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 1rh1_1_A DATA FIRST_RESID 10 DATA SEQUENCE TEGIDYGDTM VVWPSTGRIP GGXXXXXXXX XXXXSMPPGW GDYSPQGIAL DATA SEQUENCE VQSVLFPGII RRIILDKELE EGDWSGWSVS VHSPWGNEKV SAARTVLENG DATA SEQUENCE LRGGLPEPSR PAAVSFARLE PASGNEQKII RLMVTQQLEQ VTDIPASQLP DATA SEQUENCE AAGNNVPVKY RLTDLMQNGT QYMAIIGGIP MTVPVVDAVP VPDRSRPGTN DATA SEQUENCE IKDVYSAPVS PNLPDLVLSV GQMNTPVRSN PEIQEDGVIS ETGNYVEAGY DATA SEQUENCE TMSSNNHDVI VRFPEGSGVS PLYISAVEIL DSNSLSQRQE AENNAKDDFR DATA SEQUENCE VKKEQENDEK TVLTKTSEVI ISVGDKVGEY LGDKYKALSR EIAENINNFQ DATA SEQUENCE GKTIRSYDDA MSSINKLMAN PSLKINATDK EAIVNAWKAF NAEDMGNKFA DATA SEQUENCE ALGKTFKAAD YAIKANNIRE KSIEGYQTGN WGPLMLEVES WVISGMASAV DATA SEQUENCE ALSLFSLTLG SALIAFGLSA TVVGFVGVVI AGAIGAFIDD KFVDELNHKI DATA SEQUENCE IK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.845 174.700 0.242 0.000 1.109 10 T CA 0.000 62.199 62.100 0.165 0.000 1.349 10 T CB 0.000 68.944 68.868 0.126 0.000 0.612 11 E N -0.541 119.734 120.200 0.126 0.000 2.926 11 E HA 0.301 4.651 4.350 -0.000 0.000 0.232 11 E C 1.078 177.696 176.600 0.031 0.000 1.095 11 E CA 1.251 57.713 56.400 0.103 0.000 1.755 11 E CB 0.504 30.268 29.700 0.107 0.000 2.411 11 E HN 1.177 nan 8.360 nan 0.000 1.046 12 G N 3.105 111.908 108.800 0.006 0.000 2.581 12 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.291 12 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.291 12 G C 0.992 175.747 174.900 -0.242 0.000 1.277 12 G CA 0.621 45.678 45.100 -0.071 0.000 0.959 12 G HN 0.217 nan 8.290 nan 0.000 0.554 13 I N 0.948 121.324 120.570 -0.324 0.000 2.756 13 I HA -0.012 4.158 4.170 -0.000 0.000 0.262 13 I C 2.148 177.854 176.117 -0.686 0.000 1.225 13 I CA 2.054 63.006 61.300 -0.581 0.000 1.472 13 I CB -1.576 36.250 38.000 -0.290 0.000 1.094 13 I HN 0.590 nan 8.210 nan 0.000 0.454 14 D N 1.528 121.716 120.400 -0.354 0.000 2.133 14 D HA -0.289 4.351 4.640 -0.000 0.000 0.195 14 D C 0.793 177.052 176.300 -0.069 0.000 0.997 14 D CA 1.253 55.150 54.000 -0.171 0.000 0.840 14 D CB -0.270 40.486 40.800 -0.074 0.000 0.947 14 D HN 0.472 nan 8.370 nan 0.000 0.452 15 Y N -2.136 118.175 120.300 0.019 0.000 3.491 15 Y HA -0.275 4.275 4.550 -0.000 0.000 0.215 15 Y C 1.335 177.245 175.900 0.017 0.000 1.219 15 Y CA -0.164 57.949 58.100 0.022 0.000 1.485 15 Y CB -1.642 36.830 38.460 0.021 0.000 1.450 15 Y HN 0.271 nan 8.280 nan 0.000 0.603 16 G N 1.016 109.903 108.800 0.145 0.000 2.180 16 G HA2 -0.404 3.555 3.960 -0.000 0.000 0.263 16 G HA3 -0.404 3.555 3.960 -0.000 0.000 0.263 16 G C -0.025 174.900 174.900 0.040 0.000 0.989 16 G CA 0.823 45.974 45.100 0.085 0.000 0.692 16 G HN 1.339 nan 8.290 nan 0.000 0.526 17 D N -1.757 118.667 120.400 0.040 0.000 2.802 17 D HA -0.222 4.418 4.640 -0.000 0.000 0.229 17 D C 0.580 176.852 176.300 -0.047 0.000 1.203 17 D CA 1.908 55.910 54.000 0.004 0.000 0.712 17 D CB -2.228 38.560 40.800 -0.020 0.000 0.973 17 D HN 1.717 nan 8.370 nan 0.000 0.407 18 T N -2.568 111.976 114.554 -0.016 0.000 5.383 18 T HA -0.266 4.084 4.350 -0.000 0.000 0.279 18 T C 0.624 175.275 174.700 -0.081 0.000 1.930 18 T CA 1.228 63.291 62.100 -0.063 0.000 3.248 18 T CB -1.851 66.903 68.868 -0.189 0.000 1.367 18 T HN 0.657 nan 8.240 nan 0.000 1.030 19 M N 1.562 121.150 119.600 -0.021 0.000 2.300 19 M HA 0.592 5.072 4.480 -0.000 0.000 0.348 19 M C 0.692 177.035 176.300 0.072 0.000 1.151 19 M CA -0.910 54.397 55.300 0.011 0.000 1.046 19 M CB 1.882 34.487 32.600 0.009 0.000 1.647 19 M HN 0.249 nan 8.290 nan 0.000 0.451 20 V N 1.829 121.805 119.914 0.103 0.000 2.785 20 V HA 0.534 4.654 4.120 -0.000 0.000 0.300 20 V C -0.158 176.016 176.094 0.134 0.000 1.062 20 V CA -0.825 61.543 62.300 0.112 0.000 1.029 20 V CB 1.440 33.335 31.823 0.119 0.000 1.024 20 V HN 0.600 nan 8.190 nan 0.000 0.477 21 V N 4.122 124.110 119.914 0.124 0.000 2.583 21 V HA 0.221 4.341 4.120 -0.000 0.000 0.287 21 V C -0.399 175.812 176.094 0.195 0.000 1.051 21 V CA -0.132 62.253 62.300 0.143 0.000 1.010 21 V CB 1.213 33.089 31.823 0.089 0.000 0.988 21 V HN 1.031 nan 8.190 nan 0.000 0.478 22 W N 9.150 130.476 121.300 0.043 0.000 2.314 22 W HA 0.532 5.192 4.660 -0.000 0.000 0.310 22 W C -2.540 173.998 176.519 0.032 0.000 1.075 22 W CA -2.912 54.455 57.345 0.036 0.000 1.253 22 W CB 1.247 30.730 29.460 0.038 0.000 1.238 22 W HN 0.375 nan 8.180 nan 0.000 0.440 23 P HA 0.026 nan 4.420 nan 0.000 0.276 23 P C 0.026 176.748 177.300 -0.964 0.000 1.264 23 P CA 0.238 63.044 63.100 -0.489 0.000 0.769 23 P CB 1.239 32.734 31.700 -0.342 0.000 0.840 24 S N 2.617 117.915 115.700 -0.671 0.000 2.569 24 S HA -0.044 4.426 4.470 -0.000 0.000 0.274 24 S C 1.893 176.128 174.600 -0.608 0.000 1.353 24 S CA 0.324 58.078 58.200 -0.742 0.000 1.023 24 S CB 0.083 63.181 63.200 -0.170 0.000 0.876 24 S HN 0.541 nan 8.310 nan 0.000 0.540 25 T N 2.580 116.906 114.554 -0.380 0.000 2.737 25 T HA 0.037 4.387 4.350 -0.000 0.000 0.269 25 T C 1.192 175.846 174.700 -0.077 0.000 1.040 25 T CA 2.444 64.487 62.100 -0.094 0.000 1.142 25 T CB -0.742 68.227 68.868 0.169 0.000 0.861 25 T HN 1.061 nan 8.240 nan 0.000 0.456 26 G N -0.523 108.240 108.800 -0.061 0.000 4.444 26 G HA2 0.177 4.137 3.960 -0.000 0.000 0.158 26 G HA3 0.177 4.137 3.960 -0.000 0.000 0.158 26 G C -0.439 174.446 174.900 -0.025 0.000 1.789 26 G CA -0.145 44.927 45.100 -0.047 0.000 0.886 26 G HN 0.426 nan 8.290 nan 0.000 0.284 27 R N 0.585 121.084 120.500 -0.001 0.000 6.887 27 R HA -0.031 4.309 4.340 -0.000 0.000 0.262 27 R C -0.562 175.739 176.300 0.002 0.000 0.791 27 R CA 0.081 56.186 56.100 0.007 0.000 1.714 27 R CB -1.111 29.184 30.300 -0.007 0.000 1.334 27 R HN 0.825 nan 8.270 nan 0.000 0.826 28 I N 1.424 122.002 120.570 0.014 0.000 2.406 28 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 28 I C -1.871 174.245 176.117 -0.002 0.000 1.101 28 I CA -2.093 59.212 61.300 0.008 0.000 1.334 28 I CB -0.203 37.808 38.000 0.018 0.000 1.421 28 I HN 0.267 nan 8.210 nan 0.000 0.513 29 P HA -0.006 nan 4.420 nan 0.000 0.257 29 P C 0.734 178.031 177.300 -0.004 0.000 1.153 29 P CA 0.781 63.874 63.100 -0.011 0.000 0.762 29 P CB 0.435 32.123 31.700 -0.019 0.000 0.743 30 G N 1.615 110.414 108.800 -0.001 0.000 4.469 30 G HA2 0.408 4.368 3.960 -0.000 0.000 0.183 30 G HA3 0.408 4.368 3.960 -0.000 0.000 0.183 30 G C 0.078 174.980 174.900 0.003 0.000 0.797 30 G CA 0.469 45.570 45.100 0.002 0.000 0.770 30 G HN 0.901 nan 8.290 nan 0.000 0.484 45 M N 1.494 121.004 119.600 -0.149 0.000 7.319 45 M HA -0.161 4.319 4.480 -0.000 0.000 0.268 45 M C -2.819 173.448 176.300 -0.055 0.000 0.480 45 M CA 0.607 55.933 55.300 0.044 0.000 1.311 45 M CB -1.762 30.861 32.600 0.037 0.000 0.421 45 M HN 0.230 nan 8.290 nan 0.000 0.265 46 P HA 0.394 nan 4.420 nan 0.000 0.276 46 P C -2.492 174.967 177.300 0.265 0.000 1.252 46 P CA -0.998 62.206 63.100 0.174 0.000 0.802 46 P CB 0.010 31.764 31.700 0.089 0.000 1.035 47 P HA 0.090 nan 4.420 nan 0.000 0.268 47 P C 0.554 177.462 177.300 -0.653 0.000 1.204 47 P CA 0.617 63.581 63.100 -0.226 0.000 0.768 47 P CB 0.525 32.152 31.700 -0.122 0.000 0.842 48 G N 3.290 111.501 108.800 -0.983 0.000 2.705 48 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.193 48 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.193 48 G C 0.557 175.122 174.900 -0.559 0.000 1.015 48 G CA 0.113 44.380 45.100 -1.389 0.000 0.743 48 G HN 0.555 nan 8.290 nan 0.000 0.476 49 W N 2.310 123.430 121.300 -0.300 0.000 2.364 49 W HA 0.367 5.027 4.660 -0.000 0.000 0.281 49 W C 1.252 177.739 176.519 -0.053 0.000 1.219 49 W CA 1.065 58.328 57.345 -0.137 0.000 1.220 49 W CB -0.842 28.559 29.460 -0.098 0.000 1.127 49 W HN 0.550 nan 8.180 nan 0.000 0.556 50 G N 0.761 109.336 108.800 -0.376 0.000 2.631 50 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.271 50 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.271 50 G C -0.897 173.909 174.900 -0.157 0.000 1.302 50 G CA -0.026 44.979 45.100 -0.158 0.000 1.002 50 G HN 0.127 nan 8.290 nan 0.000 0.519 51 D N -0.430 119.701 120.400 -0.449 0.000 2.551 51 D HA 0.323 4.962 4.640 -0.000 0.000 0.223 51 D C -0.786 175.009 176.300 -0.842 0.000 1.144 51 D CA 0.138 53.854 54.000 -0.474 0.000 1.025 51 D CB -0.542 40.039 40.800 -0.365 0.000 1.085 51 D HN 0.246 nan 8.370 nan 0.000 0.506 52 Y N -0.155 120.125 120.300 -0.033 0.000 2.669 52 Y HA 0.386 4.936 4.550 -0.000 0.000 0.335 52 Y C 0.414 176.378 175.900 0.108 0.000 1.116 52 Y CA -1.436 56.680 58.100 0.026 0.000 1.081 52 Y CB 1.285 39.750 38.460 0.007 0.000 1.297 52 Y HN -0.094 nan 8.280 nan 0.000 0.484 53 S N 2.988 118.896 115.700 0.347 0.000 2.545 53 S HA 0.195 4.665 4.470 -0.000 0.000 0.275 53 S C -1.626 173.209 174.600 0.392 0.000 1.299 53 S CA -1.595 56.762 58.200 0.263 0.000 1.048 53 S CB 0.641 63.934 63.200 0.155 0.000 0.938 53 S HN 0.471 nan 8.310 nan 0.000 0.496 54 P HA -0.088 nan 4.420 nan 0.000 0.234 54 P C 0.761 178.108 177.300 0.079 0.000 1.167 54 P CA 0.641 63.957 63.100 0.360 0.000 0.763 54 P CB 0.131 31.971 31.700 0.234 0.000 0.835 55 Q N -0.279 119.493 119.800 -0.047 0.000 2.217 55 Q HA -0.120 4.220 4.340 -0.000 0.000 0.209 55 Q C 1.690 177.413 176.000 -0.462 0.000 0.988 55 Q CA 1.785 57.472 55.803 -0.193 0.000 0.878 55 Q CB -0.532 28.122 28.738 -0.139 0.000 0.909 55 Q HN 0.418 nan 8.270 nan 0.000 0.424 56 G N 0.466 108.697 108.800 -0.947 0.000 2.231 56 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.206 56 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.206 56 G C 0.271 174.430 174.900 -1.236 0.000 0.996 56 G CA 0.056 44.123 45.100 -1.722 0.000 0.645 56 G HN 0.406 nan 8.290 nan 0.000 0.498 57 I N -0.156 120.035 120.570 -0.632 0.000 2.577 57 I HA 0.846 5.016 4.170 -0.000 0.000 0.300 57 I C 0.802 176.882 176.117 -0.061 0.000 0.990 57 I CA -0.692 60.453 61.300 -0.258 0.000 1.283 57 I CB 1.494 39.411 38.000 -0.139 0.000 1.411 57 I HN 0.400 nan 8.210 nan 0.000 0.515 58 A N 5.925 128.765 122.820 0.033 0.000 2.409 58 A HA 0.379 4.699 4.320 -0.000 0.000 0.246 58 A C 0.323 177.927 177.584 0.032 0.000 1.099 58 A CA -0.539 51.528 52.037 0.050 0.000 0.789 58 A CB 0.113 19.139 19.000 0.044 0.000 1.053 58 A HN 0.924 nan 8.150 nan 0.000 0.503 59 L N -0.429 120.789 121.223 -0.008 0.000 2.473 59 L HA 0.458 4.798 4.340 -0.000 0.000 0.268 59 L C -0.214 176.689 176.870 0.055 0.000 1.215 59 L CA -0.693 54.182 54.840 0.058 0.000 0.823 59 L CB 0.247 42.360 42.059 0.090 0.000 1.099 59 L HN 0.294 nan 8.230 nan 0.000 0.483 60 V N 3.882 123.827 119.914 0.053 0.000 2.352 60 V HA 0.017 4.137 4.120 -0.000 0.000 0.253 60 V C 1.294 177.407 176.094 0.031 0.000 1.083 60 V CA 0.357 62.675 62.300 0.030 0.000 0.993 60 V CB 0.289 32.120 31.823 0.012 0.000 1.111 60 V HN 1.058 nan 8.190 nan 0.000 0.490 61 Q N 3.707 123.531 119.800 0.039 0.000 2.187 61 Q HA 0.069 4.409 4.340 -0.000 0.000 0.199 61 Q C 1.015 177.029 176.000 0.024 0.000 0.957 61 Q CA 0.861 56.691 55.803 0.046 0.000 0.857 61 Q CB 0.373 29.157 28.738 0.077 0.000 0.929 61 Q HN 0.571 nan 8.270 nan 0.000 0.453 62 S N -1.016 114.681 115.700 -0.005 0.000 2.705 62 S HA 0.588 5.058 4.470 -0.000 0.000 0.280 62 S C -1.648 172.895 174.600 -0.095 0.000 1.174 62 S CA -0.826 57.355 58.200 -0.030 0.000 0.823 62 S CB 2.139 65.333 63.200 -0.009 0.000 1.162 62 S HN 0.094 nan 8.310 nan 0.000 0.487 63 V N 2.645 122.460 119.914 -0.165 0.000 2.448 63 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 63 V C -0.995 174.852 176.094 -0.413 0.000 1.025 63 V CA -0.617 61.465 62.300 -0.363 0.000 0.859 63 V CB 1.409 32.852 31.823 -0.633 0.000 0.988 63 V HN 0.687 nan 8.190 nan 0.000 0.431 64 L N 6.211 127.232 121.223 -0.337 0.000 2.352 64 L HA 0.492 4.832 4.340 -0.000 0.000 0.272 64 L C -0.404 176.370 176.870 -0.160 0.000 1.109 64 L CA 0.177 54.903 54.840 -0.189 0.000 0.952 64 L CB -0.408 41.596 42.059 -0.091 0.000 1.314 64 L HN 0.402 nan 8.230 nan 0.000 0.427 65 F N 4.489 124.506 119.950 0.112 0.000 2.384 65 F HA 0.406 4.933 4.527 -0.000 0.000 0.338 65 F C -1.515 174.353 175.800 0.114 0.000 1.103 65 F CA -2.139 55.951 58.000 0.150 0.000 1.157 65 F CB 0.321 39.439 39.000 0.197 0.000 1.167 65 F HN 0.348 nan 8.300 nan 0.000 0.529 66 P HA 0.152 nan 4.420 nan 0.000 0.271 66 P C 0.668 178.037 177.300 0.114 0.000 1.220 66 P CA 0.486 63.684 63.100 0.164 0.000 0.768 66 P CB 1.178 32.955 31.700 0.128 0.000 0.848 67 G N 3.239 112.076 108.800 0.062 0.000 2.241 67 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 67 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 67 G C 0.116 175.047 174.900 0.051 0.000 0.998 67 G CA -0.233 44.850 45.100 -0.029 0.000 0.621 67 G HN 0.525 nan 8.290 nan 0.000 0.519 68 I N 2.692 123.350 120.570 0.146 0.000 2.291 68 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 68 I C 0.953 177.190 176.117 0.201 0.000 1.064 68 I CA -0.738 60.676 61.300 0.190 0.000 1.269 68 I CB 0.764 38.918 38.000 0.256 0.000 1.418 68 I HN 0.069 nan 8.210 nan 0.000 0.485 69 I N 7.086 127.782 120.570 0.210 0.000 2.710 69 I HA 0.074 4.244 4.170 -0.000 0.000 0.286 69 I C 0.402 176.601 176.117 0.136 0.000 1.181 69 I CA 0.295 61.704 61.300 0.181 0.000 1.430 69 I CB 0.030 38.141 38.000 0.186 0.000 1.367 69 I HN 0.475 nan 8.210 nan 0.000 0.577 70 R N 5.105 125.667 120.500 0.103 0.000 2.621 70 R HA 0.377 4.717 4.340 -0.000 0.000 0.284 70 R C -0.752 175.588 176.300 0.066 0.000 0.998 70 R CA -1.028 55.120 56.100 0.081 0.000 0.895 70 R CB 1.899 32.236 30.300 0.062 0.000 1.195 70 R HN 0.563 nan 8.270 nan 0.000 0.450 71 R N 3.210 123.753 120.500 0.070 0.000 2.235 71 R HA 0.372 4.712 4.340 -0.000 0.000 0.338 71 R C -0.484 175.871 176.300 0.092 0.000 1.087 71 R CA -0.097 56.049 56.100 0.077 