 0.868 520 Q CB -0.524 28.210 28.738 -0.006 0.000 0.931 520 Q HN 0.529 nan 8.270 nan 0.000 0.414 521 A N 0.199 123.028 122.820 0.015 0.000 1.865 521 A HA -0.103 4.217 4.320 0.000 0.000 0.217 521 A C 2.348 179.946 177.584 0.024 0.000 1.191 521 A CA 2.512 54.560 52.037 0.020 0.000 0.623 521 A CB -1.474 17.543 19.000 0.028 0.000 0.826 521 A HN 0.618 nan 8.150 nan 0.000 0.444 522 A N -0.207 122.634 122.820 0.035 0.000 1.873 522 A HA -0.145 4.175 4.320 0.000 0.000 0.218 522 A C 2.211 179.808 177.584 0.023 0.000 1.193 522 A CA 1.722 53.780 52.037 0.035 0.000 0.629 522 A CB -0.803 18.229 19.000 0.053 0.000 0.826 522 A HN 0.503 nan 8.150 nan 0.000 0.447 523 L N -0.537 120.698 121.223 0.021 0.000 1.956 523 L HA -0.290 4.050 4.340 0.000 0.000 0.216 523 L C 2.401 179.276 176.870 0.009 0.000 1.073 523 L CA 1.902 56.750 54.840 0.013 0.000 0.762 523 L CB -1.020 41.045 42.059 0.010 0.000 0.889 523 L HN 0.357 nan 8.230 nan 0.000 0.433 524 D N -0.365 120.040 120.400 0.008 0.000 2.157 524 D HA -0.255 4.385 4.640 0.000 0.000 0.191 524 D C 2.104 178.407 176.300 0.005 0.000 1.004 524 D CA 1.370 55.373 54.000 0.005 0.000 0.854 524 D CB -0.289 40.514 40.800 0.005 0.000 0.936 524 D HN 0.298 nan 8.370 nan 0.000 0.446 525 E N 0.535 120.739 120.200 0.007 0.000 2.085 525 E HA -0.152 4.198 4.350 0.000 0.000 0.194 525 E C 2.261 178.862 176.600 0.002 0.000 0.994 525 E CA 0.597 57.000 56.400 0.005 0.000 0.801 525 E CB -0.340 29.365 29.700 0.008 0.000 0.743 525 E HN 0.339 nan 8.360 nan 0.000 0.453 526 L N 0.589 121.813 121.223 0.002 0.000 2.062 526 L HA -0.133 4.207 4.340 0.000 0.000 0.202 526 L C 2.761 179.630 176.870 -0.003 0.000 1.079 526 L CA 1.347 56.185 54.840 -0.002 0.000 0.755 526 L CB -0.446 41.612 42.059 -0.001 0.000 0.913 526 L HN 0.107 nan 8.230 nan 0.000 0.445 527 Q N -0.318 119.481 119.800 -0.001 0.000 2.458 527 Q HA -0.301 4.039 4.340 0.000 0.000 0.215 527 Q C 1.696 177.694 176.000 -0.002 0.000 0.989 527 Q CA 1.562 57.363 55.803 -0.002 0.000 0.895 527 Q CB -0.395 28.343 28.738 -0.001 0.000 0.934 527 Q HN 0.237 nan 8.270 nan 0.000 0.475 528 K N 0.957 121.357 120.400 -0.002 0.000 2.218 528 K HA -0.137 4.183 4.320 0.000 0.000 0.205 528 K C 1.138 177.736 176.600 -0.003 0.000 1.046 528 K CA 1.816 58.102 56.287 -0.001 0.000 0.933 528 K CB 0.116 32.615 32.500 -0.001 0.000 0.728 528 K HN 0.474 nan 8.250 nan 0.000 0.454 529 N N -0.615 118.083 118.700 -0.004 0.000 2.511 529 N HA 0.026 4.766 4.740 0.000 0.000 0.190 529 N C 0.377 175.884 