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 3h1t_1_A DATA FIRST_RESID 21 DATA SEQUENCE SXALNEADTC RVYVTPKLKE SGWENNPSAI TEQYTFTDGR VQFKGSKVQR DATA SEQUENCE GEQKRADYLL KYTRDFPIAV VEAKPENSPV GQGXQQAKDY AEILGLKFAY DATA SEQUENCE STNGHEILEF DYTTGEEQLL SRFPTPDELF KRLCGDEGIK DEDLDTLLSP DATA SEQUENCE YHHVXXXXPR YYQQIAINRA VQSVLQGKKR SLITXATGTG KTVVAFQISW DATA SEQUENCE KLWSARWNRT GDYRKPRILF LADXXXXXXX XXXXTFTPFG DARHKIEGXX DATA SEQUENCE VVKSREIYFA IYQSIXXXXX XPGLYKEFPQ DFFDLIIIDE CHXXXXXXXX DATA SEQUENCE XWREILEYFE PAFQIGXTAT PLREDNRDTY RYFGNPIYTY SLRQGIDDGF DATA SEQUENCE LAPYRVHRVI SEVDAXXXXX XXXXXXXXXX XXXXXXXXTK DFERVIALKA DATA SEQUENCE RTDAFAKHLT DFXKRTDRFA KTIVFCVDQE HADEXRRALN NLNSDLSRKH DATA SEQUENCE PDYVARVTSE EGKIGKGHLS RFQELETSTP VILTTSQLLT TGVDAPTCKN DATA SEQUENCE VVLARVVNSX SEFKQIVGRG TRLREDYGKL WFNIIDYTGS ATQNFADPDF DATA SEQUENCE DGYPEIEDEV VIDEDGEEVV 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.615 174.600 0.025 0.000 1.055 21 S CA 0.000 58.213 58.200 0.021 0.000 1.107 21 S CB 0.000 63.210 63.200 0.017 0.000 0.593 24 L N 2.064 123.333 121.223 0.077 0.000 2.334 24 L HA 0.334 4.673 4.340 -0.001 0.000 0.277 24 L C 0.804 177.721 176.870 0.079 0.000 1.075 24 L CA -0.943 53.952 54.840 0.092 0.000 0.804 24 L CB 1.098 43.245 42.059 0.145 0.000 1.174 24 L HN 0.858 nan 8.230 nan 0.000 0.438 25 N N 1.141 119.884 118.700 0.072 0.000 2.273 25 N HA -0.130 4.610 4.740 -0.001 0.000 0.227 25 N C 0.933 176.486 175.510 0.072 0.000 1.292 25 N CA 0.344 53.431 53.050 0.061 0.000 0.875 25 N CB 0.528 39.047 38.487 0.054 0.000 1.105 25 N HN 0.650 nan 8.380 nan 0.000 0.434 26 E N 0.701 120.938 120.200 0.062 0.000 2.072 26 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 26 E C 1.448 178.098 176.600 0.085 0.000 0.985 26 E CA 1.223 57.666 56.400 0.072 0.000 0.801 26 E CB -0.113 29.622 29.700 0.059 0.000 0.750 26 E HN 0.640 nan 8.360 nan 0.000 0.452 27 A N 1.121 123.980 122.820 0.065 0.000 1.902 27 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 27 A C 1.836 179.470 177.584 0.084 0.000 1.181 27 A CA 1.772 53.845 52.037 0.061 0.000 0.623 27 A CB -0.495 18.527 19.000 0.037 0.000 0.818 27 A HN 0.292 nan 8.150 nan 0.000 0.443 28 D N -0.629 119.824 120.400 0.088 0.000 2.144 28 D HA -0.114 4.526 4.640 -0.001 0.000 0.200 28 D C 2.281 178.677 176.300 0.160 0.000 0.978 28 D CA 2.034 56.096 54.000 0.104 0.000 0.833 28 D CB -0.538 40.318 40.800 0.093 0.000 0.961 28 D HN 0.600 nan 8.370 nan 0.000 0.470 29 T N -1.865 112.800 114.554 0.185 0.000 2.995 29 T HA -0.082 4.268 4.350 -0.001 0.000 0.269 29 T C 2.221 177.096 174.700 0.292 0.000 1.091 29 T CA 0.779 63.049 62.100 0.284 0.000 1.128 29 T CB -0.604 68.373 68.868 0.182 0.000 0.891 29 T HN 0.105 nan 8.240 nan 0.000 0.492 30 C N 0.784 120.218 119.300 0.224 0.000 2.457 30 C HA 0.248 4.708 4.460 -0.001 0.000 0.278 30 C C 2.940 178.062 174.990 0.220 0.000 1.309 30 C CA 0.630 59.804 59.018 0.261 0.000 1.735 30 C CB -1.069 26.832 27.740 0.268 0.000 1.992 30 C HN 0.666 nan 8.230 nan 0.000 0.493 31 R N 0.712 121.309 120.500 0.161 0.000 2.073 31 R HA -0.072 4.268 4.340 -0.001 0.000 0.229 31 R C 1.905 178.254 176.300 0.082 0.000 1.120 31 R CA 1.558 57.724 56.100 0.109 0.000 0.967 31 R CB -0.178 30.167 30.300 0.076 0.000 0.862 31 R HN 0.355 nan 8.270 nan 0.000 0.436 32 V N -0.130 119.837 119.914 0.089 0.000 2.535 32 V HA -0.112 4.007 4.120 -0.001 0.000 0.246 32 V C 1.237 177.241 176.094 -0.151 0.000 1.045 32 V CA 1.406 63.678 62.300 -0.048 0.000 1.058 32 V CB -0.279 31.497 31.823 -0.080 0.000 0.689 32 V HN 0.323 nan 8.190 nan 0.000 0.461 33 Y N -1.573 118.780 120.300 0.089 0.000 2.569 33 Y HA 0.172 4.722 4.550 -0.001 0.000 0.278 33 Y C 2.211 178.173 175.900 0.104 0.000 1.130 33 Y CA 0.582 58.740 58.100 0.097 0.000 1.280 33 Y CB -0.620 37.907 38.460 0.113 0.000 1.379 33 Y HN -0.123 nan 8.280 nan 0.000 0.508 34 V N -0.027 120.067 119.914 0.299 0.000 2.233 34 V HA -0.322 3.797 4.120 -0.001 0.000 0.247 34 V C 2.131 178.224 176.094 -0.001 0.000 1.050 34 V CA 2.704 65.101 62.300 0.162 0.000 1.010 34 V CB -1.324 30.574 31.823 0.125 0.000 0.637 34 V HN 0.451 nan 8.190 nan 0.000 0.444 35 T N 0.303 114.888 114.554 0.053 0.000 2.720 35 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 35 T C -0.019 174.693 174.700 0.018 0.000 1.037 35 T CA 2.105 64.218 62.100 0.023 0.000 1.144 35 T CB -1.240 67.710 68.868 0.137 0.000 0.864 35 T HN 0.434 nan 8.240 nan 0.000 0.444 36 P HA -0.025 nan 4.420 nan 0.000 0.216 36 P C 1.411 178.753 177.300 0.068 0.000 1.153 36 P CA 1.142 64.269 63.100 0.046 0.000 0.848 36 P CB -0.004 31.713 31.700 0.028 0.000 0.787 37 K N -0.787 119.684 120.400 0.118 0.000 2.147 37 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 37 K C 2.020 178.735 176.600 0.191 0.000 1.049 37 K CA 1.012 57.421 56.287 0.203 0.000 0.936 37 K CB -0.603 32.099 32.500 0.337 0.000 0.722 37 K HN 0.164 nan 8.250 nan 0.000 0.446 38 L N 0.867 122.076 121.223 -0.024 0.000 2.056 38 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 38 L C 2.240 179.167 176.870 0.095 0.000 1.078 38 L CA 1.356 56.095 54.840 -0.167 0.000 0.749 38 L CB -0.208 41.557 42.059 -0.490 0.000 0.901 38 L HN 0.098 nan 8.230 nan 0.000 0.433 39 K N -0.007 120.426 120.400 0.054 0.000 2.057 39 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 39 K C 1.958 178.592 176.600 0.057 0.000 1.050 39 K CA 1.253 57.577 56.287 0.061 0.000 0.935 39 K CB -0.053 32.470 32.500 0.037 0.000 0.715 39 K HN 0.285 nan 8.250 nan 0.000 0.439 40 E N 0.267 120.507 120.200 0.068 0.000 2.209 40 E HA -0.121 4.228 4.350 -0.001 0.000 0.196 40 E C 1.242 177.878 176.600 0.061 0.000 0.993 40 E CA 1.002 57.438 56.400 0.059 0.000 0.819 40 E CB 0.097 29.841 29.700 0.073 0.000 0.745 40 E HN 0.093 nan 8.360 nan 0.000 0.477 41 S N -0.872 114.896 115.700 0.113 0.000 2.605 41 S HA 0.175 4.645 4.470 -0.001 0.000 0.217 41 S C 1.034 175.576 174.600 -0.096 0.000 0.958 41 S CA 0.438 58.694 58.200 0.093 0.000 0.919 41 S CB 0.880 64.251 63.200 0.286 0.000 0.780 41 S HN 0.488 nan 8.310 nan 0.000 0.507 42 G N 0.623 109.367 108.800 -0.094 0.000 2.136 42 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.242 42 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.242 42 G C 0.287 174.991 174.900 -0.328 0.000 0.989 42 G CA -0.000 44.972 45.100 -0.212 0.000 0.682 42 G HN 0.646 nan 8.290 nan 0.000 0.522 43 W N 0.042 121.298 121.300 -0.072 0.000 3.180 43 W HA 0.404 5.063 4.660 -0.001 0.000 0.254 43 W C 1.855 178.328 176.519 -0.077 0.000 1.318 43 W CA 0.735 58.030 57.345 -0.084 0.000 1.608 43 W CB 0.530 29.911 29.460 -0.132 0.000 1.124 43 W HN 0.441 nan 8.180 nan 0.000 0.694 44 E N -0.010 120.225 120.200 0.058 0.000 2.562 44 E HA 0.062 4.412 4.350 -0.001 0.000 0.214 44 E C -0.498 176.084 176.600 -0.029 0.000 0.979 44 E CA -0.065 56.352 56.400 0.028 0.000 1.002 44 E CB -0.072 29.648 29.700 0.033 0.000 1.048 44 E HN 0.269 nan 8.360 nan 0.000 0.488 45 N N 1.156 119.810 118.700 -0.076 0.000 2.414 45 N HA 0.142 4.882 4.740 -0.001 0.000 0.256 45 N C -0.977 174.454 175.510 -0.133 0.000 1.029 45 N CA -0.333 52.656 53.050 -0.101 0.000 0.948 45 N CB 0.742 39.156 38.487 -0.122 0.000 1.102 45 N HN 0.096 nan 8.380 nan 0.000 0.496 46 N N 2.536 121.169 118.700 -0.112 0.000 2.294 46 N HA -0.051 4.689 4.740 -0.001 0.000 0.248 46 N C -1.105 174.293 175.510 -0.188 0.000 1.242 46 N CA -0.778 52.193 53.050 -0.133 0.000 0.848 46 N CB 0.606 39.034 38.487 -0.099 0.000 1.084 46 N HN 0.551 nan 8.380 nan 0.000 0.457 47 P HA 0.011 nan 4.420 nan 0.000 0.241 47 P C -0.505 176.654 177.300 -0.236 0.000 1.191 47 P CA 0.359 63.317 63.100 -0.236 0.000 0.771 47 P CB 0.397 31.928 31.700 -0.282 0.000 0.929 48 S N 0.253 115.787 115.700 -0.277 0.000 2.584 48 S HA 0.481 4.951 4.470 -0.001 0.000 0.270 48 S C 0.497 175.080 174.600 -0.028 0.000 1.346 48 S CA 0.106 58.206 58.200 -0.166 0.000 1.018 48 S CB 0.686 63.750 63.200 -0.226 0.000 0.899 48 S HN 0.443 nan 8.310 nan 0.000 0.542 49 A N 0.812 123.684 122.820 0.086 0.000 2.602 49 A HA 0.807 5.127 4.320 -0.001 0.000 0.290 49 A C -1.670 175.995 177.584 0.135 0.000 1.114 49 A CA -0.698 51.389 52.037 0.084 0.000 0.683 49 A CB 0.808 19.826 19.000 0.030 0.000 1.281 49 A HN 0.578 nan 8.150 nan 0.000 0.416 50 I N 0.529 121.152 120.570 0.090 0.000 2.498 50 I HA 0.566 4.736 4.170 -0.001 0.000 0.290 50 I C 0.032 176.185 176.117 0.061 0.000 1.032 50 I CA -0.090 61.253 61.300 0.072 0.000 1.073 50 I CB 2.454 40.509 38.000 0.092 0.000 1.251 50 I HN 0.617 nan 8.210 nan 0.000 0.426 51 T N 4.752 119.331 114.554 0.042 0.000 2.934 51 T HA 0.441 4.790 4.350 -0.001 0.000 0.328 51 T C -0.376 174.340 174.700 0.026 0.000 1.068 51 T CA -0.622 61.501 62.100 0.038 0.000 1.018 51 T CB 0.236 69.124 68.868 0.034 0.000 1.009 51 T HN 0.564 nan 8.240 nan 0.000 0.471 52 E N 3.041 123.221 120.200 -0.032 0.000 2.383 52 E HA 0.151 4.501 4.350 -0.001 0.000 0.264 52 E C -0.075 176.444 176.600 -0.135 0.000 1.050 52 E CA -0.516 55.742 56.400 -0.236 0.000 0.896 52 E CB 0.423 29.940 29.700 -0.306 0.000 0.982 52 E HN 0.583 nan 8.360 nan 0.000 0.424 53 Q N 0.988 120.676 119.800 -0.186 0.000 2.454 53 Q HA -0.257 4.082 4.340 -0.001 0.000 0.341 53 Q C -1.155 174.861 176.000 0.026 0.000 1.437 53 Q CA 0.763 56.513 55.803 -0.088 0.000 0.935 53 Q CB -1.936 26.746 28.738 -0.092 0.000 1.164 53 Q HN 0.497 nan 8.270 nan 0.000 0.373 54 Y N 0.535 120.800 120.300 -0.057 0.000 2.531 54 Y HA 0.210 4.760 4.550 -0.001 0.000 0.347 54 Y C 0.026 175.996 175.900 0.117 0.000 1.024 54 Y CA 0.027 58.145 58.100 0.031 0.000 1.306 54 Y CB 0.761 39.237 38.460 0.027 0.000 1.149 54 Y HN 0.079 nan 8.280 nan 0.000 0.527 55 T N 9.055 123.464 114.554 -0.242 0.000 2.744 55 T HA 0.245 4.594 4.350 -0.001 0.000 0.291 55 T C 0.023 174.446 174.700 -0.460 0.000 0.957 55 T CA -0.299 61.608 62.100 -0.323 0.000 1.002 55 T CB -0.063 68.688 68.868 -0.195 0.000 0.919 55 T HN 0.599 nan 8.240 nan 0.000 0.468 56 F N -0.043 119.583 119.950 -0.540 0.000 2.781 56 F HA 0.546 5.073 4.527 -0.001 0.000 0.322 56 F C 0.238 176.057 175.800 0.031 0.000 1.108 56 F CA -0.742 57.035 58.000 -0.371 0.000 1.179 56 F CB 0.002 38.654 39.000 -0.581 0.000 1.072 56 F HN 0.335 nan 8.300 nan 0.000 0.545 57 T N 0.186 114.480 114.554 -0.434 0.000 2.916 57 T HA 0.285 4.635 4.350 -0.001 0.000 0.292 57 T C -0.219 174.263 174.700 -0.363 0.000 1.064 57 T CA -0.275 61.615 62.100 -0.350 0.000 1.011 57 T CB 2.063 70.636 68.868 -0.493 0.000 1.152 57 T HN -0.040 nan 8.240 nan 0.000 0.510 58 D N 0.418 120.492 120.400 -0.544 0.000 2.407 58 D HA 0.342 4.982 4.640 -0.001 0.000 0.208 58 D C 0.692 176.833 176.300 -0.266 0.000 1.083 58 D CA 0.582 54.364 54.000 -0.364 0.000 0.844 58 D CB 0.364 40.930 40.800 -0.390 0.000 0.967 58 D HN 0.927 nan 8.370 nan 0.000 0.506 59 G N 1.657 110.293 108.800 -0.274 0.000 3.421 59 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.686 59 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.686 59 G C -0.351 174.455 174.900 -0.157 0.000 1.056 59 G CA -0.843 44.145 45.100 -0.187 0.000 0.891 59 G HN 0.191 nan 8.290 nan 0.000 0.514 60 R N 1.685 122.110 120.500 -0.126 0.000 2.522 60 R HA 0.280 4.620 4.340 -0.001 0.000 0.284 60 R C 0.693 176.936 176.300 -0.095 0.000 1.032 60 R CA -0.339 55.706 56.100 -0.092 0.000 1.049 60 R CB 0.450 30.710 30.300 -0.067 0.000 0.956 60 R HN 0.457 nan 8.270 nan 0.000 0.422 61 V N 5.936 125.803 119.914 -0.079 0.000 2.450 61 V HA -0.016 4.103 4.120 -0.001 0.000 0.281 61 V C 0.458 176.434 176.094 -0.196 0.000 1.019 61 V CA 0.664 62.886 62.300 -0.131 0.000 1.062 61 V CB 0.960 32.746 31.823 -0.062 0.000 0.979 61 V HN 0.818 nan 8.190 nan 0.000 0.477 62 Q N 3.175 122.802 119.800 -0.288 0.000 2.486 62 Q HA 0.724 5.063 4.340 -0.001 0.000 0.274 62 Q C -1.508 174.172 176.000 -0.532 0.000 1.076 62 Q CA -0.621 55.038 55.803 -0.240 0.000 0.872 62 Q CB 2.504 31.177 28.738 -0.108 0.000 1.383 62 Q HN 0.612 nan 8.270 nan 0.000 0.478 63 F N 0.073 119.955 119.950 -0.114 0.000 2.576 63 F HA 0.547 5.073 4.527 -0.000 0.000 0.313 63 F C -0.520 175.224 175.800 -0.092 0.000 1.078 63 F CA -0.920 57.005 58.000 -0.125 0.000 0.921 63 F CB 1.748 40.630 39.000 -0.196 0.000 1.232 63 F HN 0.018 nan 8.300 nan 0.000 0.459 64 K N 1.828 122.286 120.400 0.096 0.000 2.615 64 K HA 0.549 4.869 4.320 -0.001 0.000 0.249 64 K C 0.228 176.851 176.600 0.039 0.000 0.977 64 K CA -0.078 56.233 56.287 0.040 0.000 0.833 64 K CB 1.585 34.088 32.500 0.004 0.000 1.208 64 K HN 0.817 nan 8.250 nan 0.000 0.443 65 G N 2.274 111.088 108.800 0.024 0.000 2.574 65 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.286 65 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.286 65 G C 0.490 175.407 174.900 0.027 0.000 1.212 65 G CA 0.563 45.673 45.100 0.015 0.000 0.979 65 G HN 0.594 nan 8.290 nan 0.000 0.557 66 S N 0.187 115.906 115.700 0.032 0.000 2.605 66 S HA 0.408 4.877 4.470 -0.001 0.000 0.217 66 S C 0.575 175.228 174.600 0.087 0.000 0.958 66 S CA 1.021 59.248 58.200 0.046 0.000 0.919 66 S CB 0.301 63.522 63.200 0.035 0.000 0.780 66 S HN 0.728 nan 8.310 nan 0.000 0.507 67 K N 1.490 121.939 120.400 0.082 0.000 2.203 67 K HA 0.656 4.976 4.320 -0.001 0.000 0.251 67 K C -0.580 176.046 176.600 0.043 0.000 0.944 67 K CA -0.917 55.414 56.287 0.074 0.000 0.829 67 K CB 2.347 34.868 32.500 0.036 0.000 1.125 67 K HN 0.108 nan 8.250 nan 0.000 0.430 68 V N -0.125 119.776 119.914 -0.022 0.000 2.732 68 V HA 0.631 4.751 4.120 -0.001 0.000 0.310 68 V C -0.944 175.036 176.094 -0.190 0.000 1.053 68 V CA -0.154 61.996 62.300 -0.250 0.000 0.957 68 V CB 1.310 32.918 31.823 -0.359 0.000 1.018 68 V HN 0.975 nan 8.190 nan 0.000 0.452 69 Q N 2.929 122.573 119.800 -0.261 0.000 2.804 69 Q HA 0.563 4.903 4.340 -0.001 0.000 0.302 69 Q C -1.594 174.302 176.000 -0.174 0.000 0.885 69 Q CA -1.236 54.469 55.803 -0.162 0.000 0.759 69 Q CB 1.668 30.342 28.738 -0.107 0.000 1.465 69 Q HN 0.769 nan 8.270 nan 0.000 0.432 70 R N -0.076 120.351 120.500 -0.122 0.000 2.428 70 R HA 0.691 5.030 4.340 -0.001 0.000 0.294 70 R C -0.061 176.179 176.300 -0.101 0.000 1.000 70 R CA -0.023 56.009 56.100 -0.115 0.000 0.960 70 R CB 1.658 31.898 30.300 -0.100 0.000 1.076 70 R HN 0.791 nan 8.270 nan 0.000 0.475 71 G N 0.660 109.402 108.800 -0.097 0.000 3.410 71 G HA2 0.221 4.180 3.960 -0.001 0.000 0.189 71 G HA3 0.221 4.180 3.960 -0.001 0.000 0.189 71 G C -0.137 174.708 174.900 -0.092 0.000 1.404 71 G CA -0.015 45.036 45.100 -0.082 0.000 0.898 71 G HN 0.621 nan 8.290 nan 0.000 0.650 72 E N -2.372 117.777 120.200 -0.085 0.000 3.401 72 E HA -0.281 4.068 4.350 -0.001 0.000 0.352 72 E C -0.278 176.247 176.600 -0.126 0.000 1.523 72 E CA 1.805 58.144 56.400 -0.101 0.000 1.794 72 E CB -0.667 28.964 29.700 -0.116 0.000 1.792 72 E HN 0.593 nan 8.360 nan 0.000 0.471 73 Q N -0.606 119.088 119.800 -0.178 0.000 2.272 73 Q HA -0.120 4.219 4.340 -0.001 0.000 0.307 73 Q C -1.267 174.567 176.000 -0.275 0.000 1.223 73 Q CA 1.104 56.771 55.803 -0.226 0.000 0.696 73 Q CB -1.072 27.566 28.738 -0.168 0.000 0.943 73 Q HN 0.413 nan 8.270 nan 0.000 0.330 74 K N 1.619 121.758 120.400 -0.434 0.000 2.401 74 K HA 0.391 4.710 4.320 -0.001 0.000 0.278 74 K C 0.507 176.719 176.600 -0.648 0.000 1.018 74 K CA 0.142 56.114 56.287 -0.525 0.000 0.981 74 K CB 0.964 33.006 32.500 -0.764 0.000 0.933 74 K HN 0.298 nan 8.250 nan 0.000 0.477 75 R N 1.050 121.406 120.500 -0.239 0.000 2.584 75 R HA 0.457 4.796 4.340 -0.001 0.000 0.276 75 R C -1.842 174.360 176.300 -0.164 0.000 1.046 75 R CA -0.521 55.495 56.100 -0.140 0.000 0.906 75 R CB 1.839 32.065 30.300 -0.123 0.000 1.215 75 R HN 0.730 nan 8.270 nan 0.000 0.449 76 A N 2.511 125.246 122.820 -0.140 0.000 2.330 76 A HA 0.304 4.624 4.320 -0.001 0.000 0.327 76 A C 0.137 177.636 177.584 -0.142 0.000 1.155 76 A CA -0.676 51.129 52.037 -0.388 0.000 0.803 76 A CB 1.057 19.849 19.000 -0.346 0.000 1.208 76 A HN 0.875 nan 8.150 nan 0.000 0.477 77 D N 0.208 120.542 120.400 -0.111 0.000 2.106 77 D HA -0.108 4.531 4.640 -0.001 0.000 0.191 77 D C -0.380 175.745 176.300 -0.291 0.000 0.997 77 D CA 2.356 56.270 54.000 -0.143 0.000 0.834 77 D CB -0.125 40.689 40.800 0.024 0.000 0.956 77 D HN 0.612 nan 8.370 nan 0.000 0.448 78 Y N -1.255 119.013 120.300 -0.053 0.000 2.534 78 Y HA 0.447 4.996 4.550 -0.001 0.000 0.345 78 Y C -0.296 175.527 175.900 -0.129 0.000 1.031 78 Y CA -0.856 57.188 58.100 -0.092 0.000 1.022 78 Y CB 2.321 40.688 38.460 -0.156 0.000 1.292 78 Y HN -0.221 nan 8.280 nan 0.000 0.459 79 L N 4.802 126.025 121.223 -0.001 0.000 2.356 79 L HA 0.583 4.922 4.340 -0.001 0.000 0.277 79 L C -1.664 175.109 176.870 -0.162 0.000 0.996 79 L CA -0.788 53.956 54.840 -0.161 0.000 0.822 79 L CB 1.449 43.261 42.059 -0.411 0.000 1.256 79 L HN 0.669 nan 8.230 nan 0.000 0.413 80 L N 5.551 126.643 121.223 -0.218 0.000 2.265 80 L HA 0.447 4.786 4.340 -0.001 0.000 0.289 80 L C -0.119 176.757 176.870 0.009 0.000 1.033 80 L CA -0.543 54.123 54.840 -0.290 0.000 0.814 80 L CB 1.280 42.765 42.059 -0.958 0.000 1.203 80 L HN 0.487 nan 8.230 nan 0.000 0.423 81 K N 2.357 122.855 120.400 0.163 0.000 2.213 81 K HA 0.135 4.455 4.320 -0.001 0.000 0.270 81 K C 0.131 176.963 176.600 0.386 0.000 1.002 81 K CA -0.638 55.782 56.287 0.223 0.000 0.868 81 K CB 1.969 34.520 32.500 