0.000 0.948 71 R CB 0.062 30.403 30.300 0.068 0.000 1.099 71 R HN 0.518 nan 8.270 nan 0.000 0.483 72 I N 6.113 126.755 120.570 0.120 0.000 2.354 72 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 72 I C -0.149 176.173 176.117 0.342 0.000 0.989 72 I CA -0.695 60.714 61.300 0.182 0.000 1.188 72 I CB 1.812 39.842 38.000 0.049 0.000 1.342 72 I HN 0.507 nan 8.210 nan 0.000 0.457 73 I N 6.762 127.527 120.570 0.324 0.000 2.354 73 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 73 I C -0.384 175.800 176.117 0.112 0.000 0.989 73 I CA -0.827 60.594 61.300 0.203 0.000 1.188 73 I CB 1.640 39.698 38.000 0.098 0.000 1.342 73 I HN 0.336 nan 8.210 nan 0.000 0.457 74 L N 6.764 127.846 121.223 -0.236 0.000 2.380 74 L HA 0.235 4.575 4.340 -0.000 0.000 0.273 74 L C 0.170 176.836 176.870 -0.340 0.000 1.138 74 L CA 0.435 54.845 54.840 -0.717 0.000 0.832 74 L CB -0.031 41.467 42.059 -0.935 0.000 1.124 74 L HN 0.585 nan 8.230 nan 0.000 0.454 75 D N 2.829 123.061 120.400 -0.279 0.000 2.689 75 D HA -0.262 4.378 4.640 -0.000 0.000 0.237 75 D C 1.305 177.538 176.300 -0.111 0.000 1.148 75 D CA 1.114 55.017 54.000 -0.163 0.000 0.656 75 D CB -0.357 40.351 40.800 -0.154 0.000 1.050 75 D HN 0.767 nan 8.370 nan 0.000 0.426 76 K N 0.207 120.567 120.400 -0.066 0.000 2.107 76 K HA -0.215 4.105 4.320 -0.000 0.000 0.211 76 K C 0.864 177.439 176.600 -0.042 0.000 1.049 76 K CA 1.560 57.832 56.287 -0.025 0.000 0.927 76 K CB 0.117 32.630 32.500 0.023 0.000 0.714 76 K HN 0.293 nan 8.250 nan 0.000 0.452 77 E N -0.004 120.141 120.200 -0.092 0.000 3.157 77 E HA 0.010 4.360 4.350 -0.000 0.000 0.203 77 E C 0.330 176.798 176.600 -0.220 0.000 0.982 77 E CA -0.255 56.074 56.400 -0.118 0.000 1.217 77 E CB 0.600 30.240 29.700 -0.099 0.000 1.123 77 E HN 0.105 nan 8.360 nan 0.000 0.457 78 L N 1.974 123.083 121.223 -0.190 0.000 2.017 78 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 78 L C 2.316 179.036 176.870 -0.250 0.000 1.073 78 L CA 2.036 56.734 54.840 -0.237 0.000 0.745 78 L CB -0.072 41.903 42.059 -0.141 0.000 0.894 78 L HN 0.211 nan 8.230 nan 0.000 0.432 79 E N -0.558 119.588 120.200 -0.090 0.000 2.204 79 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 79 E C 1.680 178.316 176.600 0.060 0.000 0.989 79 E CA 1.242 57.667 56.400 0.042 0.000 0.824 79 E CB -0.573 29.165 29.700 0.062 0.000 0.756 79 E HN 0.589 nan 8.360 nan 0.000 0.477 80 E N 0.173 120.355 120.200 -0.030 0.000 2.511 80 E HA 0.128 4.478 4.350 -0.000 0.000 0.196 80 E C 0.923 177.480 176.600 -0.073 0.000 1.066 80 E CA 0.792 57.207 56.400 0.024 0.000 0.871 80 E CB 0.186 29.918 29.700 0.052 0.000 0.863 80 E HN 0.545 nan 8.360 nan 0.000 0.520 81 G N 0.651 109.139 108.800 -0.519 0.000 2.253 81 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.209 81 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.209 81 G C 0.247 174.539 174.900 -1.014 0.000 0.997 81 G CA -0.054 44.286 45.100 -1.267 0.000 0.640 81 G HN 0.383 nan 8.290 nan 0.000 0.496 82 D N -0.452 119.421 120.400 -0.879 0.000 2.349 82 D HA 0.402 5.042 4.640 -0.000 0.000 0.239 82 D C 0.691 176.560 176.300 -0.719 0.000 1.315 82 D CA -0.052 53.260 54.000 -1.147 0.000 0.937 82 D CB 0.257 40.279 40.800 -1.296 0.000 1.133 82 D HN 0.300 nan 8.370 nan 0.000 0.489 83 W N -0.129 120.917 121.300 -0.424 0.000 2.183 83 W HA 0.314 4.974 4.660 0.000 0.000 0.348 83 W C 0.760 177.158 176.519 -0.202 0.000 1.257 83 W CA -0.655 56.552 57.345 -0.230 0.000 1.324 83 W CB 0.386 29.758 29.460 -0.146 0.000 1.144 83 W HN 0.072 nan 8.180 nan 0.000 0.622 84 S N 1.322 117.128 115.700 0.177 0.000 2.549 84 S HA 0.458 4.928 4.470 -0.000 0.000 0.286 84 S C 0.604 175.227 174.600 0.038 0.000 1.314 84 S CA 0.808 59.042 58.200 0.057 0.000 1.062 84 S CB 0.179 63.420 63.200 0.069 0.000 0.865 84 S HN 0.916 nan 8.310 nan 0.000 0.498 85 G N 2.403 111.186 108.800 -0.029 0.000 2.418 85 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.206 85 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.206 85 G C -1.693 173.233 174.900 0.042 0.000 1.202 85 G CA -0.567 44.523 45.100 -0.017 0.000 1.061 85 G HN 0.588 nan 8.290 nan 0.000 0.563 86 W N 1.186 122.476 121.300 -0.017 0.000 2.702 86 W HA 0.803 5.463 4.660 -0.000 0.000 0.331 86 W C -0.219 176.292 176.519 -0.014 0.000 1.049 86 W CA -0.747 56.589 57.345 -0.015 0.000 1.230 86 W CB 1.864 31.319 29.460 -0.009 0.000 1.408 86 W HN 0.823 nan 8.180 nan 0.000 0.492 87 S N 2.256 118.068 115.700 0.186 0.000 2.626 87 S HA 0.488 4.958 4.470 -0.000 0.000 0.275 87 S C -0.869 173.732 174.600 0.000 0.000 1.175 87 S CA -0.706 57.527 58.200 0.055 0.000 0.982 87 S CB 1.259 64.489 63.200 0.050 0.000 1.093 87 S HN 0.322 nan 8.310 nan 0.000 0.472 88 V N 0.317 120.201 119.914 -0.050 0.000 2.864 88 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 88 V C 0.002 176.064 176.094 -0.053 0.000 1.073 88 V CA -0.771 61.488 62.300 -0.068 0.000 0.956 88 V CB 1.943 33.693 31.823 -0.122 0.000 1.023 88 V HN 0.694 nan 8.190 nan 0.000 0.435 89 S N 1.733 117.388 115.700 -0.074 0.000 2.480 89 S HA 0.650 5.120 4.470 -0.000 0.000 0.286 89 S C -0.451 174.090 174.600 -0.097 0.000 1.180 89 S CA -0.433 57.721 58.200 -0.076 0.000 1.075 89 S CB 1.096 64.242 63.200 -0.091 0.000 0.996 89 S HN 0.857 nan 8.310 nan 0.000 0.487 90 V N 6.851 126.730 119.914 -0.060 0.000 2.406 90 V HA 0.366 4.486 4.120 -0.000 0.000 0.272 90 V C 0.241 176.306 176.094 -0.048 0.000 1.043 90 V CA -0.461 61.809 62.300 -0.050 0.000 0.915 90 V CB 0.886 32.696 31.823 -0.022 0.000 0.988 90 V HN 0.852 nan 8.190 nan 0.000 0.466 91 H N 2.719 121.705 119.070 -0.140 0.000 2.731 91 H HA 0.473 5.029 4.556 -0.000 0.000 0.368 91 H C -0.061 175.320 175.328 0.088 0.000 1.168 91 H CA -0.419 55.593 56.048 -0.059 0.000 1.181 91 H CB 2.383 32.055 29.762 -0.150 0.000 1.743 91 H HN 0.605 nan 8.280 nan 0.000 0.547 92 S N 1.719 117.445 115.700 0.044 0.000 2.596 92 S HA 0.164 4.634 4.470 -0.000 0.000 0.260 92 S C -2.276 172.587 174.600 0.437 0.000 1.336 92 S CA -0.905 57.392 58.200 0.162 0.000 0.993 92 S CB 0.223 63.421 63.200 -0.003 0.000 0.923 92 S HN 0.472 nan 8.310 nan 0.000 0.567 93 P HA 0.068 nan 4.420 nan 0.000 0.258 93 P C -1.359 176.148 177.300 0.344 0.000 1.172 93 P CA 0.720 63.980 63.100 0.266 0.000 0.762 93 P CB 0.084 31.864 31.700 0.133 0.000 0.764 94 W N 3.745 125.061 121.300 0.027 0.000 3.363 94 W HA 0.513 5.173 4.660 -0.000 0.000 0.306 94 W C -0.203 176.085 176.519 -0.386 0.000 1.253 94 W CA 0.619 57.845 57.345 -0.199 0.000 1.195 94 W CB 1.513 30.774 29.460 -0.331 0.000 1.366 94 W HN 0.800 nan 8.180 nan 0.000 0.551 95 G N 3.147 111.170 108.800 -1.294 0.000 2.828 95 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.463 95 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.463 95 G C -0.896 173.665 174.900 -0.565 0.000 1.394 95 G CA -0.535 43.811 45.100 -1.258 0.000 0.862 95 G HN 0.861 nan 8.290 nan 0.000 0.540 96 N N 1.911 120.344 118.700 -0.444 0.000 2.401 96 N HA 0.453 5.193 4.740 -0.000 0.000 0.255 96 N C 0.224 175.652 175.510 -0.137 0.000 1.110 96 N CA 0.369 53.275 53.050 -0.240 0.000 0.949 96 N CB 1.268 39.641 38.487 -0.190 0.000 1.110 96 N HN 0.833 nan 8.380 nan 0.000 0.490 97 E N -0.140 119.998 120.200 -0.104 0.000 2.221 97 E HA 0.420 4.770 4.350 -0.000 0.000 0.268 97 E C 0.064 176.640 176.600 -0.040 0.000 0.933 97 E CA -0.943 55.428 56.400 -0.048 0.000 0.809 97 E CB 1.429 31.099 29.700 -0.049 0.000 1.190 97 E HN 0.012 nan 8.360 nan 0.000 0.406 98 K N 1.163 121.564 120.400 0.001 0.000 2.358 98 K HA 0.206 4.526 4.320 -0.000 0.000 0.197 98 K C 0.745 177.321 176.600 -0.040 0.000 1.025 98 K CA 0.305 56.612 56.287 0.032 0.000 1.104 98 K CB 0.124 32.718 32.500 0.156 0.000 0.855 98 K HN 0.472 nan 8.250 nan 0.000 0.531 99 V N -0.160 119.610 119.914 -0.240 0.000 2.379 99 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 99 V C 2.083 178.034 176.094 -0.238 0.000 1.044 99 V CA 1.875 63.925 62.300 -0.417 0.000 1.036 99 V CB -0.533 30.941 31.823 -0.580 0.000 0.664 99 V HN 0.411 nan 8.190 nan 0.000 0.453 100 S N 0.098 115.689 115.700 -0.180 0.000 2.400 100 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 100 S C 2.059 176.592 174.600 -0.110 0.000 1.025 100 S CA 1.656 59.766 58.200 -0.149 0.000 0.993 100 S CB -0.259 62.871 63.200 -0.117 0.000 0.808 100 S HN 0.626 nan 8.310 nan 0.000 0.478 101 A N 1.026 123.802 122.820 -0.073 0.000 1.897 101 A HA 0.372 4.692 4.320 -0.000 0.000 0.215 101 A C 2.439 180.010 177.584 -0.021 0.000 1.181 101 A CA 1.461 53.476 52.037 -0.038 0.000 0.620 101 A CB -1.292 17.702 19.000 -0.010 0.000 0.821 101 A HN 0.718 nan 8.150 nan 0.000 0.443 102 A N -0.282 122.538 122.820 0.001 0.000 2.019 102 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 102 A C 2.199 179.774 177.584 -0.014 0.000 1.164 102 A CA 1.703 53.765 52.037 0.041 0.000 0.644 102 A CB -0.443 18.637 19.000 0.133 0.000 0.805 102 A HN 0.558 nan 8.150 nan 0.000 0.449 103 R N -0.863 119.570 120.500 -0.112 0.000 2.090 103 R HA -0.079 4.261 4.340 -0.000 0.000 0.228 103 R C 2.057 178.281 176.300 -0.128 0.000 1.110 103 R CA 1.821 57.794 56.100 -0.211 0.000 0.973 103 R CB -0.514 29.566 30.300 -0.367 0.000 0.869 103 R HN 0.433 nan 8.270 nan 0.000 0.440 104 T N 0.304 114.802 114.554 -0.093 0.000 2.720 104 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 104 T C 1.751 176.426 174.700 -0.041 0.000 1.037 104 T CA 1.527 63.590 62.100 -0.062 0.000 1.144 104 T CB -0.117 68.719 68.868 -0.053 0.000 0.864 104 T HN 0.037 nan 8.240 nan 0.000 0.444 105 V N 1.324 121.227 119.914 -0.019 0.000 2.427 105 V HA -0.062 4.058 4.120 -0.000 0.000 0.248 105 V C 2.391 178.487 176.094 0.004 0.000 1.051 105 V CA 1.144 63.441 62.300 -0.006 0.000 1.048 105 V CB -0.587 31.258 31.823 0.036 0.000 0.666 105 V HN 0.421 nan 8.190 nan 0.000 0.456 106 L N -0.224 121.039 121.223 0.067 0.000 1.994 106 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 106 L C 2.692 179.609 176.870 0.078 0.000 1.071 106 L CA 1.958 56.897 54.840 0.165 0.000 0.745 106 L CB -0.318 41.863 42.059 0.203 0.000 0.892 106 L HN 0.415 nan 8.230 nan 0.000 0.431 107 E N -0.110 120.124 120.200 0.056 0.000 2.038 107 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 107 E C 1.865 178.436 176.600 -0.048 0.000 1.000 107 E CA 1.760 58.187 56.400 0.045 0.000 0.803 107 E CB -0.250 29.473 29.700 0.039 0.000 0.750 107 E HN 0.593 nan 8.360 nan 0.000 0.448 108 N N 0.068 118.715 118.700 -0.088 0.000 2.036 108 N HA -0.166 4.574 4.740 -0.000 0.000 0.195 108 N C 2.061 177.414 175.510 -0.262 0.000 1.037 108 N CA 0.998 53.968 53.050 -0.134 0.000 0.855 108 N CB -0.306 38.112 38.487 -0.116 0.000 1.033 108 N HN 0.166 nan 8.380 nan 0.000 0.423 109 G N 1.112 109.616 108.800 -0.493 0.000 2.471 109 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 109 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 109 G C 1.476 175.871 174.900 -0.842 0.000 1.125 109 G CA 0.197 44.648 45.100 -1.082 0.000 0.775 109 G HN 0.176 nan 8.290 nan 0.000 0.548 110 L N -0.513 120.487 121.223 -0.372 0.000 2.376 110 L HA 0.106 4.446 4.340 -0.000 0.000 0.219 110 L C 2.870 179.716 176.870 -0.040 0.000 1.133 110 L CA 0.260 55.070 54.840 -0.050 0.000 0.816 110 L CB -0.079 42.012 42.059 0.053 0.000 0.933 110 L HN 0.135 nan 8.230 nan 0.000 0.449 111 R N -0.260 120.188 120.500 -0.087 0.000 2.235 111 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 111 R C 1.723 177.997 176.300 -0.043 0.000 1.059 111 R CA 0.831 56.900 56.100 -0.053 0.000 0.997 111 R CB -0.138 30.126 30.300 -0.060 0.000 0.884 111 R HN 0.284 nan 8.270 nan 0.000 0.462 112 G N 0.013 108.776 108.800 -0.062 0.000 3.502 112 G HA2 0.399 4.359 3.960 -0.000 0.000 0.267 112 G HA3 0.399 4.359 3.960 -0.000 0.000 0.267 112 G C 0.112 175.035 174.900 0.038 0.000 1.090 112 G CA 0.190 45.277 45.100 -0.022 0.000 0.795 112 G HN 0.435 nan 8.290 nan 0.000 0.535 113 G N -0.251 108.583 108.800 0.056 0.000 2.733 113 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 113 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 113 G C -0.157 174.858 174.900 0.191 0.000 1.373 113 G CA -0.787 44.370 45.100 0.096 0.000 0.838 113 G HN 0.493 nan 8.290 nan 0.000 0.588 114 L N 1.915 123.227 121.223 0.149 0.000 2.461 114 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 114 L C -0.408 176.513 176.870 0.084 0.000 1.197 114 L CA -1.115 53.805 54.840 0.133 0.000 0.836 114 L CB 0.752 42.847 42.059 0.060 0.000 1.105 114 L HN 0.502 nan 8.230 nan 0.000 0.477 115 P HA -0.158 nan 4.420 nan 0.000 0.215 115 P C -0.287 177.020 177.300 0.012 0.000 1.157 115 P CA 1.242 64.312 63.100 -0.050 0.000 0.874 115 P CB 0.271 31.852 31.700 -0.199 0.000 0.790 116 E N -0.787 119.416 120.200 0.006 0.000 2.255 116 E HA 0.248 4.598 4.350 -0.000 0.000 0.256 116 E C -2.692 173.948 176.600 0.065 0.000 0.887 116 E CA -3.181 53.263 56.400 0.072 0.000 0.782 116 E CB 0.932 30.698 29.700 0.109 0.000 1.214 116 E HN -0.029 nan 8.360 nan 0.000 0.417 117 P HA -0.036 nan 4.420 nan 0.000 0.264 117 P C -0.251 177.114 177.300 0.109 0.000 1.193 117 P CA 0.742 63.890 63.100 0.080 0.000 0.763 117 P CB 0.872 32.616 31.700 0.073 0.000 0.810 118 S N 1.134 116.873 115.700 0.065 0.000 3.450 118 S HA -0.166 4.304 4.470 -0.000 0.000 0.288 118 S C -0.057 174.548 174.600 0.008 0.000 1.256 118 S CA 0.459 58.693 58.200 0.056 0.000 0.910 118 S CB -2.140 61.121 63.200 0.103 0.000 1.090 118 S HN 0.752 nan 8.310 nan 0.000 0.630 119 R N 1.088 121.566 120.500 -0.036 0.000 2.604 119 R HA 0.577 4.917 4.340 -0.000 0.000 0.281 119 R C -2.857 173.369 176.300 -0.122 0.000 1.020 119 R CA -1.894 54.123 56.100 -0.138 0.000 0.899 119 R CB 2.072 32.219 30.300 -0.255 0.000 1.205 119 