175.510 -0.006 0.000 1.037 529 N CA 0.298 53.345 53.050 -0.005 0.000 0.895 529 N CB -0.112 38.371 38.487 -0.007 0.000 1.149 529 N HN -0.075 nan 8.380 nan 0.000 0.437 530 R N 0.983 121.478 120.500 -0.008 0.000 2.840 530 R HA 0.231 4.571 4.340 0.000 0.000 0.282 530 R C 0.068 176.362 176.300 -0.010 0.000 1.133 530 R CA 0.341 56.434 56.100 -0.010 0.000 1.208 530 R CB -0.250 30.043 30.300 -0.012 0.000 1.160 530 R HN -0.012 nan 8.270 nan 0.000 0.576 531 T N 0.786 115.332 114.554 -0.015 0.000 2.743 531 T HA 0.373 4.723 4.350 0.000 0.000 0.293 531 T C -0.485 174.204 174.700 -0.017 0.000 0.945 531 T CA -0.296 61.794 62.100 -0.016 0.000 1.030 531 T CB 0.667 69.521 68.868 -0.023 0.000 0.912 531 T HN 0.334 nan 8.240 nan 0.000 0.483 532 S N 3.656 119.349 115.700 -0.012 0.000 2.519 532 S HA 0.510 4.980 4.470 0.000 0.000 0.309 532 S C -0.966 173.628 174.600 -0.010 0.000 1.100 532 S CA -0.791 57.402 58.200 -0.011 0.000 1.059 532 S CB 1.114 64.310 63.200 -0.006 0.000 1.008 532 S HN 0.555 nan 8.310 nan 0.000 0.478 533 L N 5.211 126.426 121.223 -0.014 0.000 2.337 533 L HA 0.603 4.943 4.340 0.000 0.000 0.269 533 L C -0.925 175.941 176.870 -0.007 0.000 1.018 533 L CA -0.434 54.399 54.840 -0.012 0.000 0.876 533 L CB 0.794 42.837 42.059 -0.027 0.000 1.236 533 L HN 0.533 nan 8.230 nan 0.000 0.436 534 V N 7.392 127.305 119.914 -0.001 0.000 2.427 534 V HA 0.490 4.610 4.120 0.000 0.000 0.286 534 V C -0.362 175.730 176.094 -0.003 0.000 1.034 534 V CA -0.563 61.736 62.300 -0.002 0.000 0.893 534 V CB 1.950 33.774 31.823 0.001 0.000 0.982 534 V HN 0.620 nan 8.190 nan 0.000 0.452 535 I N 7.565 128.126 120.570 -0.016 0.000 2.563 535 I HA 0.742 4.912 4.170 0.000 0.000 0.276 535 I C -0.256 175.821 176.117 -0.067 0.000 1.074 535 I CA -0.023 61.257 61.300 -0.034 0.000 1.124 535 I CB 0.757 38.736 38.000 -0.036 0.000 1.225 535 I HN 0.773 nan 8.210 nan 0.000 0.482 536 A N 5.983 128.768 122.820 -0.058 0.000 2.414 536 A HA 0.681 5.001 4.320 0.000 0.000 0.278 536 A C -0.208 177.341 177.584 -0.057 0.000 1.228 536 A CA -0.313 51.684 52.037 -0.066 0.000 0.857 536 A CB 1.093 20.087 19.000 -0.010 0.000 1.389 536 A HN 0.714 nan 8.150 nan 0.000 0.452 537 H N -0.610 118.454 119.070 -0.011 0.000 2.695 537 H HA 0.244 4.800 4.556 0.000 0.000 0.267 537 H C 0.267 175.582 175.328 -0.022 0.000 0.973 537 H CA 0.458 56.494 56.048 -0.020 0.000 1.223 537 H CB 0.314 30.064 29.762 -0.020 0.000 1.442 537 H HN 0.497 nan 8.280 nan 0.000 0.478 538 R N 2.237 122.807 120.500 0.116 