0.085 0.000 1.093 81 K HN 0.380 nan 8.250 nan 0.000 0.454 82 Y N 2.530 123.027 120.300 0.329 0.000 2.200 82 Y HA -0.101 4.448 4.550 -0.001 0.000 0.290 82 Y C 0.550 176.446 175.900 -0.007 0.000 1.137 82 Y CA 1.344 59.547 58.100 0.171 0.000 1.163 82 Y CB 0.615 39.161 38.460 0.143 0.000 0.988 82 Y HN 0.476 nan 8.280 nan 0.000 0.518 83 T N -0.278 114.274 114.554 -0.004 0.000 2.864 83 T HA 0.264 4.614 4.350 -0.001 0.000 0.289 83 T C 0.784 175.481 174.700 -0.004 0.000 1.082 83 T CA -0.740 61.277 62.100 -0.139 0.000 1.009 83 T CB 2.129 70.912 68.868 -0.143 0.000 1.234 83 T HN 0.004 nan 8.240 nan 0.000 0.526 84 R N 0.628 121.103 120.500 -0.042 0.000 2.083 84 R HA -0.081 4.259 4.340 -0.001 0.000 0.237 84 R C 0.153 176.461 176.300 0.013 0.000 1.137 84 R CA 1.765 57.856 56.100 -0.014 0.000 0.951 84 R CB -0.177 30.109 30.300 -0.023 0.000 0.851 84 R HN 0.523 nan 8.270 nan 0.000 0.434 85 D N -0.936 119.452 120.400 -0.020 0.000 2.395 85 D HA 0.031 4.671 4.640 -0.001 0.000 0.226 85 D C -0.871 175.393 176.300 -0.060 0.000 1.146 85 D CA 0.201 54.111 54.000 -0.149 0.000 0.830 85 D CB 0.070 40.563 40.800 -0.512 0.000 0.958 85 D HN 0.067 nan 8.370 nan 0.000 0.501 86 F N 2.298 122.199 119.950 -0.082 0.000 2.931 86 F HA 0.250 4.776 4.527 -0.001 0.000 0.375 86 F C -2.503 173.348 175.800 0.084 0.000 1.243 86 F CA -2.171 55.834 58.000 0.009 0.000 1.206 86 F CB 1.660 40.691 39.000 0.050 0.000 1.643 86 F HN -0.252 nan 8.300 nan 0.000 0.593 87 P HA 0.179 nan 4.420 nan 0.000 0.272 87 P C 0.220 177.501 177.300 -0.032 0.000 1.223 87 P CA 0.260 63.325 63.100 -0.058 0.000 0.784 87 P CB 2.548 34.150 31.700 -0.163 0.000 0.923 88 I N -0.169 120.487 120.570 0.144 0.000 5.046 88 I HA 0.338 4.508 4.170 -0.001 0.000 0.341 88 I C -0.037 176.277 176.117 0.328 0.000 1.257 88 I CA 0.098 61.572 61.300 0.289 0.000 1.421 88 I CB 0.667 39.007 38.000 0.568 0.000 1.495 88 I HN 0.419 nan 8.210 nan 0.000 0.518 89 A N 0.065 122.994 122.820 0.182 0.000 2.593 89 A HA 0.784 5.103 4.320 -0.001 0.000 0.290 89 A C -1.852 175.777 177.584 0.076 0.000 1.126 89 A CA -0.422 51.745 52.037 0.217 0.000 0.695 89 A CB 2.032 21.229 19.000 0.328 0.000 1.290 89 A HN -0.055 nan 8.150 nan 0.000 0.414 90 V N -0.009 120.009 119.914 0.173 0.000 2.971 90 V HA 0.719 4.839 4.120 -0.001 0.000 0.309 90 V C -1.497 174.739 176.094 0.237 0.000 1.130 90 V CA -0.418 61.955 62.300 0.122 0.000 0.964 90 V CB 2.176 34.057 31.823 0.096 0.000 1.029 90 V HN 1.047 nan 8.190 nan 0.000 0.427 91 V N 4.458 124.485 119.914 0.188 0.000 2.656 91 V HA 0.644 4.763 4.120 -0.001 0.000 0.307 91 V C -0.673 175.582 176.094 0.268 0.000 1.051 91 V CA -0.680 61.772 62.300 0.254 0.000 0.893 91 V CB 1.944 33.828 31.823 0.101 0.000 0.999 91 V HN 0.835 nan 8.190 nan 0.000 0.426 92 E N 2.645 123.010 120.200 0.276 0.000 2.129 92 E HA 0.704 5.053 4.350 -0.001 0.000 0.268 92 E C -0.383 176.353 176.600 0.227 0.000 0.900 92 E CA -0.229 56.321 56.400 0.250 0.000 0.755 92 E CB 1.928 31.776 29.700 0.246 0.000 1.117 92 E HN 0.857 nan 8.360 nan 0.000 0.410 93 A N 3.957 126.912 122.820 0.224 0.000 2.294 93 A HA 0.759 5.079 4.320 -0.001 0.000 0.330 93 A C -0.232 177.432 177.584 0.134 0.000 1.133 93 A CA -0.525 51.632 52.037 0.201 0.000 0.836 93 A CB 0.983 20.150 19.000 0.278 0.000 1.190 93 A HN 0.387 nan 8.150 nan 0.000 0.492 94 K N 0.588 121.046 120.400 0.098 0.000 2.509 94 K HA 0.533 4.852 4.320 -0.001 0.000 0.266 94 K C -3.073 173.557 176.600 0.050 0.000 0.987 94 K CA -2.017 54.310 56.287 0.066 0.000 0.868 94 K CB 2.027 34.554 32.500 0.046 0.000 1.421 94 K HN 0.500 nan 8.250 nan 0.000 0.444 95 P HA -0.012 nan 4.420 nan 0.000 0.269 95 P C 0.291 177.607 177.300 0.026 0.000 1.209 95 P CA 0.274 63.401 63.100 0.045 0.000 0.776 95 P CB 0.458 32.186 31.700 0.045 0.000 0.876 96 E N 2.592 122.809 120.200 0.027 0.000 2.171 96 E HA -0.301 4.049 4.350 -0.001 0.000 0.197 96 E C 1.033 177.703 176.600 0.116 0.000 0.997 96 E CA 2.068 58.489 56.400 0.035 0.000 0.810 96 E CB -1.125 28.579 29.700 0.007 0.000 0.738 96 E HN 0.569 nan 8.360 nan 0.000 0.467 97 N N 1.082 119.825 118.700 0.073 0.000 2.512 97 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 97 N C 0.109 175.650 175.510 0.053 0.000 1.073 97 N CA 0.688 53.778 53.050 0.067 0.000 0.911 97 N CB 0.088 38.602 38.487 0.045 0.000 0.964 97 N HN 0.179 nan 8.380 nan 0.000 0.447 98 S N 0.340 116.061 115.700 0.035 0.000 2.578 98 S HA 0.419 4.889 4.470 -0.001 0.000 0.283 98 S C -2.587 172.013 174.600 -0.001 0.000 1.195 98 S CA -1.746 56.465 58.200 0.019 0.000 1.050 98 S CB 1.428 64.639 63.200 0.018 0.000 1.012 98 S HN -0.024 nan 8.310 nan 0.000 0.511 99 P HA 0.049 nan 4.420 nan 0.000 0.266 99 P C 1.392 178.678 177.300 -0.023 0.000 1.195 99 P CA -0.447 62.648 63.100 -0.008 0.000 0.768 99 P CB 0.578 32.281 31.700 0.005 0.000 0.838 100 V N 1.957 121.845 119.914 -0.044 0.000 2.295 100 V HA -0.111 4.008 4.120 -0.001 0.000 0.246 100 V C 2.591 178.685 176.094 0.001 0.000 1.049 100 V CA 2.029 64.307 62.300 -0.036 0.000 1.024 100 V CB -2.381 29.410 31.823 -0.054 0.000 0.648 100 V HN 0.630 nan 8.190 nan 0.000 0.447 101 G N -0.847 107.956 108.800 0.003 0.000 2.564 101 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 101 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 101 G C 1.470 176.378 174.900 0.013 0.000 1.120 101 G CA 0.925 46.032 45.100 0.012 0.000 0.752 101 G HN 0.634 nan 8.290 nan 0.000 0.558 102 Q N 0.029 119.838 119.800 0.014 0.000 1.990 102 Q HA 0.048 4.387 4.340 -0.001 0.000 0.200 102 Q C 1.845 177.861 176.000 0.026 0.000 0.980 102 Q CA 0.936 56.749 55.803 0.017 0.000 0.832 102 Q CB -0.342 28.407 28.738 0.018 0.000 0.897 102 Q HN 0.405 nan 8.270 nan 0.000 0.427 106 Q N 1.466 121.247 119.800 -0.032 0.000 2.119 106 Q HA 0.053 4.392 4.340 -0.001 0.000 0.201 106 Q C 1.705 177.698 176.000 -0.012 0.000 0.972 106 Q CA 2.142 57.903 55.803 -0.070 0.000 0.847 106 Q CB -0.108 28.633 28.738 0.005 0.000 0.903 106 Q HN 0.383 nan 8.270 nan 0.000 0.433 107 A N 0.329 123.225 122.820 0.127 0.000 1.929 107 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 107 A C 1.971 179.671 177.584 0.193 0.000 1.176 107 A CA 1.442 53.627 52.037 0.247 0.000 0.628 107 A CB -0.358 18.773 19.000 0.218 0.000 0.816 107 A HN 0.369 nan 8.150 nan 0.000 0.444 108 K N -0.587 119.869 120.400 0.093 0.000 2.097 108 K HA -0.169 4.150 4.320 -0.001 0.000 0.206 108 K C 1.638 178.297 176.600 0.098 0.000 1.049 108 K CA 1.539 57.892 56.287 0.111 0.000 0.933 108 K CB -0.204 32.232 32.500 -0.106 0.000 0.717 108 K HN 0.505 nan 8.250 nan 0.000 0.442 109 D N -0.461 119.933 120.400 -0.011 0.000 2.178 109 D HA -0.148 4.492 4.640 -0.001 0.000 0.202 109 D C 1.413 177.696 176.300 -0.027 0.000 0.974 109 D CA 1.099 55.058 54.000 -0.068 0.000 0.841 109 D CB 0.132 40.815 40.800 -0.195 0.000 0.953 109 D HN 0.162 nan 8.370 nan 0.000 0.478 110 Y N 0.211 120.556 120.300 0.074 0.000 2.337 110 Y HA 0.160 4.709 4.550 -0.001 0.000 0.293 110 Y C 2.263 178.159 175.900 -0.007 0.000 1.123 110 Y CA 0.745 58.880 58.100 0.057 0.000 1.201 110 Y CB -0.704 37.806 38.460 0.084 0.000 1.011 110 Y HN -0.016 nan 8.280 nan 0.000 0.545 111 A N 0.229 123.148 122.820 0.165 0.000 1.877 111 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 111 A C 2.067 179.595 177.584 -0.093 0.000 1.186 111 A CA 1.905 53.953 52.037 0.018 0.000 0.620 111 A CB -0.659 18.367 19.000 0.044 0.000 0.822 111 A HN 0.467 nan 8.150 nan 0.000 0.443 112 E N -0.358 119.806 120.200 -0.059 0.000 2.077 112 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 112 E C 1.843 178.485 176.600 0.069 0.000 0.989 112 E CA 1.297 57.670 56.400 -0.045 0.000 0.800 112 E CB -0.263 29.454 29.700 0.027 0.000 0.746 112 E HN 0.691 nan 8.360 nan 0.000 0.452 113 I N 0.506 121.147 120.570 0.118 0.000 2.315 113 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 113 I C 1.791 178.053 176.117 0.242 0.000 1.117 113 I CA 0.924 62.357 61.300 0.221 0.000 1.404 113 I CB 0.043 38.179 38.000 0.226 0.000 1.071 113 I HN 0.097 nan 8.210 nan 0.000 0.419 114 L N 0.342 121.602 121.223 0.062 0.000 2.591 114 L HA 0.231 4.570 4.340 -0.001 0.000 0.228 114 L C 1.315 178.192 176.870 0.010 0.000 1.133 114 L CA 0.296 55.148 54.840 0.020 0.000 0.880 114 L CB -0.343 41.622 42.059 -0.157 0.000 1.033 114 L HN 0.430 nan 8.230 nan 0.000 0.450 115 G N 1.006 109.804 108.800 -0.004 0.000 2.221 115 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.265 115 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.265 115 G C 0.008 174.820 174.900 -0.147 0.000 1.041 115 G CA 0.015 45.068 45.100 -0.078 0.000 0.807 115 G HN 0.253 nan 8.290 nan 0.000 0.502 116 L N -1.655 119.462 121.223 -0.177 0.000 2.352 116 L HA 0.669 5.009 4.340 -0.001 0.000 0.269 116 L C 1.213 177.872 176.870 -0.350 0.000 1.034 116 L CA -1.066 53.667 54.840 -0.179 0.000 0.806 116 L CB 1.458 43.474 42.059 -0.072 0.000 1.244 116 L HN -0.045 nan 8.230 nan 0.000 0.447 117 K N 0.596 120.778 120.400 -0.362 0.000 2.358 117 K HA 0.315 4.635 4.320 -0.001 0.000 0.197 117 K C -1.087 175.060 176.600 -0.755 0.000 1.025 117 K CA 0.295 56.217 56.287 -0.608 0.000 1.104 117 K CB 0.232 32.267 32.500 -0.776 0.000 0.855 117 K HN 0.239 nan 8.250 nan 0.000 0.531 118 F N -0.017 120.052 119.950 0.199 0.000 2.539 118 F HA 0.640 5.166 4.527 -0.001 0.000 0.318 118 F C -0.362 175.468 175.800 0.049 0.000 1.135 118 F CA -1.489 56.602 58.000 0.151 0.000 0.915 118 F CB 1.888 41.017 39.000 0.216 0.000 1.176 118 F HN -0.266 nan 8.300 nan 0.000 0.440 119 A N 2.863 125.685 122.820 0.004 0.000 2.393 119 A HA 0.877 5.197 4.320 -0.001 0.000 0.306 119 A C -2.089 175.240 177.584 -0.424 0.000 1.050 119 A CA -0.638 51.386 52.037 -0.023 0.000 0.724 119 A CB 0.974 20.119 19.000 0.242 0.000 1.248 119 A HN 0.659 nan 8.150 nan 0.000 0.424 120 Y N 0.270 120.717 120.300 0.245 0.000 2.477 120 Y HA 0.684 5.233 4.550 -0.001 0.000 0.347 120 Y C 0.490 176.504 175.900 0.189 0.000 0.981 120 Y CA -0.536 57.697 58.100 0.222 0.000 1.033 120 Y CB 2.636 41.275 38.460 0.299 0.000 1.245 120 Y HN 0.616 nan 8.280 nan 0.000 0.455 121 S N 1.490 117.355 115.700 0.276 0.000 2.502 121 S HA 0.766 5.236 4.470 -0.001 0.000 0.304 121 S C -0.909 173.782 174.600 0.152 0.000 1.097 121 S CA -0.279 58.036 58.200 0.190 0.000 1.045 121 S CB 1.312 64.584 63.200 0.120 0.000 1.019 121 S HN 0.753 nan 8.310 nan 0.000 0.481 122 T N 2.199 116.832 114.554 0.132 0.000 2.894 122 T HA 0.495 4.845 4.350 -0.001 0.000 0.309 122 T C -0.864 173.840 174.700 0.008 0.000 1.208 122 T CA -0.684 61.450 62.100 0.057 0.000 1.016 122 T CB 0.934 69.885 68.868 0.138 0.000 1.192 122 T HN 0.709 nan 8.240 nan 0.000 0.491 123 N N 1.471 120.099 118.700 -0.119 0.000 2.291 123 N HA 0.356 5.096 4.740 -0.001 0.000 0.244 123 N C 1.224 176.586 175.510 -0.246 0.000 1.216 123 N CA 0.503 53.452 53.050 -0.169 0.000 0.879 123 N CB 0.514 38.846 38.487 -0.258 0.000 1.167 123 N HN 1.137 nan 8.380 nan 0.000 0.515 124 G N 1.855 110.564 108.800 -0.152 0.000 4.165 124 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.211 124 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.211 124 G C 0.929 175.717 174.900 -0.188 0.000 1.469 124 G CA 0.356 45.358 45.100 -0.165 0.000 0.964 124 G HN 0.601 nan 8.290 nan 0.000 0.613 125 H N 1.737 120.599 119.070 -0.348 0.000 2.482 125 H HA 0.378 4.933 4.556 -0.001 0.000 0.286 125 H C 0.858 176.133 175.328 -0.087 0.000 1.017 125 H CA 1.243 57.188 56.048 -0.172 0.000 1.322 125 H CB 0.336 29.991 29.762 -0.178 0.000 1.426 125 H HN 0.578 nan 8.280 nan 0.000 0.546 126 E N 0.789 120.779 120.200 -0.351 0.000 2.221 126 E HA 0.658 5.007 4.350 -0.001 0.000 0.268 126 E C -0.806 175.679 176.600 -0.193 0.000 0.933 126 E CA -0.783 55.489 56.400 -0.213 0.000 0.809 126 E CB 2.812 32.380 29.700 -0.220 0.000 1.190 126 E HN 0.132 nan 8.360 nan 0.000 0.406 127 I N 2.508 122.978 120.570 -0.166 0.000 2.512 127 I HA 0.282 4.452 4.170 -0.001 0.000 0.287 127 I C -1.102 174.984 176.117 -0.052 0.000 1.069 127 I CA -0.520 60.670 61.300 -0.182 0.000 1.056 127 I CB 1.408 39.136 38.000 -0.454 0.000 1.229 127 I HN 0.262 nan 8.210 nan 0.000 0.429 128 L N 6.232 127.477 121.223 0.037 0.000 2.313 128 L HA 0.519 4.858 4.340 -0.001 0.000 0.283 128 L C -0.467 176.484 176.870 0.134 0.000 1.013 128 L CA -0.293 54.589 54.840 0.069 0.000 0.816 128 L CB 1.854 43.945 42.059 0.054 0.000 1.236 128 L HN 0.674 nan 8.230 nan 0.000 0.419 129 E N 4.228 124.489 120.200 0.103 0.000 2.183 129 E HA 0.292 4.642 4.350 -0.001 0.000 0.271 129 E C -1.926 174.662 176.600 -0.020 0.000 0.919 129 E CA -0.667 55.734 56.400 0.001 0.000 0.781 129 E CB 2.068 31.837 29.700 0.115 0.000 1.140 129 E HN 0.422 nan 8.360 nan 0.000 0.402 130 F N 4.247 124.078 119.950 -0.198 0.000 2.427 130 F HA 0.289 4.816 4.527 -0.001 0.000 0.348 130 F C -0.922 174.774 175.800 -0.172 0.000 1.125 130 F CA -0.845 57.041 58.000 -0.190 0.000 0.989 130 F CB 1.280 40.131 39.000 -0.248 0.000 1.165 130 F HN 0.323 nan 8.300 nan 0.000 0.442 131 D N 5.231 125.180 120.400 -0.752 0.000 2.392 131 D HA 0.103 4.742 4.640 -0.001 0.000 0.228 131 D C 0.360 176.299 176.300 -0.602 0.000 1.074 131 D CA -0.142 53.649 54.000 -0.347 0.000 0.838 131 D CB 0.732 41.495 40.800 -0.063 0.000 1.067 131 D HN 0.570 nan 8.370 nan 0.000 0.511 132 Y N 1.399 121.506 120.300 -0.322 0.000 2.421 132 Y HA -0.166 4.384 4.550 -0.001 0.000 0.292 132 Y C 2.642 178.449 175.900 -0.154 0.000 1.136 132 Y CA 1.518 59.535 58.100 -0.139 0.000 1.255 132 Y CB -0.237 38.198 38.460 -0.042 0.000 0.991 132 Y HN 0.478 nan 8.280 nan 0.000 0.552 133 T N -4.194 110.327 114.554 -0.055 0.000 2.995 133 T HA -0.105 4.245 4.350 -0.001 0.000 0.269 133 T C 1.617 176.306 174.700 -0.018 0.000 1.091 133 T CA 1.493 63.589 62.100 -0.008 0.000 1.128 133 T CB -0.510 68.388 68.868 0.050 0.000 0.891 133 T HN 0.429 nan 8.240 nan 0.000 0.492 134 T N -3.670 110.833 114.554 -0.084 0.000 2.954 134 T HA 0.505 4.855 4.350 -0.001 0.000 0.252 134 T C 1.907 176.511 174.700 -0.160 0.000 0.983 134 T CA 0.684 62.730 62.100 -0.091 0.000 0.941 134 T CB -0.108 68.715 68.868 -0.075 0.000 1.141 134 T HN 0.900 nan 8.240 nan 0.000 0.500 135 G N 1.468 110.070 108.800 -0.330 0.000 2.162 135 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.260 135 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.260 135 G C -0.250 174.396 174.900 -0.423 0.000 0.976 135 G CA 0.216 45.089 45.100 -0.379 0.000 0.655 135 G HN 0.679 nan 8.290 nan 0.000 0.533 136 E N 0.326 120.274 120.200 -0.420 0.000 2.283 136 E HA 0.499 4.848 4.350 -0.001 0.000 0.278 136 E C -0.072 176.334 176.600 -0.324 0.000 1.027 136 E CA -0.368 55.874 56.400 -0.262 0.000 0.843 136 E CB 1.203 30.814 29.700 -0.148 0.000 1.062 136 E HN 0.386 nan 8.360 nan 0.000 0.401 137 E N 3.280 123.413 120.200 -0.112 0.000 2.165 137 E HA 0.146 4.495 4.350 -0.001 0.000 0.266 137 E C -1.278 175.325 176.600 0.004 0.000 0.889 137 E CA -0.427 55.971 56.400 -0.003 0.000 0.756 137 E CB 0.802 30.602 29.700 0.167 0.000 1.131 137 E HN 0.488 nan 8.360 nan 0.000 0.411 138 Q N 3.497 123.301 119.800 0.008 0.000 2.522 138 Q HA 0.373 4.712 4.340 -0.001 0.000 0.285 138 Q C -1.333 174.681 176.000 0.023 0.000 0.982 138 Q CA -0.959 54.852 55.803 0.013 0.000 0.805 138 Q CB 1.010 29.750 28.738 0.002 0.000 1.457 138 Q HN 0.433 nan 8.270 nan 0.000 0.394 139 L N 1.689 122.920 121.223 0.013 0.000 2.371 139 L HA 0.453 4.792 4.340 -0.001 0.000 0.272 139 L C -0.382 176.486 176.870 -0.003 0.000 1.124 139 L CA -0.367 54.474 54.840 0.002 0.000 0.816 139 L CB 0.474 42.530 42.059 -0.005 0.000 1.129 139 L HN 0.451 nan 8.230 nan 0.000 0.448 140 L N 1.261 122.469 121.223 -0.025 0.000 2.319 140 L HA 0.390 4.729 4.340 -0.001 0.000 0.267 140 L C 0.975 177.804 176.870 -0.068 0.000 1.011 140 L CA -0.491 54.328 54.840 -0.035 0.000 0.818 140 L CB 2.004 44.042 42.059 -0.035 0.000 1.316 140 L HN 0.699 nan 8.230 nan 0.000 0.432 141 S N 0.384 116.056 115.700 -0.046 0.000 2.562 141 S HA 0.143 4.613 4.470 -0.001 0.000 0.221 141 S C 0.382 174.944 174.600 -0.062 0.000 0.975 141 S CA -0.255 57.922 58.200 -0.039 0.000 0.918 141 S CB -0.074 63.120 63.200 -0.011 0.000 0.772 141 S HN 0.796 nan 8.310 nan 0.000 0.531 142 R N -1.762 118.673 120.500 -0.108 0.000 2.829 142 R HA 0.466 4.805 4.340 -0.001 0.000 0.283 142 R C -1.772 174.419 176.300 -0.181 0.000 1.013 142 R CA -0.992 55.028 56.100 -0.133 0.000 0.848 142 R CB -0.324 29.974 30.300 -0.004 0.000 1.291 142 R HN 0.013 nan 8.270 nan 0.000 0.496 143 F N 1.107 121.039 119.950 -0.030 0.000 2.471 143 F HA 0.366 4.893 4.527 -0.001 0.000 0.353 143 F C -1.675 174.142 175.800 0.030 0.000 1.113 143 F CA -1.581 56.363 58.000 -0.094 0.000 1.262 143 F CB 0.449 39.366 39.000 -0.139 0.000 1.146 143 F HN 0.318 nan 8.300 nan 0.000 0.578 144 P HA 0.117 nan 4.420 nan 0.000 0.272 144 P C -0.471 177.032 177.300 0.339 0.000 1.240 144 P CA -0.314 62.917 63.100 0.220 0.000 0.791 144 P CB 0.501 32.311 31.700 0.183 0.000 0.978 145 T N -1.698 112.918 114.554 0.104 0.000 2.918 145 T HA 0.311 4.660 4.350 -0.001 0.000 0.283 145 T C -2.017 172.475 174.700 -0.348 0.000 1.001 145 T CA -1.978 60.020 62.100 -0.170 0.000 1.041 145 T CB 0.559 69.326 68.868 -0.167 0.000 1.028 145 T HN 0.121 nan 8.240 nan 0.000 0.511 146 P HA -0.154 nan 4.420 nan 0.000 0.216 146 