R HN 0.259 nan 8.270 nan 0.000 0.450 120 P HA 0.079 nan 4.420 nan 0.000 0.271 120 P C -1.138 176.096 177.300 -0.111 0.000 1.244 120 P CA -0.164 62.879 63.100 -0.094 0.000 0.793 120 P CB 0.825 32.474 31.700 -0.085 0.000 0.984 121 A N 0.221 122.999 122.820 -0.069 0.000 2.356 121 A HA 0.761 5.081 4.320 -0.000 0.000 0.323 121 A C -0.767 176.780 177.584 -0.061 0.000 1.119 121 A CA -0.537 51.420 52.037 -0.133 0.000 0.790 121 A CB 1.340 20.294 19.000 -0.077 0.000 1.273 121 A HN 0.655 nan 8.150 nan 0.000 0.452 122 A N 0.554 123.304 122.820 -0.116 0.000 2.475 122 A HA 0.738 5.057 4.320 -0.000 0.000 0.301 122 A C -1.347 176.243 177.584 0.009 0.000 1.059 122 A CA -0.482 51.545 52.037 -0.017 0.000 0.710 122 A CB 1.629 20.605 19.000 -0.040 0.000 1.288 122 A HN 1.377 nan 8.150 nan 0.000 0.408 123 V N 2.014 121.978 119.914 0.084 0.000 2.569 123 V HA 0.469 4.589 4.120 -0.000 0.000 0.301 123 V C 0.412 176.574 176.094 0.114 0.000 1.044 123 V CA -0.407 61.948 62.300 0.091 0.000 0.874 123 V CB 1.826 33.733 31.823 0.139 0.000 1.002 123 V HN 1.182 nan 8.190 nan 0.000 0.424 124 S N 3.795 119.527 115.700 0.052 0.000 2.562 124 S HA 0.351 4.821 4.470 -0.000 0.000 0.281 124 S C 0.300 174.998 174.600 0.164 0.000 1.333 124 S CA -0.033 58.206 58.200 0.066 0.000 1.052 124 S CB 0.412 63.626 63.200 0.022 0.000 0.884 124 S HN 0.927 nan 8.310 nan 0.000 0.506 125 F N -0.450 119.551 119.950 0.084 0.000 2.746 125 F HA 0.788 5.315 4.527 0.000 0.000 0.313 125 F C 0.220 176.065 175.800 0.074 0.000 1.095 125 F CA -0.446 57.592 58.000 0.064 0.000 1.224 125 F CB 0.008 39.033 39.000 0.042 0.000 1.060 125 F HN 0.837 nan 8.300 nan 0.000 0.584 126 A N 1.182 123.856 122.820 -0.243 0.000 2.547 126 A HA 0.680 5.000 4.320 -0.000 0.000 0.297 126 A C -1.285 176.214 177.584 -0.142 0.000 1.056 126 A CA -0.849 51.103 52.037 -0.141 0.000 0.688 126 A CB 1.283 20.179 19.000 -0.172 0.000 1.282 126 A HN 0.308 nan 8.150 nan 0.000 0.400 127 R N 1.641 122.067 120.500 -0.123 0.000 2.393 127 R HA 0.654 4.994 4.340 -0.000 0.000 0.310 127 R C -1.667 174.465 176.300 -0.279 0.000 0.968 127 R CA -0.649 55.258 56.100 -0.322 0.000 0.867 127 R CB 0.718 30.856 30.300 -0.270 0.000 1.124 127 R HN 0.541 nan 8.270 nan 0.000 0.450 128 L N 3.841 124.855 121.223 -0.348 0.000 2.287 128 L HA 0.322 4.662 4.340 -0.000 0.000 0.287 128 L C -0.170 176.591 176.870 -0.182 0.000 1.022 128 L CA -0.113 54.600 54.840 -0.211 0.000 0.814 128 L CB 1.688 43.647 42.059 -0.167 0.000 1.217 128 L HN 0.631 nan 8.230 nan 0.000 0.420 129 E N 5.274 125.405 120.200 -0.115 0.000 2.360 129 E HA 0.186 4.536 4.350 -0.000 0.000 0.269 129 E C -2.055 174.507 176.600 -0.062 0.000 1.022 129 E CA -1.581 54.770 56.400 -0.082 0.000 0.887 129 E CB 0.329 29.998 29.700 -0.051 0.000 0.990 129 E HN 0.358 nan 8.360 nan 0.000 0.426 130 P HA 0.031 nan 4.420 nan 0.000 0.271 130 P C -0.845 176.446 177.300 -0.015 0.000 1.218 130 P CA -0.230 62.850 63.100 -0.034 0.000 0.780 130 P CB 0.799 32.480 31.700 -0.031 0.000 0.901 131 A N 2.493 125.311 122.820 -0.002 0.000 2.425 131 A HA 0.199 4.519 4.320 -0.000 0.000 0.242 131 A C 1.651 179.242 177.584 0.010 0.000 1.077 131 A CA 0.301 52.343 52.037 0.009 0.000 0.781 131 A CB -0.275 18.738 19.000 0.021 0.000 1.020 131 A HN 0.628 nan 8.150 nan 0.000 0.494 132 S N 1.371 117.078 115.700 0.011 0.000 2.481 132 S HA 0.224 4.694 4.470 -0.000 0.000 0.231 132 S C 1.610 176.219 174.600 0.014 0.000 0.996 132 S CA 1.261 59.467 58.200 0.011 0.000 0.942 132 S CB -0.519 62.687 63.200 0.010 0.000 0.768 132 S HN 2.605 nan 8.310 nan 0.000 0.520 133 G N 1.946 110.757 108.800 0.019 0.000 2.284 133 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.261 133 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.261 133 G C 0.412 175.321 174.900 0.015 0.000 0.997 133 G CA 0.450 45.563 45.100 0.020 0.000 0.621 133 G HN 0.674 nan 8.290 nan 0.000 0.534 134 N N 1.371 120.078 118.700 0.013 0.000 2.410 134 N HA 0.356 5.096 4.740 -0.000 0.000 0.231 134 N C -0.023 175.492 175.510 0.009 0.000 1.172 134 N CA 0.177 53.233 53.050 0.010 0.000 0.849 134 N CB 0.268 38.760 38.487 0.009 0.000 1.116 134 N HN 0.565 nan 8.380 nan 0.000 0.485 135 E N 0.129 120.334 120.200 0.009 0.000 2.212 135 E HA 0.097 4.447 4.350 -0.000 0.000 0.268 135 E C 0.358 176.958 176.600 0.000 0.000 0.902 135 E CA -0.482 55.922 56.400 0.006 0.000 0.779 135 E CB 1.728 31.435 29.700 0.010 0.000 1.172 135 E HN 0.033 nan 8.360 nan 0.000 0.409 136 Q N 1.851 121.649 119.800 -0.004 0.000 2.297 136 Q HA 0.041 4.381 4.340 -0.000 0.000 0.203 136 Q C -0.117 175.868 176.000 -0.025 0.000 0.931 136 Q CA 1.047 56.843 55.803 -0.013 0.000 0.885 136 Q CB 0.486 29.217 28.738 -0.011 0.000 0.991 136 Q HN 0.093 nan 8.270 nan 0.000 0.498 137 K N 0.789 121.175 120.400 -0.023 0.000 2.185 137 K HA 0.234 4.554 4.320 -0.000 0.000 0.271 137 K C -0.394 176.185 176.600 -0.035 0.000 1.013 137 K CA -0.348 55.916 56.287 -0.038 0.000 0.943 137 K CB 0.815 33.300 32.500 -0.025 0.000 0.998 137 K HN 0.229 nan 8.250 nan 0.000 0.468 138 I N 4.617 125.143 120.570 -0.073 0.000 2.281 138 I HA 0.114 4.284 4.170 -0.000 0.000 0.293 138 I C 0.154 176.263 176.117 -0.014 0.000 1.085 138 I CA -0.531 60.733 61.300 -0.061 0.000 1.257 138 I CB 0.222 38.142 38.000 -0.133 0.000 1.430 138 I HN 0.289 nan 8.210 nan 0.000 0.489 139 I N 6.501 127.103 120.570 0.053 0.000 2.713 139 I HA 0.411 4.580 4.170 -0.000 0.000 0.300 139 I C 0.258 176.480 176.117 0.175 0.000 1.009 139 I CA -0.190 61.181 61.300 0.118 0.000 1.305 139 I CB 0.902 38.952 38.000 0.083 0.000 1.430 139 I HN 0.460 nan 8.210 nan 0.000 0.546 140 R N 3.788 124.427 120.500 0.231 0.000 2.508 140 R HA 0.507 4.847 4.340 -0.000 0.000 0.283 140 R C -1.808 174.570 176.300 0.130 0.000 1.120 140 R CA -0.469 55.758 56.100 0.211 0.000 0.958 140 R CB 1.135 31.645 30.300 0.351 0.000 1.215 140 R HN 0.520 nan 8.270 nan 0.000 0.427 141 L N 5.321 126.599 121.223 0.090 0.000 2.315 141 L HA 0.415 4.755 4.340 -0.000 0.000 0.283 141 L C -0.013 176.888 176.870 0.051 0.000 1.089 141 L CA 0.227 55.107 54.840 0.067 0.000 0.833 141 L CB 0.835 42.930 42.059 0.059 0.000 1.170 141 L HN 0.507 nan 8.230 nan 0.000 0.442 142 M N 3.978 123.596 119.600 0.031 0.000 2.436 142 M HA 0.603 5.083 4.480 -0.000 0.000 0.331 142 M C -0.875 175.456 176.300 0.052 0.000 1.135 142 M CA -0.781 54.521 55.300 0.003 0.000 0.987 142 M CB 2.486 35.039 32.600 -0.078 0.000 1.687 142 M HN 0.237 nan 8.290 nan 0.000 0.445 143 V N 0.458 120.412 119.914 0.067 0.000 2.735 143 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 143 V C -0.368 175.777 176.094 0.085 0.000 1.061 143 V CA -0.669 61.706 62.300 0.124 0.000 0.913 143 V CB 1.927 33.888 31.823 0.230 0.000 1.005 143 V HN 0.845 nan 8.190 nan 0.000 0.428 144 T N 2.985 117.603 114.554 0.107 0.000 2.893 144 T HA 0.646 4.996 4.350 -0.000 0.000 0.291 144 T C -1.198 173.598 174.700 0.160 0.000 1.028 144 T CA -0.513 61.657 62.100 0.117 0.000 0.995 144 T CB 1.693 70.610 68.868 0.082 0.000 1.051 144 T HN 0.700 nan 8.240 nan 0.000 0.470 145 Q N 1.994 121.926 119.800 0.221 0.000 2.309 145 Q HA 0.297 4.637 4.340 -0.000 0.000 0.273 145 Q C -0.924 175.163 176.000 0.146 0.000 1.040 145 Q CA -0.686 55.215 55.803 0.163 0.000 0.834 145 Q CB 2.580 31.398 28.738 0.133 0.000 1.345 145 Q HN 0.668 nan 8.270 nan 0.000 0.414 146 Q N 1.117 120.968 119.800 0.086 0.000 2.428 146 Q HA -0.028 4.312 4.340 -0.000 0.000 0.276 146 Q C 1.234 177.270 176.000 0.060 0.000 1.059 146 Q CA -0.079 55.767 55.803 0.071 0.000 0.923 146 Q CB 0.715 29.481 28.738 0.045 0.000 1.283 146 Q HN 0.503 nan 8.270 nan 0.000 0.447 147 L N 2.884 124.145 121.223 0.063 0.000 1.990 147 L HA -0.285 4.055 4.340 -0.000 0.000 0.213 147 L C 2.220 179.098 176.870 0.014 0.000 1.072 147 L CA 2.132 57.001 54.840 0.049 0.000 0.755 147 L CB -0.482 41.604 42.059 0.046 0.000 0.889 147 L HN 0.798 nan 8.230 nan 0.000 0.432 148 E N -0.766 119.442 120.200 0.013 0.000 2.204 148 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 148 E C 1.918 178.520 176.600 0.003 0.000 0.990 148 E CA 1.545 57.949 56.400 0.006 0.000 0.821 148 E CB -0.717 28.987 29.700 0.007 0.000 0.750 148 E HN 0.723 nan 8.360 nan 0.000 0.477 149 Q N 0.675 120.471 119.800 -0.008 0.000 2.369 149 Q HA -0.044 4.296 4.340 -0.000 0.000 0.206 149 Q C 2.198 178.189 176.000 -0.015 0.000 0.963 149 Q CA 1.579 57.368 55.803 -0.023 0.000 0.894 149 Q CB 0.160 28.866 28.738 -0.053 0.000 0.965 149 Q HN 0.416 nan 8.270 nan 0.000 0.475 150 V N -5.058 114.819 119.914 -0.062 0.000 3.645 150 V HA 0.287 4.407 4.120 -0.000 0.000 0.275 150 V C 0.420 176.470 176.094 -0.073 0.000 1.356 150 V CA 0.303 62.537 62.300 -0.111 0.000 1.051 150 V CB 1.299 32.852 31.823 -0.452 0.000 0.828 150 V HN 0.050 nan 8.190 nan 0.000 0.441 151 T N -0.685 113.844 114.554 -0.041 0.000 2.942 151 T HA 0.374 4.724 4.350 -0.000 0.000 0.327 151 T C -0.908 173.780 174.700 -0.019 0.000 1.360 151 T CA -0.130 61.945 62.100 -0.041 0.000 1.055 151 T CB 2.009 70.850 68.868 -0.045 0.000 1.261 151 T HN 0.135 nan 8.240 nan 0.000 0.485 152 D N 2.064 122.450 120.400 -0.024 0.000 2.340 152 D HA 0.252 4.892 4.640 -0.000 0.000 0.220 152 D C 0.735 177.027 176.300 -0.013 0.000 1.039 152 D CA 0.245 54.236 54.000 -0.015 0.000 0.866 152 D CB 0.177 40.966 40.800 -0.018 0.000 0.913 152 D HN 0.537 nan 8.370 nan 0.000 0.523 153 I N 2.480 123.041 120.570 -0.015 0.000 2.471 153 I HA 0.092 4.262 4.170 -0.000 0.000 0.286 153 I C -2.022 174.092 176.117 -0.005 0.000 1.079 153 I CA -1.593 59.700 61.300 -0.011 0.000 1.398 153 I CB 0.834 38.826 38.000 -0.013 0.000 1.403 153 I HN -0.343 nan 8.210 nan 0.000 0.530 154 P HA 0.060 nan 4.420 nan 0.000 0.271 154 P C 0.413 177.714 177.300 0.003 0.000 1.216 154 P CA -0.110 62.990 63.100 -0.000 0.000 0.776 154 P CB 0.879 32.578 31.700 -0.002 0.000 0.881 155 A N 2.668 125.493 122.820 0.007 0.000 1.903 155 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 155 A C 2.054 179.642 177.584 0.007 0.000 1.191 155 A CA 2.413 54.457 52.037 0.012 0.000 0.638 155 A CB -1.748 17.261 19.000 0.015 0.000 0.823 155 A HN 0.562 nan 8.150 nan 0.000 0.451 156 S N -0.707 114.995 115.700 0.004 0.000 2.469 156 S HA -0.143 4.327 4.470 -0.000 0.000 0.238 156 S C 1.527 176.127 174.600 -0.001 0.000 0.998 156 S CA 1.451 59.651 58.200 0.001 0.000 0.957 156 S CB -0.144 63.055 63.200 -0.000 0.000 0.764 156 S HN 0.744 nan 8.310 nan 0.000 0.514 157 Q N -0.056 119.743 119.800 -0.002 0.000 2.171 157 Q HA 0.342 4.682 4.340 -0.000 0.000 0.218 157 Q C -0.386 175.611 176.000 -0.005 0.000 0.822 157 Q CA -0.254 55.546 55.803 -0.004 0.000 0.987 157 Q CB 0.336 29.071 28.738 -0.005 0.000 1.144 157 Q HN 0.440 nan 8.270 nan 0.000 0.494 158 L N 2.653 123.875 121.223 -0.003 0.000 2.529 158 L HA 0.040 4.380 4.340 -0.000 0.000 0.287 158 L C -1.844 175.022 176.870 -0.008 0.000 1.241 158 L CA -1.254 53.584 54.840 -0.004 0.000 0.857 158 L CB -0.200 41.858 42.059 -0.001 0.000 1.113 158 L HN -0.002 nan 8.230 nan 0.000 0.504 159 P HA 0.118 nan 4.420 nan 0.000 0.273 159 P C -0.873 176.419 177.300 -0.013 0.000 1.250 159 P CA -0.531 62.561 63.100 -0.012 0.000 0.793 159 P CB 0.451 32.143 31.700 -0.014 0.000 1.011 160 A N 0.997 123.809 122.820 -0.013 0.000 2.462 160 A HA 0.476 4.796 4.320 -0.000 0.000 0.243 160 A C 0.617 178.191 177.584 -0.017 0.000 1.076 160 A CA -0.032 51.996 52.037 -0.014 0.000 0.773 160 A CB -0.725 18.269 19.000 -0.011 0.000 1.010 160 A HN 0.661 nan 8.150 nan 0.000 0.493 161 A N 1.325 124.131 122.820 -0.023 0.000 2.586 161 A HA 0.447 4.767 4.320 -0.000 0.000 0.231 161 A C 1.562 179.136 177.584 -0.017 0.000 1.055 161 A CA 0.918 52.940 52.037 -0.025 0.000 0.756 161 A CB -0.630 18.349 19.000 -0.034 0.000 0.988 161 A HN 2.821 nan 8.150 nan 0.000 0.509 162 G N 1.187 109.979 108.800 -0.013 0.000 2.171 162 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.238 162 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.238 162 G C -0.222 174.673 174.900 -0.007 0.000 1.039 162 G CA 0.217 45.313 45.100 -0.006 0.000 0.759 162 G HN 1.004 nan 8.290 nan 0.000 0.501 163 N N -0.517 118.177 118.700 -0.011 0.000 2.396 163 N HA 0.233 4.973 4.740 -0.000 0.000 0.275 163 N C -0.964 174.536 175.510 -0.017 0.000 1.218 163 N CA -0.767 52.274 53.050 -0.015 0.000 0.812 163 N CB 1.227 39.704 38.487 -0.016 0.000 1.592 163 N HN 0.276 nan 8.380 nan 0.000 0.480 164 N N -0.000 118.685 118.700 -0.024 0.000 2.472 164 N HA 0.251 4.991 4.740 -0.000 0.000 0.277 164 N C -0.638 174.857 175.510 -0.025 0.000 1.081 164 N CA -0.390 52.644 53.050 -0.026 0.000 0.973 164 N CB 2.177 40.639 38.487 -0.041 0.000 1.105 164 N HN 0.134 nan 8.380 nan 0.000 0.470 165 V N 4.074 123.978 119.914 -0.017 0.000 2.472 165 V HA 0.374 4.494 4.120 -0.000 0.000 0.290 165 V C -2.249 173.832 176.094 -0.023 0.000 1.037 165 V CA -2.339 59.951 62.300 -0.016 0.000 0.908 165 V CB 1.403 33.223 31.823 -0.005 0.000 0.985 165 V HN 0.574 nan 8.190 nan 0.000 0.454 166 P HA 0.078 nan 4.420 nan 0.000 0.260 166 P C -0.855 176.416 177.300 -0.048 0.000 1.185 166 P CA 0.610 63.685 63.100 -0.041 0.000 0.763 166 P CB 0.311 31.987 31.700 -0.040 0.000 0.776 167 V N 1.558 121.434 119.914 -0.063 0.000 3.046 167 V HA 0.535 4.655 4.120 -0.000 0.000 0.316 167 V C 0.916 176.926 176.094 -0.140 0.000 1.104 167 V CA -0.675 61.572 62.300 -0.088 0.000 1.006 167 V CB 2.451 34.224 31.823 -0.083 0.000 1.058 167 V HN 0.503 nan 8.190 nan 0.000 0.440 168 K N -0.043 120.238 120.400 -0.198 0.000 2.370 168 K HA 0.366 4.686 4.320 -0.000 0.000 0.194 168 K C -0.437 175.760 176.600 -0.672 0.000 1.070 168 K CA 0.021 56.079 56.287 -0.382 0.000 0.998 168 K CB 0.326 32.573 32.500 -0.421 0.000 0.911 168 K