0.000 3.247 538 R HA 0.055 4.395 4.340 0.000 0.000 0.212 538 R C 1.041 177.371 176.300 0.049 0.000 1.604 538 R CA -0.184 55.953 56.100 0.062 0.000 1.279 538 R CB -0.351 29.975 30.300 0.044 0.000 1.277 538 R HN 0.215 nan 8.270 nan 0.000 0.669 539 L N 0.359 121.610 121.223 0.047 0.000 2.198 539 L HA -0.409 3.931 4.340 0.000 0.000 0.218 539 L C 2.420 179.303 176.870 0.022 0.000 1.084 539 L CA 1.577 56.434 54.840 0.029 0.000 0.779 539 L CB -0.657 41.417 42.059 0.025 0.000 0.890 539 L HN 0.489 nan 8.230 nan 0.000 0.439 540 S N -0.735 114.995 115.700 0.050 0.000 2.423 540 S HA -0.198 4.272 4.470 0.000 0.000 0.238 540 S C 1.547 176.142 174.600 -0.007 0.000 1.028 540 S CA 1.825 60.045 58.200 0.033 0.000 1.000 540 S CB -0.443 62.784 63.200 0.046 0.000 0.797 540 S HN 0.688 nan 8.310 nan 0.000 0.487 541 T N -1.335 113.218 114.554 -0.001 0.000 3.268 541 T HA 0.539 4.889 4.350 0.000 0.000 0.244 541 T C 0.491 175.186 174.700 -0.008 0.000 0.915 541 T CA -0.342 61.754 62.100 -0.007 0.000 0.935 541 T CB -0.022 68.846 68.868 -0.001 0.000 1.110 541 T HN 0.314 nan 8.240 nan 0.000 0.573 542 I N -1.131 119.424 120.570 -0.025 0.000 5.285 542 I HA 0.203 4.373 4.170 0.000 0.000 0.351 542 I C 1.752 177.838 176.117 -0.053 0.000 1.206 542 I CA -0.138 61.156 61.300 -0.009 0.000 1.527 542 I CB 0.055 38.079 38.000 0.040 0.000 1.694 542 I HN 0.132 nan 8.210 nan 0.000 0.585 543 E N 2.073 122.167 120.200 -0.176 0.000 2.324 543 E HA -0.272 4.078 4.350 0.000 0.000 0.205 543 E C 0.607 177.096 176.600 -0.185 0.000 1.031 543 E CA 1.543 57.678 56.400 -0.442 0.000 0.836 543 E CB -0.167 29.185 29.700 -0.581 0.000 0.742 543 E HN 0.640 nan 8.360 nan 0.000 0.491 544 Q N -0.746 119.006 119.800 -0.080 0.000 2.318 544 Q HA 0.546 4.886 4.340 0.000 0.000 0.371 544 Q C -0.615 175.381 176.000 -0.007 0.000 0.896 544 Q CA -0.443 55.344 55.803 -0.027 0.000 1.134 544 Q CB 1.315 30.040 28.738 -0.023 0.000 1.329 544 Q HN -0.024 nan 8.270 nan 0.000 0.413 545 A N 0.447 123.268 122.820 0.003 0.000 2.303 545 A HA 0.282 4.602 4.320 0.000 0.000 0.317 545 A C 0.413 178.003 177.584 0.011 0.000 1.149 545 A CA -0.559 51.484 52.037 0.010 0.000 0.822 545 A CB 0.669 19.681 19.000 0.020 0.000 1.131 545 A HN 0.294 nan 8.150 nan 0.000 0.493 546 D N 0.038 120.443 120.400 0.009 0.000 2.265 546 D HA -0.072 4.568 4.640 0.000 0.000 0.208 546 D C 0.348 176.651 176.300 0.006 0.000 0.977 546 D CA 1.703 55.707 54.000 0.007 0.000 0.871 546 D CB 0.461 41.265 40.800 0.006 0.000 0.925 546 D HN 