P C 1.342 178.600 177.300 -0.070 0.000 1.153 146 P CA 1.063 63.699 63.100 -0.773 0.000 0.858 146 P CB 0.043 31.269 31.700 -0.791 0.000 0.789 147 D N -0.493 119.877 120.400 -0.050 0.000 2.117 147 D HA -0.180 4.460 4.640 -0.001 0.000 0.197 147 D C 1.694 178.007 176.300 0.022 0.000 0.987 147 D CA 1.150 55.184 54.000 0.056 0.000 0.829 147 D CB -0.027 40.787 40.800 0.023 0.000 0.961 147 D HN 0.229 nan 8.370 nan 0.000 0.460 148 E N 0.287 120.477 120.200 -0.016 0.000 2.051 148 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 148 E C 2.499 179.072 176.600 -0.046 0.000 0.991 148 E CA 0.607 56.997 56.400 -0.016 0.000 0.799 148 E CB -0.051 29.645 29.700 -0.007 0.000 0.748 148 E HN 0.351 nan 8.360 nan 0.000 0.449 149 L N 0.031 121.217 121.223 -0.061 0.000 2.046 149 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 149 L C 2.506 179.363 176.870 -0.022 0.000 1.077 149 L CA 0.932 55.632 54.840 -0.233 0.000 0.747 149 L CB -0.409 41.538 42.059 -0.187 0.000 0.896 149 L HN 0.145 nan 8.230 nan 0.000 0.432 150 F N 1.082 120.923 119.950 -0.182 0.000 2.234 150 F HA -0.164 4.362 4.527 -0.001 0.000 0.299 150 F C 2.485 178.191 175.800 -0.158 0.000 1.087 150 F CA 1.379 59.202 58.000 -0.295 0.000 1.340 150 F CB -0.142 38.304 39.000 -0.923 0.000 1.031 150 F HN -0.108 nan 8.300 nan 0.000 0.500 151 K N 0.073 120.407 120.400 -0.109 0.000 2.155 151 K HA -0.075 4.245 4.320 -0.001 0.000 0.203 151 K C 2.219 178.763 176.600 -0.093 0.000 1.052 151 K CA 0.893 57.096 56.287 -0.140 0.000 0.948 151 K CB -0.241 32.229 32.500 -0.049 0.000 0.728 151 K HN 0.332 nan 8.250 nan 0.000 0.448 152 R N 0.685 121.179 120.500 -0.010 0.000 2.073 152 R HA 0.016 4.356 4.340 -0.001 0.000 0.229 152 R C 2.359 178.760 176.300 0.168 0.000 1.120 152 R CA 0.529 56.691 56.100 0.104 0.000 0.967 152 R CB -0.264 30.151 30.300 0.190 0.000 0.862 152 R HN 0.115 nan 8.270 nan 0.000 0.436 153 L N 0.686 122.031 121.223 0.202 0.000 2.017 153 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 153 L C 2.004 178.854 176.870 -0.033 0.000 1.073 153 L CA 1.812 56.761 54.840 0.181 0.000 0.745 153 L CB -0.566 41.669 42.059 0.294 0.000 0.894 153 L HN 0.344 nan 8.230 nan 0.000 0.432 154 C N -0.208 118.943 119.300 -0.249 0.000 2.435 154 C HA -0.022 4.438 4.460 -0.001 0.000 0.279 154 C C 2.816 177.729 174.990 -0.129 0.000 1.321 154 C CA 0.470 59.324 59.018 -0.274 0.000 1.752 154 C CB -1.602 25.837 27.740 -0.501 0.000 1.959 154 C HN 0.727 nan 8.230 nan 0.000 0.500 155 G N 0.308 109.054 108.800 -0.090 0.000 2.404 155 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.215 155 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.215 155 G C 1.248 176.143 174.900 -0.008 0.000 1.174 155 G CA 1.419 46.495 45.100 -0.039 0.000 0.780 155 G HN 0.570 nan 8.290 nan 0.000 0.537 156 D N -0.330 120.078 120.400 0.013 0.000 2.183 156 D HA -0.039 4.601 4.640 -0.001 0.000 0.203 156 D C 2.196 178.507 176.300 0.019 0.000 0.969 156 D CA 0.767 54.781 54.000 0.025 0.000 0.842 156 D CB 0.037 40.862 40.800 0.042 0.000 0.957 156 D HN 0.217 nan 8.370 nan 0.000 0.484 157 E N -0.470 119.736 120.200 0.010 0.000 2.442 157 E HA 0.219 4.568 4.350 -0.001 0.000 0.195 157 E C 0.677 177.282 176.600 0.009 0.000 1.030 157 E CA 0.579 56.988 56.400 0.015 0.000 0.869 157 E CB 0.178 29.889 29.700 0.019 0.000 0.857 157 E HN 0.261 nan 8.360 nan 0.000 0.505 158 G N 1.363 110.159 108.800 -0.006 0.000 2.392 158 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.290 158 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.290 158 G C -0.151 174.746 174.900 -0.004 0.000 1.032 158 G CA 0.383 45.482 45.100 -0.002 0.000 1.269 158 G HN 0.220 nan 8.290 nan 0.000 0.511 159 I N 0.889 121.439 120.570 -0.033 0.000 2.410 159 I HA 0.273 4.442 4.170 -0.001 0.000 0.286 159 I C 0.765 176.861 176.117 -0.036 0.000 1.009 159 I CA -0.945 60.337 61.300 -0.029 0.000 1.111 159 I CB 1.386 39.355 38.000 -0.053 0.000 1.262 159 I HN 0.160 nan 8.210 nan 0.000 0.443 160 K N 4.507 124.905 120.400 -0.004 0.000 2.336 160 K HA 0.049 4.369 4.320 -0.001 0.000 0.262 160 K C 0.282 176.881 176.600 -0.001 0.000 0.992 160 K CA -0.523 55.764 56.287 0.000 0.000 0.927 160 K CB 0.822 33.334 32.500 0.019 0.000 0.956 160 K HN 0.466 nan 8.250 nan 0.000 0.495 161 D N 2.182 122.582 120.400 0.001 0.000 2.144 161 D HA -0.141 4.499 4.640 -0.001 0.000 0.199 161 D C 1.338 177.655 176.300 0.027 0.000 0.984 161 D CA 1.463 55.470 54.000 0.011 0.000 0.834 161 D CB 0.091 40.898 40.800 0.012 0.000 0.955 161 D HN 0.490 nan 8.370 nan 0.000 0.465 162 E N 0.668 120.884 120.200 0.028 0.000 2.204 162 E HA -0.108 4.241 4.350 -0.001 0.000 0.195 162 E C 1.090 177.722 176.600 0.053 0.000 0.990 162 E CA 0.800 57.222 56.400 0.036 0.000 0.821 162 E CB -0.024 29.693 29.700 0.028 0.000 0.750 162 E HN 0.299 nan 8.360 nan 0.000 0.477 163 D N -0.459 119.973 120.400 0.053 0.000 2.349 163 D HA 0.073 4.713 4.640 -0.001 0.000 0.214 163 D C 1.489 177.823 176.300 0.056 0.000 1.063 163 D CA 0.032 54.072 54.000 0.067 0.000 0.847 163 D CB 0.263 41.102 40.800 0.066 0.000 0.933 163 D HN 0.204 nan 8.370 nan 0.000 0.513 164 L N 0.512 121.770 121.223 0.057 0.000 2.131 164 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 164 L C 1.350 178.267 176.870 0.079 0.000 1.092 164 L CA 1.347 56.242 54.840 0.092 0.000 0.759 164 L CB -0.253 41.882 42.059 0.127 0.000 0.903 164 L HN -0.100 nan 8.230 nan 0.000 0.435 165 D N -1.449 118.984 120.400 0.054 0.000 2.317 165 D HA -0.107 4.533 4.640 -0.001 0.000 0.211 165 D C 1.936 178.251 176.300 0.026 0.000 0.966 165 D CA 0.935 54.952 54.000 0.029 0.000 0.876 165 D CB 0.121 40.934 40.800 0.021 0.000 0.927 165 D HN 0.198 nan 8.370 nan 0.000 0.519 166 T N 0.453 115.034 114.554 0.045 0.000 2.894 166 T HA -0.019 4.331 4.350 -0.001 0.000 0.258 166 T C 1.783 176.500 174.700 0.028 0.000 1.043 166 T CA 0.091 62.216 62.100 0.041 0.000 1.141 166 T CB -0.204 68.702 68.868 0.063 0.000 0.873 166 T HN 0.030 nan 8.240 nan 0.000 0.449 167 L N 0.911 122.157 121.223 0.038 0.000 2.127 167 L HA 0.051 4.390 4.340 -0.001 0.000 0.211 167 L C 1.682 178.580 176.870 0.047 0.000 1.089 167 L CA 1.672 56.551 54.840 0.065 0.000 0.757 167 L CB -0.360 41.747 42.059 0.079 0.000 0.899 167 L HN 0.250 nan 8.230 nan 0.000 0.434 168 L N -1.542 119.670 121.223 -0.018 0.000 2.640 168 L HA 0.174 4.514 4.340 -0.001 0.000 0.230 168 L C 1.079 177.928 176.870 -0.035 0.000 1.123 168 L CA -0.237 54.555 54.840 -0.079 0.000 0.900 168 L CB -0.184 41.782 42.059 -0.155 0.000 1.146 168 L HN 0.081 nan 8.230 nan 0.000 0.484 169 S N 1.793 117.493 115.700 -0.001 0.000 2.596 169 S HA 0.077 4.547 4.470 -0.001 0.000 0.298 169 S C -2.093 172.524 174.600 0.028 0.000 1.255 169 S CA -1.026 57.178 58.200 0.007 0.000 1.083 169 S CB 0.256 63.463 63.200 0.011 0.000 0.837 169 S HN -0.025 nan 8.310 nan 0.000 0.499 170 P HA 0.072 nan 4.420 nan 0.000 0.267 170 P C -0.482 176.955 177.300 0.228 0.000 1.200 170 P CA -0.068 63.073 63.100 0.069 0.000 0.772 170 P CB 0.222 31.987 31.700 0.108 0.000 0.855 171 Y N 0.700 121.052 120.300 0.087 0.000 2.220 171 Y HA 0.121 4.671 4.550 -0.001 0.000 0.347 171 Y C 1.339 177.168 175.900 -0.119 0.000 1.311 171 Y CA 0.103 58.165 58.100 -0.063 0.000 1.593 171 Y CB -0.145 38.070 38.460 -0.408 0.000 1.419 171 Y HN 0.406 nan 8.280 nan 0.000 0.614 172 H N 2.141 121.047 119.070 -0.273 0.000 2.556 172 H HA 0.249 4.805 4.556 -0.001 0.000 0.310 172 H C -0.874 174.260 175.328 -0.324 0.000 1.057 172 H CA -0.300 55.463 56.048 -0.475 0.000 1.264 172 H CB 0.038 29.172 29.762 -1.047 0.000 1.404 172 H HN 0.601 nan 8.280 nan 0.000 0.462 173 H N 3.070 121.943 119.070 -0.329 0.000 2.615 173 H HA 0.276 4.831 4.556 -0.001 0.000 0.346 173 H C 0.663 175.873 175.328 -0.197 0.000 1.200 173 H CA 0.020 55.969 56.048 -0.164 0.000 1.264 173 H CB 1.906 31.635 29.762 -0.055 0.000 1.699 173 H HN 0.535 nan 8.280 nan 0.000 0.567 180 R N 0.351 120.641 120.500 -0.350 0.000 2.861 180 R HA 0.051 4.391 4.340 -0.001 0.000 0.268 180 R C 1.561 177.680 176.300 -0.301 0.000 1.027 180 R CA 0.178 56.069 56.100 -0.349 0.000 1.163 180 R CB 0.024 29.850 30.300 -0.789 0.000 1.060 180 R HN 0.660 nan 8.270 nan 0.000 0.483 181 Y N 0.757 121.032 120.300 -0.043 0.000 2.151 181 Y HA -0.346 4.203 4.550 -0.001 0.000 0.284 181 Y C 1.906 177.775 175.900 -0.052 0.000 1.166 181 Y CA 1.508 59.641 58.100 0.055 0.000 1.163 181 Y CB -0.816 37.784 38.460 0.233 0.000 0.974 181 Y HN 0.734 nan 8.280 nan 0.000 0.511 182 Y N 0.074 119.773 120.300 -1.002 0.000 2.373 182 Y HA 0.041 4.590 4.550 -0.001 0.000 0.293 182 Y C 2.054 177.696 175.900 -0.430 0.000 1.129 182 Y CA 0.845 58.493 58.100 -0.753 0.000 1.226 182 Y CB -1.111 36.726 38.460 -1.037 0.000 1.000 182 Y HN 0.207 nan 8.280 nan 0.000 0.549 183 Q N 0.595 119.853 119.800 -0.903 0.000 2.167 183 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 183 Q C 2.220 178.024 176.000 -0.328 0.000 0.970 183 Q CA 1.673 57.154 55.803 -0.536 0.000 0.855 183 Q CB -0.180 28.181 28.738 -0.628 0.000 0.911 183 Q HN 0.684 nan 8.270 nan 0.000 0.438 184 Q N -0.032 119.595 119.800 -0.289 0.000 2.119 184 Q HA -0.146 4.194 4.340 -0.001 0.000 0.201 184 Q C 2.053 177.973 176.000 -0.134 0.000 0.972 184 Q CA 0.780 56.519 55.803 -0.106 0.000 0.847 184 Q CB 0.071 28.828 28.738 0.031 0.000 0.903 184 Q HN 0.355 nan 8.270 nan 0.000 0.433 185 I N 0.901 121.310 120.570 -0.268 0.000 2.142 185 I HA -0.257 3.913 4.170 -0.001 0.000 0.240 185 I C 2.417 178.304 176.117 -0.384 0.000 1.078 185 I CA 1.477 62.530 61.300 -0.412 0.000 1.343 185 I CB -1.729 35.758 38.000 -0.854 0.000 1.046 185 I HN 0.119 nan 8.210 nan 0.000 0.405 186 A N 1.360 123.959 122.820 -0.368 0.000 1.873 186 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 186 A C 2.415 179.976 177.584 -0.039 0.000 1.193 186 A CA 1.922 53.906 52.037 -0.089 0.000 0.629 186 A CB -1.006 18.040 19.000 0.077 0.000 0.826 186 A HN 0.394 nan 8.150 nan 0.000 0.447 187 I N -0.056 120.482 120.570 -0.053 0.000 2.163 187 I HA -0.309 3.861 4.170 -0.001 0.000 0.243 187 I C 2.170 178.311 176.117 0.041 0.000 1.085 187 I CA 1.666 62.966 61.300 -0.000 0.000 1.347 187 I CB -0.555 37.438 38.000 -0.011 0.000 1.044 187 I HN 0.305 nan 8.210 nan 0.000 0.408 188 N N 0.780 119.505 118.700 0.042 0.000 2.188 188 N HA -0.117 4.623 4.740 -0.001 0.000 0.184 188 N C 1.842 177.373 175.510 0.035 0.000 1.018 188 N CA 1.118 54.205 53.050 0.062 0.000 0.858 188 N CB -0.271 38.220 38.487 0.007 0.000 0.989 188 N HN 0.310 nan 8.380 nan 0.000 0.426 189 R N 0.216 120.715 120.500 -0.003 0.000 2.148 189 R HA 0.136 4.475 4.340 -0.001 0.000 0.223 189 R C 1.936 178.254 176.300 0.029 0.000 1.088 189 R CA 0.906 57.016 56.100 0.017 0.000 0.985 189 R CB -0.140 30.171 30.300 0.018 0.000 0.880 189 R HN 0.190 nan 8.270 nan 0.000 0.451 190 A N 0.807 123.639 122.820 0.021 0.000 1.854 190 A HA -0.072 4.248 4.320 -0.001 0.000 0.214 190 A C 2.312 179.868 177.584 -0.048 0.000 1.192 190 A CA 1.024 53.066 52.037 0.008 0.000 0.611 190 A CB -0.507 18.500 19.000 0.013 0.000 0.832 190 A HN 0.073 nan 8.150 nan 0.000 0.442 191 V N 0.232 120.113 119.914 -0.055 0.000 2.392 191 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 191 V C 2.711 178.738 176.094 -0.112 0.000 1.059 191 V CA 2.355 64.580 62.300 -0.126 0.000 1.051 191 V CB -0.848 30.949 31.823 -0.044 0.000 0.658 191 V HN 0.736 nan 8.190 nan 0.000 0.455 192 Q N -0.203 119.585 119.800 -0.019 0.000 2.046 192 Q HA -0.189 4.150 4.340 -0.001 0.000 0.200 192 Q C 2.482 178.482 176.000 0.000 0.000 0.975 192 Q CA 2.050 57.860 55.803 0.012 0.000 0.836 192 Q CB -0.114 28.656 28.738 0.053 0.000 0.896 192 Q HN 0.638 nan 8.270 nan 0.000 0.428 193 S N -0.159 115.548 115.700 0.013 0.000 2.365 193 S HA -0.169 4.300 4.470 -0.001 0.000 0.225 193 S C 1.968 176.603 174.600 0.058 0.000 1.039 193 S CA 1.497 59.729 58.200 0.053 0.000 1.033 193 S CB -0.379 62.867 63.200 0.076 0.000 0.887 193 S HN 0.266 nan 8.310 nan 0.000 0.447 194 V N 2.192 122.058 119.914 -0.080 0.000 2.343 194 V HA -0.154 3.966 4.120 -0.001 0.000 0.247 194 V C 2.106 178.047 176.094 -0.255 0.000 1.051 194 V CA 1.502 63.610 62.300 -0.319 0.000 1.036 194 V CB -0.772 30.582 31.823 -0.782 0.000 0.654 194 V HN 0.446 nan 8.190 nan 0.000 0.451 195 L N -0.412 120.700 121.223 -0.186 0.000 2.275 195 L HA -0.185 4.154 4.340 -0.001 0.000 0.215 195 L C 2.361 179.266 176.870 0.058 0.000 1.119 195 L CA 1.309 56.115 54.840 -0.056 0.000 0.790 195 L CB -0.545 41.486 42.059 -0.047 0.000 0.919 195 L HN 0.432 nan 8.230 nan 0.000 0.443 196 Q N -0.180 119.668 119.800 0.080 0.000 2.403 196 Q HA 0.131 4.470 4.340 -0.001 0.000 0.203 196 Q C 1.235 177.338 176.000 0.172 0.000 0.932 196 Q CA 0.515 56.383 55.803 0.108 0.000 0.945 196 Q CB 0.550 29.339 28.738 0.086 0.000 1.045 196 Q HN 0.547 nan 8.270 nan 0.000 0.511 197 G N 1.851 110.830 108.800 0.297 0.000 2.132 197 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.228 197 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.228 197 G C -0.273 174.809 174.900 0.303 0.000 1.000 197 G CA -0.265 45.079 45.100 0.407 0.000 0.693 197 G HN 0.161 nan 8.290 nan 0.000 0.515 198 K N 0.340 120.948 120.400 0.347 0.000 2.250 198 K HA 0.341 4.661 4.320 -0.001 0.000 0.285 198 K C 1.201 177.936 176.600 0.225 0.000 1.097 198 K CA -0.330 56.081 56.287 0.205 0.000 0.913 198 K CB 0.503 33.108 32.500 0.175 0.000 1.179 198 K HN 0.210 nan 8.250 nan 0.000 0.462 199 K N 1.882 122.238 120.400 -0.073 0.000 2.551 199 K HA -0.012 4.307 4.320 -0.001 0.000 0.192 199 K C 0.011 176.608 176.600 -0.006 0.000 1.027 199 K CA 0.384 56.504 56.287 -0.278 0.000 1.059 199 K CB 0.175 32.406 32.500 -0.448 0.000 0.831 199 K HN 0.148 nan 8.250 nan 0.000 0.508 200 R N 0.239 120.798 120.500 0.098 0.000 2.772 200 R HA 0.177 4.517 4.340 -0.001 0.000 0.288 200 R C -1.762 174.681 176.300 0.238 0.000 1.365 200 R CA -0.045 56.160 56.100 0.174 0.000 1.023 200 R CB 1.071 31.361 30.300 -0.017 0.000 1.261 200 R HN -0.084 nan 8.270 nan 0.000 0.422 201 S N 3.009 118.876 115.700 0.279 0.000 2.536 201 S HA 0.653 5.123 4.470 -0.001 0.000 0.298 201 S C -1.545 173.108 174.600 0.088 0.000 1.083 201 S CA -0.770 57.539 58.200 0.182 0.000 0.995 201 S CB 2.039 65.320 63.200 0.136 0.000 1.058 201 S HN 0.386 nan 8.310 nan 0.000 0.488 202 L N 2.398 123.649 121.223 0.045 0.000 2.346 202 L HA 0.716 5.056 4.340 -0.001 0.000 0.274 202 L C -1.588 175.271 176.870 -0.018 0.000 1.007 202 L CA -0.580 54.207 54.840 -0.088 0.000 0.818 202 L CB 1.161 43.140 42.059 -0.133 0.000 1.284 202 L HN 0.708 nan 8.230 nan 0.000 0.424 203 I N 3.481 124.030 120.570 -0.036 0.000 2.499 203 I HA 0.466 4.635 4.170 -0.001 0.000 0.288 203 I C -0.303 175.850 176.117 0.060 0.000 1.048 203 I CA -0.306 61.033 61.300 0.066 0.000 1.062 203 I CB 2.138 40.197 38.000 0.100 0.000 1.238 203 I HN 0.553 nan 8.210 nan 0.000 0.426 207 T N 0.498 115.146 114.554 0.158 0.000 2.934 207 T HA 0.469 4.819 4.350 -0.001 0.000 0.306 207 T C 1.450 176.210 174.700 0.100 0.000 1.042 207 T CA 2.263 64.428 62.100 0.108 0.000 1.145 207 T CB -0.022 68.885 68.868 0.066 0.000 0.982 207 T HN 2.635 nan 8.240 nan 0.000 0.544 208 G N 3.070 111.926 108.800 0.094 0.000 2.132 208 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.234 208 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.234 208 G C 0.608 175.580 174.900 0.120 0.000 0.989 208 G CA 0.805 45.958 45.100 0.088 0.000 0.676 208 G HN 1.394 nan 8.290 nan 0.000 0.522 209 T N -2.787 111.857 114.554 0.150 0.000 3.054 209 T HA 0.506 4.856 4.350 -0.001 0.000 0.255 209 T C 1.770 176.579 174.700 0.182 0.000 1.035 209 T CA 1.182 63.405 62.100 0.204 0.000 0.941 209 T CB 0.931 69.956 68.868 0.262 0.000 1.026 209 T HN 2.113 nan 8.240 nan 0.000 0.533 210 G N 1.984 110.844 108.800 0.101 0.000 2.181 210 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.152 210 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.152 210 G C 0.568 175.495 174.900 0.045 0.000 1.026 210 G CA 0.017 45.134 45.100 0.028 0.000 0.699 210 G HN 0.461 nan 8.290 nan 0.000 0.497 211 K N -0.495 119.964 120.400 0.097 0.000 2.152 211 K HA -0.086 4.234 4.320 -0.001 0.000 0.206 211 K C 2.433 179.113 176.600 0.133 0.000 1.048 211 K CA 1.797 58.158 56.287 0.122 0.000 0.933 211 K CB -0.158 32.426 32.500 0.141 0.000 0.721 211 K HN 0.350 nan 8.250 nan 0.000 0.447 212 T N 0.920 115.544 114.554 0.116 0.000 2.904 212 T HA -0.058 4.291 4.350 -0.001 0.000 0.267 212 T C 2.004 176.705 174.700 0.002 0.000 1.059 212 T CA 0.762 62.929 62.100 0.112 0.000 1.137 212 T CB -0.039 68.878 68.868 0.081 0.000 0.879 212 T HN -0.047 nan 8.240 nan 0.000 0.467 213 V N 1.224 121.109 119.914 -0.050 0.000 2.343 213 V HA -0.138 3.981 4.120 -0.001 0.000 0.247 213 V C 2.607 178.673 176.094 -0.047 0.000 1.051 213 V CA 1.301 63.544 62.300 -0.096 0.000 1.036 213 V CB -0.590 31.140 31.823 -0.155 0.000 0.654 213 V HN 0.313 nan 8.190 nan 0.000 0.451 214 V N 0.199 120.093 119.914 -0.033 0.000 2.307 214 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 214 V C 2.723 178.852 176.094 0.058 0.000 1.045 214 V CA 1.947 64.236 62.300 -0.019 0.000 1.024 214 V CB -1.141 30.692 31.823 0.016 0.000 0.651 214 V HN 0.552 nan 8.190 nan 0.000 0.449 215 A N -0.222 122.682 122.820 0.140 0.000 1.892 215 