HN 0.671 nan 8.250 nan 0.000 0.533 169 Y N 0.551 120.782 120.300 -0.115 0.000 2.534 169 Y HA 0.497 5.047 4.550 -0.000 0.000 0.345 169 Y C -0.566 175.222 175.900 -0.187 0.000 1.031 169 Y CA -1.237 56.790 58.100 -0.122 0.000 1.022 169 Y CB 2.448 40.824 38.460 -0.139 0.000 1.292 169 Y HN -0.220 nan 8.280 nan 0.000 0.459 170 R N 1.660 122.202 120.500 0.070 0.000 2.698 170 R HA 0.595 4.935 4.340 -0.000 0.000 0.275 170 R C -2.100 174.305 176.300 0.175 0.000 1.001 170 R CA -1.198 54.936 56.100 0.057 0.000 0.896 170 R CB 2.196 32.561 30.300 0.109 0.000 1.218 170 R HN 0.384 nan 8.270 nan 0.000 0.462 171 L N 2.256 123.676 121.223 0.329 0.000 2.295 171 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 171 L C 0.144 177.208 176.870 0.324 0.000 1.018 171 L CA 0.146 55.212 54.840 0.376 0.000 0.841 171 L CB 1.352 43.672 42.059 0.434 0.000 1.218 171 L HN 0.876 nan 8.230 nan 0.000 0.424 172 T N -1.535 113.166 114.554 0.247 0.000 2.572 172 T HA 0.698 5.048 4.350 -0.000 0.000 0.274 172 T C -0.937 173.829 174.700 0.110 0.000 0.949 172 T CA -0.799 61.396 62.100 0.158 0.000 1.126 172 T CB 1.775 70.714 68.868 0.119 0.000 1.478 172 T HN 0.356 nan 8.240 nan 0.000 0.492 173 D N -0.467 119.977 120.400 0.073 0.000 2.374 173 D HA 0.521 5.161 4.640 -0.000 0.000 0.239 173 D C -1.033 175.292 176.300 0.042 0.000 0.991 173 D CA -0.972 53.053 54.000 0.042 0.000 0.960 173 D CB 1.625 42.443 40.800 0.030 0.000 1.284 173 D HN 0.588 nan 8.370 nan 0.000 0.512 174 L N 1.081 122.336 121.223 0.055 0.000 2.406 174 L HA 0.266 4.606 4.340 -0.000 0.000 0.270 174 L C -0.801 176.127 176.870 0.097 0.000 0.982 174 L CA -0.954 53.918 54.840 0.053 0.000 0.843 174 L CB 1.705 43.778 42.059 0.024 0.000 1.225 174 L HN 0.386 nan 8.230 nan 0.000 0.412 175 M N 4.463 124.088 119.600 0.042 0.000 2.264 175 M HA 0.172 4.652 4.480 -0.000 0.000 0.340 175 M C -0.459 175.872 176.300 0.053 0.000 1.420 175 M CA 0.573 55.894 55.300 0.035 0.000 1.254 175 M CB 0.114 32.686 32.600 -0.046 0.000 1.575 175 M HN 0.338 nan 8.290 nan 0.000 0.452 176 Q N 4.133 124.017 119.800 0.140 0.000 2.454 176 Q HA 0.308 4.648 4.340 -0.000 0.000 0.255 176 Q C -0.518 175.548 176.000 0.110 0.000 1.034 176 Q CA -0.336 55.495 55.803 0.048 0.000 0.736 176 Q CB 0.842 29.468 28.738 -0.187 0.000 1.210 176 Q HN 0.686 nan 8.270 nan 0.000 0.500 177 N N 1.442 120.169 118.700 0.044 0.000 2.780 177 N HA -0.199 4.541 4.740 -0.000 0.000 0.247 177 N C 0.666 176.195 175.510 0.032 0.000 1.076 177 N CA 1.105 54.175 53.050 0.034 0.000 0.688 177 N CB -1.013 37.499 38.487 0.041 0.000 0.957 177 N HN 1.085 nan 8.380 nan 0.000 0.551 178 G N -1.186 107.619 108.800 0.008 0.000 2.257 178 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 178 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 178 G C 0.207 175.098 174.900 -0.016 0.000 0.984 178 G CA 1.492 46.581 45.100 -0.018 0.000 0.626 178 G HN 1.204 nan 8.290 nan 0.000 0.540 179 T N -0.763 113.806 114.554 0.025 0.000 2.795 179 T HA 0.574 4.924 4.350 -0.000 0.000 0.282 179 T C 0.060 174.740 174.700 -0.033 0.000 0.980 179 T CA 0.340 62.420 62.100 -0.033 0.000 1.012 179 T CB 1.661 70.497 68.868 -0.054 0.000 0.936 179 T HN 0.508 nan 8.240 nan 0.000 0.457 180 Q N 3.604 123.326 119.800 -0.130 0.000 2.286 180 Q HA 0.293 4.633 4.340 -0.000 0.000 0.257 180 Q C -1.456 174.393 176.000 -0.253 0.000 0.941 180 Q CA -0.499 55.248 55.803 -0.093 0.000 0.912 180 Q CB 0.459 29.144 28.738 -0.088 0.000 1.192 180 Q HN 0.777 nan 8.270 nan 0.000 0.410 181 Y N 1.937 122.188 120.300 -0.082 0.000 2.534 181 Y HA 0.453 5.003 4.550 -0.000 0.000 0.329 181 Y C 0.213 176.017 175.900 -0.160 0.000 1.154 181 Y CA -0.850 57.181 58.100 -0.113 0.000 1.192 181 Y CB 1.747 40.149 38.460 -0.096 0.000 1.275 181 Y HN 0.483 nan 8.280 nan 0.000 0.491 182 M N 2.148 121.669 119.600 -0.131 0.000 2.243 182 M HA 0.674 5.154 4.480 -0.000 0.000 0.324 182 M C -0.821 175.173 176.300 -0.511 0.000 1.031 182 M CA -0.550 54.545 55.300 -0.341 0.000 0.949 182 M CB 1.614 33.882 32.600 -0.552 0.000 1.615 182 M HN 0.778 nan 8.290 nan 0.000 0.430 183 A N 3.684 126.422 122.820 -0.137 0.000 2.485 183 A HA 0.862 5.182 4.320 -0.000 0.000 0.292 183 A C -1.368 176.458 177.584 0.402 0.000 1.147 183 A CA -0.782 51.334 52.037 0.131 0.000 0.750 183 A CB 1.750 20.801 19.000 0.085 0.000 1.331 183 A HN 0.915 nan 8.150 nan 0.000 0.419 184 I N 2.027 122.816 120.570 0.365 0.000 2.330 184 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 184 I C -0.626 175.608 176.117 0.195 0.000 1.001 184 I CA -0.988 60.466 61.300 0.257 0.000 1.193 184 I CB 0.306 38.384 38.000 0.130 0.000 1.345 184 I HN 0.634 nan 8.210 nan 0.000 0.461 185 I N 5.110 125.784 120.570 0.175 0.000 2.783 185 I HA 1.002 5.172 4.170 -0.000 0.000 0.312 185 I C 0.218 176.427 176.117 0.153 0.000 0.988 185 I CA -0.423 60.953 61.300 0.125 0.000 1.182 185 I CB 1.630 39.667 38.000 0.062 0.000 1.368 185 I HN 0.630 nan 8.210 nan 0.000 0.511 186 G N 0.471 109.323 108.800 0.086 0.000 2.428 186 G HA2 0.525 4.485 3.960 -0.000 0.000 0.304 186 G HA3 0.525 4.485 3.960 -0.000 0.000 0.304 186 G C -0.042 174.846 174.900 -0.020 0.000 1.303 186 G CA -0.107 44.988 45.100 -0.007 0.000 0.825 186 G HN 1.422 nan 8.290 nan 0.000 0.484 187 G N -1.119 107.635 108.800 -0.077 0.000 2.349 187 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.213 187 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.213 187 G C 0.698 175.574 174.900 -0.041 0.000 1.044 187 G CA 0.747 45.831 45.100 -0.026 0.000 0.633 187 G HN 1.915 nan 8.290 nan 0.000 0.506 188 I N -0.888 119.651 120.570 -0.052 0.000 2.947 188 I HA 0.753 4.923 4.170 -0.000 0.000 0.314 188 I C -2.499 173.581 176.117 -0.062 0.000 1.028 188 I CA -2.877 58.397 61.300 -0.045 0.000 1.077 188 I CB 1.411 39.391 38.000 -0.034 0.000 1.274 188 I HN -0.127 nan 8.210 nan 0.000 0.485 189 P HA 0.199 nan 4.420 nan 0.000 0.257 189 P C -0.826 176.444 177.300 -0.050 0.000 1.227 189 P CA 0.676 63.745 63.100 -0.052 0.000 0.981 189 P CB 0.172 31.851 31.700 -0.035 0.000 1.044 190 M N 1.098 120.659 119.600 -0.065 0.000 2.613 190 M HA 0.491 4.971 4.480 -0.000 0.000 0.301 190 M C 0.520 176.790 176.300 -0.051 0.000 1.205 190 M CA -0.262 55.006 55.300 -0.052 0.000 0.950 190 M CB 1.800 34.368 32.600 -0.053 0.000 1.585 190 M HN 0.053 nan 8.290 nan 0.000 0.490 191 T N 0.521 115.052 114.554 -0.039 0.000 2.903 191 T HA 0.698 5.048 4.350 -0.000 0.000 0.299 191 T C -1.713 172.976 174.700 -0.018 0.000 1.093 191 T CA -0.527 61.551 62.100 -0.036 0.000 1.002 191 T CB 1.850 70.687 68.868 -0.052 0.000 1.127 191 T HN 0.414 nan 8.240 nan 0.000 0.488 192 V N 5.233 125.144 119.914 -0.006 0.000 2.686 192 V HA 0.519 4.639 4.120 -0.000 0.000 0.306 192 V C -2.309 173.778 176.094 -0.011 0.000 1.065 192 V CA -2.045 60.260 62.300 0.008 0.000 0.894 192 V CB 2.529 34.409 31.823 0.095 0.000 1.004 192 V HN 0.734 nan 8.190 nan 0.000 0.424 193 P HA 0.068 nan 4.420 nan 0.000 0.263 193 P C -0.417 176.872 177.300 -0.018 0.000 1.195 193 P CA 0.284 63.372 63.100 -0.020 0.000 0.762 193 P CB 0.822 32.524 31.700 0.003 0.000 0.799 194 V N 5.346 125.252 119.914 -0.014 0.000 2.488 194 V HA 0.165 4.285 4.120 -0.000 0.000 0.277 194 V C 1.029 177.104 176.094 -0.031 0.000 1.046 194 V CA -0.100 62.186 62.300 -0.023 0.000 0.986 194 V CB 1.102 32.913 31.823 -0.020 0.000 0.989 194 V HN 0.463 nan 8.190 nan 0.000 0.475 195 V N 1.620 121.502 119.914 -0.054 0.000 3.113 195 V HA 0.683 4.803 4.120 -0.000 0.000 0.316 195 V C -0.597 175.431 176.094 -0.109 0.000 1.125 195 V CA -0.877 61.386 62.300 -0.062 0.000 1.026 195 V CB 2.359 34.150 31.823 -0.053 0.000 1.080 195 V HN 0.719 nan 8.190 nan 0.000 0.444 196 D N 1.668 122.006 120.400 -0.103 0.000 2.381 196 D HA 0.608 5.248 4.640 -0.000 0.000 0.235 196 D C -0.238 175.969 176.300 -0.154 0.000 1.068 196 D CA -0.077 53.846 54.000 -0.129 0.000 0.832 196 D CB 1.950 42.705 40.800 -0.074 0.000 1.101 196 D HN 1.088 nan 8.370 nan 0.000 0.515 197 A N 3.241 125.900 122.820 -0.270 0.000 2.362 197 A HA 0.442 4.762 4.320 -0.000 0.000 0.276 197 A C -0.176 177.379 177.584 -0.048 0.000 1.153 197 A CA -0.340 51.550 52.037 -0.245 0.000 0.813 197 A CB 0.737 19.348 19.000 -0.648 0.000 1.081 197 A HN 0.377 nan 8.150 nan 0.000 0.507 198 V N 5.649 125.601 119.914 0.064 0.000 2.555 198 V HA 0.423 4.543 4.120 -0.000 0.000 0.302 198 V C -2.075 174.141 176.094 0.202 0.000 1.038 198 V CA -1.686 60.684 62.300 0.117 0.000 0.887 198 V CB 1.998 33.848 31.823 0.045 0.000 0.991 198 V HN 0.878 nan 8.190 nan 0.000 0.434 199 P HA 0.085 nan 4.420 nan 0.000 0.268 199 P C -0.649 176.628 177.300 -0.038 0.000 1.204 199 P CA 0.183 63.304 63.100 0.036 0.000 0.768 199 P CB 0.984 32.705 31.700 0.034 0.000 0.842 200 V N 6.205 126.050 119.914 -0.114 0.000 2.407 200 V HA 0.228 4.348 4.120 -0.000 0.000 0.278 200 V C -1.712 174.313 176.094 -0.114 0.000 1.037 200 V CA -2.017 60.224 62.300 -0.097 0.000 0.900 200 V CB 0.990 32.749 31.823 -0.106 0.000 0.983 200 V HN 0.575 nan 8.190 nan 0.000 0.459 201 P HA 0.027 nan 4.420 nan 0.000 0.268 201 P C -0.658 176.564 177.300 -0.130 0.000 1.204 201 P CA -0.113 62.928 63.100 -0.099 0.000 0.768 201 P CB 0.705 32.358 31.700 -0.078 0.000 0.842 202 D N 3.079 123.412 120.400 -0.112 0.000 2.352 202 D HA 0.045 4.685 4.640 -0.000 0.000 0.245 202 D C 1.134 177.369 176.300 -0.107 0.000 1.224 202 D CA -0.191 53.740 54.000 -0.115 0.000 0.879 202 D CB 0.411 41.163 40.800 -0.081 0.000 1.057 202 D HN 0.045 nan 8.370 nan 0.000 0.491 203 R N 1.287 121.692 120.500 -0.157 0.000 2.237 203 R HA -0.076 4.264 4.340 -0.000 0.000 0.219 203 R C 2.097 178.371 176.300 -0.042 0.000 1.080 203 R CA 1.065 57.090 56.100 -0.124 0.000 0.995 203 R CB -0.034 30.125 30.300 -0.235 0.000 0.875 203 R HN 0.433 nan 8.270 nan 0.000 0.462 204 S N -1.412 114.269 115.700 -0.031 0.000 2.478 204 S HA 0.076 4.546 4.470 -0.000 0.000 0.222 204 S C 1.052 175.654 174.600 0.003 0.000 1.008 204 S CA -0.066 58.141 58.200 0.012 0.000 0.928 204 S CB 0.292 63.508 63.200 0.025 0.000 0.781 204 S HN 0.059 nan 8.310 nan 0.000 0.518 205 R N 2.097 122.588 120.500 -0.015 0.000 2.585 205 R HA 0.473 4.812 4.340 -0.000 0.000 0.278 205 R C -3.179 173.110 176.300 -0.019 0.000 1.663 205 R CA -2.055 54.037 56.100 -0.013 0.000 1.592 205 R CB 0.968 31.259 30.300 -0.016 0.000 1.200 205 R HN 0.223 nan 8.270 nan 0.000 0.611 206 P HA 0.140 nan 4.420 nan 0.000 0.269 206 P C 0.624 177.915 177.300 -0.015 0.000 1.215 206 P CA 0.854 63.945 63.100 -0.016 0.000 0.780 206 P CB 1.114 32.810 31.700 -0.007 0.000 0.898 207 G N 0.740 109.530 108.800 -0.017 0.000 2.454 207 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.225 207 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.225 207 G C 0.462 175.350 174.900 -0.019 0.000 1.138 207 G CA 0.439 45.530 45.100 -0.014 0.000 0.667 207 G HN 0.883 nan 8.290 nan 0.000 0.512 208 T N 0.590 115.130 114.554 -0.023 0.000 2.913 208 T HA 0.605 4.955 4.350 -0.000 0.000 0.287 208 T C 0.186 174.860 174.700 -0.044 0.000 1.008 208 T CA 0.012 62.095 62.100 -0.029 0.000 1.067 208 T CB 1.416 70.267 68.868 -0.028 0.000 0.996 208 T HN 0.348 nan 8.240 nan 0.000 0.513 209 N N 1.452 120.121 118.700 -0.052 0.000 2.482 209 N HA 0.389 5.129 4.740 -0.000 0.000 0.279 209 N C -0.170 175.280 175.510 -0.099 0.000 1.182 209 N CA -0.682 52.322 53.050 -0.077 0.000 0.969 209 N CB 1.029 39.470 38.487 -0.076 0.000 1.201 209 N HN 0.652 nan 8.380 nan 0.000 0.523 210 I N 0.979 121.471 120.570 -0.130 0.000 2.517 210 I HA -0.007 4.163 4.170 -0.000 0.000 0.285 210 I C 1.271 177.283 176.117 -0.175 0.000 1.106 210 I CA -0.017 61.201 61.300 -0.137 0.000 1.402 210 I CB 0.287 38.200 38.000 -0.145 0.000 1.399 210 I HN 0.185 nan 8.210 nan 0.000 0.535 211 K N 6.416 126.738 120.400 -0.129 0.000 2.472 211 K HA -0.067 4.253 4.320 -0.000 0.000 0.280 211 K C -0.199 176.303 176.600 -0.162 0.000 1.028 211 K CA 0.145 56.356 56.287 -0.126 0.000 1.045 211 K CB 0.241 32.698 32.500 -0.071 0.000 0.902 211 K HN 0.605 nan 8.250 nan 0.000 0.478 212 D N 1.157 121.429 120.400 -0.212 0.000 2.772 212 D HA -0.156 4.484 4.640 -0.000 0.000 0.233 212 D C -1.344 174.815 176.300 -0.235 0.000 1.143 212 D CA 0.717 54.617 54.000 -0.167 0.000 0.700 212 D CB -0.786 39.991 40.800 -0.038 0.000 1.076 212 D HN 0.172 nan 8.370 nan 0.000 0.430 213 V N 0.769 120.369 119.914 -0.524 0.000 2.623 213 V HA 0.552 4.672 4.120 -0.000 0.000 0.304 213 V C -0.592 175.138 176.094 -0.607 0.000 1.054 213 V CA -0.751 61.349 62.300 -0.334 0.000 0.882 213 V CB 1.818 33.522 31.823 -0.199 0.000 1.002 213 V HN 0.082 nan 8.190 nan 0.000 0.424 214 Y N 1.746 122.096 120.300 0.084 0.000 2.576 214 Y HA 0.709 5.259 4.550 -0.000 0.000 0.346 214 Y C 0.310 176.239 175.900 0.049 0.000 1.018 214 Y CA -0.866 57.291 58.100 0.096 0.000 1.050 214 Y CB 2.455 41.053 38.460 0.231 0.000 1.280 214 Y HN 0.592 nan 8.280 nan 0.000 0.474 215 S N 0.955 116.741 115.700 0.145 0.000 2.482 215 S HA 0.965 5.435 4.470 -0.000 0.000 0.303 215 S C -0.972 173.635 174.600 0.012 0.000 1.091 215 S CA -0.611 57.626 58.200 0.062 0.000 1.057 215 S CB 1.721 64.942 63.200 0.035 0.000 1.031 215 S HN 0.998 nan 8.310 nan 0.000 0.485 216 A N 2.920 125.725 122.820 -0.025 0.000 2.414 216 A HA 0.828 5.148 4.320 -0.000 0.000 0.306 216 A C -2.913 174.646 177.584 -0.041 0.000 1.054 216 A CA -2.048 49.944 52.037 -0.075 0.000 0.724 216 A CB 1.398 20.302 19.000 -0.160 0.000 1.267 216 A HN 0.676 nan 8.150 nan 0.000 0.418 217 P HA 0.124 nan 4.420 nan 0.000 0.241 217 P C 0.697 178.002 177.300 0.008 0.000 1.760 217 P CA 0.139 63.241 63.100 0.002 0.000 1.081 217 P CB 0.194 31.896 31.700 0.004 0.000 1.975 218 V N 0.965 120.870 119.914 -0.014 0.000 