0.731 nan 8.370 nan 0.000 0.485 547 E N -0.664 119.543 120.200 0.011 0.000 2.431 547 E HA 0.244 4.594 4.350 0.000 0.000 0.287 547 E C -1.871 174.743 176.600 0.022 0.000 1.032 547 E CA -0.552 55.853 56.400 0.008 0.000 0.839 547 E CB 1.180 30.886 29.700 0.010 0.000 1.218 547 E HN -0.220 nan 8.360 nan 0.000 0.424 548 I N 2.926 123.507 120.570 0.018 0.000 2.389 548 I HA 0.269 4.439 4.170 0.000 0.000 0.288 548 I C -0.489 175.665 176.117 0.061 0.000 0.999 548 I CA -0.685 60.650 61.300 0.058 0.000 1.129 548 I CB 1.870 39.929 38.000 0.099 0.000 1.288 548 I HN 0.257 nan 8.210 nan 0.000 0.444 549 V N 7.260 127.221 119.914 0.079 0.000 2.304 549 V HA 0.253 4.373 4.120 0.000 0.000 0.262 549 V C 0.152 176.304 176.094 0.097 0.000 1.061 549 V CA -0.724 61.621 62.300 0.076 0.000 0.872 549 V CB 0.976 32.843 31.823 0.073 0.000 1.077 549 V HN 0.426 nan 8.190 nan 0.000 0.480 550 V N 5.867 125.847 119.914 0.111 0.000 2.508 550 V HA 0.315 4.435 4.120 0.000 0.000 0.281 550 V C 0.138 176.283 176.094 0.085 0.000 1.041 550 V CA 0.092 62.470 62.300 0.130 0.000 1.016 550 V CB 1.494 33.413 31.823 0.160 0.000 0.984 550 V HN 0.571 nan 8.190 nan 0.000 0.478 551 V N 5.598 125.558 119.914 0.078 0.000 2.686 551 V HA 0.643 4.763 4.120 0.000 0.000 0.306 551 V C -0.693 175.435 176.094 0.058 0.000 1.065 551 V CA -0.230 62.106 62.300 0.060 0.000 0.894 551 V CB 1.910 33.766 31.823 0.056 0.000 1.004 551 V HN 1.023 nan 8.190 nan 0.000 0.424 552 E N 4.356 124.585 120.200 0.049 0.000 2.340 552 E HA 0.304 4.654 4.350 0.000 0.000 0.273 552 E C -0.929 175.695 176.600 0.040 0.000 0.891 552 E CA -0.540 55.887 56.400 0.045 0.000 0.757 552 E CB 1.661 31.386 29.700 0.041 0.000 1.231 552 E HN 0.898 nan 8.360 nan 0.000 0.439 553 D N 2.864 123.288 120.400 0.040 0.000 2.890 553 D HA -0.209 4.431 4.640 0.000 0.000 0.226 553 D C 0.677 177.002 176.300 0.042 0.000 1.207 553 D CA 1.581 55.604 54.000 0.038 0.000 0.764 553 D CB -0.990 39.829 40.800 0.031 0.000 0.948 553 D HN 0.952 nan 8.370 nan 0.000 0.404 554 G N 1.364 110.195 108.800 0.052 0.000 2.216 554 G HA2 -0.323 3.637 3.960 0.000 0.000 0.269 554 G HA3 -0.323 3.637 3.960 0.000 0.000 0.269 554 G C 0.559 175.487 174.900 0.045 0.000 0.981 554 G CA 0.807 45.943 45.100 0.059 0.000 0.658 554 G HN 0.722 nan 8.290 nan 0.000 0.539 555 I N -0.108 120.484 120.570 0.036 0.000 2.619 555 I HA 0.614 4.784 4.170 0.000 0.000 0.292 555 I C 0.348 176.479 176.117 0.023 0.000 1.100 555 I CA -1.524 59.790 61.300 0.023 0.000 1.043 555 I CB 