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 215 A C 2.133 179.863 177.584 0.243 0.000 1.188 215 A CA 2.365 54.546 52.037 0.239 0.000 0.631 215 A CB -0.780 18.461 19.000 0.401 0.000 0.822 215 A HN 0.563 nan 8.150 nan 0.000 0.447 216 F N 0.493 120.436 119.950 -0.012 0.000 2.113 216 F HA -0.164 4.362 4.527 -0.001 0.000 0.297 216 F C 2.426 178.266 175.800 0.068 0.000 1.103 216 F CA 2.120 60.069 58.000 -0.086 0.000 1.248 216 F CB -0.270 38.389 39.000 -0.569 0.000 0.999 216 F HN 0.212 nan 8.300 nan 0.000 0.475 217 Q N 0.491 120.174 119.800 -0.195 0.000 2.224 217 Q HA -0.104 4.235 4.340 -0.001 0.000 0.203 217 Q C 2.496 178.483 176.000 -0.022 0.000 0.970 217 Q CA 1.523 57.184 55.803 -0.236 0.000 0.865 217 Q CB -0.300 28.281 28.738 -0.262 0.000 0.922 217 Q HN 0.546 nan 8.270 nan 0.000 0.445 218 I N 0.485 121.066 120.570 0.018 0.000 2.202 218 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 218 I C 2.214 178.384 176.117 0.088 0.000 1.091 218 I CA 0.919 62.248 61.300 0.049 0.000 1.368 218 I CB -0.243 37.781 38.000 0.040 0.000 1.058 218 I HN 0.057 nan 8.210 nan 0.000 0.410 219 S N 0.270 116.056 115.700 0.142 0.000 2.359 219 S HA -0.236 4.234 4.470 -0.001 0.000 0.224 219 S C 1.677 176.532 174.600 0.425 0.000 1.035 219 S CA 1.369 59.724 58.200 0.258 0.000 1.018 219 S CB -0.587 62.785 63.200 0.287 0.000 0.876 219 S HN 0.572 nan 8.310 nan 0.000 0.448 220 W N 2.644 123.980 121.300 0.059 0.000 2.355 220 W HA -0.131 4.529 4.660 -0.001 0.000 0.309 220 W C 1.911 178.505 176.519 0.125 0.000 1.206 220 W CA 1.431 58.763 57.345 -0.021 0.000 1.284 220 W CB -0.336 28.779 29.460 -0.574 0.000 1.145 220 W HN 0.285 nan 8.180 nan 0.000 0.502 221 K N 0.216 120.736 120.400 0.199 0.000 2.001 221 K HA -0.236 4.083 4.320 -0.001 0.000 0.214 221 K C 2.103 178.736 176.600 0.053 0.000 1.050 221 K CA 2.227 58.581 56.287 0.112 0.000 0.934 221 K CB -0.811 31.775 32.500 0.144 0.000 0.718 221 K HN 0.213 nan 8.250 nan 0.000 0.443 222 L N -0.949 120.328 121.223 0.090 0.000 2.093 222 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 222 L C 2.334 179.380 176.870 0.294 0.000 1.085 222 L CA 0.897 55.828 54.840 0.150 0.000 0.755 222 L CB -0.404 41.677 42.059 0.037 0.000 0.904 222 L HN 0.371 nan 8.230 nan 0.000 0.435 223 W N 1.315 122.665 121.300 0.084 0.000 2.381 223 W HA -0.239 4.420 4.660 -0.001 0.000 0.323 223 W C 2.961 179.421 176.519 -0.099 0.000 1.194 223 W CA 1.962 59.343 57.345 0.061 0.000 1.296 223 W CB -0.638 28.931 29.460 0.182 0.000 1.175 223 W HN 0.206 nan 8.180 nan 0.000 0.465 224 S N 0.510 115.992 115.700 -0.363 0.000 2.440 224 S HA -0.192 4.278 4.470 -0.001 0.000 0.240 224 S C 1.781 176.140 174.600 -0.402 0.000 1.014 224 S CA 1.327 59.115 58.200 -0.687 0.000 0.980 224 S CB -1.183 61.516 63.200 -0.836 0.000 0.775 224 S HN 0.372 nan 8.310 nan 0.000 0.499 225 A N 0.891 123.590 122.820 -0.201 0.000 2.238 225 A HA 0.286 4.605 4.320 -0.001 0.000 0.208 225 A C 0.888 178.447 177.584 -0.043 0.000 1.177 225 A CA -0.076 51.911 52.037 -0.083 0.000 0.804 225 A CB -0.287 18.720 19.000 0.010 0.000 0.823 225 A HN 0.263 nan 8.150 nan 0.000 0.482 226 R N -2.730 117.709 120.500 -0.101 0.000 3.651 226 R HA -0.189 4.150 4.340 -0.001 0.000 0.292 226 R C -0.422 175.880 176.300 0.004 0.000 1.161 226 R CA 0.978 57.032 56.100 -0.076 0.000 0.787 226 R CB -2.779 27.492 30.300 -0.047 0.000 1.249 226 R HN 0.768 nan 8.270 nan 0.000 0.476 227 W N 2.355 123.622 121.300 -0.056 0.000 2.184 227 W HA 0.424 5.084 4.660 -0.001 0.000 0.338 227 W C 0.481 176.982 176.519 -0.029 0.000 1.257 227 W CA 0.492 57.811 57.345 -0.043 0.000 1.243 227 W CB 0.561 29.990 29.460 -0.051 0.000 1.122 227 W HN 0.433 nan 8.180 nan 0.000 0.585 228 N N 1.469 119.080 118.700 -1.815 0.000 3.348 228 N HA 0.230 4.969 4.740 -0.001 0.000 0.233 228 N C 0.206 174.968 175.510 -1.247 0.000 1.440 228 N CA -1.005 50.991 53.050 -1.757 0.000 0.887 228 N CB 0.969 39.023 38.487 -0.722 0.000 1.410 228 N HN 0.447 nan 8.380 nan 0.000 0.502 229 R N -0.607 119.468 120.500 -0.709 0.000 2.091 229 R HA -0.128 4.211 4.340 -0.001 0.000 0.238 229 R C 1.627 177.862 176.300 -0.108 0.000 1.136 229 R CA 2.587 58.597 56.100 -0.149 0.000 0.959 229 R CB -0.656 29.662 30.300 0.030 0.000 0.856 229 R HN 0.852 nan 8.270 nan 0.000 0.437 230 T N -3.633 110.817 114.554 -0.172 0.000 3.014 230 T HA 0.116 4.466 4.350 -0.001 0.000 0.263 230 T C 1.396 176.010 174.700 -0.144 0.000 1.078 230 T CA 0.846 62.874 62.100 -0.121 0.000 1.135 230 T CB 0.367 69.167 68.868 -0.113 0.000 0.895 230 T HN 0.423 nan 8.240 nan 0.000 0.480 231 G N 2.363 111.034 108.800 -0.216 0.000 2.140 231 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.211 231 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.211 231 G C -0.289 174.459 174.900 -0.255 0.000 1.013 231 G CA 0.113 45.089 45.100 -0.207 0.000 0.705 231 G HN 0.736 nan 8.290 nan 0.000 0.508 232 D N -0.759 119.480 120.400 -0.270 0.000 2.481 232 D HA 0.390 5.029 4.640 -0.001 0.000 0.283 232 D C 0.879 176.952 176.300 -0.379 0.000 1.192 232 D CA -0.560 53.223 54.000 -0.362 0.000 1.100 232 D CB 0.363 41.027 40.800 -0.226 0.000 1.166 232 D HN 0.010 nan 8.370 nan 0.000 0.584 233 Y N -0.563 119.685 120.300 -0.087 0.000 2.510 233 Y HA 0.125 4.674 4.550 -0.001 0.000 0.273 233 Y C 0.905 176.738 175.900 -0.111 0.000 1.119 233 Y CA -0.073 57.971 58.100 -0.093 0.000 1.286 233 Y CB -0.072 38.342 38.460 -0.076 0.000 1.061 233 Y HN -0.153 nan 8.280 nan 0.000 0.542 234 R N 2.017 122.524 120.500 0.010 0.000 2.697 234 R HA -0.030 4.310 4.340 -0.001 0.000 0.265 234 R C 0.476 176.736 176.300 -0.066 0.000 1.009 234 R CA -0.017 56.065 56.100 -0.031 0.000 1.099 234 R CB 0.124 30.390 30.300 -0.057 0.000 0.965 234 R HN 0.047 nan 8.270 nan 0.000 0.428 235 K N 3.614 123.984 120.400 -0.051 0.000 2.276 235 K HA 0.183 4.503 4.320 -0.001 0.000 0.259 235 K C -1.924 174.692 176.600 0.027 0.000 1.001 235 K CA -1.200 55.063 56.287 -0.040 0.000 0.927 235 K CB 0.036 32.563 32.500 0.046 0.000 0.969 235 K HN 0.449 nan 8.250 nan 0.000 0.490 236 P HA 0.304 nan 4.420 nan 0.000 0.278 236 P C -0.938 176.443 177.300 0.136 0.000 1.258 236 P CA -0.550 62.596 63.100 0.077 0.000 0.811 236 P CB 0.971 32.802 31.700 0.218 0.000 1.063 237 R N 1.359 121.874 120.500 0.025 0.000 2.387 237 R HA 0.548 4.887 4.340 -0.001 0.000 0.314 237 R C -0.559 175.858 176.300 0.196 0.000 0.958 237 R CA -0.499 55.602 56.100 0.002 0.000 0.846 237 R CB 0.497 30.546 30.300 -0.420 0.000 1.147 237 R HN 0.405 nan 8.270 nan 0.000 0.447 238 I N 5.286 126.000 120.570 0.240 0.000 2.498 238 I HA 0.304 4.474 4.170 -0.001 0.000 0.290 238 I C -1.098 175.096 176.117 0.127 0.000 1.032 238 I CA -1.037 60.372 61.300 0.182 0.000 1.073 238 I CB 1.446 39.469 38.000 0.039 0.000 1.251 238 I HN 0.469 nan 8.210 nan 0.000 0.426 239 L N 7.101 128.259 121.223 -0.109 0.000 2.305 239 L HA 0.566 4.905 4.340 -0.001 0.000 0.284 239 L C -1.315 175.417 176.870 -0.230 0.000 1.013 239 L CA -0.259 54.379 54.840 -0.337 0.000 0.819 239 L CB 1.285 42.655 42.059 -1.147 0.000 1.227 239 L HN 0.410 nan 8.230 nan 0.000 0.417 240 F N 6.250 125.984 119.950 -0.360 0.000 2.415 240 F HA 0.686 5.213 4.527 -0.001 0.000 0.348 240 F C -1.320 174.355 175.800 -0.208 0.000 1.119 240 F CA -0.625 57.217 58.000 -0.262 0.000 1.069 240 F CB 0.910 39.715 39.000 -0.325 0.000 1.124 240 F HN 0.365 nan 8.300 nan 0.000 0.472 241 L N 6.891 127.650 121.223 -0.774 0.000 2.362 241 L HA 0.906 5.246 4.340 -0.001 0.000 0.275 241 L C -0.298 176.011 176.870 -0.935 0.000 0.998 241 L CA -0.587 53.830 54.840 -0.706 0.000 0.820 241 L CB 1.364 43.098 42.059 -0.541 0.000 1.270 241 L HN 0.842 nan 8.230 nan 0.000 0.415 242 A N 2.018 124.389 122.820 -0.748 0.000 3.065 242 A HA 0.809 5.128 4.320 -0.001 0.000 0.293 242 A C -1.834 175.491 177.584 -0.432 0.000 1.213 242 A CA -0.280 51.445 52.037 -0.520 0.000 0.667 242 A CB 1.837 20.689 19.000 -0.247 0.000 1.412 242 A HN 0.628 nan 8.150 nan 0.000 0.601 256 F N 2.133 121.873 119.950 -0.350 0.000 2.693 256 F HA 0.276 4.802 4.527 -0.001 0.000 0.303 256 F C 2.191 178.011 175.800 0.035 0.000 1.097 256 F CA 0.136 58.114 58.000 -0.037 0.000 1.330 256 F CB -0.526 38.649 39.000 0.292 0.000 1.067 256 F HN 0.058 nan 8.300 nan 0.000 0.565 257 T N 0.792 115.348 114.554 0.002 0.000 2.760 257 T HA -0.189 4.161 4.350 -0.001 0.000 0.269 257 T C -0.427 174.285 174.700 0.020 0.000 1.047 257 T CA 1.428 63.534 62.100 0.010 0.000 1.139 257 T CB -1.129 67.701 68.868 -0.063 0.000 0.855 257 T HN 0.147 nan 8.240 nan 0.000 0.471 258 P HA -0.035 nan 4.420 nan 0.000 0.222 258 P C 0.775 178.100 177.300 0.042 0.000 1.142 258 P CA 0.856 63.825 63.100 -0.218 0.000 0.788 258 P CB -0.138 31.021 31.700 -0.902 0.000 0.767 259 F N -0.618 119.440 119.950 0.180 0.000 2.219 259 F HA 0.233 4.760 4.527 -0.001 0.000 0.294 259 F C 1.688 177.531 175.800 0.072 0.000 1.086 259 F CA 0.835 58.884 58.000 0.081 0.000 1.330 259 F CB -1.321 37.689 39.000 0.018 0.000 1.047 259 F HN -0.186 nan 8.300 nan 0.000 0.495 260 G N 1.204 110.177 108.800 0.289 0.000 2.819 260 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.339 260 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.339 260 G C 0.133 175.139 174.900 0.176 0.000 0.136 260 G CA 0.613 45.828 45.100 0.191 0.000 1.240 260 G HN 0.619 nan 8.290 nan 0.000 0.499 261 D N -0.406 120.076 120.400 0.137 0.000 2.792 261 D HA -0.245 4.395 4.640 -0.001 0.000 0.192 261 D C 1.639 178.005 176.300 0.111 0.000 1.007 261 D CA 2.536 56.607 54.000 0.119 0.000 1.020 261 D CB -1.455 39.419 40.800 0.125 0.000 1.089 261 D HN 1.349 nan 8.370 nan 0.000 0.438 262 A N -0.376 122.509 122.820 0.108 0.000 2.140 262 A HA 0.204 4.524 4.320 -0.001 0.000 0.209 262 A C 1.066 178.599 177.584 -0.084 0.000 1.181 262 A CA 0.088 52.154 52.037 0.048 0.000 0.824 262 A CB 0.369 19.384 19.000 0.026 0.000 0.879 262 A HN 0.134 nan 8.150 nan 0.000 0.480 263 R N -0.005 120.498 120.500 0.005 0.000 2.543 263 R HA 0.402 4.742 4.340 -0.001 0.000 0.277 263 R C -0.761 175.590 176.300 0.086 0.000 1.074 263 R CA 0.080 56.220 56.100 0.066 0.000 1.076 263 R CB 0.247 30.674 30.300 0.212 0.000 0.993 263 R HN 0.496 nan 8.270 nan 0.000 0.459 264 H N 0.737 119.784 119.070 -0.037 0.000 3.154 264 H HA 0.177 4.732 4.556 -0.001 0.000 0.330 264 H C -1.506 173.928 175.328 0.176 0.000 1.033 264 H CA -0.565 55.464 56.048 -0.031 0.000 1.393 264 H CB 0.934 30.532 29.762 -0.272 0.000 1.951 264 H HN 0.326 nan 8.280 nan 0.000 0.466 265 K N 5.457 125.645 120.400 -0.354 0.000 2.156 265 K HA 0.383 4.703 4.320 -0.001 0.000 0.271 265 K C -0.406 176.013 176.600 -0.301 0.000 0.995 265 K CA -0.775 55.426 56.287 -0.143 0.000 0.890 265 K CB 0.717 33.150 32.500 -0.112 0.000 1.073 265 K HN 0.629 nan 8.250 nan 0.000 0.454 266 I N 3.799 124.389 120.570 0.033 0.000 2.291 266 I HA 0.181 4.351 4.170 -0.001 0.000 0.292 266 I C 0.228 176.401 176.117 0.094 0.000 1.064 266 I CA -0.044 61.350 61.300 0.156 0.000 1.269 266 I CB 0.596 38.789 38.000 0.322 0.000 1.418 266 I HN 0.502 nan 8.210 nan 0.000 0.485 267 E N 3.662 123.903 120.200 0.069 0.000 2.393 267 E HA 0.679 5.028 4.350 -0.001 0.000 0.265 267 E C 0.106 176.748 176.600 0.071 0.000 0.941 267 E CA -0.772 55.660 56.400 0.053 0.000 0.801 267 E CB 2.191 31.901 29.700 0.017 0.000 1.313 267 E HN 0.728 nan 8.360 nan 0.000 0.435 272 V N 3.285 123.240 119.914 0.069 0.000 2.432 272 V HA 0.277 4.397 4.120 -0.001 0.000 0.271 272 V C 0.654 176.835 176.094 0.146 0.000 1.046 272 V CA 0.073 62.366 62.300 -0.013 0.000 0.945 272 V CB 1.039 32.668 31.823 -0.323 0.000 0.992 272 V HN 0.707 nan 8.190 nan 0.000 0.471 273 K N 2.073 122.508 120.400 0.058 0.000 2.681 273 K HA 0.201 4.520 4.320 -0.001 0.000 0.211 273 K C 0.989 177.797 176.600 0.346 0.000 1.075 273 K CA 0.319 56.739 56.287 0.221 0.000 1.141 273 K CB 0.328 32.816 32.500 -0.019 0.000 0.896 273 K HN 0.614 nan 8.250 nan 0.000 0.470 274 S N -1.119 114.735 115.700 0.257 0.000 2.549 274 S HA 0.237 4.707 4.470 -0.001 0.000 0.225 274 S C 0.891 175.586 174.600 0.157 0.000 1.039 274 S CA -0.691 57.614 58.200 0.175 0.000 0.942 274 S CB 0.215 63.463 63.200 0.079 0.000 0.881 274 S HN 0.065 nan 8.310 nan 0.000 0.503 275 R N 1.614 122.195 120.500 0.136 0.000 2.668 275 R HA 0.398 4.737 4.340 -0.001 0.000 0.268 275 R C 0.888 177.218 176.300 0.049 0.000 1.232 275 R CA 0.225 56.302 56.100 -0.039 0.000 1.166 275 R CB 0.058 30.132 30.300 -0.376 0.000 1.179 275 R HN 0.525 nan 8.270 nan 0.000 0.606 276 E N -0.143 120.010 120.200 -0.078 0.000 2.399 276 E HA 0.157 4.507 4.350 -0.001 0.000 0.206 276 E C -0.144 176.415 176.600 -0.069 0.000 0.812 276 E CA 0.084 56.507 56.400 0.039 0.000 1.138 276 E CB 0.480 30.273 29.700 0.156 0.000 1.140 276 E HN 0.174 nan 8.360 nan 0.000 0.536 277 I N 2.016 122.378 120.570 -0.347 0.000 2.354 277 I HA 0.199 4.369 4.170 -0.001 0.000 0.286 277 I C -1.111 174.685 176.117 -0.535 0.000 1.007 277 I CA -0.533 60.469 61.300 -0.496 0.000 1.167 277 I CB 0.411 37.857 38.000 -0.924 0.000 1.320 277 I HN -0.054 nan 8.210 nan 0.000 0.458 278 Y N 5.947 126.051 120.300 -0.328 0.000 2.420 278 Y HA 0.671 5.221 4.550 -0.001 0.000 0.334 278 Y C -0.436 175.152 175.900 -0.521 0.000 1.094 278 Y CA -0.678 57.301 58.100 -0.201 0.000 1.126 278 Y CB 1.158 39.704 38.460 0.143 0.000 1.217 278 Y HN 0.280 nan 8.280 nan 0.000 0.462 279 F N 0.909 120.919 119.950 0.100 0.000 2.563 279 F HA 0.842 5.368 4.527 -0.001 0.000 0.316 279 F C -0.233 175.580 175.800 0.022 0.000 1.076 279 F CA -1.005 57.013 58.000 0.030 0.000 0.921 279 F CB 2.060 41.010 39.000 -0.083 0.000 1.209 279 F HN 0.505 nan 8.300 nan 0.000 0.462 280 A N 2.412 125.311 122.820 0.131 0.000 2.577 280 A HA 0.769 5.089 4.320 -0.001 0.000 0.297 280 A C -1.863 175.649 177.584 -0.119 0.000 1.060 280 A CA -0.480 51.572 52.037 0.026 0.000 0.697 280 A CB 1.012 20.026 19.000 0.022 0.000 1.281 280 A HN 0.546 nan 8.150 nan 0.000 0.402 281 I N 1.840 122.355 120.570 -0.092 0.000 2.437 281 I HA 0.400 4.570 4.170 -0.001 0.000 0.298 281 I C 0.936 176.982 176.117 -0.118 0.000 0.984 281 I CA -0.137 61.062 61.300 -0.168 0.000 1.214 281 I CB 0.992 38.959 38.000 -0.054 0.000 1.365 281 I HN 0.732 nan 8.210 nan 0.000 0.469 282 Y N 2.123 122.410 120.300 -0.021 0.000 2.139 282 Y HA -0.314 4.236 4.550 -0.001 0.000 0.282 282 Y C 2.302 178.226 175.900 0.041 0.000 1.179 282 Y CA 1.675 59.779 58.100 0.007 0.000 1.161 282 Y CB -0.592 37.847 38.460 -0.036 0.000 0.970 282 Y HN 0.598 nan 8.280 nan 0.000 0.511 283 Q N -0.116 119.786 119.800 0.171 0.000 2.234 283 Q HA -0.169 4.170 4.340 -0.001 0.000 0.206 283 Q C 1.822 177.880 176.000 0.096 0.000 0.980 283 Q CA 1.801 57.672 55.803 0.113 0.000 0.869 283 Q CB -0.052 28.731 28.738 0.075 0.000 0.912 283 Q HN 0.568 nan 8.270 nan 0.000 0.436 284 S N -0.779 114.976 115.700 0.092 0.000 2.503 284 S HA 0.127 4.597 4.470 -0.001 0.000 0.217 284 S C 0.583 175.263 174.600 0.134 0.000 0.999 284 S CA -0.125 58.130 58.200 0.093 0.000 0.914 284 S CB 0.474 63.718 63.200 0.075 0.000 0.782 284 S HN 0.262 nan 8.310 nan 0.000 0.520 293 G N 1.416 110.122 108.800 -0.156 0.000 2.182 293 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.248 293 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.248 293 G C 0.811 175.358 174.900 -0.588 0.000 1.042 293 G CA 0.229 45.048 45.100 -0.468 0.000 0.775 293 G HN 0.623 nan 8.290 nan 0.000 0.501 294 L N -0.539 120.546 121.223 -0.231 0.000 2.064 294 L HA -0.264 4.075 4.340 -0.001 0.000 0.216 294 L C 2.962 179.829 176.870 -0.004 0.000 1.077 294 L CA 3.085 57.880 54.840 -0.075 0.000 0.766 294 L CB -0.394 41.722 42.059 0.096 0.000 0.890 294 L HN 0.763 nan 8.230 nan 0.000 0.435 295 Y N -0.503 119.897 120.300 0.168 0.000 2.283 295 Y HA -0.259 4.291 4.550 -0.001 0.000 0.285 295 Y C 2.096 178.062 175.900 0.110 0.000 1.176 295 Y CA 1.131 59.425 58.100 0.323 0.000 1.229 295 Y CB -1.233 37.333 38.460 0.178 0.000 0.975 295 Y HN 0.110 nan 8.280 nan 0.000 0.537 296 K N 0.506 120.676 120.400 -0.384 0.000 2.519 296 K HA -0.171 4.148 4.320 -0.001 0.000 0.196 296 K C 1.522 178.102 176.600 -0.033 0.000 1.041 296 K CA 1.246 57.355 56.287 -0.296 0.000 0.954 296 K CB -0.112 32.145 32.500 -0.404 0.000 0.774 296 K HN 0.404 nan 8.250 nan 0.000 0.480 297 E N 0.699 120.862 120.200 -0.062 0.000 2.358 297 E HA -0.038 4.312 4.350 -0.001 0.000 0.195 297 E C -0.391 176.062 176.600 -0.245 0.000 1.010 297 E CA 0.516 56.800 56.400 -0.193 0.000 0.856 297 E CB 0.098 29.593 29.700 -0.341 0.000 0.795 297 E HN 0.080 nan 8.360 nan 0.000 0.504 298 F N 1.691 121.630 119.950 -0.018 0.000 2.397 298 F HA 0.419 4.946 4.527 -0.001 0.000 0.331 298 F C -1.716 174.199 175.800 0.191 0.000 1.090 298 F CA -2.741 55.186 58.000 -0.122 0.000 1.065 298 F CB 0.992 39.888 39.000 -0.174 0.000 1.184 298 F HN -0.113 nan 8.300 nan 0.000 0.499 299 P HA 0.067 nan 4.420 nan 0.000 0.274 299 P C -0.233 177.376 177.300 0.514 0.000 1.256 299 P CA -0.291 63.031 63.100 0.370 0.000 0.795 299 P CB 0.944 32.795 31.700 0.253 0.000 1.038 300 Q N 1.062 120.986 119.800 0.207 0.000 2.045 300 Q HA -0.166 4.174 4.340 -0.001 0.000 0.206 300 Q C 1.040 177.265 176.000 0.376 0.000 0.991 300 Q CA 1.856 57.693 55.803 0.056 0.000 0.851 300 Q CB -0.698 27.906 28.738 -0.222 0.000 0.911 300 Q HN 0.641 nan 8.270 nan 0.000 0.418 301 D N -0.202 120.349 