2.358 218 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 218 V C 1.942 178.068 176.094 0.053 0.000 1.047 218 V CA 1.738 64.028 62.300 -0.018 0.000 1.035 218 V CB -1.065 30.686 31.823 -0.119 0.000 0.658 218 V HN 0.611 nan 8.190 nan 0.000 0.452 219 S N -0.302 115.444 115.700 0.077 0.000 4.054 219 S HA -0.195 4.275 4.470 -0.000 0.000 0.618 219 S C -2.271 172.401 174.600 0.120 0.000 2.026 219 S CA 1.160 59.429 58.200 0.114 0.000 4.205 219 S CB -2.050 61.167 63.200 0.029 0.000 0.233 219 S HN 0.550 nan 8.310 nan 0.000 0.612 220 P HA 0.368 nan 4.420 nan 0.000 0.278 220 P C 0.146 177.444 177.300 -0.003 0.000 1.238 220 P CA 0.256 63.322 63.100 -0.056 0.000 0.794 220 P CB 0.373 31.959 31.700 -0.190 0.000 0.955 221 N N -1.156 117.532 118.700 -0.020 0.000 2.927 221 N HA -0.169 4.571 4.740 -0.000 0.000 0.220 221 N C 0.123 175.633 175.510 -0.000 0.000 0.845 221 N CA 1.243 54.285 53.050 -0.014 0.000 1.089 221 N CB -1.314 37.160 38.487 -0.021 0.000 0.994 221 N HN 0.451 nan 8.380 nan 0.000 0.616 222 L N 2.501 123.746 121.223 0.037 0.000 2.439 222 L HA 0.380 4.720 4.340 -0.000 0.000 0.259 222 L C -1.467 175.454 176.870 0.086 0.000 1.129 222 L CA -1.373 53.485 54.840 0.029 0.000 0.803 222 L CB 0.225 42.333 42.059 0.082 0.000 1.161 222 L HN -0.045 nan 8.230 nan 0.000 0.462 223 P HA 0.042 nan 4.420 nan 0.000 0.272 223 P C -1.159 176.290 177.300 0.248 0.000 1.230 223 P CA -0.481 62.683 63.100 0.107 0.000 0.788 223 P CB 0.459 32.185 31.700 0.044 0.000 0.949 224 D N 0.611 121.104 120.400 0.156 0.000 2.533 224 D HA 0.049 4.689 4.640 -0.000 0.000 0.236 224 D C 0.190 176.594 176.300 0.173 0.000 1.137 224 D CA 0.283 54.361 54.000 0.130 0.000 0.867 224 D CB -0.123 40.716 40.800 0.065 0.000 1.170 224 D HN 0.175 nan 8.370 nan 0.000 0.474 225 L N 3.323 124.594 121.223 0.080 0.000 2.380 225 L HA 0.232 4.572 4.340 -0.000 0.000 0.273 225 L C -0.754 176.119 176.870 0.004 0.000 1.138 225 L CA -0.217 54.610 54.840 -0.021 0.000 0.832 225 L CB 1.211 43.108 42.059 -0.269 0.000 1.124 225 L HN 0.150 nan 8.230 nan 0.000 0.454 226 V N 6.740 126.668 119.914 0.024 0.000 2.407 226 V HA 0.331 4.451 4.120 -0.000 0.000 0.278 226 V C -0.007 176.103 176.094 0.027 0.000 1.037 226 V CA -0.425 61.896 62.300 0.034 0.000 0.900 226 V CB 1.318 33.160 31.823 0.032 0.000 0.983 226 V HN 0.581 nan 8.190 nan 0.000 0.459 227 L N 4.576 125.854 121.223 0.092 0.000 2.298 227 L HA 0.453 4.793 4.340 -0.000 0.000 0.284 227 L C 0.330 177.286 176.870 0.143 0.000 1.013 227 L CA 0.011 54.931 54.840 0.133 0.000 0.824 227 L CB 1.809 44.028 42.059 0.266 0.000 1.221 227 L HN 0.582 nan 8.230 nan 0.000 0.418 228 S N 2.437 118.171 115.700 0.057 0.000 2.464 228 S HA 0.217 4.687 4.470 -0.000 0.000 0.313 228 S C 0.813 175.418 174.600 0.008 0.000 1.078 228 S CA -0.761 57.452 58.200 0.022 0.000 1.096 228 S CB 0.658 63.852 63.200 -0.010 0.000 1.032 228 S HN 0.482 nan 8.310 nan 0.000 0.498 229 V N 3.916 123.848 119.914 0.029 0.000 3.649 229 V HA 0.364 4.484 4.120 -0.000 0.000 0.275 229 V C 1.804 177.859 176.094 -0.064 0.000 1.281 229 V CA 0.927 63.194 62.300 -0.055 0.000 1.143 229 V CB -0.808 30.914 31.823 -0.168 0.000 0.892 229 V HN 0.708 nan 8.190 nan 0.000 0.441 230 G N 2.174 110.952 108.800 -0.037 0.000 2.511 230 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 230 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 230 G C 1.130 175.995 174.900 -0.059 0.000 1.218 230 G CA 1.053 46.128 45.100 -0.042 0.000 0.788 230 G HN 0.833 nan 8.290 nan 0.000 0.560 231 Q N -0.306 119.459 119.800 -0.058 0.000 2.936 231 Q HA 0.559 4.899 4.340 -0.000 0.000 0.383 231 Q C 1.270 177.206 176.000 -0.107 0.000 1.167 231 Q CA -0.412 55.354 55.803 -0.062 0.000 1.038 231 Q CB 0.634 29.354 28.738 -0.030 0.000 1.409 231 Q HN 0.431 nan 8.270 nan 0.000 0.448 232 M N 1.159 120.656 119.600 -0.172 0.000 2.296 232 M HA -0.064 4.415 4.480 -0.000 0.000 0.265 232 M C 0.169 176.112 176.300 -0.595 0.000 1.064 232 M CA 1.707 56.816 55.300 -0.319 0.000 1.109 232 M CB 0.298 32.763 32.600 -0.225 0.000 1.396 232 M HN 0.466 nan 8.290 nan 0.000 0.430 233 N N -0.551 117.948 118.700 -0.334 0.000 2.204 233 N HA 0.083 4.823 4.740 -0.000 0.000 0.219 233 N C -0.485 174.988 175.510 -0.062 0.000 1.151 233 N CA 0.030 52.927 53.050 -0.254 0.000 0.867 233 N CB 0.473 38.890 38.487 -0.116 0.000 1.043 233 N HN 0.338 nan 8.380 nan 0.000 0.516 234 T N -0.754 113.798 114.554 -0.004 0.000 2.937 234 T HA 0.132 4.482 4.350 -0.000 0.000 0.316 234 T C -2.443 172.325 174.700 0.114 0.000 1.079 234 T CA -1.239 60.898 62.100 0.062 0.000 1.131 234 T CB 0.429 69.326 68.868 0.047 0.000 1.000 234 T HN -0.128 nan 8.240 nan 0.000 0.549 235 P HA 0.197 nan 4.420 nan 0.000 0.261 235 P C -0.897 176.348 177.300 -0.092 0.000 1.183 235 P CA -0.157 62.945 63.100 0.003 0.000 0.761 235 P CB 0.289 31.995 31.700 0.010 0.000 0.785 236 V N 5.969 125.732 119.914 -0.252 0.000 2.284 236 V HA 0.314 4.434 4.120 -0.000 0.000 0.274 236 V C 0.734 176.638 176.094 -0.315 0.000 1.023 236 V CA -0.257 61.723 62.300 -0.533 0.000 0.808 236 V CB 0.843 31.800 31.823 -1.444 0.000 1.035 236 V HN 0.437 nan 8.190 nan 0.000 0.445 237 R N 2.623 123.057 120.500 -0.110 0.000 3.220 237 R HA 0.291 4.631 4.340 -0.000 0.000 0.324 237 R C 0.186 176.525 176.300 0.065 0.000 1.283 237 R CA -0.087 56.042 56.100 0.047 0.000 1.387 237 R CB 0.904 31.232 30.300 0.046 0.000 1.413 237 R HN 0.695 nan 8.270 nan 0.000 0.610 238 S N -0.103 115.639 115.700 0.070 0.000 2.130 238 S HA 0.158 4.628 4.470 -0.000 0.000 0.165 238 S C -0.288 174.480 174.600 0.280 0.000 1.677 238 S CA -0.945 57.316 58.200 0.102 0.000 1.227 238 S CB 0.205 63.410 63.200 0.008 0.000 1.115 238 S HN 0.534 nan 8.310 nan 0.000 0.452 239 N N 3.233 122.082 118.700 0.249 0.000 2.692 239 N HA -0.124 4.616 4.740 -0.000 0.000 0.293 239 N C -1.311 174.294 175.510 0.158 0.000 1.484 239 N CA 0.655 53.812 53.050 0.178 0.000 1.129 239 N CB 0.453 38.999 38.487 0.098 0.000 1.004 239 N HN 0.407 nan 8.380 nan 0.000 0.509 240 P HA -0.181 nan 4.420 nan 0.000 0.226 240 P C 0.532 177.655 177.300 -0.294 0.000 1.146 240 P CA 0.994 63.780 63.100 -0.523 0.000 0.773 240 P CB 0.326 31.698 31.700 -0.547 0.000 0.772 241 E N 0.264 120.404 120.200 -0.099 0.000 2.008 241 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 241 E C 0.856 177.467 176.600 0.018 0.000 0.986 241 E CA 0.463 56.837 56.400 -0.044 0.000 0.807 241 E CB -0.564 29.131 29.700 -0.009 0.000 0.766 241 E HN 0.094 nan 8.360 nan 0.000 0.450 242 I N 1.497 122.116 120.570 0.082 0.000 7.533 242 I HA -0.267 3.903 4.170 -0.000 0.000 0.126 242 I C -0.576 175.597 176.117 0.094 0.000 1.830 242 I CA 0.643 62.020 61.300 0.129 0.000 2.068 242 I CB -1.541 36.582 38.000 0.205 0.000 3.648 242 I HN 0.119 nan 8.210 nan 0.000 0.179 243 Q N 4.458 124.302 119.800 0.074 0.000 2.331 243 Q HA 0.437 4.777 4.340 -0.000 0.000 0.257 243 Q C 0.239 176.275 176.000 0.060 0.000 0.957 243 Q CA -0.743 55.095 55.803 0.058 0.000 0.923 243 Q CB 1.675 30.438 28.738 0.042 0.000 1.212 243 Q HN 0.288 nan 8.270 nan 0.000 0.443 244 E N 1.816 122.052 120.200 0.060 0.000 2.283 244 E HA 0.181 4.531 4.350 -0.000 0.000 0.271 244 E C -0.707 175.916 176.600 0.038 0.000 1.031 244 E CA -0.381 56.051 56.400 0.055 0.000 0.868 244 E CB 1.012 30.747 29.700 0.060 0.000 1.094 244 E HN 0.429 nan 8.360 nan 0.000 0.401 245 D N 0.087 120.507 120.400 0.034 0.000 2.277 245 D HA 0.309 4.949 4.640 -0.000 0.000 0.249 245 D C 0.949 177.258 176.300 0.015 0.000 1.134 245 D CA 0.245 54.258 54.000 0.023 0.000 0.863 245 D CB 1.275 42.089 40.800 0.024 0.000 1.143 245 D HN 0.658 nan 8.370 nan 0.000 0.458 246 G N 1.403 110.205 108.800 0.003 0.000 2.141 246 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.242 246 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.242 246 G C 0.051 174.935 174.900 -0.026 0.000 0.982 246 G CA -0.153 44.939 45.100 -0.013 0.000 0.662 246 G HN 0.481 nan 8.290 nan 0.000 0.527 247 V N 2.688 122.594 119.914 -0.014 0.000 2.380 247 V HA 0.386 4.506 4.120 -0.000 0.000 0.272 247 V C 0.098 176.185 176.094 -0.011 0.000 1.011 247 V CA -1.005 61.283 62.300 -0.020 0.000 0.826 247 V CB 1.263 33.091 31.823 0.010 0.000 1.040 247 V HN 0.285 nan 8.190 nan 0.000 0.441 248 I N 2.703 123.253 120.570 -0.034 0.000 2.337 248 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 248 I C 0.865 176.981 176.117 -0.002 0.000 1.046 248 I CA 0.405 61.695 61.300 -0.017 0.000 1.324 248 I CB 1.208 39.187 38.000 -0.034 0.000 1.409 248 I HN 0.397 nan 8.210 nan 0.000 0.494 249 S N 6.966 122.682 115.700 0.027 0.000 2.405 249 S HA 0.267 4.737 4.470 -0.000 0.000 0.291 249 S C -0.002 174.633 174.600 0.059 0.000 1.137 249 S CA -0.395 57.839 58.200 0.057 0.000 1.061 249 S CB -0.052 63.192 63.200 0.074 0.000 1.001 249 S HN 0.488 nan 8.310 nan 0.000 0.507 250 E N 2.083 122.326 120.200 0.073 0.000 2.263 250 E HA 0.271 4.621 4.350 -0.000 0.000 0.268 250 E C -0.833 175.828 176.600 0.102 0.000 0.884 250 E CA -0.731 55.717 56.400 0.079 0.000 0.766 250 E CB 1.706 31.456 29.700 0.083 0.000 1.196 250 E HN 0.302 nan 8.360 nan 0.000 0.416 251 T N 1.225 115.832 114.554 0.088 0.000 2.899 251 T HA 0.576 4.926 4.350 -0.000 0.000 0.295 251 T C 0.185 174.927 174.700 0.070 0.000 1.033 251 T CA -0.414 61.741 62.100 0.092 0.000 1.084 251 T CB 0.991 69.899 68.868 0.068 0.000 0.979 251 T HN 0.641 nan 8.240 nan 0.000 0.532 252 G N 2.146 110.981 108.800 0.059 0.000 2.193 252 G HA2 0.424 4.384 3.960 -0.000 0.000 0.305 252 G HA3 0.424 4.384 3.960 -0.000 0.000 0.305 252 G C -1.229 173.675 174.900 0.006 0.000 1.427 252 G CA -1.030 44.084 45.100 0.023 0.000 1.137 252 G HN 0.675 nan 8.290 nan 0.000 0.576 253 N N -0.456 118.262 118.700 0.031 0.000 3.946 253 N HA -0.232 4.508 4.740 -0.000 0.000 0.315 253 N C -0.399 175.165 175.510 0.091 0.000 2.128 253 N CA 0.486 53.567 53.050 0.052 0.000 3.156 253 N CB -0.201 38.295 38.487 0.015 0.000 0.256 253 N HN 0.780 nan 8.380 nan 0.000 0.892 254 Y N 2.355 122.646 120.300 -0.014 0.000 2.730 254 Y HA 0.292 4.842 4.550 -0.000 0.000 0.354 254 Y C 0.685 176.577 175.900 -0.014 0.000 1.139 254 Y CA -0.305 57.791 58.100 -0.007 0.000 1.516 254 Y CB -0.109 38.352 38.460 0.002 0.000 1.204 254 Y HN 0.356 nan 8.280 nan 0.000 0.520 255 V N 2.651 122.422 119.914 -0.239 0.000 3.204 255 V HA 0.555 4.675 4.120 -0.000 0.000 0.316 255 V C -0.284 175.605 176.094 -0.342 0.000 1.160 255 V CA -1.385 60.764 62.300 -0.252 0.000 1.044 255 V CB 1.703 33.434 31.823 -0.153 0.000 1.136 255 V HN 0.615 nan 8.190 nan 0.000 0.455 256 E N 0.801 120.868 120.200 -0.223 0.000 2.343 256 E HA 0.598 4.948 4.350 -0.000 0.000 0.269 256 E C 0.139 176.641 176.600 -0.163 0.000 1.047 256 E CA -0.264 56.018 56.400 -0.196 0.000 0.874 256 E CB 1.557 31.194 29.700 -0.106 0.000 1.033 256 E HN 1.154 nan 8.360 nan 0.000 0.409 257 A N 2.909 125.613 122.820 -0.193 0.000 2.327 257 A HA 0.478 4.798 4.320 -0.000 0.000 0.255 257 A C 0.600 178.063 177.584 -0.201 0.000 1.099 257 A CA 0.142 52.079 52.037 -0.167 0.000 0.801 257 A CB 0.354 19.256 19.000 -0.164 0.000 1.062 257 A HN 0.737 nan 8.150 nan 0.000 0.496 258 G N -1.893 106.837 108.800 -0.116 0.000 2.636 258 G HA2 0.339 4.299 3.960 -0.000 0.000 0.246 258 G HA3 0.339 4.299 3.960 -0.000 0.000 0.246 258 G C -0.104 174.711 174.900 -0.143 0.000 1.216 258 G CA 0.047 45.124 45.100 -0.038 0.000 0.854 258 G HN 0.669 nan 8.290 nan 0.000 0.572 259 Y N -0.776 119.483 120.300 -0.068 0.000 2.462 259 Y HA 0.194 4.744 4.550 -0.000 0.000 0.253 259 Y C 1.683 177.573 175.900 -0.017 0.000 1.095 259 Y CA 0.540 58.597 58.100 -0.071 0.000 1.283 259 Y CB 0.800 39.213 38.460 -0.079 0.000 1.138 259 Y HN 0.548 nan 8.280 nan 0.000 0.522 260 T N -0.263 114.380 114.554 0.149 0.000 2.824 260 T HA 0.558 4.908 4.350 -0.000 0.000 0.282 260 T C -0.484 174.300 174.700 0.140 0.000 0.993 260 T CA -0.918 61.271 62.100 0.149 0.000 0.967 260 T CB 1.379 70.347 68.868 0.167 0.000 0.960 260 T HN 0.089 nan 8.240 nan 0.000 0.441 261 M N 1.892 121.590 119.600 0.162 0.000 2.129 261 M HA 0.500 4.980 4.480 -0.000 0.000 0.348 261 M C 0.340 176.784 176.300 0.239 0.000 1.116 261 M CA -0.864 54.536 55.300 0.166 0.000 1.022 261 M CB 1.394 34.075 32.600 0.135 0.000 1.599 261 M HN 0.620 nan 8.290 nan 0.000 0.449 262 S N 1.798 117.669 115.700 0.285 0.000 2.552 262 S HA 0.019 4.489 4.470 -0.000 0.000 0.289 262 S C 1.334 176.063 174.600 0.216 0.000 1.304 262 S CA 0.197 58.636 58.200 0.398 0.000 1.063 262 S CB 0.613 64.042 63.200 0.382 0.000 0.848 262 S HN 0.902 nan 8.310 nan 0.000 0.499 263 S N 3.713 119.482 115.700 0.116 0.000 2.447 263 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 263 S C 0.973 175.600 174.600 0.045 0.000 1.006 263 S CA 1.275 59.501 58.200 0.044 0.000 0.957 263 S CB -0.638 62.537 63.200 -0.042 0.000 0.773 263 S HN 0.867 nan 8.310 nan 0.000 0.507 264 N N 1.093 119.835 118.700 0.071 0.000 2.270 264 N HA 0.216 4.956 4.740 -0.000 0.000 0.198 264 N C -0.623 174.950 175.510 0.105 0.000 1.117 264 N CA -0.204 52.887 53.050 0.068 0.000 0.845 264 N CB 0.130 38.656 38.487 0.064 0.000 0.980 264 N HN 0.507 nan 8.380 nan 0.000 0.486 265 N N 0.462 119.242 118.700 0.134 0.000 2.456 265 N HA 0.235 4.975 4.740 -0.000 0.000 0.288 265 N C -1.221 174.423 175.510 0.224 0.000 1.059 265 N CA -0.165 52.977 53.050 0.155 0.000 0.946 265 N CB 1.128 39.702 38.487 0.146 0.000 1.150 265 N HN 0.162 nan 8.380 nan 0.000 0.479 266 H N 0.512 119.603 119.070 0.035 0.000 3.046 266 H HA 0.154 4.710 4.556 -0.000 0.000 0.361 266 H C -1.813 173.493 175.328 -0.038 0.000 1.235 266 H CA -0.868 55.185 56.048 0.008 0.000 1.146 266 H CB 1.985 31.748 29.762 0.002 0.000 1.859 266 H HN 0.710 nan 8.280 