1.538 39.548 38.000 0.017 0.000 1.239 555 I HN 0.146 nan 8.210 nan 0.000 0.420 556 I N 7.133 127.712 120.570 0.014 0.000 2.813 556 I HA 0.040 4.210 4.170 0.000 0.000 0.287 556 I C -0.165 175.964 176.117 0.021 0.000 1.196 556 I CA 0.543 61.855 61.300 0.020 0.000 1.421 556 I CB 0.986 38.990 38.000 0.006 0.000 1.365 556 I HN 0.544 nan 8.210 nan 0.000 0.591 557 V N 4.770 124.702 119.914 0.031 0.000 3.392 557 V HA 0.367 4.487 4.120 0.000 0.000 0.285 557 V C -0.371 175.741 176.094 0.031 0.000 1.582 557 V CA -0.051 62.267 62.300 0.030 0.000 1.034 557 V CB 0.347 32.193 31.823 0.038 0.000 0.846 557 V HN 0.764 nan 8.190 nan 0.000 0.431 558 E N 1.392 121.612 120.200 0.034 0.000 2.597 558 E HA 0.348 4.698 4.350 0.000 0.000 0.310 558 E C -1.371 175.239 176.600 0.017 0.000 0.970 558 E CA -0.277 56.137 56.400 0.023 0.000 0.819 558 E CB 1.671 31.391 29.700 0.032 0.000 1.267 558 E HN 0.338 nan 8.360 nan 0.000 0.411 559 R N 1.931 122.429 120.500 -0.003 0.000 2.337 559 R HA 0.808 5.148 4.340 0.000 0.000 0.319 559 R C 0.136 176.413 176.300 -0.038 0.000 0.954 559 R CA -0.746 55.350 56.100 -0.007 0.000 0.840 559 R CB 1.793 32.095 30.300 0.002 0.000 1.164 559 R HN 0.477 nan 8.270 nan 0.000 0.472 560 G N 0.906 109.666 108.800 -0.066 0.000 2.623 560 G HA2 0.262 4.222 3.960 0.000 0.000 0.290 560 G HA3 0.262 4.222 3.960 0.000 0.000 0.290 560 G C -0.832 173.991 174.900 -0.129 0.000 1.437 560 G CA -0.544 44.495 45.100 -0.103 0.000 0.798 560 G HN 0.262 nan 8.290 nan 0.000 0.488 561 T N -0.101 114.381 114.554 -0.119 0.000 2.860 561 T HA 0.151 4.501 4.350 0.000 0.000 0.299 561 T C 1.480 176.078 174.700 -0.169 0.000 1.045 561 T CA 0.360 62.404 62.100 -0.094 0.000 1.071 561 T CB 0.953 69.785 68.868 -0.060 0.000 0.985 561 T HN 0.716 nan 8.240 nan 0.000 0.537 562 H N 1.381 120.335 119.070 -0.192 0.000 2.400 562 H HA -0.131 4.425 4.556 0.000 0.000 0.295 562 H C 2.293 177.469 175.328 -0.254 0.000 1.118 562 H CA 2.456 58.360 56.048 -0.240 0.000 1.256 562 H CB -0.265 29.440 29.762 -0.094 0.000 1.365 562 H HN 0.460 nan 8.280 nan 0.000 0.502 563 S N -0.576 114.971 115.700 -0.256 0.000 2.336 563 S HA -0.146 4.324 4.470 0.000 0.000 0.214 563 S C 1.973 176.413 174.600 -0.266 0.000 1.032 563 S CA 1.249 59.291 58.200 -0.263 0.000 1.001 563 S CB -0.219 62.910 63.200 -0.119 0.000 0.953 563 S HN 0.709 nan 8.310 nan 0.000 0.430 564 E N 0.933 121.011 120.200 -0.205 0.000 2.065 564 E HA -0.226 4.124 4.350 0.000 0.000 0.201 564 E C 2.199 178.653 176.600 -0.243 