120.400 0.251 0.000 2.504 301 D HA -0.044 4.595 4.640 -0.001 0.000 0.243 301 D C 1.053 177.491 176.300 0.232 0.000 1.203 301 D CA -0.187 53.942 54.000 0.216 0.000 0.847 301 D CB -0.406 40.462 40.800 0.114 0.000 0.973 301 D HN 0.045 nan 8.370 nan 0.000 0.490 302 F N 1.417 121.451 119.950 0.140 0.000 2.022 302 F HA 0.088 4.615 4.527 -0.001 0.000 0.293 302 F C 0.492 176.161 175.800 -0.218 0.000 1.142 302 F CA 0.375 58.315 58.000 -0.099 0.000 1.177 302 F CB -0.340 38.501 39.000 -0.266 0.000 0.982 302 F HN -0.216 nan 8.300 nan 0.000 0.473 303 F N 1.375 121.280 119.950 -0.076 0.000 2.459 303 F HA 0.144 4.671 4.527 -0.001 0.000 0.346 303 F C 1.293 177.061 175.800 -0.054 0.000 1.128 303 F CA 0.071 57.954 58.000 -0.195 0.000 1.268 303 F CB 0.239 39.075 39.000 -0.273 0.000 1.161 303 F HN 0.019 nan 8.300 nan 0.000 0.583 304 D N 0.544 121.053 120.400 0.181 0.000 2.338 304 D HA 0.172 4.812 4.640 -0.001 0.000 0.208 304 D C -0.513 176.077 176.300 0.484 0.000 0.997 304 D CA 0.565 54.692 54.000 0.212 0.000 0.880 304 D CB 0.459 41.222 40.800 -0.062 0.000 0.980 304 D HN 0.185 nan 8.370 nan 0.000 0.509 305 L N 0.340 121.802 121.223 0.397 0.000 2.505 305 L HA 0.459 4.799 4.340 -0.001 0.000 0.259 305 L C -2.130 174.820 176.870 0.133 0.000 0.952 305 L CA -0.656 54.391 54.840 0.344 0.000 0.840 305 L CB 2.133 44.404 42.059 0.354 0.000 1.358 305 L HN -0.202 nan 8.230 nan 0.000 0.409 306 I N 5.414 126.033 120.570 0.082 0.000 2.533 306 I HA 0.448 4.618 4.170 -0.001 0.000 0.290 306 I C -0.970 175.166 176.117 0.032 0.000 1.056 306 I CA -0.397 60.867 61.300 -0.061 0.000 1.057 306 I CB 2.070 39.995 38.000 -0.125 0.000 1.240 306 I HN 0.527 nan 8.210 nan 0.000 0.423 307 I N 6.605 127.174 120.570 -0.002 0.000 2.389 307 I HA 0.433 4.603 4.170 -0.001 0.000 0.288 307 I C -0.313 175.728 176.117 -0.126 0.000 0.999 307 I CA -0.522 60.797 61.300 0.030 0.000 1.129 307 I CB 2.176 40.279 38.000 0.172 0.000 1.288 307 I HN 0.328 nan 8.210 nan 0.000 0.444 308 I N 5.183 125.689 120.570 -0.106 0.000 2.336 308 I HA 0.140 4.310 4.170 -0.001 0.000 0.292 308 I C 0.900 176.876 176.117 -0.235 0.000 0.991 308 I CA -0.202 60.981 61.300 -0.196 0.000 1.227 308 I CB 1.520 39.528 38.000 0.012 0.000 1.366 308 I HN 0.604 nan 8.210 nan 0.000 0.466 309 D N 3.814 123.976 120.400 -0.397 0.000 2.092 309 D HA -0.209 4.430 4.640 -0.001 0.000 0.193 309 D C 0.488 176.727 176.300 -0.103 0.000 0.994 309 D CA 1.723 55.592 54.000 -0.218 0.000 0.828 309 D CB 0.406 41.046 40.800 -0.266 0.000 0.963 309 D HN 0.556 nan 8.370 nan 0.000 0.450 310 E N -1.620 118.496 120.200 -0.140 0.000 2.287 310 E HA 0.246 4.596 4.350 -0.001 0.000 0.274 310 E C -0.437 176.052 176.600 -0.184 0.000 0.896 310 E CA -0.548 55.789 56.400 -0.104 0.000 0.788 310 E CB 0.811 30.470 29.700 -0.068 0.000 1.244 310 E HN 0.107 nan 8.360 nan 0.000 0.408 311 C N 3.527 122.776 119.300 -0.085 0.000 2.481 311 C HA 0.194 4.654 4.460 -0.001 0.000 0.275 311 C C 0.979 176.023 174.990 0.091 0.000 1.419 311 C CA 0.257 59.306 59.018 0.050 0.000 1.773 311 C CB -1.462 26.428 27.740 0.249 0.000 1.862 311 C HN 0.732 nan 8.230 nan 0.000 0.530 323 R N 1.336 121.408 120.500 -0.713 0.000 2.249 323 R HA -0.129 4.210 4.340 -0.001 0.000 0.230 323 R C 1.703 177.748 176.300 -0.425 0.000 1.121 323 R CA 2.002 57.570 56.100 -0.887 0.000 0.997 323 R CB -0.061 29.808 30.300 -0.720 0.000 0.867 323 R HN 0.364 nan 8.270 nan 0.000 0.465 324 E N 0.266 120.331 120.200 -0.225 0.000 2.152 324 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 324 E C 1.970 178.489 176.600 -0.134 0.000 0.983 324 E CA 0.831 57.180 56.400 -0.085 0.000 0.818 324 E CB -0.325 29.395 29.700 0.034 0.000 0.758 324 E HN 0.452 nan 8.360 nan 0.000 0.467 325 I N 0.493 120.903 120.570 -0.267 0.000 2.233 325 I HA -0.215 3.954 4.170 -0.001 0.000 0.243 325 I C 2.201 178.260 176.117 -0.097 0.000 1.093 325 I CA 0.613 61.615 61.300 -0.496 0.000 1.380 325 I CB -0.247 37.585 38.000 -0.281 0.000 1.067 325 I HN 0.011 nan 8.210 nan 0.000 0.413 326 L N 1.050 122.218 121.223 -0.091 0.000 2.005 326 L HA -0.199 4.141 4.340 -0.001 0.000 0.207 326 L C 2.657 179.555 176.870 0.045 0.000 1.072 326 L CA 1.867 56.706 54.840 -0.002 0.000 0.744 326 L CB -1.055 40.876 42.059 -0.215 0.000 0.895 326 L HN 0.389 nan 8.230 nan 0.000 0.433 327 E N -1.878 118.302 120.200 -0.034 0.000 2.347 327 E HA -0.268 4.082 4.350 -0.001 0.000 0.196 327 E C 2.076 178.688 176.600 0.020 0.000 1.008 327 E CA 1.034 57.442 56.400 0.013 0.000 0.852 327 E CB -0.598 29.094 29.700 -0.012 0.000 0.783 327 E HN 0.589 nan 8.360 nan 0.000 0.505 328 Y N 0.525 120.751 120.300 -0.123 0.000 2.314 328 Y HA 0.058 4.608 4.550 -0.001 0.000 0.294 328 Y C 0.938 176.734 175.900 -0.173 0.000 1.119 328 Y CA 0.576 58.566 58.100 -0.183 0.000 1.179 328 Y CB 0.170 38.439 38.460 -0.318 0.000 1.025 328 Y HN -0.126 nan 8.280 nan 0.000 0.541 329 F N 2.170 122.203 119.950 0.138 0.000 2.777 329 F HA 0.208 4.734 4.527 -0.001 0.000 0.291 329 F C 0.644 176.472 175.800 0.046 0.000 1.187 329 F CA -0.626 57.442 58.000 0.114 0.000 1.406 329 F CB -0.870 38.228 39.000 0.163 0.000 0.982 329 F HN 0.100 nan 8.300 nan 0.000 0.509 330 E N 1.774 122.050 120.200 0.127 0.000 2.349 330 E HA 0.193 4.542 4.350 -0.001 0.000 0.265 330 E C -2.120 174.515 176.600 0.059 0.000 1.064 330 E CA -1.918 54.520 56.400 0.063 0.000 0.886 330 E CB 1.207 30.901 29.700 -0.010 0.000 1.036 330 E HN -0.047 nan 8.360 nan 0.000 0.413 331 P HA 0.230 nan 4.420 nan 0.000 0.241 331 P C -1.133 176.183 177.300 0.027 0.000 1.783 331 P CA -0.247 62.850 63.100 -0.006 0.000 1.052 331 P CB 0.516 32.195 31.700 -0.036 0.000 1.594 332 A N 0.246 123.146 122.820 0.134 0.000 2.440 332 A HA 0.298 4.618 4.320 -0.001 0.000 0.251 332 A C -0.084 177.622 177.584 0.203 0.000 1.089 332 A CA -0.193 51.972 52.037 0.215 0.000 0.779 332 A CB -0.453 18.687 19.000 0.233 0.000 1.022 332 A HN 0.101 nan 8.150 nan 0.000 0.492 333 F N 0.791 120.868 119.950 0.212 0.000 2.563 333 F HA 0.184 4.710 4.527 -0.001 0.000 0.363 333 F C 1.213 177.117 175.800 0.174 0.000 1.123 333 F CA 1.533 59.652 58.000 0.198 0.000 1.307 333 F CB 0.660 39.803 39.000 0.238 0.000 1.115 333 F HN 0.557 nan 8.300 nan 0.000 0.592 334 Q N 3.425 123.429 119.800 0.339 0.000 2.310 334 Q HA 0.511 4.850 4.340 -0.001 0.000 0.270 334 Q C -1.439 174.755 176.000 0.323 0.000 1.025 334 Q CA -0.810 55.190 55.803 0.329 0.000 0.772 334 Q CB 2.466 31.439 28.738 0.391 0.000 1.253 334 Q HN 0.387 nan 8.270 nan 0.000 0.450 335 I N 1.914 122.608 120.570 0.205 0.000 2.355 335 I HA 0.461 4.630 4.170 -0.001 0.000 0.288 335 I C 0.478 176.542 176.117 -0.089 0.000 0.999 335 I CA 0.008 61.356 61.300 0.080 0.000 1.163 335 I CB 1.702 39.742 38.000 0.067 0.000 1.316 335 I HN 0.632 nan 8.210 nan 0.000 0.454 339 A N 1.637 124.487 122.820 0.051 0.000 2.303 339 A HA 0.507 4.827 4.320 -0.001 0.000 0.217 339 A C 0.911 178.489 177.584 -0.009 0.000 1.205 339 A CA 0.991 53.072 52.037 0.074 0.000 0.875 339 A CB -0.126 18.917 19.000 0.071 0.000 0.910 339 A HN 1.166 nan 8.150 nan 0.000 0.501 340 T N -1.401 113.096 114.554 -0.095 0.000 2.863 340 T HA 0.650 4.999 4.350 -0.001 0.000 0.285 340 T C -3.130 171.410 174.700 -0.268 0.000 1.009 340 T CA -2.242 59.666 62.100 -0.321 0.000 0.989 340 T CB 2.711 71.439 68.868 -0.233 0.000 1.004 340 T HN 0.011 nan 8.240 nan 0.000 0.455 341 P HA 0.238 nan 4.420 nan 0.000 0.277 341 P C -0.021 177.018 177.300 -0.435 0.000 1.271 341 P CA -0.905 62.011 63.100 -0.306 0.000 0.795 341 P CB 0.932 32.405 31.700 -0.378 0.000 1.101 342 L N 1.426 122.159 121.223 -0.816 0.000 2.597 342 L HA -0.005 4.334 4.340 -0.001 0.000 0.271 342 L C 0.715 177.315 176.870 -0.450 0.000 1.157 342 L CA 0.548 54.774 54.840 -1.022 0.000 0.928 342 L CB -0.263 41.170 42.059 -1.043 0.000 1.216 342 L HN 0.406 nan 8.230 nan 0.000 0.481 343 R N 3.037 123.341 120.500 -0.326 0.000 3.288 343 R HA 0.273 4.612 4.340 -0.001 0.000 0.245 343 R C 0.745 176.969 176.300 -0.126 0.000 1.436 343 R CA -0.631 55.356 56.100 -0.188 0.000 1.036 343 R CB 0.193 30.400 30.300 -0.156 0.000 1.500 343 R HN 0.508 nan 8.270 nan 0.000 0.493 344 E N 1.235 121.392 120.200 -0.071 0.000 2.107 344 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 344 E C 0.777 177.372 176.600 -0.007 0.000 0.982 344 E CA 1.494 57.875 56.400 -0.033 0.000 0.809 344 E CB 0.119 29.811 29.700 -0.013 0.000 0.756 344 E HN 0.472 nan 8.360 nan 0.000 0.459 345 D N -0.178 120.213 120.400 -0.014 0.000 2.348 345 D HA -0.060 4.580 4.640 -0.001 0.000 0.211 345 D C 1.299 177.602 176.300 0.004 0.000 0.998 345 D CA 0.321 54.339 54.000 0.031 0.000 0.873 345 D CB -0.152 40.677 40.800 0.049 0.000 0.925 345 D HN -0.063 nan 8.370 nan 0.000 0.524 346 N N 0.690 119.321 118.700 -0.115 0.000 2.415 346 N HA 0.033 4.772 4.740 -0.001 0.000 0.176 346 N C 1.628 177.219 175.510 0.134 0.000 1.042 346 N CA 0.151 53.132 53.050 -0.114 0.000 0.902 346 N CB 0.042 38.417 38.487 -0.187 0.000 0.986 346 N HN 0.160 nan 8.380 nan 0.000 0.447 347 R N 0.665 121.218 120.500 0.090 0.000 2.159 347 R HA -0.181 4.159 4.340 -0.001 0.000 0.252 347 R C 0.811 177.246 176.300 0.225 0.000 1.144 347 R CA 1.638 57.822 56.100 0.140 0.000 0.961 347 R CB -0.569 29.776 30.300 0.075 0.000 0.877 347 R HN 0.282 nan 8.270 nan 0.000 0.444 348 D N -0.257 120.270 120.400 0.212 0.000 2.182 348 D HA -0.099 4.541 4.640 -0.001 0.000 0.201 348 D C 1.764 178.219 176.300 0.257 0.000 0.986 348 D CA 1.310 55.428 54.000 0.196 0.000 0.847 348 D CB -0.278 40.611 40.800 0.149 0.000 0.942 348 D HN 0.227 nan 8.370 nan 0.000 0.467 349 T N -0.221 114.551 114.554 0.364 0.000 2.737 349 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 349 T C 1.536 176.444 174.700 0.346 0.000 1.038 349 T CA 0.799 63.148 62.100 0.414 0.000 1.144 349 T CB -0.313 68.819 68.868 0.440 0.000 0.866 349 T HN 0.196 nan 8.240 nan 0.000 0.434 350 Y N 1.203 121.644 120.300 0.235 0.000 2.571 350 Y HA 0.123 4.672 4.550 -0.001 0.000 0.294 350 Y C 2.460 178.456 175.900 0.161 0.000 1.141 350 Y CA 0.276 58.493 58.100 0.196 0.000 1.308 350 Y CB -0.212 38.319 38.460 0.119 0.000 1.002 350 Y HN 0.077 nan 8.280 nan 0.000 0.551 351 R N -1.905 118.751 120.500 0.260 0.000 2.080 351 R HA -0.109 4.231 4.340 -0.001 0.000 0.222 351 R C 1.772 178.123 176.300 0.086 0.000 1.107 351 R CA 1.115 57.306 56.100 0.151 0.000 0.980 351 R CB -0.461 29.914 30.300 0.125 0.000 0.879 351 R HN 0.332 nan 8.270 nan 0.000 0.439 352 Y N -0.125 120.141 120.300 -0.057 0.000 2.184 352 Y HA -0.112 4.437 4.550 -0.001 0.000 0.290 352 Y C 1.374 177.087 175.900 -0.311 0.000 1.129 352 Y CA 1.520 59.464 58.100 -0.260 0.000 1.144 352 Y CB 0.054 38.236 38.460 -0.465 0.000 0.995 352 Y HN -0.115 nan 8.280 nan 0.000 0.513 353 F N 0.199 120.246 119.950 0.162 0.000 2.698 353 F HA 0.337 4.863 4.527 -0.001 0.000 0.295 353 F C 1.433 177.234 175.800 0.003 0.000 1.124 353 F CA 0.779 58.818 58.000 0.066 0.000 1.426 353 F CB -0.266 38.790 39.000 0.093 0.000 1.120 353 F HN 0.184 nan 8.300 nan 0.000 0.583 354 G N 0.487 109.388 108.800 0.169 0.000 2.728 354 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.294 354 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.294 354 G C -0.650 174.343 174.900 0.156 0.000 1.342 354 G CA -1.065 44.116 45.100 0.135 0.000 0.866 354 G HN 0.091 nan 8.290 nan 0.000 0.534 355 N N 2.172 120.972 118.700 0.167 0.000 2.492 355 N HA 0.376 5.116 4.740 -0.001 0.000 0.260 355 N C -1.692 173.912 175.510 0.156 0.000 1.215 355 N CA -0.395 52.778 53.050 0.205 0.000 0.923 355 N CB 0.573 39.166 38.487 0.176 0.000 1.092 355 N HN 0.569 nan 8.380 nan 0.000 0.448 356 P HA -0.017 nan 4.420 nan 0.000 0.265 356 P C 0.787 178.178 177.300 0.152 0.000 1.187 356 P CA -0.146 63.034 63.100 0.134 0.000 0.766 356 P CB 0.507 32.310 31.700 0.172 0.000 0.820 357 I N -0.106 120.556 120.570 0.154 0.000 3.059 357 I HA 0.228 4.397 4.170 -0.001 0.000 0.270 357 I C 0.363 176.644 176.117 0.273 0.000 1.238 357 I CA 0.270 61.675 61.300 0.174 0.000 1.478 357 I CB -0.743 37.342 38.000 0.141 0.000 1.097 357 I HN 0.231 nan 8.210 nan 0.000 0.455 358 Y N -0.350 120.014 120.300 0.106 0.000 2.521 358 Y HA 0.576 5.126 4.550 -0.001 0.000 0.326 358 Y C -1.416 174.580 175.900 0.160 0.000 1.176 358 Y CA -1.337 56.839 58.100 0.126 0.000 1.079 358 Y CB 1.412 39.941 38.460 0.115 0.000 1.341 358 Y HN -0.105 nan 8.280 nan 0.000 0.456 359 T N 5.510 119.749 114.554 -0.526 0.000 2.881 359 T HA 0.310 4.660 4.350 -0.001 0.000 0.291 359 T C -2.166 172.199 174.700 -0.558 0.000 0.990 359 T CA -0.406 61.502 62.100 -0.321 0.000 0.976 359 T CB 0.658 69.499 68.868 -0.043 0.000 0.970 359 T HN 0.417 nan 8.240 nan 0.000 0.438 360 Y N 3.935 123.983 120.300 -0.420 0.000 2.464 360 Y HA 0.491 5.041 4.550 -0.001 0.000 0.326 360 Y C 0.610 176.345 175.900 -0.274 0.000 0.969 360 Y CA -1.042 56.842 58.100 -0.359 0.000 1.270 360 Y CB 0.552 38.855 38.460 -0.260 0.000 1.103 360 Y HN 0.716 nan 8.280 nan 0.000 0.491 361 S N 4.111 119.362 115.700 -0.747 0.000 2.641 361 S HA 0.110 4.579 4.470 -0.001 0.000 0.261 361 S C 0.938 174.923 174.600 -1.024 0.000 1.257 361 S CA -0.524 56.962 58.200 -1.190 0.000 0.983 361 S CB 0.961 63.469 63.200 -1.155 0.000 0.990 361 S HN 0.776 nan 8.310 nan 0.000 0.572 362 L N 0.633 121.208 121.223 -1.079 0.000 2.109 362 L HA 0.167 4.507 4.340 -0.001 0.000 0.207 362 L C 2.692 179.364 176.870 -0.330 0.000 1.086 362 L CA 1.615 56.196 54.840 -0.433 0.000 0.760 362 L CB -1.101 40.860 42.059 -0.163 0.000 0.910 362 L HN 0.900 nan 8.230 nan 0.000 0.437 363 R N -0.755 119.501 120.500 -0.406 0.000 2.080 363 R HA -0.244 4.095 4.340 -0.001 0.000 0.236 363 R C 2.436 178.584 176.300 -0.254 0.000 1.137 363 R CA 2.210 58.158 56.100 -0.254 0.000 0.943 363 R CB -0.326 29.827 30.300 -0.245 0.000 0.846 363 R HN 0.577 nan 8.270 nan 0.000 0.431 364 Q N -0.971 118.584 119.800 -0.409 0.000 2.079 364 Q HA -0.091 4.249 4.340 -0.001 0.000 0.200 364 Q C 1.954 177.770 176.000 -0.307 0.000 0.974 364 Q CA 1.676 57.258 55.803 -0.369 0.000 0.840 364 Q CB -0.227 28.164 28.738 -0.578 0.000 0.898 364 Q HN 0.542 nan 8.270 nan 0.000 0.430 365 G N 0.952 109.451 108.800 -0.502 0.000 2.446 365 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.217 365 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.217 365 G C 1.362 176.305 174.900 0.070 0.000 1.168 365 G CA 1.055 46.120 45.100 -0.059 0.000 0.771 365 G HN 0.364 nan 8.290 nan 0.000 0.551 366 I N 0.667 121.238 120.570 0.002 0.000 2.226 366 I HA -0.132 4.037 4.170 -0.001 0.000 0.245 366 I C 2.375 178.494 176.117 0.003 0.000 1.100 366 I CA 1.489 62.812 61.300 0.038 0.000 1.374 366 I CB -0.250 37.768 38.000 0.029 0.000 1.057 366 I HN 0.111 nan 8.210 nan 0.000 0.413 367 D N 0.849 121.236 120.400 -0.021 0.000 2.218 367 D HA -0.186 4.453 4.640 -0.001 0.000 0.204 367 D C 1.457 177.742 176.300 -0.025 0.000 0.976 367 D CA 1.101 55.088 54.000 -0.022 0.000 0.853 367 D CB 0.003 40.794 40.800 -0.016 0.000 0.939 367 D HN 0.210 nan 8.370 nan 0.000 0.481 368 D N -1.170 119.240 120.400 0.015 0.000 2.340 368 D HA 0.167 4.807 4.640 -0.001 0.000 0.220 368 D C 1.419 177.492 176.300 -0.378 0.000 1.039 368 D CA 0.838 54.802 54.000 -0.060 0.000 0.866 368 D CB 0.356 41.332 40.800 0.293 0.000 0.913 368 D HN 0.285 nan 8.370 nan 0.000 0.523 369 G N 0.414 109.089 108.800 -0.209 0.000 2.147 369 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.244 369 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.244 369 G C 0.557 175.349 174.900 -0.180 0.000 1.005 369 G CA -0.013 44.956 45.100 -0.220 0.000 0.713 369 G HN 0.288 nan 8.290 nan 0.000 0.515 370 F N -0.369 119.667 119.950 0.143 0.000 2.731 370 F HA 0.527 5.054 4.527 -0.001 0.000 0.298 370 F C 1.370 177.257 175.800 0.146 0.000 1.106 370 F CA -0.102 57.998 58.000 0.167 0.000 1.329 370 F CB 0.361 39.510 39.000 0.247 0.000 1.100 370 F HN 0.143 nan 8.300 nan 0.000 0.592 371 L N -0.912 120.484 121.223 0.289 0.000 2.350 371 L HA 0.750 5.090 4.340 -0.001 0.000 0.260 371 L C -0.309 176.696 176.870 0.225 0.000 1.015 371 L CA -1.405 53.573 54.840 0.229 0.000 0.821 371 L CB 1.870 44.045 42.059 0.192 0.000 1.370 371 L HN -0.206 nan 8.230 nan 0.000 0.416 372 A N 2.458 125.445 122.820 0.278 0.000 2.327 372 A HA 0.727 5.046 4.320 -0.001 0.000 0.283 372 A C -2.442 175.439 177.584 0.495 0.000 1.127 372 A CA -1.338 50.925 52.037 0.377 0.000 0.810 372 A CB 0.122 19.374 19.000 0.421 0.000 1.066 372 A HN 0.366 nan 8.150 nan 0.000 0.492 373 P HA 0.431 nan 4.420 nan 0.000 0.276 373 P C -1.390 175.995 177.300 0.141 0.000 1.261 373 P CA 0.197 63.405 63.100 0.180 0.000 0.800 373 P CB 0.520 32.304 31.700 0.140 0.000 1.066 374 Y N -2.701 117.529 120.300 -0.117 0.000 2.588 374 Y HA 0.783 5.332 4.550 -0.001 0.000 0.343 374 Y C -0.627 175.107 175.900 -0.278 0.000 1.065 374 Y CA -1.646 56.185 58.100 -0.448 0.000 1.038 374 Y CB 0.924 38.708 38.460 -1.127 0.000 1.297 374 Y HN 0.086 nan 8.280 nan 0.000 0.467 375 R N 0.960 121.414 120.500 -0.077 0.000 2.514 375 R HA 0.750 5.089 4.340 -0.001 0.000 0.301 375 R C -1.508 174.631 176.300 -0.268 0.000 0.962 375 R CA -0.934 55.047 56.100 -0.199 0.000 0.882 375 R CB 2.129 32.296 30.300 -0.222 0.000 1.143 375 R HN 0.666 nan 8.270 nan 0.000 0.452 376 V N 4.007 123.766 119.914 -0.259 0.000 2.435 376 V HA 