nan 0.000 0.548 267 D N 2.163 122.379 120.400 -0.306 0.000 2.787 267 D HA 0.433 5.073 4.640 -0.000 0.000 0.246 267 D C -0.468 175.578 176.300 -0.422 0.000 1.150 267 D CA -0.692 53.090 54.000 -0.362 0.000 0.864 267 D CB 2.172 42.810 40.800 -0.269 0.000 1.481 267 D HN 0.387 nan 8.370 nan 0.000 0.509 268 V N -2.036 117.651 119.914 -0.378 0.000 3.182 268 V HA 0.658 4.778 4.120 -0.000 0.000 0.308 268 V C -0.780 175.225 176.094 -0.147 0.000 1.240 268 V CA -1.134 61.040 62.300 -0.211 0.000 1.063 268 V CB 2.044 33.796 31.823 -0.119 0.000 1.076 268 V HN 0.601 nan 8.190 nan 0.000 0.446 269 I N 1.585 122.132 120.570 -0.038 0.000 2.354 269 I HA 0.418 4.588 4.170 -0.000 0.000 0.286 269 I C -0.577 175.505 176.117 -0.059 0.000 1.007 269 I CA -0.846 60.462 61.300 0.014 0.000 1.167 269 I CB 1.832 39.878 38.000 0.077 0.000 1.320 269 I HN 0.469 nan 8.210 nan 0.000 0.458 270 V N 7.386 127.238 119.914 -0.103 0.000 2.455 270 V HA 0.239 4.359 4.120 -0.000 0.000 0.273 270 V C 0.490 176.412 176.094 -0.286 0.000 1.045 270 V CA -0.376 61.775 62.300 -0.249 0.000 0.976 270 V CB 0.983 32.605 31.823 -0.334 0.000 0.993 270 V HN 0.651 nan 8.190 nan 0.000 0.475 271 R N 4.759 125.077 120.500 -0.302 0.000 2.229 271 R HA 0.457 4.797 4.340 -0.000 0.000 0.332 271 R C -0.837 175.253 176.300 -0.351 0.000 0.989 271 R CA -0.481 55.496 56.100 -0.204 0.000 0.842 271 R CB 0.572 30.809 30.300 -0.105 0.000 1.119 271 R HN 0.496 nan 8.270 nan 0.000 0.456 272 F N 4.805 124.658 119.950 -0.162 0.000 2.368 272 F HA 0.378 4.905 4.527 -0.000 0.000 0.308 272 F C -1.407 174.249 175.800 -0.240 0.000 1.198 272 F CA -1.906 55.918 58.000 -0.293 0.000 1.130 272 F CB 0.286 39.034 39.000 -0.419 0.000 1.300 272 F HN 0.469 nan 8.300 nan 0.000 0.537 273 P HA 0.074 nan 4.420 nan 0.000 0.274 273 P C 0.253 177.555 177.300 0.004 0.000 1.246 273 P CA -0.142 62.948 63.100 -0.016 0.000 0.795 273 P CB 0.464 32.204 31.700 0.068 0.000 1.006 274 E N 0.547 120.757 120.200 0.018 0.000 2.598 274 E HA -0.314 4.036 4.350 -0.000 0.000 0.250 274 E C 0.872 177.481 176.600 0.016 0.000 1.037 274 E CA 2.293 58.704 56.400 0.018 0.000 1.274 274 E CB -1.570 28.147 29.700 0.027 0.000 1.177 274 E HN 0.541 nan 8.360 nan 0.000 0.490 275 G N -0.366 108.449 108.800 0.025 0.000 4.683 275 G HA2 0.276 4.236 3.960 -0.000 0.000 0.273 275 G HA3 0.276 4.236 3.960 -0.000 0.000 0.273 275 G C 0.642 175.557 174.900 0.026 0.000 1.065 275 G CA 0.259 45.371 45.100 0.020 0.000 0.837 275 G HN 0.348 nan 8.290 nan 0.000 0.526 276 S N -0.514 115.195 115.700 0.016 0.000 2.402 276 S HA 0.215 4.685 4.470 -0.000 0.000 0.229 276 S C 2.073 176.657 174.600 -0.026 0.000 1.021 276 S CA 1.248 59.455 58.200 0.011 0.000 0.974 276 S CB -0.217 62.902 63.200 -0.135 0.000 0.800 276 S HN 1.657 nan 8.310 nan 0.000 0.484 277 G N 0.179 108.953 108.800 -0.044 0.000 2.143 277 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.248 277 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.248 277 G C -0.066 174.772 174.900 -0.103 0.000 0.991 277 G CA 0.094 45.162 45.100 -0.053 0.000 0.689 277 G HN 0.883 nan 8.290 nan 0.000 0.522 278 V N 1.870 121.687 119.914 -0.162 0.000 2.357 278 V HA 0.602 4.722 4.120 -0.000 0.000 0.284 278 V C 0.820 176.824 176.094 -0.151 0.000 1.018 278 V CA -0.245 61.870 62.300 -0.309 0.000 0.841 278 V CB 1.463 32.853 31.823 -0.722 0.000 0.991 278 V HN 0.765 nan 8.190 nan 0.000 0.437 279 S N 6.650 122.285 115.700 -0.109 0.000 2.549 279 S HA 0.378 4.848 4.470 -0.000 0.000 0.279 279 S C -2.265 172.406 174.600 0.118 0.000 1.321 279 S CA -1.162 57.042 58.200 0.007 0.000 1.054 279 S CB 0.387 63.581 63.200 -0.009 0.000 0.899 279 S HN 0.642 nan 8.310 nan 0.000 0.497 280 P HA 0.019 nan 4.420 nan 0.000 0.261 280 P C -0.832 176.577 177.300 0.182 0.000 1.165 280 P CA -0.126 63.089 63.100 0.191 0.000 0.759 280 P CB 0.214 31.971 31.700 0.095 0.000 0.772 281 L N 5.231 126.592 121.223 0.231 0.000 2.329 281 L HA 0.441 4.781 4.340 -0.000 0.000 0.279 281 L C -0.788 176.170 176.870 0.148 0.000 1.014 281 L CA -1.139 53.819 54.840 0.197 0.000 0.814 281 L CB 1.286 43.502 42.059 0.261 0.000 1.257 281 L HN 0.271 nan 8.230 nan 0.000 0.424 282 Y N 5.818 126.140 120.300 0.036 0.000 2.320 282 Y HA 0.641 5.191 4.550 -0.000 0.000 0.334 282 Y C -0.844 175.065 175.900 0.015 0.000 1.055 282 Y CA -0.394 57.714 58.100 0.013 0.000 1.143 282 Y CB 1.120 39.589 38.460 0.014 0.000 1.193 282 Y HN 0.638 nan 8.280 nan 0.000 0.477 283 I N 5.215 125.467 120.570 -0.528 0.000 2.619 283 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 283 I C -1.476 174.312 176.117 -0.548 0.000 1.100 283 I CA -0.363 60.698 61.300 -0.399 0.000 1.043 283 I CB 1.793 39.679 38.000 -0.190 0.000 1.239 283 I HN 0.611 nan 8.210 nan 0.000 0.420 284 S N 5.597 121.100 115.700 -0.328 0.000 2.478 284 S HA 0.854 5.324 4.470 -0.000 0.000 0.312 284 S C -0.704 173.858 174.600 -0.063 0.000 1.094 284 S CA -0.371 57.715 58.200 -0.190 0.000 1.081 284 S CB 1.317 64.502 63.200 -0.026 0.000 1.007 284 S HN 0.728 nan 8.310 nan 0.000 0.475 285 A N 5.022 127.825 122.820 -0.028 0.000 2.409 285 A HA 0.677 4.997 4.320 -0.000 0.000 0.300 285 A C -0.776 176.850 177.584 0.069 0.000 1.273 285 A CA -0.504 51.540 52.037 0.012 0.000 0.774 285 A CB 0.693 19.690 19.000 -0.006 0.000 1.144 285 A HN 0.657 nan 8.150 nan 0.000 0.472 286 V N 1.772 121.731 119.914 0.074 0.000 2.612 286 V HA 0.370 4.490 4.120 -0.000 0.000 0.301 286 V C 0.362 176.513 176.094 0.095 0.000 1.046 286 V CA -0.583 61.769 62.300 0.086 0.000 0.946 286 V CB 1.848 33.712 31.823 0.069 0.000 1.003 286 V HN 0.903 nan 8.190 nan 0.000 0.459 287 E N 3.209 123.471 120.200 0.102 0.000 2.081 287 E HA 0.353 4.703 4.350 -0.000 0.000 0.276 287 E C -0.956 175.694 176.600 0.082 0.000 0.950 287 E CA -0.859 55.603 56.400 0.103 0.000 0.776 287 E CB 0.815 30.588 29.700 0.123 0.000 1.094 287 E HN 0.558 nan 8.360 nan 0.000 0.402 288 I N 4.397 125.004 120.570 0.062 0.000 2.671 288 I HA 0.010 4.180 4.170 -0.000 0.000 0.285 288 I C -0.143 176.002 176.117 0.045 0.000 1.148 288 I CA 0.111 61.432 61.300 0.035 0.000 1.386 288 I CB -0.468 37.548 38.000 0.025 0.000 1.406 288 I HN 0.406 nan 8.210 nan 0.000 0.540 289 L N 7.157 128.402 121.223 0.037 0.000 2.371 289 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 289 L C 0.496 177.382 176.870 0.026 0.000 1.124 289 L CA 0.099 54.970 54.840 0.052 0.000 0.816 289 L CB 0.335 42.407 42.059 0.021 0.000 1.129 289 L HN 0.699 nan 8.230 nan 0.000 0.448 290 D N 0.952 121.380 120.400 0.046 0.000 2.348 290 D HA 0.075 4.715 4.640 -0.000 0.000 0.249 290 D C 0.833 177.146 176.300 0.021 0.000 1.110 290 D CA -0.463 53.555 54.000 0.030 0.000 0.967 290 D CB 0.925 41.748 40.800 0.039 0.000 1.139 290 D HN 0.374 nan 8.370 nan 0.000 0.466 291 S N 0.054 115.760 115.700 0.010 0.000 2.413 291 S HA -0.244 4.226 4.470 -0.000 0.000 0.237 291 S C 1.347 175.954 174.600 0.011 0.000 1.044 291 S CA 1.744 59.947 58.200 0.004 0.000 1.024 291 S CB -0.460 62.742 63.200 0.004 0.000 0.829 291 S HN 0.571 nan 8.310 nan 0.000 0.475 292 N N -0.763 117.955 118.700 0.029 0.000 2.356 292 N HA 0.163 4.902 4.740 -0.000 0.000 0.178 292 N C 1.594 177.144 175.510 0.066 0.000 1.075 292 N CA 0.288 53.362 53.050 0.040 0.000 0.889 292 N CB 0.113 38.626 38.487 0.044 0.000 0.999 292 N HN 0.146 nan 8.380 nan 0.000 0.464 293 S N 0.462 116.213 115.700 0.084 0.000 2.414 293 S HA 0.124 4.594 4.470 -0.000 0.000 0.227 293 S C 1.711 176.299 174.600 -0.021 0.000 1.022 293 S CA 0.500 58.790 58.200 0.151 0.000 0.958 293 S CB -0.027 63.305 63.200 0.220 0.000 0.797 293 S HN 0.189 nan 8.310 nan 0.000 0.493 294 L N 0.957 122.145 121.223 -0.059 0.000 1.970 294 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 294 L C 2.704 179.501 176.870 -0.122 0.000 1.071 294 L CA 1.555 56.322 54.840 -0.122 0.000 0.751 294 L CB -0.837 41.179 42.059 -0.071 0.000 0.889 294 L HN 0.262 nan 8.230 nan 0.000 0.432 295 S N -0.778 114.888 115.700 -0.056 0.000 2.374 295 S HA -0.267 4.203 4.470 -0.000 0.000 0.227 295 S C 1.931 176.509 174.600 -0.037 0.000 1.037 295 S CA 1.322 59.499 58.200 -0.037 0.000 1.024 295 S CB -0.329 62.868 63.200 -0.005 0.000 0.861 295 S HN 0.413 nan 8.310 nan 0.000 0.456 296 Q N 0.420 120.219 119.800 -0.001 0.000 2.061 296 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 296 Q C 2.490 178.452 176.000 -0.062 0.000 0.984 296 Q CA 1.341 57.193 55.803 0.081 0.000 0.846 296 Q CB -0.169 28.756 28.738 0.313 0.000 0.902 296 Q HN 0.437 nan 8.270 nan 0.000 0.421 297 R N 0.154 120.399 120.500 -0.426 0.000 2.115 297 R HA -0.148 4.192 4.340 -0.000 0.000 0.226 297 R C 2.132 178.206 176.300 -0.378 0.000 1.100 297 R CA 1.046 56.650 56.100 -0.827 0.000 0.980 297 R CB 0.122 29.719 30.300 -1.171 0.000 0.875 297 R HN 0.072 nan 8.270 nan 0.000 0.445 298 Q N 0.492 120.158 119.800 -0.223 0.000 2.167 298 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 298 Q C 1.317 177.266 176.000 -0.085 0.000 0.970 298 Q CA 1.493 57.220 55.803 -0.126 0.000 0.855 298 Q CB 0.207 28.896 28.738 -0.082 0.000 0.911 298 Q HN 0.262 nan 8.270 nan 0.000 0.438 299 E N -0.554 119.609 120.200 -0.063 0.000 2.158 299 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 299 E C 1.758 178.347 176.600 -0.018 0.000 0.982 299 E CA 0.925 57.309 56.400 -0.028 0.000 0.823 299 E CB -0.411 29.290 29.700 0.002 0.000 0.766 299 E HN 0.405 nan 8.360 nan 0.000 0.468 300 A N 1.715 124.526 122.820 -0.015 0.000 1.933 300 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 300 A C 2.063 179.644 177.584 -0.005 0.000 1.175 300 A CA 1.298 53.357 52.037 0.036 0.000 0.628 300 A CB -0.212 18.841 19.000 0.089 0.000 0.814 300 A HN 0.058 nan 8.150 nan 0.000 0.444 301 E N 0.341 120.506 120.200 -0.059 0.000 2.015 301 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 301 E C 1.852 178.379 176.600 -0.121 0.000 0.991 301 E CA 1.254 57.618 56.400 -0.059 0.000 0.802 301 E CB -0.497 29.170 29.700 -0.056 0.000 0.759 301 E HN 0.557 nan 8.360 nan 0.000 0.447 302 N N 1.244 119.887 118.700 -0.095 0.000 2.094 302 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 302 N C 1.549 176.993 175.510 -0.109 0.000 1.023 302 N CA 1.121 54.111 53.050 -0.100 0.000 0.857 302 N CB -0.582 37.869 38.487 -0.060 0.000 1.013 302 N HN 0.293 nan 8.380 nan 0.000 0.426 303 N N 0.148 118.804 118.700 -0.072 0.000 2.171 303 N HA -0.015 4.725 4.740 -0.000 0.000 0.184 303 N C 1.644 177.109 175.510 -0.075 0.000 1.021 303 N CA 0.859 53.878 53.050 -0.052 0.000 0.854 303 N CB -0.052 38.429 38.487 -0.009 0.000 0.994 303 N HN 0.208 nan 8.380 nan 0.000 0.426 304 A N 1.577 124.339 122.820 -0.097 0.000 1.972 304 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 304 A C 2.075 179.459 177.584 -0.332 0.000 1.169 304 A CA 1.296 53.270 52.037 -0.104 0.000 0.635 304 A CB -0.343 18.646 19.000 -0.017 0.000 0.810 304 A HN 0.199 nan 8.150 nan 0.000 0.446 305 K N -0.157 119.856 120.400 -0.645 0.000 1.984 305 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 305 K C 1.287 177.745 176.600 -0.236 0.000 1.046 305 K CA 1.822 57.594 56.287 -0.860 0.000 0.934 305 K CB -0.208 31.864 32.500 -0.713 0.000 0.717 305 K HN 0.302 nan 8.250 nan 0.000 0.438 306 D N 0.827 121.142 120.400 -0.140 0.000 2.219 306 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 306 D C 1.306 177.599 176.300 -0.012 0.000 0.970 306 D CA 1.011 54.981 54.000 -0.050 0.000 0.851 306 D CB -0.201 40.572 40.800 -0.046 0.000 0.943 306 D HN 0.299 nan 8.370 nan 0.000 0.488 307 D N -0.498 119.902 120.400 0.001 0.000 2.194 307 D HA -0.091 4.549 4.640 -0.000 0.000 0.204 307 D C 1.716 178.064 176.300 0.081 0.000 0.964 307 D CA 0.222 54.242 54.000 0.032 0.000 0.846 307 D CB -0.318 40.505 40.800 0.038 0.000 0.962 307 D HN 0.205 nan 8.370 nan 0.000 0.490 308 F N 2.044 121.979 119.950 -0.025 0.000 2.146 308 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 308 F C 2.282 178.102 175.800 0.033 0.000 1.096 308 F CA 1.009 59.033 58.000 0.040 0.000 1.275 308 F CB -0.001 39.081 39.000 0.138 0.000 1.008 308 F HN -0.238 nan 8.300 nan 0.000 0.480 309 R N 0.767 121.263 120.500 -0.006 0.000 2.091 309 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 309 R C 1.934 178.157 176.300 -0.129 0.000 1.136 309 R CA 2.153 58.197 56.100 -0.094 0.000 0.959 309 R CB -1.300 29.008 30.300 0.013 0.000 0.856 309 R HN 0.309 nan 8.270 nan 0.000 0.437 310 V N 0.810 120.677 119.914 -0.078 0.000 2.379 310 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 310 V C 2.407 178.448 176.094 -0.088 0.000 1.044 310 V CA 2.021 64.282 62.300 -0.066 0.000 1.036 310 V CB -0.495 31.308 31.823 -0.032 0.000 0.664 310 V HN 0.422 nan 8.190 nan 0.000 0.453 311 K N 0.057 120.396 120.400 -0.102 0.000 2.097 311 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 311 K C 2.321 178.827 176.600 -0.155 0.000 1.049 311 K CA 1.465 57.693 56.287 -0.099 0.000 0.933 311 K CB -0.121 32.340 32.500 -0.065 0.000 0.717 311 K HN 0.251 nan 8.250 nan 0.000 0.442 312 K N 0.955 121.184 120.400 -0.286 0.000 2.002 312 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 312 K C 1.862 178.363 176.600 -0.165 0.000 1.048 312 K CA 2.014 58.118 56.287 -0.305 0.000 0.930 312 K CB -0.034 32.172 32.500 -0.491 0.000 0.714 312 K HN 0.285 nan 8.250 nan 0.000 0.438 313 E N 0.489 120.609 120.200 -0.134 0.000 2.077 313 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 313 E C 2.175 178.739 176.600 -0.060 0.000 0.989 313 E CA 0.985 57.334 56.400 -0.084 0.000 0.800 313 E CB -0.084 29.573 29.700 -0.072 0.000 0.746 313 E HN 0.357 nan 8.360 nan 0.000 0.452 314 Q N 1.271 121.037 119.800 -0.056 0.000 2.077 314 Q HA -0.279 4.061 4.340 -0.000 0.000 0.206 314 Q C 1.679 177.669 