0.000 1.016 564 E CA 1.662 57.952 56.400 -0.183 0.000 0.818 564 E CB -0.540 29.077 29.700 -0.138 0.000 0.749 564 E HN 0.435 nan 8.360 nan 0.000 0.453 565 L N 0.661 121.675 121.223 -0.348 0.000 1.956 565 L HA -0.253 4.087 4.340 0.000 0.000 0.216 565 L C 2.609 179.254 176.870 -0.375 0.000 1.073 565 L CA 0.916 55.493 54.840 -0.439 0.000 0.762 565 L CB -0.592 40.904 42.059 -0.938 0.000 0.889 565 L HN 0.245 nan 8.230 nan 0.000 0.433 566 L N -0.105 120.844 121.223 -0.457 0.000 1.991 566 L HA -0.322 4.018 4.340 0.000 0.000 0.221 566 L C 2.784 179.414 176.870 -0.399 0.000 1.079 566 L CA 2.550 57.220 54.840 -0.283 0.000 0.778 566 L CB -1.362 40.499 42.059 -0.330 0.000 0.893 566 L HN 0.377 nan 8.230 nan 0.000 0.437 567 A N -1.058 121.550 122.820 -0.354 0.000 1.908 567 A HA -0.309 4.011 4.320 0.000 0.000 0.218 567 A C 2.212 179.575 177.584 -0.367 0.000 1.181 567 A CA 1.942 53.771 52.037 -0.347 0.000 0.627 567 A CB -0.670 18.221 19.000 -0.182 0.000 0.818 567 A HN 0.654 nan 8.150 nan 0.000 0.445 568 Q N -1.823 117.835 119.800 -0.236 0.000 2.291 568 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 568 Q C -0.266 175.729 176.000 -0.008 0.000 0.976 568 Q CA 1.093 56.835 55.803 -0.102 0.000 0.875 568 Q CB -0.157 28.535 28.738 -0.076 0.000 0.927 568 Q HN 0.737 nan 8.270 nan 0.000 0.450 569 H N -1.991 117.091 119.070 0.019 0.000 2.770 569 H HA -0.151 4.405 4.556 0.000 0.000 0.309 569 H C -0.357 174.998 175.328 0.045 0.000 1.206 569 H CA 0.990 57.062 56.048 0.041 0.000 1.147 569 H CB -1.790 27.989 29.762 0.028 0.000 1.422 569 H HN 0.410 nan 8.280 nan 0.000 0.420 570 G N -0.089 108.787 108.800 0.126 0.000 2.788 570 G HA2 0.431 4.391 3.960 0.000 0.000 0.327 570 G HA3 0.431 4.391 3.960 0.000 0.000 0.327 570 G C 0.935 175.909 174.900 0.123 0.000 1.249 570 G CA 0.257 45.419 45.100 0.104 0.000 1.063 570 G HN 0.533 nan 8.290 nan 0.000 0.497 571 V N 2.550 122.530 119.914 0.109 0.000 1.282 571 V HA -0.436 3.684 4.120 0.000 0.000 0.028 571 V C 1.723 177.886 176.094 0.116 0.000 1.758 571 V CA 3.266 65.621 62.300 0.091 0.000 2.654 571 V CB -1.578 30.285 31.823 0.067 0.000 1.549 571 V HN 0.966 nan 8.190 nan 0.000 0.905 572 Y N 1.179 121.497 120.300 0.031 0.000 2.130 572 Y HA 0.134 4.684 4.550 -0.000 0.000 0.287 572 Y C 2.327 178.258 175.900 0.053 0.000 1.124 572 Y CA 3.199 61.318 58.100 0.032 0.000 1.118 572 Y CB -0.978 37.488 38.460 0.009 0.000 0.994 572 Y HN 0.415 nan 8.280 nan 0.000 0.497 573 A N 0.886 123.963 122.820 0.428 0.000 1.903 