0.350 4.469 4.120 -0.001 0.000 0.290 376 V C -0.456 175.435 176.094 -0.339 0.000 1.030 376 V CA -0.719 61.447 62.300 -0.224 0.000 0.881 376 V CB 1.453 33.261 31.823 -0.024 0.000 0.983 376 V HN 0.678 nan 8.190 nan 0.000 0.445 377 H N 4.307 123.362 119.070 -0.024 0.000 2.786 377 H HA 0.409 4.964 4.556 -0.001 0.000 0.284 377 H C -0.054 175.194 175.328 -0.133 0.000 1.104 377 H CA -0.533 55.485 56.048 -0.050 0.000 1.339 377 H CB 1.111 30.844 29.762 -0.049 0.000 1.427 377 H HN 0.533 nan 8.280 nan 0.000 0.497 378 R N 2.143 122.641 120.500 -0.003 0.000 2.340 378 R HA 0.407 4.747 4.340 -0.001 0.000 0.300 378 R C -0.903 175.331 176.300 -0.110 0.000 1.069 378 R CA -0.448 55.609 56.100 -0.071 0.000 0.984 378 R CB 0.566 30.850 30.300 -0.027 0.000 1.003 378 R HN 0.240 nan 8.270 nan 0.000 0.459 379 V N 6.745 126.530 119.914 -0.215 0.000 2.376 379 V HA 0.361 4.481 4.120 -0.001 0.000 0.287 379 V C -0.592 175.449 176.094 -0.089 0.000 1.015 379 V CA -0.831 61.340 62.300 -0.215 0.000 0.834 379 V CB 1.263 32.803 31.823 -0.473 0.000 1.001 379 V HN 0.656 nan 8.190 nan 0.000 0.428 380 I N 3.739 124.298 120.570 -0.018 0.000 2.493 380 I HA 0.584 4.754 4.170 -0.001 0.000 0.298 380 I C 0.512 176.675 176.117 0.076 0.000 0.998 380 I CA 0.400 61.720 61.300 0.034 0.000 1.137 380 I CB 2.314 40.329 38.000 0.024 0.000 1.310 380 I HN 0.595 nan 8.210 nan 0.000 0.445 381 S N 5.526 121.295 115.700 0.116 0.000 2.548 381 S HA 0.108 4.578 4.470 -0.001 0.000 0.277 381 S C 1.156 175.802 174.600 0.077 0.000 1.315 381 S CA -0.309 57.965 58.200 0.123 0.000 1.050 381 S CB 0.902 64.193 63.200 0.152 0.000 0.918 381 S HN 0.771 nan 8.310 nan 0.000 0.497 382 E N 2.061 122.301 120.200 0.068 0.000 2.114 382 E HA -0.216 4.134 4.350 -0.001 0.000 0.199 382 E C 1.951 178.575 176.600 0.040 0.000 1.008 382 E CA 1.823 58.253 56.400 0.049 0.000 0.810 382 E CB -0.183 29.544 29.700 0.046 0.000 0.739 382 E HN 0.697 nan 8.360 nan 0.000 0.456 383 V N -0.720 119.219 119.914 0.041 0.000 2.527 383 V HA -0.213 3.907 4.120 -0.001 0.000 0.255 383 V C 0.599 176.711 176.094 0.029 0.000 1.081 383 V CA 2.048 64.367 62.300 0.032 0.000 1.092 383 V CB -0.382 31.460 31.823 0.031 0.000 0.673 383 V HN 0.087 nan 8.190 nan 0.000 0.470 384 D N 0.648 121.069 120.400 0.035 0.000 2.427 384 D HA 0.752 5.391 4.640 -0.001 0.000 0.226 384 D C -0.146 176.169 176.300 0.025 0.000 1.076 384 D CA 0.804 54.821 54.000 0.028 0.000 0.849 384 D CB 1.136 41.955 40.800 0.031 0.000 1.052 384 D HN 0.803 nan 8.370 nan 0.000 0.515 410 K N 0.621 120.980 120.400 -0.068 0.000 2.315 410 K HA 0.788 5.108 4.320 -0.001 0.000 0.264 410 K C -0.488 176.032 176.600 -0.133 0.000 0.928 410 K CA 0.039 56.258 56.287 -0.112 0.000 0.768 410 K CB 1.452 33.903 32.500 -0.082 0.000 1.477 410 K HN 0.619 nan 8.250 nan 0.000 0.363 411 D N -2.027 118.249 120.400 -0.207 0.000 2.001 411 D HA 0.212 4.851 4.640 -0.001 0.000 0.348 411 D C 0.632 176.949 176.300 0.029 0.000 1.074 411 D CA 0.282 54.184 54.000 -0.164 0.000 0.928 411 D CB 0.181 40.781 40.800 -0.333 0.000 1.823 411 D HN 0.237 nan 8.370 nan 0.000 0.540 412 F N 1.456 121.416 119.950 0.017 0.000 2.512 412 F HA 0.307 4.834 4.527 -0.000 0.000 0.296 412 F C 2.144 177.950 175.800 0.010 0.000 1.110 412 F CA 0.586 58.594 58.000 0.013 0.000 1.446 412 F CB -0.360 38.646 39.000 0.009 0.000 1.092 412 F HN 0.080 nan 8.300 nan 0.000 0.554 413 E N 0.372 120.667 120.200 0.158 0.000 2.371 413 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 413 E C 2.143 178.788 176.600 0.076 0.000 1.012 413 E CA 0.108 56.564 56.400 0.093 0.000 0.860 413 E CB 0.176 29.909 29.700 0.054 0.000 0.811 413 E HN 0.090 nan 8.360 nan 0.000 0.502 414 R N 0.481 121.030 120.500 0.081 0.000 2.073 414 R HA -0.131 4.208 4.340 -0.001 0.000 0.234 414 R C 2.493 178.847 176.300 0.091 0.000 1.134 414 R CA 1.717 57.864 56.100 0.079 0.000 0.952 414 R CB -0.777 29.568 30.300 0.076 0.000 0.850 414 R HN 0.236 nan 8.270 nan 0.000 0.433 415 V N -1.353 118.618 119.914 0.096 0.000 2.667 415 V HA -0.078 4.042 4.120 -0.001 0.000 0.252 415 V C 2.015 178.117 176.094 0.013 0.000 1.065 415 V CA 1.189 63.526 62.300 0.060 0.000 1.083 415 V CB -0.429 31.433 31.823 0.065 0.000 0.692 415 V HN 0.114 nan 8.190 nan 0.000 0.468 416 I N 1.714 122.304 120.570 0.033 0.000 2.099 416 I HA -0.184 3.986 4.170 -0.001 0.000 0.239 416 I C 2.988 179.102 176.117 -0.005 0.000 1.066 416 I CA 2.211 63.514 61.300 0.007 0.000 1.324 416 I CB -1.662 36.353 38.000 0.026 0.000 1.037 416 I HN 0.435 nan 8.210 nan 0.000 0.401 417 A N 0.603 123.439 122.820 0.026 0.000 1.908 417 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 417 A C 2.422 180.034 177.584 0.047 0.000 1.181 417 A CA 1.433 53.491 52.037 0.035 0.000 0.627 417 A CB -0.876 18.166 19.000 0.070 0.000 0.818 417 A HN 0.424 nan 8.150 nan 0.000 0.445 418 L N -0.929 120.348 121.223 0.089 0.000 2.046 418 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 418 L C 2.557 179.419 176.870 -0.013 0.000 1.077 418 L CA 1.804 56.753 54.840 0.181 0.000 0.747 418 L CB -0.324 41.848 42.059 0.188 0.000 0.896 418 L HN 0.364 nan 8.230 nan 0.000 0.432 419 K N -0.371 119.908 120.400 -0.201 0.000 2.228 419 K HA -0.010 4.310 4.320 -0.001 0.000 0.202 419 K C 2.029 178.537 176.600 -0.152 0.000 1.051 419 K CA 0.975 57.071 56.287 -0.319 0.000 0.960 419 K CB -0.097 32.217 32.500 -0.310 0.000 0.743 419 K HN 0.239 nan 8.250 nan 0.000 0.458 420 A N 1.285 124.031 122.820 -0.124 0.000 2.119 420 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 420 A C 1.570 179.044 177.584 -0.183 0.000 1.152 420 A CA 0.777 52.746 52.037 -0.113 0.000 0.708 420 A CB -0.067 18.888 19.000 -0.074 0.000 0.805 420 A HN 0.164 nan 8.150 nan 0.000 0.460 421 R N -1.056 119.257 120.500 -0.313 0.000 2.468 421 R HA 0.122 4.462 4.340 -0.001 0.000 0.280 421 R C 1.113 176.888 176.300 -0.874 0.000 0.963 421 R CA 0.441 56.169 56.100 -0.620 0.000 1.083 421 R CB -0.126 29.655 30.300 -0.865 0.000 1.200 421 R HN 0.340 nan 8.270 nan 0.000 0.541 422 T N 1.313 115.621 114.554 -0.410 0.000 2.685 422 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 422 T C 1.244 175.818 174.700 -0.210 0.000 1.034 422 T CA 1.630 63.617 62.100 -0.188 0.000 1.149 422 T CB -0.112 68.780 68.868 0.041 0.000 0.860 422 T HN 0.250 nan 8.240 nan 0.000 0.449 423 D N 0.440 120.724 120.400 -0.194 0.000 2.224 423 D HA 0.087 4.727 4.640 -0.001 0.000 0.205 423 D C 2.306 178.535 176.300 -0.119 0.000 0.965 423 D CA 0.864 54.793 54.000 -0.119 0.000 0.852 423 D CB -0.112 40.639 40.800 -0.081 0.000 0.947 423 D HN 0.414 nan 8.370 nan 0.000 0.494 424 A N 0.723 123.407 122.820 -0.227 0.000 1.873 424 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 424 A C 1.874 179.477 177.584 0.032 0.000 1.186 424 A CA 0.876 52.847 52.037 -0.110 0.000 0.616 424 A CB -0.772 18.127 19.000 -0.168 0.000 0.823 424 A HN 0.080 nan 8.150 nan 0.000 0.442 425 F N 0.372 120.198 119.950 -0.207 0.000 2.134 425 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 425 F C 2.860 178.476 175.800 -0.306 0.000 1.097 425 F CA 0.364 58.026 58.000 -0.562 0.000 1.264 425 F CB -1.400 37.134 39.000 -0.777 0.000 1.001 425 F HN 0.277 nan 8.300 nan 0.000 0.479 426 A N -0.272 122.559 122.820 0.018 0.000 1.933 426 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 426 A C 2.395 180.023 177.584 0.073 0.000 1.175 426 A CA 1.622 53.678 52.037 0.031 0.000 0.628 426 A CB -0.661 18.341 19.000 0.004 0.000 0.814 426 A HN 0.275 nan 8.150 nan 0.000 0.444 427 K N -1.089 119.358 120.400 0.079 0.000 2.025 427 K HA -0.200 4.120 4.320 -0.001 0.000 0.207 427 K C 2.102 178.792 176.600 0.151 0.000 1.049 427 K CA 1.451 57.795 56.287 0.095 0.000 0.933 427 K CB -0.441 32.108 32.500 0.081 0.000 0.714 427 K HN 0.720 nan 8.250 nan 0.000 0.438 428 H N 0.803 119.958 119.070 0.141 0.000 2.353 428 H HA -0.148 4.407 4.556 -0.001 0.000 0.300 428 H C 2.086 177.579 175.328 0.276 0.000 1.090 428 H CA 1.475 57.658 56.048 0.225 0.000 1.327 428 H CB 0.078 30.038 29.762 0.331 0.000 1.383 428 H HN 0.140 nan 8.280 nan 0.000 0.508 429 L N 0.917 122.335 121.223 0.324 0.000 2.056 429 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 429 L C 2.374 179.373 176.870 0.215 0.000 1.078 429 L CA 1.969 56.979 54.840 0.283 0.000 0.749 429 L CB -1.042 41.163 42.059 0.243 0.000 0.901 429 L HN 0.182 nan 8.230 nan 0.000 0.433 430 T N -0.483 114.160 114.554 0.149 0.000 2.746 430 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 430 T C 1.476 176.232 174.700 0.093 0.000 1.039 430 T CA 1.525 63.697 62.100 0.119 0.000 1.142 430 T CB -0.285 68.632 68.868 0.082 0.000 0.866 430 T HN 0.362 nan 8.240 nan 0.000 0.444 431 D N 0.323 120.758 120.400 0.059 0.000 2.117 431 D HA 0.044 4.683 4.640 -0.001 0.000 0.198 431 D C 0.824 177.130 176.300 0.009 0.000 0.982 431 D CA 0.360 54.369 54.000 0.016 0.000 0.828 431 D CB -0.439 40.354 40.800 -0.012 0.000 0.967 431 D HN 0.343 nan 8.370 nan 0.000 0.464 435 R N 1.163 121.595 120.500 -0.113 0.000 2.310 435 R HA 0.089 4.428 4.340 -0.001 0.000 0.202 435 R C 1.199 177.391 176.300 -0.180 0.000 0.933 435 R CA 1.581 57.600 56.100 -0.134 0.000 1.054 435 R CB 0.081 30.291 30.300 -0.150 0.000 0.985 435 R HN 0.154 nan 8.270 nan 0.000 0.489 436 T N -3.406 111.014 114.554 -0.223 0.000 3.272 436 T HA 0.115 4.464 4.350 -0.001 0.000 0.247 436 T C -0.272 174.398 174.700 -0.050 0.000 0.990 436 T CA 0.206 62.191 62.100 -0.192 0.000 1.213 436 T CB 0.328 68.950 68.868 -0.410 0.000 1.124 436 T HN 0.118 nan 8.240 nan 0.000 0.401 437 D N -0.011 120.383 120.400 -0.010 0.000 2.300 437 D HA 0.289 4.929 4.640 -0.001 0.000 0.218 437 D C 0.453 176.825 176.300 0.121 0.000 1.326 437 D CA -0.415 53.631 54.000 0.078 0.000 0.942 437 D CB 1.102 41.950 40.800 0.080 0.000 1.495 437 D HN 0.138 nan 8.370 nan 0.000 0.545 438 R N 1.816 122.409 120.500 0.156 0.000 2.293 438 R HA 0.005 4.344 4.340 -0.001 0.000 0.219 438 R C 0.610 176.926 176.300 0.028 0.000 1.091 438 R CA 0.855 57.031 56.100 0.128 0.000 1.004 438 R CB 0.096 30.466 30.300 0.117 0.000 0.865 438 R HN 0.307 nan 8.270 nan 0.000 0.469 439 F N 0.078 120.098 119.950 0.117 0.000 2.668 439 F HA 0.332 4.858 4.527 -0.001 0.000 0.301 439 F C 0.624 176.438 175.800 0.022 0.000 1.106 439 F CA -0.705 57.343 58.000 0.079 0.000 1.289 439 F CB 0.540 39.569 39.000 0.048 0.000 1.006 439 F HN -0.135 nan 8.300 nan 0.000 0.535 440 A N 1.198 124.096 122.820 0.129 0.000 2.451 440 A HA 0.218 4.538 4.320 -0.001 0.000 0.266 440 A C 0.509 178.118 177.584 0.042 0.000 1.119 440 A CA -0.412 51.670 52.037 0.077 0.000 0.786 440 A CB -0.017 19.033 19.000 0.084 0.000 1.061 440 A HN 0.237 nan 8.150 nan 0.000 0.503 441 K N 2.140 122.544 120.400 0.006 0.000 2.447 441 K HA 0.222 4.542 4.320 -0.001 0.000 0.281 441 K C -0.287 176.390 176.600 0.128 0.000 1.031 441 K CA 0.700 57.006 56.287 0.030 0.000 1.019 441 K CB 0.308 32.676 32.500 -0.220 0.000 0.918 441 K HN 0.717 nan 8.250 nan 0.000 0.476 442 T N 3.264 117.932 114.554 0.190 0.000 2.893 442 T HA 0.537 4.886 4.350 -0.001 0.000 0.291 442 T C -0.245 174.468 174.700 0.022 0.000 1.028 442 T CA -0.685 61.484 62.100 0.114 0.000 0.995 442 T CB 1.191 70.085 68.868 0.043 0.000 1.051 442 T HN 0.347 nan 8.240 nan 0.000 0.470 443 I N 2.058 122.608 120.570 -0.034 0.000 2.466 443 I HA 0.497 4.667 4.170 -0.001 0.000 0.289 443 I C -0.879 175.067 176.117 -0.285 0.000 1.026 443 I CA -1.101 60.040 61.300 -0.265 0.000 1.078 443 I CB 2.086 39.918 38.000 -0.280 0.000 1.249 443 I HN 0.255 nan 8.210 nan 0.000 0.429 444 V N 6.432 126.112 119.914 -0.389 0.000 2.357 444 V HA 0.356 4.475 4.120 -0.001 0.000 0.284 444 V C -0.546 175.320 176.094 -0.381 0.000 1.018 444 V CA -0.516 61.634 62.300 -0.249 0.000 0.841 444 V CB 1.172 32.906 31.823 -0.149 0.000 0.991 444 V HN 0.379 nan 8.190 nan 0.000 0.437 445 F N 3.713 123.639 119.950 -0.040 0.000 2.375 445 F HA 0.422 4.949 4.527 -0.001 0.000 0.362 445 F C 0.846 176.647 175.800 0.003 0.000 1.129 445 F CA -0.131 57.852 58.000 -0.028 0.000 1.154 445 F CB 0.455 39.443 39.000 -0.021 0.000 1.205 445 F HN 0.422 nan 8.300 nan 0.000 0.513 446 C N 2.319 121.670 119.300 0.084 0.000 2.328 446 C HA 0.325 4.785 4.460 -0.001 0.000 0.378 446 C C 2.027 177.194 174.990 0.294 0.000 1.249 446 C CA -0.760 58.329 59.018 0.118 0.000 2.204 446 C CB 1.412 29.018 27.740 -0.224 0.000 2.218 446 C HN 0.760 nan 8.230 nan 0.000 0.564 447 V N 1.570 121.808 119.914 0.540 0.000 2.261 447 V HA -0.078 4.042 4.120 -0.001 0.000 0.246 447 V C 0.473 176.673 176.094 0.177 0.000 1.047 447 V CA 2.316 64.780 62.300 0.274 0.000 1.015 447 V CB -0.808 31.087 31.823 0.119 0.000 0.642 447 V HN 1.032 nan 8.190 nan 0.000 0.446 448 D N -3.693 116.817 120.400 0.184 0.000 2.664 448 D HA 0.247 4.886 4.640 -0.001 0.000 0.292 448 D C 0.446 176.805 176.300 0.098 0.000 1.214 448 D CA -0.724 53.341 54.000 0.109 0.000 0.932 448 D CB 0.587 41.429 40.800 0.070 0.000 1.420 448 D HN -0.064 nan 8.370 nan 0.000 0.471 449 Q N -0.270 119.563 119.800 0.056 0.000 2.135 449 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 449 Q C 1.463 177.486 176.000 0.039 0.000 0.981 449 Q CA 1.467 57.289 55.803 0.032 0.000 0.856 449 Q CB 0.003 28.751 28.738 0.017 0.000 0.902 449 Q HN 0.644 nan 8.270 nan 0.000 0.425 450 E N 0.547 120.780 120.200 0.054 0.000 2.077 450 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 450 E C 1.945 178.605 176.600 0.101 0.000 0.989 450 E CA 0.842 57.275 56.400 0.055 0.000 0.800 450 E CB -0.066 29.659 29.700 0.043 0.000 0.746 450 E HN 0.495 nan 8.360 nan 0.000 0.452 451 H N -0.714 118.358 119.070 0.003 0.000 2.353 451 H HA -0.104 4.452 4.556 -0.001 0.000 0.300 451 H C 1.953 177.279 175.328 -0.003 0.000 1.090 451 H CA 1.065 57.118 56.048 0.008 0.000 1.327 451 H CB 0.124 29.904 29.762 0.030 0.000 1.383 451 H HN 0.267 nan 8.280 nan 0.000 0.508 452 A N 0.546 123.355 122.820 -0.019 0.000 1.940 452 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 452 A C 2.080 179.608 177.584 -0.094 0.000 1.176 452 A CA 2.004 53.969 52.037 -0.119 0.000 0.631 452 A CB -0.583 18.363 19.000 -0.090 0.000 0.814 452 A HN 0.640 nan 8.150 nan 0.000 0.446 453 D N -0.396 119.980 120.400 -0.040 0.000 2.149 453 D HA -0.060 4.580 4.640 -0.001 0.000 0.201 453 D C 1.069 177.353 176.300 -0.027 0.000 0.972 453 D CA 0.772 54.752 54.000 -0.033 0.000 0.835 453 D CB -0.048 40.745 40.800 -0.012 0.000 0.966 453 D HN 0.641 nan 8.370 nan 0.000 0.476 457 R N 1.122 121.601 120.500 -0.035 0.000 2.073 457 R HA 0.022 4.362 4.340 -0.001 0.000 0.234 457 R C 1.914 178.208 176.300 -0.011 0.000 1.134 457 R CA 1.993 58.082 56.100 -0.018 0.000 0.952 457 R CB -0.226 30.066 30.300 -0.014 0.000 0.850 457 R HN 0.313 nan 8.270 nan 0.000 0.433 458 A N 1.094 123.905 122.820 -0.015 0.000 1.858 458 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 458 A C 2.027 179.612 177.584 0.001 0.000 1.190 458 A CA 1.175 53.206 52.037 -0.010 0.000 0.617 458 A CB -0.697 18.293 19.000 -0.017 0.000 0.827 458 A HN 0.306 nan 8.150 nan 0.000 0.443 459 L N 1.027 122.251 121.223 0.002 0.000 2.079 459 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 459 L C 2.362 179.266 176.870 0.057 0.000 1.081 459 L CA 2.040 56.898 54.840 0.030 0.000 0.752 459 L CB -1.176 40.891 42.059 0.015 0.000 0.896 459 L HN 0.634 nan 8.230 nan 0.000 0.433 460 N N -0.140 118.585 118.700 0.041 0.000 2.058 460 N HA -0.217 4.522 4.740 -0.001 0.000 0.191 460 N C 1.464 176.985 175.510 0.018 0.000 1.037 460 N CA 1.660 54.741 53.050 0.051 0.000 0.848 460 N CB -0.086 38.418 38.487 0.028 0.000 1.021 460 N HN 0.357 nan 8.380 nan 0.000 0.422 461 N N 0.790 119.494 118.700 0.007 0.000 2.309 461 N HA -0.081 4.658 4.740 -0.001 0.000 0.182 461 N C 1.512 177.018 175.510 -0.007 0.000 1.018 461 N CA 0.299 53.347 53.050 -0.003 0.000 0.876 461 N CB -0.346 38.139 38.487 -0.003 0.000 0.972 461 N HN 0.252 nan 8.380 nan 0.000 0.434 462 L N 0.970 122.194 121.223 0.002 0.000 2.291 462 L HA 0.037 4.376 4.340 -0.001 0.000 0.214 462 L C 0.544 177.404 176.870 -0.017 0.000 1.120 462 L CA 1.244 56.086 54.840 0.003 0.000 0.799 462 L CB -0.590 41.482 42.059 0.022 0.000 0.925 462 L HN 0.199 nan 8.230 nan 0.000 0.446 463 N N -1.466 117.212 118.700 -0.037 0.000 2.416 463 N HA 0.035 4.774 4.740 -0.001 0.000 0.267 463 N C 1.413 176.823 175.510 -0.166 0.000 1.294 463 N CA 0.429 53.399 53.050 -0.133 0.000 0.891 463 N CB 0.687 39.045 38.487 -0.215 0.000 1.238 463 N HN 0.177 nan 8.380 nan 0.000 0.508 464 S N 0.618 116.268 115.700 -0.084 0.000 2.469 464 S HA -0.164 4.305 4.470 -0.001 0.000 0.238 464 S C 1.453 176.009 174.600 -0.073 0.000 0.998 464 S CA 1.009 59.171 58.200 -0.064 0.000 0.957 464 S CB -0.124 63.056 63.200 -0.033 0.000 0.764 464 S HN 0.341 nan 8.310 nan 0.000 0.514 465 D N 1.932 122.280 120.400 -0.086 0.000 2.183 465 D HA -0.077 4.563 4.640 -0.001 0.000 0.203 465 D C 1.896 178.147 176.300 -0.083 0.000 0.969 465 D CA 0.695 54.655 54.000 -0.067 0.000 0.842 465 D CB -0.479 40.290 40.800 -0.052 0.000 0.957 465 D HN 0.495 nan 8.370 nan 0.000 0.484 466 L N 0.265 121.381 121.223 -0.179 0.000 2.249 466 L HA 0.026 4.366 4.340 -0.001 0.000 0.207 466 L C 2.541 179.348 176.870 -0.104 0.000 1.090 466 L CA 0.341 55.066 54.840 -0.192 0.000 0.802 466 L CB -0.216 41.459 42.059 -0.640 0.000 0.947 466 L HN -0.063 nan 