176.000 -0.018 0.000 0.989 314 Q CA 1.871 57.657 55.803 -0.028 0.000 0.853 314 Q CB 0.002 28.725 28.738 -0.025 0.000 0.907 314 Q HN 0.362 nan 8.270 nan 0.000 0.418 315 E N -0.096 120.084 120.200 -0.032 0.000 2.158 315 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 315 E C 1.783 178.375 176.600 -0.014 0.000 0.982 315 E CA 0.755 57.145 56.400 -0.017 0.000 0.823 315 E CB -0.028 29.657 29.700 -0.025 0.000 0.766 315 E HN 0.347 nan 8.360 nan 0.000 0.468 316 N N 1.466 120.147 118.700 -0.032 0.000 2.083 316 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 316 N C 1.296 176.794 175.510 -0.019 0.000 1.047 316 N CA 1.593 54.627 53.050 -0.027 0.000 0.845 316 N CB -0.140 38.324 38.487 -0.039 0.000 1.025 316 N HN -0.072 nan 8.380 nan 0.000 0.428 317 D N 0.268 120.653 120.400 -0.024 0.000 2.190 317 D HA -0.177 4.463 4.640 -0.000 0.000 0.200 317 D C 1.616 177.919 176.300 0.005 0.000 0.992 317 D CA 0.846 54.834 54.000 -0.020 0.000 0.854 317 D CB -0.270 40.514 40.800 -0.027 0.000 0.936 317 D HN 0.570 nan 8.370 nan 0.000 0.462 318 E N 0.208 120.421 120.200 0.022 0.000 2.072 318 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 318 E C 1.865 178.493 176.600 0.046 0.000 0.985 318 E CA 1.042 57.474 56.400 0.053 0.000 0.801 318 E CB 0.130 29.865 29.700 0.059 0.000 0.750 318 E HN -0.058 nan 8.360 nan 0.000 0.452 319 K N 0.116 120.532 120.400 0.027 0.000 2.097 319 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 319 K C 2.088 178.692 176.600 0.007 0.000 1.049 319 K CA 2.073 58.374 56.287 0.022 0.000 0.933 319 K CB -0.598 31.909 32.500 0.012 0.000 0.717 319 K HN 0.291 nan 8.250 nan 0.000 0.442 320 T N -1.960 112.588 114.554 -0.011 0.000 2.942 320 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 320 T C 1.836 176.502 174.700 -0.057 0.000 1.062 320 T CA 1.094 63.173 62.100 -0.035 0.000 1.139 320 T CB -0.599 68.240 68.868 -0.049 0.000 0.883 320 T HN 0.043 nan 8.240 nan 0.000 0.468 321 V N -0.281 119.602 119.914 -0.052 0.000 2.719 321 V HA 0.233 4.353 4.120 -0.000 0.000 0.252 321 V C 2.526 178.616 176.094 -0.007 0.000 1.065 321 V CA 0.838 63.089 62.300 -0.082 0.000 1.086 321 V CB -1.109 30.689 31.823 -0.041 0.000 0.700 321 V HN 0.438 nan 8.190 nan 0.000 0.467 322 L N 1.653 122.895 121.223 0.031 0.000 2.109 322 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 322 L C 3.034 179.918 176.870 0.023 0.000 1.086 322 L CA 2.014 56.885 54.840 0.050 0.000 0.760 322 L CB -0.870 41.239 42.059 0.083 0.000 0.910 322 L HN 0.619 nan 8.230 nan 0.000 0.437 323 T N -2.711 111.846 114.554 0.006 0.000 2.812 323 T HA -0.199 4.151 4.350 -0.000 0.000 0.264 323 T C 1.915 176.603 174.700 -0.019 0.000 1.042 323 T CA 1.060 63.158 62.100 -0.003 0.000 1.140 323 T CB -0.146 68.718 68.868 -0.008 0.000 0.870 323 T HN -0.043 nan 8.240 nan 0.000 0.445 324 K N 1.341 121.717 120.400 -0.041 0.000 2.097 324 K HA -0.028 4.292 4.320 -0.000 0.000 0.206 324 K C 2.358 178.936 176.600 -0.037 0.000 1.049 324 K CA 1.810 58.065 56.287 -0.055 0.000 0.933 324 K CB -1.154 31.285 32.500 -0.101 0.000 0.717 324 K HN 0.445 nan 8.250 nan 0.000 0.442 325 T N -0.331 114.212 114.554 -0.018 0.000 2.708 325 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 325 T C 1.898 176.593 174.700 -0.007 0.000 1.037 325 T CA 1.614 63.716 62.100 0.004 0.000 1.146 325 T CB -0.589 68.299 68.868 0.034 0.000 0.865 325 T HN 0.352 nan 8.240 nan 0.000 0.435 326 S N 0.641 116.337 115.700 -0.006 0.000 2.365 326 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 326 S C 2.130 176.717 174.600 -0.022 0.000 1.039 326 S CA 2.057 60.249 58.200 -0.013 0.000 1.033 326 S CB -0.380 62.819 63.200 -0.002 0.000 0.887 326 S HN 0.640 nan 8.310 nan 0.000 0.447 327 E N -0.328 119.860 120.200 -0.020 0.000 2.077 327 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 327 E C 2.002 178.588 176.600 -0.024 0.000 0.989 327 E CA 1.498 57.885 56.400 -0.022 0.000 0.800 327 E CB -0.083 29.603 29.700 -0.024 0.000 0.746 327 E HN 0.457 nan 8.360 nan 0.000 0.452 328 V N 1.515 121.415 119.914 -0.024 0.000 2.427 328 V HA -0.230 3.889 4.120 -0.000 0.000 0.248 328 V C 2.341 178.420 176.094 -0.024 0.000 1.051 328 V CA 1.028 63.314 62.300 -0.024 0.000 1.048 328 V CB -0.332 31.479 31.823 -0.020 0.000 0.666 328 V HN 0.380 nan 8.190 nan 0.000 0.456 329 I N -0.385 120.168 120.570 -0.029 0.000 2.493 329 I HA -0.167 4.003 4.170 -0.000 0.000 0.254 329 I C 2.207 178.295 176.117 -0.047 0.000 1.160 329 I CA 1.709 62.983 61.300 -0.044 0.000 1.445 329 I CB -0.821 37.141 38.000 -0.063 0.000 1.086 329 I HN 0.284 nan 8.210 nan 0.000 0.433 330 I N 0.344 120.891 120.570 -0.038 0.000 2.584 330 I HA -0.216 3.954 4.170 -0.000 0.000 0.255 330 I C 2.714 178.824 176.117 -0.010 0.000 1.145 330 I CA 1.039 62.319 61.300 -0.033 0.000 1.462 330 I CB -0.100 37.882 38.000 -0.030 0.000 1.102 330 I HN 0.225 nan 8.210 nan 0.000 0.433 331 S N 0.702 116.397 115.700 -0.008 0.000 2.356 331 S HA -0.159 4.311 4.470 -0.000 0.000 0.223 331 S C 2.085 176.697 174.600 0.020 0.000 1.032 331 S CA 1.404 59.604 58.200 0.001 0.000 1.005 331 S CB -0.833 62.360 63.200 -0.011 0.000 0.867 331 S HN 0.210 nan 8.310 nan 0.000 0.449 332 V N 2.342 122.269 119.914 0.022 0.000 2.324 332 V HA -0.129 3.991 4.120 -0.000 0.000 0.250 332 V C 2.929 179.116 176.094 0.155 0.000 1.060 332 V CA 2.032 64.368 62.300 0.060 0.000 1.042 332 V CB -1.744 30.105 31.823 0.044 0.000 0.650 332 V HN 0.707 nan 8.190 nan 0.000 0.450 333 G N -0.612 108.260 108.800 0.119 0.000 2.446 333 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 333 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 333 G C 1.253 176.258 174.900 0.176 0.000 1.168 333 G CA 1.109 46.300 45.100 0.151 0.000 0.771 333 G HN 0.507 nan 8.290 nan 0.000 0.551 334 D N 0.320 120.773 120.400 0.088 0.000 2.078 334 D HA -0.087 4.553 4.640 -0.000 0.000 0.193 334 D C 2.249 178.597 176.300 0.080 0.000 0.990 334 D CA 1.272 55.314 54.000 0.071 0.000 0.827 334 D CB -0.317 40.505 40.800 0.036 0.000 0.975 334 D HN 0.384 nan 8.370 nan 0.000 0.451 335 K N 0.730 121.169 120.400 0.064 0.000 2.001 335 K HA -0.143 4.177 4.320 -0.000 0.000 0.214 335 K C 2.023 178.657 176.600 0.056 0.000 1.050 335 K CA 1.347 57.662 56.287 0.048 0.000 0.934 335 K CB -0.222 32.292 32.500 0.023 0.000 0.718 335 K HN -0.065 nan 8.250 nan 0.000 0.443 336 V N 0.944 120.890 119.914 0.055 0.000 2.515 336 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 336 V C 2.407 178.480 176.094 -0.035 0.000 1.058 336 V CA 1.957 64.227 62.300 -0.050 0.000 1.064 336 V CB -0.937 30.741 31.823 -0.243 0.000 0.675 336 V HN 0.667 nan 8.190 nan 0.000 0.461 337 G N -0.177 108.700 108.800 0.128 0.000 2.514 337 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 337 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 337 G C 1.163 176.116 174.900 0.088 0.000 1.198 337 G CA 0.496 45.700 45.100 0.173 0.000 0.780 337 G HN 0.497 nan 8.290 nan 0.000 0.565 338 E N -0.244 120.007 120.200 0.086 0.000 2.385 338 E HA 0.040 4.390 4.350 -0.000 0.000 0.201 338 E C 0.452 177.130 176.600 0.130 0.000 1.250 338 E CA 0.168 56.616 56.400 0.079 0.000 1.104 338 E CB 0.018 29.757 29.700 0.065 0.000 1.174 338 E HN 0.684 nan 8.360 nan 0.000 0.461 339 Y N -1.396 118.890 120.300 -0.023 0.000 2.856 339 Y HA 0.157 4.707 4.550 -0.000 0.000 0.252 339 Y C 1.360 177.232 175.900 -0.047 0.000 1.145 339 Y CA 0.018 58.097 58.100 -0.035 0.000 1.204 339 Y CB 0.134 38.564 38.460 -0.050 0.000 1.403 339 Y HN -0.029 nan 8.280 nan 0.000 0.462 340 L N 0.617 121.669 121.223 -0.285 0.000 2.529 340 L HA 0.440 4.780 4.340 -0.000 0.000 0.223 340 L C 0.632 177.415 176.870 -0.146 0.000 1.113 340 L CA 0.753 55.395 54.840 -0.331 0.000 0.861 340 L CB -0.049 41.800 42.059 -0.349 0.000 1.012 340 L HN 0.476 nan 8.230 nan 0.000 0.461 341 G N -0.354 108.412 108.800 -0.057 0.000 2.497 341 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 341 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 341 G C -0.446 174.505 174.900 0.085 0.000 1.288 341 G CA -0.416 44.689 45.100 0.008 0.000 0.899 341 G HN 0.024 nan 8.290 nan 0.000 0.608 342 D N -0.368 120.066 120.400 0.057 0.000 2.323 342 D HA -0.001 4.639 4.640 -0.000 0.000 0.209 342 D C 2.092 178.420 176.300 0.048 0.000 0.973 342 D CA 0.642 54.675 54.000 0.056 0.000 0.874 342 D CB 0.382 41.201 40.800 0.031 0.000 0.930 342 D HN 0.417 nan 8.370 nan 0.000 0.521 343 K N -0.137 120.296 120.400 0.055 0.000 2.217 343 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 343 K C 1.912 178.538 176.600 0.043 0.000 1.051 343 K CA 0.485 56.797 56.287 0.042 0.000 0.952 343 K CB 0.060 32.588 32.500 0.046 0.000 0.736 343 K HN 0.070 nan 8.250 nan 0.000 0.453 344 Y N 1.463 121.753 120.300 -0.017 0.000 2.153 344 Y HA -0.156 4.394 4.550 -0.000 0.000 0.289 344 Y C 1.648 177.533 175.900 -0.025 0.000 1.127 344 Y CA 1.583 59.670 58.100 -0.022 0.000 1.131 344 Y CB 0.100 38.546 38.460 -0.023 0.000 0.995 344 Y HN -0.137 nan 8.280 nan 0.000 0.505 345 K N 0.062 120.485 120.400 0.039 0.000 2.089 345 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 345 K C 2.244 178.771 176.600 -0.122 0.000 1.048 345 K CA 1.432 57.696 56.287 -0.038 0.000 0.926 345 K CB -0.484 32.035 32.500 0.032 0.000 0.714 345 K HN 0.455 nan 8.250 nan 0.000 0.448 346 A N 1.291 124.055 122.820 -0.092 0.000 1.930 346 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 346 A C 2.093 179.603 177.584 -0.123 0.000 1.175 346 A CA 1.041 53.030 52.037 -0.079 0.000 0.627 346 A CB -0.417 18.561 19.000 -0.036 0.000 0.815 346 A HN 0.250 nan 8.150 nan 0.000 0.443 347 L N -0.024 121.082 121.223 -0.195 0.000 1.994 347 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 347 L C 2.488 179.139 176.870 -0.365 0.000 1.071 347 L CA 2.672 57.357 54.840 -0.258 0.000 0.745 347 L CB -0.793 41.081 42.059 -0.308 0.000 0.892 347 L HN 0.270 nan 8.230 nan 0.000 0.431 348 S N -0.208 115.229 115.700 -0.438 0.000 2.387 348 S HA -0.205 4.265 4.470 -0.000 0.000 0.230 348 S C 1.968 176.431 174.600 -0.227 0.000 1.035 348 S CA 1.229 59.221 58.200 -0.346 0.000 1.014 348 S CB -0.418 62.605 63.200 -0.295 0.000 0.836 348 S HN 0.417 nan 8.310 nan 0.000 0.466 349 R N 1.451 121.853 120.500 -0.164 0.000 2.080 349 R HA -0.047 4.293 4.340 -0.000 0.000 0.236 349 R C 2.116 178.355 176.300 -0.101 0.000 1.137 349 R CA 1.146 57.187 56.100 -0.099 0.000 0.943 349 R CB -1.073 29.192 30.300 -0.059 0.000 0.846 349 R HN 0.475 nan 8.270 nan 0.000 0.431 350 E N 0.721 120.850 120.200 -0.119 0.000 2.070 350 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 350 E C 2.228 178.688 176.600 -0.234 0.000 1.004 350 E CA 1.079 57.427 56.400 -0.087 0.000 0.805 350 E CB -0.248 29.446 29.700 -0.010 0.000 0.744 350 E HN 0.366 nan 8.360 nan 0.000 0.451 351 I N 0.829 121.085 120.570 -0.523 0.000 2.202 351 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 351 I C 2.548 178.542 176.117 -0.205 0.000 1.091 351 I CA 0.993 61.960 61.300 -0.556 0.000 1.368 351 I CB -0.432 37.218 38.000 -0.583 0.000 1.058 351 I HN 0.002 nan 8.210 nan 0.000 0.410 352 A N 0.527 123.254 122.820 -0.155 0.000 1.933 352 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 352 A C 2.176 179.750 177.584 -0.018 0.000 1.175 352 A CA 1.685 53.679 52.037 -0.070 0.000 0.628 352 A CB -0.561 18.400 19.000 -0.065 0.000 0.814 352 A HN 0.439 nan 8.150 nan 0.000 0.444 353 E N -0.284 119.911 120.200 -0.008 0.000 2.051 353 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 353 E C 1.910 178.565 176.600 0.092 0.000 0.991 353 E CA 1.426 57.850 56.400 0.040 0.000 0.799 353 E CB -0.230 29.499 29.700 0.047 0.000 0.748 353 E HN 0.655 nan 8.360 nan 0.000 0.449 354 N N 0.313 119.091 118.700 0.131 0.000 2.205 354 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 354 N C 1.663 177.319 175.510 0.243 0.000 1.015 354 N CA 0.933 54.121 53.050 0.230 0.000 0.862 354 N CB 0.018 38.717 38.487 0.353 0.000 0.986 354 N HN 0.145 nan 8.380 nan 0.000 0.429 355 I N -0.110 120.533 120.570 0.122 0.000 2.333 355 I HA -0.153 4.017 4.170 -0.000 0.000 0.246 355 I C 1.909 178.112 176.117 0.143 0.000 1.106 355 I CA 0.671 62.023 61.300 0.085 0.000 1.411 355 I CB -0.250 37.746 38.000 -0.007 0.000 1.082 355 I HN 0.243 nan 8.210 nan 0.000 0.420 356 N N 1.318 120.078 118.700 0.099 0.000 2.520 356 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 356 N C 0.864 176.438 175.510 0.106 0.000 1.068 356 N CA 0.989 54.090 53.050 0.085 0.000 0.911 356 N CB -0.018 38.500 38.487 0.052 0.000 0.961 356 N HN 0.537 nan 8.380 nan 0.000 0.446 357 N N -1.303 117.484 118.700 0.145 0.000 2.181 357 N HA 0.040 4.780 4.740 -0.000 0.000 0.207 357 N C 0.654 176.261 175.510 0.161 0.000 1.182 357 N CA -0.306 52.821 53.050 0.128 0.000 0.893 357 N CB 0.092 38.640 38.487 0.101 0.000 1.032 357 N HN 0.020 nan 8.380 nan 0.000 0.513 358 F N 2.673 122.657 119.950 0.056 0.000 2.481 358 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 358 F C 1.192 177.022 175.800 0.051 0.000 1.095 358 F CA 0.815 58.852 58.000 0.061 0.000 1.465 358 F CB -0.140 38.907 39.000 0.078 0.000 1.098 358 F HN 0.049 nan 8.300 nan 0.000 0.585 359 Q N 0.028 119.913 119.800 0.140 0.000 2.269 359 Q HA 0.227 4.567 4.340 -0.000 0.000 0.300 359 Q C 1.302 177.278 176.000 -0.040 0.000 1.070 359 Q CA 1.013 56.856 55.803 0.067 0.000 0.957 359 Q CB 0.136 28.914 28.738 0.066 0.000 1.131 359 Q HN 0.565 nan 8.270 nan 0.000 0.377 360 G N 3.247 112.019 108.800 -0.048 0.000 2.284 360 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.247 360 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.247 360 G C -0.066 174.726 174.900 -0.180 0.000 1.012 360 G CA 0.357 45.408 45.100 -0.082 0.000 0.618 360 