573 A HA -0.328 3.992 4.320 0.000 0.000 0.219 573 A C 2.270 179.954 177.584 0.166 0.000 1.191 573 A CA 2.207 54.438 52.037 0.324 0.000 0.638 573 A CB -1.126 18.021 19.000 0.246 0.000 0.823 573 A HN 0.641 nan 8.150 nan 0.000 0.451 574 Q N -0.245 119.622 119.800 0.112 0.000 2.062 574 Q HA -0.206 4.134 4.340 0.000 0.000 0.209 574 Q C 2.168 178.143 176.000 -0.041 0.000 0.996 574 Q CA 2.174 57.996 55.803 0.033 0.000 0.859 574 Q CB -0.453 28.301 28.738 0.027 0.000 0.920 574 Q HN 0.743 nan 8.270 nan 0.000 0.415 575 L N -0.592 120.589 121.223 -0.071 0.000 2.083 575 L HA -0.200 4.140 4.340 0.000 0.000 0.209 575 L C 2.468 179.248 176.870 -0.150 0.000 1.083 575 L CA 1.377 56.134 54.840 -0.138 0.000 0.752 575 L CB -0.590 41.359 42.059 -0.183 0.000 0.899 575 L HN 0.299 nan 8.230 nan 0.000 0.433 576 H N 0.108 119.026 119.070 -0.254 0.000 2.546 576 H HA -0.085 4.471 4.556 0.000 0.000 0.277 576 H C 2.062 177.227 175.328 -0.272 0.000 1.004 576 H CA 0.933 56.861 56.048 -0.199 0.000 1.231 576 H CB 0.211 29.959 29.762 -0.022 0.000 1.382 576 H HN 0.035 nan 8.280 nan 0.000 0.580 577 K N -0.002 120.232 120.400 -0.276 0.000 2.063 577 K HA -0.023 4.297 4.320 0.000 0.000 0.204 577 K C 1.797 178.027 176.600 -0.617 0.000 1.039 577 K CA 0.804 56.839 56.287 -0.421 0.000 0.957 577 K CB -0.104 32.300 32.500 -0.160 0.000 0.764 577 K HN 0.243 nan 8.250 nan 0.000 0.447 578 M N 1.969 121.355 119.600 -0.356 0.000 2.331 578 M HA -0.190 4.290 4.480 0.000 0.000 0.260 578 M C 1.881 177.948 176.300 -0.388 0.000 1.072 578 M CA 1.256 56.378 55.300 -0.297 0.000 1.065 578 M CB -1.084 31.404 32.600 -0.187 0.000 1.392 578 M HN 0.243 nan 8.290 nan 0.000 0.427 579 Q N 0.695 120.180 119.800 -0.526 0.000 2.207 579 Q HA -0.201 4.139 4.340 0.000 0.000 0.215 579 Q C 0.651 176.467 176.000 -0.308 0.000 1.006 579 Q CA 1.925 57.459 55.803 -0.448 0.000 0.903 579 Q CB -0.070 28.314 28.738 -0.590 0.000 0.947 579 Q HN 0.599 nan 8.270 nan 0.000 0.414 580 F N -3.789 116.115 119.950 -0.076 0.000 3.430 580 F HA 0.724 5.251 4.527 0.000 0.000 0.299 580 F C 0.555 176.328 175.800 -0.045 0.000 1.472 580 F CA -0.412 57.555 58.000 -0.056 0.000 1.004 580 F CB 0.196 39.161 39.000 -0.058 0.000 1.708 580 F HN 0.030 nan 8.300 nan 0.000 0.435 581 G N 0.000 109.023 108.800 0.372 0.000 5.446 581 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 581 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 581 G CA 0.000 45.214 45.100 0.190 0.000 0.502 581 G HN 0.000 nan 8.290 nan 0.000 0.925