8.230 nan 0.000 0.453 467 S N 0.167 115.789 115.700 -0.130 0.000 2.383 467 S HA -0.223 4.246 4.470 -0.001 0.000 0.229 467 S C 2.004 176.610 174.600 0.011 0.000 1.030 467 S CA 1.362 59.558 58.200 -0.007 0.000 1.002 467 S CB -0.305 62.890 63.200 -0.008 0.000 0.829 467 S HN 0.362 nan 8.310 nan 0.000 0.467 468 R N 1.050 121.538 120.500 -0.020 0.000 2.285 468 R HA 0.072 4.412 4.340 -0.001 0.000 0.213 468 R C 2.015 178.289 176.300 -0.044 0.000 1.068 468 R CA 1.057 57.144 56.100 -0.023 0.000 1.004 468 R CB 0.038 30.322 30.300 -0.026 0.000 0.873 468 R HN 0.223 nan 8.270 nan 0.000 0.467 469 K N -1.064 119.295 120.400 -0.069 0.000 2.329 469 K HA 0.057 4.377 4.320 -0.001 0.000 0.198 469 K C -0.290 176.100 176.600 -0.351 0.000 1.085 469 K CA 0.232 56.394 56.287 -0.208 0.000 0.961 469 K CB 0.645 33.008 32.500 -0.228 0.000 0.971 469 K HN 0.234 nan 8.250 nan 0.000 0.502 470 H N 0.586 119.713 119.070 0.095 0.000 2.791 470 H HA 0.196 4.751 4.556 -0.001 0.000 0.272 470 H C -2.324 173.075 175.328 0.119 0.000 1.188 470 H CA -1.876 54.256 56.048 0.140 0.000 1.436 470 H CB 1.810 31.719 29.762 0.244 0.000 1.467 470 H HN 0.024 nan 8.280 nan 0.000 0.500 471 P HA -0.153 nan 4.420 nan 0.000 0.220 471 P C 0.836 178.211 177.300 0.125 0.000 1.144 471 P CA 1.296 64.467 63.100 0.118 0.000 0.800 471 P CB 0.305 32.058 31.700 0.089 0.000 0.772 472 D N -2.492 118.004 120.400 0.159 0.000 2.615 472 D HA -0.034 4.605 4.640 -0.001 0.000 0.236 472 D C 1.141 177.482 176.300 0.068 0.000 1.233 472 D CA -0.824 53.224 54.000 0.080 0.000 0.829 472 D CB -1.003 39.870 40.800 0.121 0.000 1.024 472 D HN 0.134 nan 8.370 nan 0.000 0.490 473 Y N 1.243 121.544 120.300 0.002 0.000 2.128 473 Y HA -0.090 4.460 4.550 -0.001 0.000 0.284 473 Y C 0.332 176.172 175.900 -0.100 0.000 1.154 473 Y CA 1.174 59.243 58.100 -0.053 0.000 1.149 473 Y CB 0.223 38.651 38.460 -0.054 0.000 0.976 473 Y HN -0.081 nan 8.280 nan 0.000 0.505 474 V N 0.154 120.021 119.914 -0.078 0.000 2.715 474 V HA 0.805 4.925 4.120 -0.001 0.000 0.310 474 V C -0.449 175.507 176.094 -0.229 0.000 1.054 474 V CA -0.492 61.692 62.300 -0.194 0.000 0.928 474 V CB 1.092 32.862 31.823 -0.089 0.000 1.007 474 V HN 0.275 nan 8.190 nan 0.000 0.437 475 A N 3.486 126.121 122.820 -0.307 0.000 2.574 475 A HA 0.827 5.147 4.320 -0.001 0.000 0.297 475 A C -0.858 176.541 177.584 -0.308 0.000 1.062 475 A CA -0.826 50.969 52.037 -0.404 0.000 0.686 475 A CB 1.746 20.322 19.000 -0.706 0.000 1.285 475 A HN 0.850 nan 8.150 nan 0.000 0.403 476 R N 1.342 121.704 120.500 -0.230 0.000 2.346 476 R HA 0.643 4.983 4.340 -0.001 0.000 0.311 476 R C -1.735 174.497 176.300 -0.113 0.000 0.983 476 R CA -0.267 55.734 56.100 -0.165 0.000 0.880 476 R CB 1.250 31.485 30.300 -0.109 0.000 1.100 476 R HN 0.448 nan 8.270 nan 0.000 0.453 477 V N 4.795 124.626 119.914 -0.138 0.000 2.304 477 V HA 0.334 4.454 4.120 -0.001 0.000 0.278 477 V C -0.183 175.864 176.094 -0.077 0.000 1.018 477 V CA -0.301 61.944 62.300 -0.092 0.000 0.814 477 V CB 1.220 32.964 31.823 -0.133 0.000 1.021 477 V HN 0.953 nan 8.190 nan 0.000 0.440 478 T N 1.984 116.514 114.554 -0.040 0.000 2.812 478 T HA 0.327 4.677 4.350 -0.001 0.000 0.294 478 T C 1.199 175.893 174.700 -0.010 0.000 1.159 478 T CA 0.302 62.386 62.100 -0.026 0.000 1.008 478 T CB 2.140 70.994 68.868 -0.023 0.000 1.289 478 T HN 0.375 nan 8.240 nan 0.000 0.514 479 S N 0.713 116.411 115.700 -0.003 0.000 2.382 479 S HA -0.080 4.389 4.470 -0.001 0.000 0.228 479 S C 1.712 176.313 174.600 0.001 0.000 1.027 479 S CA 1.440 59.641 58.200 0.001 0.000 0.991 479 S CB -0.361 62.841 63.200 0.004 0.000 0.823 479 S HN 0.771 nan 8.310 nan 0.000 0.469 480 E N 0.827 121.027 120.200 0.001 0.000 2.153 480 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 480 E C 1.527 178.129 176.600 0.003 0.000 0.988 480 E CA 0.716 57.117 56.400 0.002 0.000 0.811 480 E CB -0.026 29.676 29.700 0.002 0.000 0.746 480 E HN 0.332 nan 8.360 nan 0.000 0.466 481 E N 0.305 120.507 120.200 0.004 0.000 2.511 481 E HA -0.007 4.343 4.350 -0.001 0.000 0.196 481 E C 1.199 177.803 176.600 0.006 0.000 1.066 481 E CA 0.483 56.890 56.400 0.012 0.000 0.871 481 E CB -0.292 29.422 29.700 0.024 0.000 0.863 481 E HN 0.302 nan 8.360 nan 0.000 0.520 482 G N 2.510 111.310 108.800 0.000 0.000 2.651 482 G HA2 -0.471 3.489 3.960 -0.001 0.000 0.387 482 G HA3 -0.471 3.489 3.960 -0.001 0.000 0.387 482 G C 1.110 176.001 174.900 -0.014 0.000 1.291 482 G CA 1.157 46.253 45.100 -0.006 0.000 0.958 482 G HN 0.393 nan 8.290 nan 0.000 0.549 483 K N -0.297 120.091 120.400 -0.020 0.000 2.147 483 K HA -0.030 4.289 4.320 -0.001 0.000 0.205 483 K C 2.660 179.224 176.600 -0.060 0.000 1.049 483 K CA 1.553 57.820 56.287 -0.033 0.000 0.936 483 K CB -0.217 32.265 32.500 -0.030 0.000 0.722 483 K HN 0.422 nan 8.250 nan 0.000 0.446 484 I N 0.893 121.426 120.570 -0.060 0.000 2.315 484 I HA -0.126 4.044 4.170 -0.001 0.000 0.248 484 I C 2.472 178.509 176.117 -0.135 0.000 1.117 484 I CA 1.423 62.652 61.300 -0.118 0.000 1.404 484 I CB -1.628 36.339 38.000 -0.055 0.000 1.071 484 I HN 0.327 nan 8.210 nan 0.000 0.419 485 G N 1.563 110.354 108.800 -0.015 0.000 2.446 485 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 485 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 485 G C 1.697 176.601 174.900 0.007 0.000 1.168 485 G CA 0.437 45.563 45.100 0.044 0.000 0.771 485 G HN 0.239 nan 8.290 nan 0.000 0.551 486 K N 0.879 121.265 120.400 -0.024 0.000 2.103 486 K HA -0.083 4.237 4.320 -0.001 0.000 0.207 486 K C 2.653 179.232 176.600 -0.035 0.000 1.048 486 K CA 1.224 57.498 56.287 -0.021 0.000 0.930 486 K CB -1.127 31.359 32.500 -0.024 0.000 0.716 486 K HN 0.307 nan 8.250 nan 0.000 0.444 487 G N 1.607 110.347 108.800 -0.100 0.000 2.421 487 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.216 487 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.216 487 G C 1.377 176.225 174.900 -0.088 0.000 1.171 487 G CA 0.748 45.767 45.100 -0.134 0.000 0.775 487 G HN 0.333 nan 8.290 nan 0.000 0.543 488 H N -0.213 118.854 119.070 -0.005 0.000 2.353 488 H HA -0.033 4.522 4.556 -0.001 0.000 0.300 488 H C 2.530 177.867 175.328 0.015 0.000 1.090 488 H CA 1.344 57.390 56.048 -0.005 0.000 1.327 488 H CB -0.609 29.126 29.762 -0.045 0.000 1.383 488 H HN 0.308 nan 8.280 nan 0.000 0.508 489 L N 0.353 121.646 121.223 0.117 0.000 2.017 489 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 489 L C 2.675 179.628 176.870 0.139 0.000 1.073 489 L CA 1.853 56.745 54.840 0.087 0.000 0.745 489 L CB -0.906 41.171 42.059 0.030 0.000 0.894 489 L HN 0.101 nan 8.230 nan 0.000 0.432 490 S N -0.569 115.178 115.700 0.078 0.000 2.365 490 S HA -0.240 4.229 4.470 -0.001 0.000 0.225 490 S C 2.167 176.802 174.600 0.058 0.000 1.039 490 S CA 1.687 59.917 58.200 0.051 0.000 1.033 490 S CB -0.246 62.963 63.200 0.015 0.000 0.887 490 S HN 0.575 nan 8.310 nan 0.000 0.447 491 R N -0.777 119.770 120.500 0.079 0.000 2.092 491 R HA -0.009 4.330 4.340 -0.001 0.000 0.231 491 R C 2.147 178.497 176.300 0.083 0.000 1.119 491 R CA 1.449 57.590 56.100 0.068 0.000 0.970 491 R CB -0.597 29.757 30.300 0.089 0.000 0.864 491 R HN 0.549 nan 8.270 nan 0.000 0.440 492 F N 2.421 122.359 119.950 -0.020 0.000 2.126 492 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 492 F C 2.100 177.864 175.800 -0.060 0.000 1.096 492 F CA 1.604 59.577 58.000 -0.045 0.000 1.255 492 F CB -0.068 38.901 39.000 -0.052 0.000 0.997 492 F HN -0.054 nan 8.300 nan 0.000 0.479 493 Q N 0.302 120.100 119.800 -0.004 0.000 2.291 493 Q HA -0.100 4.240 4.340 -0.001 0.000 0.205 493 Q C 0.126 176.016 176.000 -0.183 0.000 0.970 493 Q CA 0.669 56.403 55.803 -0.115 0.000 0.876 493 Q CB -0.271 28.474 28.738 0.013 0.000 0.935 493 Q HN 0.529 nan 8.270 nan 0.000 0.455 494 E N 1.039 121.149 120.200 -0.151 0.000 2.384 494 E HA -0.013 4.337 4.350 -0.001 0.000 0.266 494 E C 0.845 177.285 176.600 -0.266 0.000 1.012 494 E CA -0.189 56.109 56.400 -0.170 0.000 0.901 494 E CB 0.826 30.460 29.700 -0.109 0.000 0.967 494 E HN 0.231 nan 8.360 nan 0.000 0.435 495 L N 1.826 122.837 121.223 -0.353 0.000 2.083 495 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 495 L C 2.085 178.599 176.870 -0.592 0.000 1.083 495 L CA 1.227 55.699 54.840 -0.614 0.000 0.752 495 L CB -0.330 41.128 42.059 -1.001 0.000 0.899 495 L HN 0.529 nan 8.230 nan 0.000 0.433 496 E N -0.009 119.972 120.200 -0.366 0.000 2.478 496 E HA -0.025 4.325 4.350 -0.001 0.000 0.194 496 E C 0.537 177.087 176.600 -0.083 0.000 1.045 496 E CA 0.050 56.352 56.400 -0.163 0.000 0.868 496 E CB 0.275 29.935 29.700 -0.066 0.000 0.885 496 E HN 0.418 nan 8.360 nan 0.000 0.505 497 T N -1.926 112.569 114.554 -0.099 0.000 2.882 497 T HA 0.235 4.585 4.350 -0.001 0.000 0.287 497 T C 1.105 175.786 174.700 -0.033 0.000 0.992 497 T CA -0.144 61.930 62.100 -0.043 0.000 1.076 497 T CB 1.715 70.566 68.868 -0.029 0.000 0.961 497 T HN 0.011 nan 8.240 nan 0.000 0.490 498 S N 0.910 116.616 115.700 0.009 0.000 2.503 498 S HA 0.202 4.671 4.470 -0.001 0.000 0.217 498 S C 0.905 175.572 174.600 0.112 0.000 0.999 498 S CA 0.198 58.431 58.200 0.055 0.000 0.914 498 S CB -0.476 62.718 63.200 -0.009 0.000 0.782 498 S HN 1.169 nan 8.310 nan 0.000 0.520 499 T N -1.358 113.238 114.554 0.069 0.000 2.883 499 T HA 0.668 5.017 4.350 -0.001 0.000 0.301 499 T C -3.550 171.210 174.700 0.100 0.000 1.158 499 T CA -2.148 59.991 62.100 0.065 0.000 1.007 499 T CB 1.376 70.288 68.868 0.073 0.000 1.186 499 T HN -0.161 nan 8.240 nan 0.000 0.499 500 P HA 0.225 nan 4.420 nan 0.000 0.268 500 P C 0.539 177.853 177.300 0.023 0.000 1.208 500 P CA -0.426 62.683 63.100 0.015 0.000 0.777 500 P CB 0.554 32.233 31.700 -0.036 0.000 0.875 501 V N 1.598 121.355 119.914 -0.263 0.000 2.672 501 V HA 0.067 4.186 4.120 -0.001 0.000 0.242 501 V C 0.835 176.824 176.094 -0.176 0.000 1.059 501 V CA 1.164 63.293 62.300 -0.285 0.000 1.081 501 V CB -0.197 31.174 31.823 -0.753 0.000 0.752 501 V HN 0.396 nan 8.190 nan 0.000 0.472 502 I N 1.626 121.973 120.570 -0.373 0.000 2.406 502 I HA 0.455 4.624 4.170 -0.001 0.000 0.290 502 I C -0.699 175.193 176.117 -0.376 0.000 0.999 502 I CA -0.325 60.791 61.300 -0.307 0.000 1.124 502 I CB 1.438 39.256 38.000 -0.302 0.000 1.289 502 I HN 0.040 nan 8.210 nan 0.000 0.441 503 L N 5.442 126.369 121.223 -0.493 0.000 2.346 503 L HA 0.558 4.898 4.340 -0.001 0.000 0.276 503 L C 0.320 176.921 176.870 -0.447 0.000 1.006 503 L CA -0.496 54.009 54.840 -0.558 0.000 0.817 503 L CB 2.342 43.874 42.059 -0.878 0.000 1.272 503 L HN 0.692 nan 8.230 nan 0.000 0.421 504 T N -1.266 113.074 114.554 -0.357 0.000 2.888 504 T HA 0.726 5.076 4.350 -0.001 0.000 0.284 504 T C -0.339 174.180 174.700 -0.302 0.000 1.017 504 T CA -0.582 61.327 62.100 -0.319 0.000 1.022 504 T CB 2.475 71.201 68.868 -0.237 0.000 1.013 504 T HN 0.637 nan 8.240 nan 0.000 0.465 505 T N -0.316 114.054 114.554 -0.307 0.000 2.665 505 T HA 0.625 4.975 4.350 -0.001 0.000 0.303 505 T C 0.396 175.035 174.700 -0.102 0.000 1.334 505 T CA 0.143 62.117 62.100 -0.209 0.000 1.011 505 T CB 1.076 69.785 68.868 -0.265 0.000 1.573 505 T HN 0.919 nan 8.240 nan 0.000 0.492 506 S N 0.104 115.808 115.700 0.007 0.000 3.526 506 S HA 0.244 4.714 4.470 -0.001 0.000 0.222 506 S C 1.389 176.094 174.600 0.176 0.000 1.001 506 S CA 0.016 58.278 58.200 0.102 0.000 0.831 506 S CB -0.161 63.087 63.200 0.080 0.000 0.941 506 S HN 0.535 nan 8.310 nan 0.000 0.585 507 Q N 0.384 120.254 119.800 0.116 0.000 2.548 507 Q HA 0.449 4.789 4.340 -0.001 0.000 0.230 507 Q C 1.895 177.956 176.000 0.102 0.000 0.899 507 Q CA 0.392 56.260 55.803 0.109 0.000 0.936 507 Q CB -0.561 28.214 28.738 0.062 0.000 1.114 507 Q HN 0.326 nan 8.270 nan 0.000 0.606 508 L N 0.535 121.796 121.223 0.063 0.000 2.085 508 L HA -0.174 4.165 4.340 -0.001 0.000 0.218 508 L C 1.337 178.246 176.870 0.064 0.000 1.080 508 L CA 1.831 56.697 54.840 0.044 0.000 0.776 508 L CB -0.292 41.775 42.059 0.013 0.000 0.891 508 L HN 0.356 nan 8.230 nan 0.000 0.437 509 L N -1.096 120.187 121.223 0.101 0.000 2.611 509 L HA 0.024 4.363 4.340 -0.001 0.000 0.229 509 L C 2.061 179.109 176.870 0.297 0.000 1.137 509 L CA 0.647 55.568 54.840 0.136 0.000 0.901 509 L CB -1.059 40.997 42.059 -0.004 0.000 1.098 509 L HN 0.425 nan 8.230 nan 0.000 0.456 510 T N -3.311 111.394 114.554 0.252 0.000 2.746 510 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 510 T C 1.589 176.305 174.700 0.028 0.000 1.039 510 T CA 1.934 64.076 62.100 0.068 0.000 1.142 510 T CB -0.442 68.400 68.868 -0.043 0.000 0.866 510 T HN 0.415 nan 8.240 nan 0.000 0.444 511 T N -2.666 111.913 114.554 0.041 0.000 3.091 511 T HA 0.509 4.858 4.350 -0.001 0.000 0.277 511 T C 1.858 176.582 174.700 0.040 0.000 0.996 511 T CA 0.252 62.368 62.100 0.027 0.000 0.897 511 T CB 0.259 69.134 68.868 0.012 0.000 1.109 511 T HN 0.399 nan 8.240 nan 0.000 0.534 512 G N 1.655 110.488 108.800 0.056 0.000 2.494 512 G HA2 0.300 4.260 3.960 -0.001 0.000 0.216 512 G HA3 0.300 4.260 3.960 -0.001 0.000 0.216 512 G C 0.428 175.357 174.900 0.049 0.000 1.140 512 G CA 0.448 45.575 45.100 0.045 0.000 0.801 512 G HN 0.569 nan 8.290 nan 0.000 0.536 513 V N 0.329 120.284 119.914 0.069 0.000 2.481 513 V HA 0.525 4.645 4.120 -0.001 0.000 0.286 513 V C -1.013 175.124 176.094 0.072 0.000 1.042 513 V CA -1.042 61.310 62.300 0.086 0.000 0.928 513 V CB 1.825 33.725 31.823 0.129 0.000 0.986 513 V HN 0.085 nan 8.190 nan 0.000 0.462 514 D N 3.125 123.562 120.400 0.063 0.000 2.400 514 D HA 0.596 5.236 4.640 -0.001 0.000 0.272 514 D C -0.342 175.962 176.300 0.007 0.000 1.220 514 D CA -0.024 53.993 54.000 0.027 0.000 0.897 514 D CB 0.889 41.699 40.800 0.016 0.000 1.134 514 D HN 0.934 nan 8.370 nan 0.000 0.507 515 A N 4.103 126.920 122.820 -0.006 0.000 2.483 515 A HA 0.486 4.805 4.320 -0.001 0.000 0.308 515 A C -1.707 175.798 177.584 -0.132 0.000 1.291 515 A CA -1.066 50.909 52.037 -0.103 0.000 0.774 515 A CB 1.313 20.220 19.000 -0.156 0.000 1.134 515 A HN 0.357 nan 8.150 nan 0.000 0.471 516 P HA -0.164 nan 4.420 nan 0.000 0.216 516 P C 1.151 178.382 177.300 -0.114 0.000 1.150 516 P CA 1.942 64.985 63.100 -0.096 0.000 0.837 516 P CB -0.189 31.476 31.700 -0.059 0.000 0.786 517 T N -3.478 110.974 114.554 -0.170 0.000 3.252 517 T HA 0.045 4.395 4.350 -0.001 0.000 0.250 517 T C 0.895 175.492 174.700 -0.173 0.000 1.123 517 T CA -0.448 61.560 62.100 -0.154 0.000 1.006 517 T CB -1.798 66.961 68.868 -0.182 0.000 0.992 517 T HN 0.072 nan 8.240 nan 0.000 0.547 518 C N 2.388 121.581 119.300 -0.179 0.000 2.651 518 C HA 0.297 4.757 4.460 -0.001 0.000 0.410 518 C C 1.483 176.441 174.990 -0.054 0.000 1.372 518 C CA -0.257 58.697 59.018 -0.108 0.000 1.707 518 C CB -0.710 27.006 27.740 -0.041 0.000 2.501 518 C HN 0.646 nan 8.230 nan 0.000 0.598 519 K N 3.083 123.484 120.400 0.002 0.000 2.367 519 K HA 0.196 4.515 4.320 -0.001 0.000 0.195 519 K C -0.133 176.559 176.600 0.154 0.000 1.060 519 K CA 0.235 56.543 56.287 0.035 0.000 1.022 519 K CB 0.197 32.672 32.500 -0.042 0.000 0.894 519 K HN 0.626 nan 8.250 nan 0.000 0.540 520 N N 0.860 119.659 118.700 0.166 0.000 2.352 520 N HA 0.226 4.965 4.740 -0.001 0.000 0.291 520 N C -1.452 174.169 175.510 0.186 0.000 1.040 520 N CA -0.384 52.787 53.050 0.202 0.000 0.864 520 N CB 2.730 41.318 38.487 0.169 0.000 1.440 520 N HN -0.261 nan 8.380 nan 0.000 0.483 521 V N 2.346 122.395 119.914 0.226 0.000 2.350 521 V HA 0.389 4.508 4.120 -0.001 0.000 0.285 521 V C -0.204 175.988 176.094 0.163 0.000 1.014 521 V CA -0.691 61.737 62.300 0.214 0.000 0.831 521 V CB 1.658 33.623 31.823 0.237 0.000 1.000 521 V HN 0.329 nan 8.190 nan 0.000 0.433 522 V N 6.699 126.718 119.914 0.175 0.000 2.398 522 V HA 0.473 4.592 4.120 -0.001 0.000 0.286 522 V C -0.119 176.109 176.094 0.223 0.000 1.026 522 V CA -0.595 61.796 62.300 0.152 0.000 0.868 522 V CB 1.776 33.683 31.823 0.140 0.000 0.982 522 V HN 0.619 nan 8.190 nan 0.000 0.443 523 L N 4.470 125.786 121.223 0.155 0.000 2.255 523 L HA 0.679 5.019 4.340 -0.001 0.000 0.289 523 L C 0.569 177.541 176.870 0.169 0.000 1.046 523 L CA -0.202 54.734 54.840 0.160 0.000 0.816 523 L CB 1.340 43.453 42.059 0.091 0.000 1.197 523 L HN 0.790 nan 8.230 nan 0.000 0.427 524 A N 5.199 128.137 122.820 0.197 0.000 2.795 524 A HA 0.444 4.764 4.320 -0.001 0.000 0.282 524 A C 0.040 177.803 177.584 0.299 0.000 0.964 524 A CA -0.478 51.687 52.037 0.212 0.000 1.045 524 A CB 0.152 19.273 19.000 0.203 0.000 1.174 524 A HN 0.810 nan 8.150 nan 0.000 0.493 525 R N -1.862 118.777 120.500 0.232 0.000 2.752 525 R HA 0.675 5.015 4.340 -0.001 0.000 0.271 525 R C -1.803 174.601 176.300 0.174 0.000 1.026 525 R CA -0.762 55.470 56.100 0.220 0.000 0.901 525 R CB 1.063 31.494 30.300 0.219 0.000 1.243 525 R HN -0.077 nan 8.270 nan 0.000 0.463 526 V N 2.168 122.177 119.914 0.159 0.000 2.389 526 V HA 0.176 4.296 4.120 -0.001 0.000 0.264 526 V C -0.043 176.137 176.094 0.144 0.000 1.049 526 V CA -0.487 61.904 62.300 0.152 0.000 0.932 526 V CB 1.182 33.090 31.823 0.141 0.000 1.011 526 V HN 0.450 nan 8.190 nan 0.000 0.475 527 V N 5.570 125.587 119.914 0.170 0.000 2.432 527 V HA 0.204 4.324 4.120 -0.001 0.000 0.271 527 V C 1.194 177.391 176.094 0.173 0.000 1.046 527 V CA -0.175 62.185 62.300 0.100 0.000 0.945 527 V CB 1.149 32.995 31.823 0.038 0.000 0.992 527 V HN 0.899 nan 8.190 nan 0.000 0.471 528 N N 2.401 121.163 118.700 0.104 0.000 2.280 528 N HA 0.066 4.806 4.740 -0.001 0.000 0.192 528 N C 0.330 175.934 175.510 0.157 0.000 1.109 528 N CA 0.455 53.600 53.050 0.159 0.000 0.855 528 N CB 0.681 39.238 38.487 0.117 0.000 0.974 528 N HN 0.835 nan 8.380 nan 0.000 0.482 532 E N 1.040 121.165 120.200 -0.125 0.000 2.072 532 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 532 E C 1.741 178.191 176.600 -0.250 0.000 0.985 532 E CA 1.298 57.599 56.400 -0.166 0.000 0.801 532 E CB -0.191 29.420 29.700 -0.148 0.000 0.750 532 E HN 0.437 nan 8.360 nan 0.000 0.452 533 F N 1.817 121.476 119.950 -0.485 0.000 2.069 533 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 533 F C 1.982 177.598 175.800 -0.308 0.000 1.113 533 F CA 1.723 59.422 58.000 -0.501 0.000 1.214 533 F CB -0.012 38.519 39.000 -0.781 0.000 0.978 533 F HN -0.118 nan 8.300 nan 0.000 0.474 534 K N -0.254 120.065 120.400 -0.134 0.000 2.209 534 K HA -0.189 4.131 4.320 -0.001 0.000 0.204 534 K C 2.053 178.542 176.600 -0.185 0.000 1.048 534 K CA 1.513 57.722 56.287 -0.130 0.000 0.940 534 K CB -0.276 32.213 32.500 -0.019 0.000 0.729 534 K HN 0.496 nan 8.250 nan 0.000 0.451 535 Q N 0.496 120.175 119.800 -0.200 0.000 2.123 535 Q HA -0.048 4.292 4.340 -0.001 0.000 0.199 535 Q C 2.137 177.974 176.000 -0.272 0.000 0.966 535 Q CA 0.944 56.642 55.803 -0.176 0.000 0.845 535 Q CB 0.006 28.658 28.738 -0.143 0.000 0.907 535 Q HN 0.303 nan 8.270 nan 0.000 0.439 536 I N -0.098 120.197 120.570 -0.458 0.000 2.142 536 I HA -0.260 3.910 4.170 -0.001 0.000 0.240 536 I C 2.143 177.996 176.117 -0.439 0.000 1.078 536 I CA 0.927 61.829 61.300 -0.664 0.000 1.343 536 I CB -0.232 37.213 38.000 -0.924 0.000 1.046 536 I HN 0.033 nan 8.210 nan 0.000 0.405 537 V N 1.038 120.651 119.914 -0.500 0.000 2.469 537 V HA -0.217 3.903 4.120 -0.001 0.000 0.251 537 V C 2.326 178.315 176.094 -0.176 0.000 1.064 537 V CA 1.983 64.085 62.300 -0.331 0.000 1.066 537 V CB -1.280 30.259 31.823 -0.474 0.000 0.667 537 V HN 0.615 nan 8.190 nan 0.000 0.461 538 G N -0.629 108.070 108.800 -0.169 0.000 2.776 538 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.209 538 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.209 538 G C 1.552 176.367 174.900 -0.141 0.000 1.145 538 G CA -0.126 44.907 45.100 -0.110 0.000 0.791 538 G HN 0.278 nan 8.290 nan 0.000 0.530 539 R N 0.389 120.796 120.500 -0.154 0.000 2.193 539 R HA 0.025 4.364 4.340 -0.001 0.000 0.213 539 R C 2.253 178.416 176.300 -0.229 0.000 1.055 539 R CA 0.832 56.877 56.100 -0.091 0.000 0.995 539 R CB -0.469 29.868 30.300 0.062 0.000 0.893 539 R HN 0.317 nan 8.270 nan 0.000 0.459 540 G N -0.352 108.118 108.800 -0.549 0.000 3.192 540 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.239 540 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.239 540 G C 0.986 175.139 174.900 -1.244 0.000 1.084 540 G CA 0.356 44.846 45.100 -1.017 0.000 0.784 540 G HN 0.345 nan 8.290 nan 0.000 0.540 541 T N -1.484 112.655 114.554 -0.691 0.000 3.118 541 T HA 0.152 4.502 4.350 -0.001 0.000 0.260 541 T C 1.221 175.914 174.700 -0.012 0.000 1.139 541 T CA -0.238 61.763 62.100 -0.166 0.000 1.085 541 T CB 0.265 69.172 68.868 0.064 0.000 0.934 541 T HN 0.122 nan 8.240 nan 0.000 0.518 542 R N 0.889 121.345 120.500 -0.074 0.000 2.491 542 R HA 0.500 4.840 4.340 -0.001 0.000 0.283 542 R C -0.505 175.820 176.300 0.041 0.000 1.072 542 R CA -0.363 55.741 56.100 0.007 0.000 1.048 542 R CB 0.108 30.395 30.300 -0.022 0.000 0.983 542 R HN 0.365 nan 8.270 nan 0.000 0.450 543 L N 4.105 125.383 121.223 0.092 0.000 2.343 543 L HA 0.524 4.864 4.340 -0.001 0.000 0.275 543 L C 0.524 177.446 176.870 0.088 0.000 1.056 543 L CA -0.577 54.326 54.840 0.105 0.000 0.804 543 L CB 1.247 43.389 42.059 0.139 0.000 1.203 543 L HN 0.523 nan 8.230 nan 0.000 0.440 544 R N 1.914 122.465 120.500 0.086 0.000 2.672 544 R HA 0.043 4.382 4.340 -0.001 0.000 0.228 544 R C 0.552 176.910 176.300 0.097 0.000 1.501 544 R CA -0.110 56.052 56.100 0.104 0.000 1.514 544 R CB 0.498 30.865 30.300 0.111 0.000 1.489 544 R HN 0.752 nan 8.270 nan 0.000 0.747 545 E N 0.257 120.498 120.200 0.069 0.000 2.171 545 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 545 E C 0.827 177.427 176.600 -0.001 0.000 0.997 545 E CA 1.938 58.360 56.400 0.037 0.000 0.810 545 E CB 0.287 30.003 29.700 0.027 0.000 0.738 545 E HN 0.273 nan 8.360 nan 0.000 0.467 546 D N -0.449 119.949 120.400 -0.004 0.000 2.133 546 D HA -0.212 4.427 4.640 -0.001 0.000 0.192 546 D C 0.437 176.549 176.300 -0.313 0.000 1.001 546 D CA 1.246 55.172 54.000 -0.124 0.000 0.844 546 D CB -0.112 40.672 40.800 -0.026 0.000 0.944 546 D HN 0.331 nan 8.370 nan 0.000 0.447 547 Y N -1.008 119.284 120.300 -0.015 0.000 2.801 547 Y HA 0.387 4.937 4.550 -0.001 0.000 0.318 547 Y C 1.451 177.337 175.900 -0.025 0.000 1.073 547 Y CA 0.045 58.131 58.100 -0.024 0.000 1.360 547 Y CB 0.832 39.270 38.460 -0.037 0.000 1.220 547 Y HN 0.112 nan 8.280 nan 0.000 0.536 548 G N 0.842 109.664 108.800 0.038 0.000 2.168 548 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.257 548 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.257 548 G C 0.257 175.172 174.900 0.024 0.000 0.997 548 G CA 0.325 45.444 45.100 0.032 0.000 0.708 548 G HN 0.271 nan 8.290 nan 0.000 0.520 549 K N 0.537 120.962 120.400 0.042 0.000 2.266 549 K HA 0.699 5.018 4.320 -0.001 0.000 0.274 549 K C 0.994 177.625 176.600 0.053 0.000 1.090 549 K CA -0.730 55.566 56.287 0.015 0.000 0.925 549 K CB 0.118 32.632 32.500 0.025 0.000 1.225 549 K HN 0.164 nan 8.250 nan 0.000 0.458 550 L N 3.046 124.305 121.223 0.060 0.000 2.803 550 L HA 0.448 4.787 4.340 -0.001 0.000 0.246 550 L C 0.056 177.147 176.870 0.368 0.000 1.100 550 L CA -0.450 54.503 54.840 0.189 0.000 0.919 550 L CB 0.186 42.379 42.059 0.223 0.000 1.285 550 L HN 0.640 nan 8.230 nan 0.000 0.522 551 W N -0.189 121.262 121.300 0.251 0.000 2.959 551 W HA 0.567 5.227 4.660 -0.001 0.000 0.358 551 W C -1.911 174.883 176.519 0.458 0.000 1.228 551 W CA -1.228 56.335 57.345 0.363 0.000 1.183 551 W CB 0.859 30.549 29.460 0.383 0.000 1.467 551 W HN -0.108 nan 8.180 nan 0.000 0.578 552 F N 0.174 120.353 119.950 0.382 0.000 2.685 552 F HA 0.639 5.166 4.527 -0.001 0.000 0.315 552 F C -1.173 174.858 175.800 0.385 0.000 1.126 552 F CA -1.662 56.433 58.000 0.158 0.000 0.950 552 F CB 0.935 39.999 39.000 0.107 0.000 1.360 552 F HN 0.225 nan 8.300 nan 0.000 0.469 553 N N 1.300 120.184 118.700 0.307 0.000 2.417 553 N HA 0.564 5.303 4.740 -0.001 0.000 0.300 553 N C -1.342 174.258 175.510 0.150 0.000 1.102 553 N CA -0.369 52.810 53.050 0.216 0.000 0.886 553 N CB 2.659 41.383 38.487 0.396 0.000 1.203 553 N HN 0.611 nan 8.380 nan 0.000 0.496 554 I N 2.651 123.218 120.570 -0.006 0.000 2.437 554 I HA 0.278 4.447 4.170 -0.001 0.000 0.279 554 I C -0.667 175.413 176.117 -0.061 0.000 1.028 554 I CA -0.664 60.632 61.300 -0.007 0.000 1.142 554 I CB 0.884 38.836 38.000 -0.079 0.000 1.266 554 I HN 0.251 nan 8.210 nan 0.000 0.461 555 I N 5.505 126.027 120.570 -0.081 0.000 2.312 555 I HA 0.167 4.337 4.170 -0.001 0.000 0.291 555 I C 0.157 176.094 176.117 -0.299 0.000 1.031 555 I CA 0.094 61.256 61.300 -0.230 0.000 1.293 555 I CB 0.512 38.303 38.000 -0.349 0.000 1.403 555 I HN 0.371 nan 8.210 nan 0.000 0.484 556 D N 5.474 125.675 120.400 -0.332 0.000 2.427 556 D HA 0.187 4.827 4.640 -0.001 0.000 0.226 556 D C 0.048 176.100 176.300 -0.414 0.000 1.076 556 D CA -0.209 53.641 54.000 -0.249 0.000 0.849 556 D CB 0.575 41.324 40.800 -0.085 0.000 1.052 556 D HN 0.346 nan 8.370 nan 0.000 0.515 557 Y N 1.024 121.171 120.300 -0.254 0.000 2.462 557 Y HA -0.002 4.547 4.550 -0.001 0.000 0.261 557 Y C 2.490 178.182 175.900 -0.348 0.000 1.146 557 Y CA 0.549 58.342 58.100 -0.512 0.000 1.283 557 Y CB 0.228 38.004 38.460 -1.140 0.000 1.090 557 Y HN 0.428 nan 8.280 nan 0.000 0.526 558 T N -3.676 110.860 114.554 -0.031 0.000 2.951 558 T HA 0.085 4.435 4.350 -0.001 0.000 0.268 558 T C 1.812 176.534 174.700 0.037 0.000 1.073 558 T CA 0.784 62.911 62.100 0.045 0.000 1.134 558 T CB -0.601 68.321 68.868 0.090 0.000 0.884 558 T HN 0.440 nan 8.240 nan 0.000 0.479 559 G N 0.717 109.517 108.800 -0.001 0.000 2.272 559 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.280 559 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.280 559 G C 0.559 175.461 174.900 0.003 0.000 1.067 559 G CA 0.744 45.844 45.100 -0.000 0.000 0.902 559 G HN 1.759 nan 8.290 nan 0.000 0.500 560 S N -3.983 111.719 115.700 0.005 0.000 1.610 560 S HA 0.353 4.822 4.470 -0.001 0.000 0.134 560 S C 2.241 176.828 174.600 -0.021 0.000 0.563 560 S CA 1.425 59.613 58.200 -0.020 0.000 1.548 560 S CB -1.010 62.174 63.200 -0.027 0.000 0.843 560 S HN 1.880 nan 8.310 nan 0.000 0.275 561 A N 2.796 125.658 122.820 0.070 0.000 1.896 561 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 561 A C 2.451 180.085 177.584 0.083 0.000 1.206 561 A CA 3.579 55.730 52.037 0.192 0.000 0.647 561 A CB -2.135 17.072 19.000 0.345 0.000 0.828 561 A HN 1.500 nan 8.150 nan 0.000 0.455 562 T N -2.455 112.182 114.554 0.137 0.000 2.977 562 T HA -0.135 4.215 4.350 -0.001 0.000 0.271 562 T C 1.689 176.366 174.700 -0.038 0.000 1.105 562 T CA 1.563 63.731 62.100 0.112 0.000 1.116 562 T CB -0.286 68.676 68.868 0.157 0.000 0.878 562 T HN 0.686 nan 8.240 nan 0.000 0.509 563 Q N 0.318 120.070 119.800 -0.080 0.000 2.226 563 Q HA 0.118 4.458 4.340 -0.001 0.000 0.199 563 Q C 2.388 178.261 176.000 -0.212 0.000 0.945 563 Q CA 0.372 56.112 55.803 -0.105 0.000 0.861 563 Q CB -0.169 28.522 28.738 -0.079 0.000 0.953 563 Q HN 0.447 nan 8.270 nan 0.000 0.490 564 N N 0.549 119.059 118.700 -0.317 0.000 2.069 564 N HA -0.109 4.631 4.740 -0.001 0.000 0.191 564 N C 0.654 175.695 175.510 -0.783 0.000 1.031 564 N CA 1.205 53.912 53.050 -0.572 0.000 0.852 564 N CB 0.083 38.118 38.487 -0.753 0.000 1.018 564 N HN 0.116 nan 8.380 nan 0.000 0.423 565 F N 0.930 120.571 119.950 -0.515 0.000 2.668 565 F HA 0.405 4.932 4.527 -0.000 0.000 0.297 565 F C 0.779 176.270 175.800 -0.516 0.000 1.124 565 F CA -0.683 56.916 58.000 -0.668 0.000 1.353 565 F CB -0.324 37.873 39.000 -1.339 0.000 0.992 565 F HN -0.116 nan 8.300 nan 0.000 0.524 566 A N 0.667 123.356 122.820 -0.217 0.000 2.546 566 A HA 0.214 4.533 4.320 -0.001 0.000 0.243 566 A C 0.074 177.626 177.584 -0.054 0.000 1.063 566 A CA 0.422 52.408 52.037 -0.085 0.000 0.757 566 A CB -0.086 18.880 19.000 -0.057 0.000 0.991 566 A HN 0.247 nan 8.150 nan 0.000 0.503 567 D N 3.133 123.528 120.400 -0.007 0.000 2.472 567 D HA 0.348 4.987 4.640 -0.001 0.000 0.248 567 D C -2.348 173.928 176.300 -0.040 0.000 1.271 567 D CA -1.354 52.646 54.000 -0.001 0.000 0.888 567 D CB 1.301 42.144 40.800 0.071 0.000 1.337 567 D HN 0.125 nan 8.370 nan 0.000 0.526 568 P HA -0.025 nan 4.420 nan 0.000 0.219 568 P C 0.845 178.015 177.300 -0.216 0.000 1.150 568 P CA 0.626 63.479 63.100 -0.412 0.000 0.814 568 P CB 0.577 31.811 31.700 -0.777 0.000 0.787 569 D N -1.463 118.884 120.400 -0.088 0.000 2.097 569 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 569 D C 1.592 177.904 176.300 0.021 0.000 0.989 569 D CA 1.204 55.191 54.000 -0.021 0.000 0.827 569 D CB -0.744 40.066 40.800 0.017 0.000 0.966 569 D HN 0.160 nan 8.370 nan 0.000 0.456 570 F N 0.975 120.881 119.950 -0.073 0.000 2.446 570 F HA -0.004 4.523 4.527 -0.001 0.000 0.292 570 F C 1.336 177.112 175.800 -0.041 0.000 1.096 570 F CA 0.690 58.655 58.000 -0.058 0.000 1.438 570 F CB 0.473 39.451 39.000 -0.037 0.000 1.107 570 F HN -0.210 nan 8.300 nan 0.000 0.546 571 D N -0.266 120.180 120.400 0.076 0.000 2.392 571 D HA 0.243 4.883 4.640 -0.001 0.000 0.206 571 D C 1.442 177.753 176.300 0.019 0.000 1.046 571 D CA 1.071 55.118 54.000 0.078 0.000 0.865 571 D CB -0.152 40.779 40.800 0.218 0.000 0.969 571 D HN 0.321 nan 8.370 nan 0.000 0.509 572 G N 0.356 109.090 108.800 -0.109 0.000 2.782 572 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.228 572 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.228 572 G C -0.947 173.816 174.900 -0.229 0.000 1.372 572 G CA -0.749 44.251 45.100 -0.167 0.000 0.862 572 G HN 0.148 nan 8.290 nan 0.000 0.547 573 Y N 1.092 121.387 120.300 -0.007 0.000 2.403 573 Y HA 0.602 5.152 4.550 -0.001 0.000 0.323 573 Y C -0.944 174.877 175.900 -0.132 0.000 1.226 573 Y CA -1.088 57.003 58.100 -0.015 0.000 1.235 573 Y CB 1.183 39.621 38.460 -0.035 0.000 1.248 573 Y HN 0.574 nan 8.280 nan 0.000 0.489 574 P HA 0.119 nan 4.420 nan 0.000 0.279 574 P C -0.217 176.945 177.300 -0.229 0.000 1.252 574 P CA -0.311 62.604 63.100 -0.309 0.000 0.811 574 P CB 1.496 33.179 31.700 -0.028 0.000 1.035 575 E N 0.651 120.648 120.200 -0.339 0.000 2.038 575 E HA -0.103 4.247 4.350 -0.001 0.000 0.195 575 E C 0.654 177.098 176.600 -0.259 0.000 1.000 575 E CA 1.556 57.787 56.400 -0.282 0.000 0.803 575 E CB -0.270 29.193 29.700 -0.394 0.000 0.750 575 E HN 0.436 nan 8.360 nan 0.000 0.448 576 I N -0.205 120.199 120.570 -0.276 0.000 2.689 576 I HA 0.268 4.437 4.170 -0.001 0.000 0.299 576 I C -0.323 175.710 176.117 -0.140 0.000 1.059 576 I CA -0.607 60.571 61.300 -0.203 0.000 1.055 576 I CB 2.264 40.127 38.000 -0.227 0.000 1.243 576 I HN -0.148 nan 8.210 nan 0.000 0.425 577 E N 3.863 124.016 120.200 -0.078 0.000 2.334 577 E HA 0.462 4.812 4.350 -0.001 0.000 0.280 577 E C -2.121 174.479 176.600 -0.001 0.000 0.899 577 E CA -0.543 55.834 56.400 -0.038 0.000 0.813 577 E CB 1.330 31.030 29.700 -0.001 0.000 1.318 577 E HN 0.710 nan 8.360 nan 0.000 0.399 578 D N 2.476 122.900 120.400 0.040 0.000 2.531 578 D HA 0.399 5.039 4.640 -0.001 0.000 0.244 578 D C -0.799 175.544 176.300 0.072 0.000 1.090 578 D CA -0.717 53.323 54.000 0.067 0.000 0.989 578 D CB 1.446 42.306 40.800 0.100 0.000 1.433 578 D HN 0.299 nan 8.370 nan 0.000 0.492 579 E N 0.064 120.296 120.200 0.053 0.000 2.293 579 E HA 0.562 4.912 4.350 -0.001 0.000 0.270 579 E C -1.474 175.150 176.600 0.039 0.000 0.879 579 E CA -1.054 55.366 56.400 0.034 0.000 0.756 579 E CB 2.100 31.809 29.700 0.016 0.000 1.208 579 E HN 0.488 nan 8.360 nan 0.000 0.428 580 V N 0.538 120.469 119.914 0.029 0.000 2.876 580 V HA 0.645 4.765 4.120 -0.001 0.000 0.312 580 V C -0.643 175.468 176.094 0.028 0.000 1.085 580 V CA -0.891 61.435 62.300 0.044 0.000 0.945 580 V CB 1.530 33.403 31.823 0.083 0.000 1.017 580 V HN 0.450 nan 8.190 nan 0.000 0.428 581 V N 4.733 124.673 119.914 0.044 0.000 2.539 581 V HA 0.565 4.684 4.120 -0.001 0.000 0.292 581 V C -0.030 176.104 176.094 0.068 0.000 1.045 581 V CA -0.398 61.931 62.300 0.047 0.000 0.945 581 V CB 1.492 33.342 31.823 0.044 0.000 0.993 581 V HN 0.769 nan 8.190 nan 0.000 0.464 582 I N 3.072 123.688 120.570 0.077 0.000 2.647 582 I HA 0.388 4.557 4.170 -0.001 0.000 0.295 582 I C -0.545 175.631 176.117 0.099 0.000 1.078 582 I CA -0.549 60.815 61.300 0.106 0.000 1.048 582 I CB 2.461 40.534 38.000 0.122 0.000 1.239 582 I HN 0.838 nan 8.210 nan 0.000 0.421 583 D N 4.716 125.172 120.400 0.092 0.000 2.447 583 D HA 0.073 4.713 4.640 -0.001 0.000 0.265 583 D C 0.607 176.943 176.300 0.061 0.000 1.250 583 D CA -0.161 53.879 54.000 0.068 0.000 1.046 583 D CB 0.622 41.455 40.800 0.055 0.000 1.095 583 D HN 0.276 nan 8.370 nan 0.000 0.555 584 E N -0.746 119.475 120.200 0.036 0.000 2.472 584 E HA -0.084 4.266 4.350 -0.001 0.000 0.200 584 E C 0.199 176.800 176.600 0.001 0.000 1.046 584 E CA 0.621 57.027 56.400 0.010 0.000 0.871 584 E CB -0.115 29.585 29.700 -0.001 0.000 0.806 584 E HN 0.463 nan 8.360 nan 0.000 0.533 585 D N -0.766 119.650 120.400 0.026 0.000 2.398 585 D HA 0.110 4.750 4.640 -0.001 0.000 0.210 585 D C 0.943 177.277 176.300 0.057 0.000 1.094 585 D CA 0.505 54.520 54.000 0.025 0.000 0.839 585 D CB 1.067 41.885 40.800 0.029 0.000 0.963 585 D HN 0.227 nan 8.370 nan 0.000 0.506 586 G N 1.783 110.639 108.800 0.093 0.000 2.136 586 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.242 586 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.242 586 G C -0.010 175.016 174.900 0.209 0.000 0.989 586 G CA -0.209 44.997 45.100 0.176 0.000 0.682 586 G HN 0.178 nan 8.290 nan 0.000 0.522 587 E N 0.841 121.130 120.200 0.149 0.000 2.216 587 E HA 0.352 4.702 4.350 -0.001 0.000 0.279 587 E C 0.408 177.098 176.600 0.150 0.000 0.997 587 E CA -0.513 55.970 56.400 0.138 0.000 0.817 587 E CB 1.271 31.024 29.700 0.088 0.000 1.096 587 E HN 0.616 nan 8.360 nan 0.000 0.393 588 E N 0.882 121.181 120.200 0.166 0.000 2.390 588 E HA 0.256 4.605 4.350 -0.001 0.000 0.261 588 E C 0.047 176.704 176.600 0.095 0.000 1.076 588 E CA -0.393 56.094 56.400 0.145 0.000 0.905 588 E CB 1.196 30.989 29.700 0.156 0.000 0.984 588 E HN 0.290 nan 8.360 nan 0.000 0.427 589 V N -1.046 118.916 119.914 0.079 0.000 3.001 589 V HA 0.753 4.873 4.120 -0.001 0.000 0.314 589 V C -0.133 175.991 176.094 0.050 0.000 1.099 589 V CA -0.871 61.464 62.300 0.058 0.000 0.989 589 V CB 1.519 33.373 31.823 0.052 0.000 1.040 589 V HN 0.517 nan 8.190 nan 0.000 0.434 590 V N 0.000 119.938 119.914 0.040 0.000 2.409 590 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 590 V CA 0.000 62.320 62.300 0.033 0.000 1.235 590 V CB 0.000 31.842 31.823 0.031 0.000 1.184 590 V HN 0.000 nan 8.190 nan 0.000 0.556