G HN 0.567 nan 8.290 nan 0.000 0.521 361 K N 0.469 120.632 120.400 -0.395 0.000 2.117 361 K HA 0.596 4.916 4.320 -0.000 0.000 0.240 361 K C -0.162 176.110 176.600 -0.547 0.000 1.031 361 K CA 0.139 56.046 56.287 -0.634 0.000 0.909 361 K CB 0.646 32.451 32.500 -1.158 0.000 1.097 361 K HN 0.090 nan 8.250 nan 0.000 0.492 362 T N 1.564 115.900 114.554 -0.364 0.000 2.807 362 T HA 0.351 4.701 4.350 -0.000 0.000 0.279 362 T C 0.261 175.107 174.700 0.242 0.000 0.993 362 T CA -0.797 61.293 62.100 -0.017 0.000 0.970 362 T CB 0.492 69.344 68.868 -0.027 0.000 0.950 362 T HN 0.469 nan 8.240 nan 0.000 0.441 363 I N 0.656 121.462 120.570 0.393 0.000 3.060 363 I HA 0.375 4.545 4.170 -0.000 0.000 0.285 363 I C 0.862 177.118 176.117 0.232 0.000 1.190 363 I CA -0.872 60.676 61.300 0.413 0.000 1.363 363 I CB 0.498 38.627 38.000 0.214 0.000 1.396 363 I HN 0.363 nan 8.210 nan 0.000 0.607 364 R N 2.257 122.893 120.500 0.226 0.000 2.827 364 R HA 0.132 4.472 4.340 -0.000 0.000 0.269 364 R C 0.476 176.730 176.300 -0.075 0.000 1.048 364 R CA 0.021 56.151 56.100 0.049 0.000 1.173 364 R CB 0.452 30.747 30.300 -0.007 0.000 1.070 364 R HN 0.941 nan 8.270 nan 0.000 0.498 365 S N 0.288 115.849 115.700 -0.231 0.000 2.593 365 S HA -0.004 4.466 4.470 -0.000 0.000 0.269 365 S C 1.302 175.648 174.600 -0.424 0.000 1.334 365 S CA -0.525 57.333 58.200 -0.570 0.000 1.015 365 S CB 0.313 63.203 63.200 -0.516 0.000 0.912 365 S HN 0.545 nan 8.310 nan 0.000 0.541 366 Y N 1.032 121.345 120.300 0.022 0.000 2.069 366 Y HA -0.131 4.419 4.550 -0.000 0.000 0.278 366 Y C 1.873 177.739 175.900 -0.057 0.000 1.175 366 Y CA 1.814 59.907 58.100 -0.012 0.000 1.134 366 Y CB -1.682 36.776 38.460 -0.003 0.000 0.965 366 Y HN 0.567 nan 8.280 nan 0.000 0.498 367 D N -0.254 120.283 120.400 0.230 0.000 2.219 367 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 367 D C 1.480 177.780 176.300 -0.000 0.000 0.970 367 D CA 1.452 55.518 54.000 0.111 0.000 0.851 367 D CB -0.284 40.600 40.800 0.140 0.000 0.943 367 D HN 0.371 nan 8.370 nan 0.000 0.488 368 D N -0.059 120.306 120.400 -0.058 0.000 2.137 368 D HA 0.019 4.659 4.640 -0.000 0.000 0.202 368 D C 2.055 178.272 176.300 -0.139 0.000 0.970 368 D CA 1.098 55.043 54.000 -0.091 0.000 0.837 368 D CB -0.365 40.373 40.800 -0.103 0.000 0.981 368 D HN 0.135 nan 8.370 nan 0.000 0.475 369 A N 0.831 123.519 122.820 -0.219 0.000 1.877 369 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 369 A C 2.059 179.484 177.584 -0.266 0.000 1.186 369 A CA 1.223 53.042 52.037 -0.362 0.000 0.620 369 A CB -0.422 18.126 19.000 -0.754 0.000 0.822 369 A HN 0.089 nan 8.150 nan 0.000 0.443 370 M N 0.981 120.478 119.600 -0.173 0.000 2.460 370 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 370 M C 2.253 178.513 176.300 -0.066 0.000 1.071 370 M CA 1.658 56.902 55.300 -0.094 0.000 1.096 370 M CB -1.177 31.404 32.600 -0.033 0.000 1.408 370 M HN 0.688 nan 8.290 nan 0.000 0.463 371 S N -1.281 114.377 115.700 -0.069 0.000 2.414 371 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 371 S C 2.082 176.642 174.600 -0.067 0.000 1.022 371 S CA 1.092 59.261 58.200 -0.051 0.000 0.958 371 S CB -0.245 62.930 63.200 -0.043 0.000 0.797 371 S HN 0.320 nan 8.310 nan 0.000 0.493 372 S N 2.496 118.136 115.700 -0.099 0.000 2.345 372 S HA 0.037 4.507 4.470 -0.000 0.000 0.220 372 S C 1.915 176.451 174.600 -0.108 0.000 1.031 372 S CA 1.384 59.521 58.200 -0.105 0.000 0.996 372 S CB -0.551 62.573 63.200 -0.127 0.000 0.882 372 S HN 0.780 nan 8.310 nan 0.000 0.445 373 I N 0.833 121.323 120.570 -0.133 0.000 2.614 373 I HA -0.020 4.150 4.170 -0.000 0.000 0.258 373 I C 1.374 177.445 176.117 -0.077 0.000 1.189 373 I CA 1.463 62.679 61.300 -0.140 0.000 1.462 373 I CB -0.642 37.239 38.000 -0.199 0.000 1.092 373 I HN 0.132 nan 8.210 nan 0.000 0.442 374 N N 1.275 119.952 118.700 -0.039 0.000 2.309 374 N HA -0.172 4.568 4.740 -0.000 0.000 0.182 374 N C 1.857 177.360 175.510 -0.011 0.000 1.018 374 N CA 0.883 53.933 53.050 -0.001 0.000 0.876 374 N CB -0.145 38.344 38.487 0.003 0.000 0.972 374 N HN 0.479 nan 8.380 nan 0.000 0.434 375 K N 0.928 121.305 120.400 -0.038 0.000 2.103 375 K HA -0.091 4.228 4.320 -0.000 0.000 0.204 375 K C 1.967 178.533 176.600 -0.056 0.000 1.052 375 K CA 0.660 56.919 56.287 -0.047 0.000 0.945 375 K CB 0.022 32.484 32.500 -0.064 0.000 0.722 375 K HN 0.069 nan 8.250 nan 0.000 0.443 376 L N 0.833 122.014 121.223 -0.070 0.000 2.023 376 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 376 L C 2.028 178.870 176.870 -0.046 0.000 1.073 376 L CA 1.609 56.401 54.840 -0.080 0.000 0.745 376 L CB -0.410 41.579 42.059 -0.117 0.000 0.900 376 L HN 0.142 nan 8.230 nan 0.000 0.435 377 M N -0.224 119.361 119.600 -0.025 0.000 2.686 377 M HA 0.084 4.564 4.480 -0.000 0.000 0.246 377 M C 1.857 178.196 176.300 0.065 0.000 1.096 377 M CA 1.099 56.427 55.300 0.046 0.000 1.076 377 M CB -0.760 31.902 32.600 0.103 0.000 1.504 377 M HN 0.411 nan 8.290 nan 0.000 0.524 378 A N -0.866 121.973 122.820 0.032 0.000 2.030 378 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 378 A C 1.145 178.749 177.584 0.034 0.000 1.164 378 A CA 0.072 52.129 52.037 0.033 0.000 0.697 378 A CB -0.713 18.297 19.000 0.016 0.000 0.827 378 A HN 0.570 nan 8.150 nan 0.000 0.457 379 N N 1.468 120.181 118.700 0.022 0.000 2.417 379 N HA 0.029 4.769 4.740 -0.000 0.000 0.272 379 N C -1.441 174.103 175.510 0.056 0.000 1.304 379 N CA -0.823 52.243 53.050 0.027 0.000 0.906 379 N CB 0.955 39.447 38.487 0.007 0.000 1.135 379 N HN 0.164 nan 8.380 nan 0.000 0.483 380 P HA -0.113 nan 4.420 nan 0.000 0.226 380 P C 0.500 177.846 177.300 0.076 0.000 1.153 380 P CA 0.889 64.029 63.100 0.066 0.000 0.777 380 P CB 0.132 31.863 31.700 0.052 0.000 0.794 381 S N -1.107 114.636 115.700 0.073 0.000 2.710 381 S HA 0.123 4.593 4.470 -0.000 0.000 0.224 381 S C 0.741 175.408 174.600 0.113 0.000 0.948 381 S CA -0.437 57.812 58.200 0.081 0.000 0.949 381 S CB -0.725 62.513 63.200 0.063 0.000 0.778 381 S HN 0.080 nan 8.310 nan 0.000 0.498 382 L N 2.031 123.337 121.223 0.138 0.000 2.504 382 L HA 0.550 4.890 4.340 -0.000 0.000 0.249 382 L C -0.904 176.183 176.870 0.361 0.000 1.120 382 L CA 0.002 54.970 54.840 0.214 0.000 0.997 382 L CB 0.315 42.436 42.059 0.104 0.000 1.349 382 L HN 0.249 nan 8.230 nan 0.000 0.439 383 K N 3.550 124.160 120.400 0.351 0.000 2.435 383 K HA 0.624 4.944 4.320 -0.000 0.000 0.251 383 K C -0.942 175.666 176.600 0.014 0.000 0.954 383 K CA -0.802 55.615 56.287 0.217 0.000 0.820 383 K CB 3.037 35.605 32.500 0.114 0.000 1.292 383 K HN 0.261 nan 8.250 nan 0.000 0.436 384 I N -0.324 120.108 120.570 -0.230 0.000 2.569 384 I HA 0.358 4.528 4.170 -0.000 0.000 0.296 384 I C -0.594 175.419 176.117 -0.174 0.000 1.028 384 I CA -1.064 60.007 61.300 -0.381 0.000 1.082 384 I CB 1.020 38.618 38.000 -0.669 0.000 1.264 384 I HN 0.667 nan 8.210 nan 0.000 0.429 385 N N 3.156 121.779 118.700 -0.129 0.000 2.515 385 N HA 0.512 5.252 4.740 -0.000 0.000 0.279 385 N C 1.013 176.473 175.510 -0.082 0.000 1.164 385 N CA -0.321 52.683 53.050 -0.078 0.000 0.982 385 N CB 1.682 40.138 38.487 -0.051 0.000 1.170 385 N HN 0.733 nan 8.380 nan 0.000 0.474 386 A N 1.327 124.114 122.820 -0.055 0.000 2.104 386 A HA -0.227 4.093 4.320 -0.000 0.000 0.223 386 A C 1.800 179.353 177.584 -0.051 0.000 1.164 386 A CA 2.021 54.031 52.037 -0.046 0.000 0.659 386 A CB -1.219 17.763 19.000 -0.030 0.000 0.808 386 A HN 0.846 nan 8.150 nan 0.000 0.465 387 T N -0.624 113.896 114.554 -0.056 0.000 2.939 387 T HA -0.039 4.311 4.350 -0.000 0.000 0.254 387 T C 1.392 176.046 174.700 -0.076 0.000 1.041 387 T CA 1.085 63.151 62.100 -0.057 0.000 1.142 387 T CB -0.272 68.568 68.868 -0.048 0.000 0.874 387 T HN 0.453 nan 8.240 nan 0.000 0.452 388 D N 1.240 121.584 120.400 -0.094 0.000 2.149 388 D HA -0.016 4.624 4.640 -0.000 0.000 0.201 388 D C 2.041 178.253 176.300 -0.147 0.000 0.972 388 D CA 0.874 54.802 54.000 -0.121 0.000 0.835 388 D CB -0.173 40.542 40.800 -0.143 0.000 0.966 388 D HN 0.316 nan 8.370 nan 0.000 0.476 389 K N 0.689 121.004 120.400 -0.142 0.000 2.032 389 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 389 K C 1.948 178.496 176.600 -0.087 0.000 1.048 389 K CA 1.372 57.591 56.287 -0.113 0.000 0.927 389 K CB 0.053 32.517 32.500 -0.060 0.000 0.712 389 K HN -0.142 nan 8.250 nan 0.000 0.441 390 E N 0.299 120.457 120.200 -0.069 0.000 2.160 390 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 390 E C 1.542 178.092 176.600 -0.084 0.000 0.991 390 E CA 1.523 57.889 56.400 -0.057 0.000 0.810 390 E CB -0.184 29.487 29.700 -0.048 0.000 0.742 390 E HN 0.422 nan 8.360 nan 0.000 0.466 391 A N 0.094 122.847 122.820 -0.112 0.000 1.930 391 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 391 A C 2.209 179.665 177.584 -0.214 0.000 1.175 391 A CA 1.348 53.298 52.037 -0.145 0.000 0.627 391 A CB -0.533 18.387 19.000 -0.134 0.000 0.815 391 A HN 0.348 nan 8.150 nan 0.000 0.443 392 I N -0.778 119.655 120.570 -0.228 0.000 2.286 392 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 392 I C 2.263 178.283 176.117 -0.162 0.000 1.104 392 I CA 0.720 61.832 61.300 -0.313 0.000 1.397 392 I CB -0.562 37.138 38.000 -0.500 0.000 1.072 392 I HN 0.100 nan 8.210 nan 0.000 0.417 393 V N 1.681 121.563 119.914 -0.053 0.000 2.233 393 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 393 V C 2.053 178.176 176.094 0.048 0.000 1.050 393 V CA 2.608 64.964 62.300 0.093 0.000 1.010 393 V CB -1.043 30.818 31.823 0.063 0.000 0.637 393 V HN 0.464 nan 8.190 nan 0.000 0.444 394 N N 0.010 118.683 118.700 -0.044 0.000 2.272 394 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 394 N C 1.774 177.200 175.510 -0.140 0.000 1.014 394 N CA 1.105 54.117 53.050 -0.063 0.000 0.870 394 N CB -0.270 38.171 38.487 -0.077 0.000 0.975 394 N HN 0.524 nan 8.380 nan 0.000 0.433 395 A N -0.058 122.557 122.820 -0.342 0.000 1.929 395 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 395 A C 1.679 178.899 177.584 -0.607 0.000 1.176 395 A CA 0.768 52.371 52.037 -0.722 0.000 0.628 395 A CB -0.779 17.321 19.000 -1.499 0.000 0.816 395 A HN 0.434 nan 8.150 nan 0.000 0.444 396 W N 0.332 121.460 121.300 -0.286 0.000 2.418 396 W HA -0.033 4.627 4.660 -0.000 0.000 0.292 396 W C 2.177 178.765 176.519 0.116 0.000 1.213 396 W CA 1.153 58.521 57.345 0.039 0.000 1.283 396 W CB 0.093 29.604 29.460 0.086 0.000 1.119 396 W HN 0.205 nan 8.180 nan 0.000 0.542 397 K N -0.187 120.371 120.400 0.264 0.000 2.281 397 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 397 K C 1.887 178.593 176.600 0.176 0.000 1.046 397 K CA 1.263 57.665 56.287 0.193 0.000 0.938 397 K CB -0.284 32.279 32.500 0.105 0.000 0.737 397 K HN 0.124 nan 8.250 nan 0.000 0.458 398 A N 0.698 123.607 122.820 0.149 0.000 2.267 398 A HA 0.087 4.407 4.320 -0.000 0.000 0.213 398 A C 0.434 178.132 177.584 0.190 0.000 1.192 398 A CA -0.526 51.582 52.037 0.119 0.000 0.851 398 A CB -0.154 18.869 19.000 0.039 0.000 0.881 398 A HN 0.257 nan 8.150 nan 0.000 0.494 399 F N 1.756 121.794 119.950 0.147 0.000 2.629 399 F HA 0.026 4.552 4.527 -0.000 0.000 0.377 399 F C 0.584 176.487 175.800 0.172 0.000 1.101 399 F CA 0.201 58.325 58.000 0.206 0.000 1.301 399 F CB 0.147 39.378 39.000 0.386 0.000 1.062 399 F HN 0.289 nan 8.300 nan 0.000 0.583 400 N N 5.092 123.501 118.700 -0.485 0.000 2.602 400 N HA 0.360 5.100 4.740 -0.000 0.000 0.238 400 N C 0.699 175.873 175.510 -0.560 0.000 1.084 400 N CA 0.154 52.995 53.050 -0.347 0.000 0.952 400 N CB 0.794 39.123 38.487 -0.263 0.000 1.244 400 N HN 0.834 nan 8.380 nan 0.000 0.512 401 A N 3.271 126.026 122.820 -0.109 0.000 1.933 401 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 401 A C 1.961 179.580 177.584 0.059 0.000 1.175 401 A CA 1.125 53.268 52.037 0.178 0.000 0.628 401 A CB -0.208 18.998 19.000 0.344 0.000 0.814 401 A HN 0.702 nan 8.150 nan 0.000 0.444 402 E N -0.349 119.859 120.200 0.015 0.000 2.153 402 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 402 E C 1.396 177.977 176.600 -0.032 0.000 0.988 402 E CA 1.573 57.982 56.400 0.014 0.000 0.811 402 E CB -0.246 29.461 29.700 0.011 0.000 0.746 402 E HN 0.718 nan 8.360 nan 0.000 0.466 403 D N -0.293 120.048 120.400 -0.098 0.000 2.249 403 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 403 D C 1.794 178.019 176.300 -0.125 0.000 0.962 403 D CA 0.307 54.235 54.000 -0.121 0.000 0.860 403 D CB 0.107 40.823 40.800 -0.140 0.000 0.955 403 D HN -0.049 nan 8.370 nan 0.000 0.505 404 M N -0.224 119.313 119.600 -0.106 0.000 2.279 404 M HA 0.088 4.568 4.480 -0.000 0.000 0.264 404 M C 1.781 178.137 176.300 0.094 0.000 1.062 404 M CA 1.376 56.695 55.300 0.032 0.000 1.099 404 M CB -0.665 32.055 32.600 0.200 0.000 1.394 404 M HN 0.043 nan 8.290 nan 0.000 0.426 405 G N -0.161 108.674 108.800 0.058 0.000 2.434 405 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.214 405 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.214 405 G C 1.320 176.130 174.900 -0.151 0.000 1.202 405 G CA 0.893 46.045 45.100 0.087 0.000 0.788 405 G HN 0.618 nan 8.290 nan 0.000 0.539 406 N N 0.517 119.073 118.700 -0.239 0.000 2.430 406 N HA -0.054 4.686 4.740 -0.000 0.000 0.186 406 N C 0.225 175.166 175.510 -0.950 0.000 1.032 406 N CA 0.374 53.124 53.050 -0.500 0.000 0.893 406 N CB 0.049 38.404 38.487 -0.221 0.000 0.957 406 N HN 0.041 nan 8.380 nan 0.000 0.442 407 K N 1.137 121.137 120.400 -0.667 0.000 2.294 407 K HA 0.002 4.322 4.320 -0.000 0.000 0.288 407 K C -0.556 175.574 176.600 -0.783 0.000 1.072 407 K CA 0.368 56.309 56.287 -0.576 0.000 0.960 407 K CB -0.504 31.841 32.500 -0.258 0.000 1.043 407 K HN 0.321 nan 8.250 nan 0.000 0.455 408 F N -1.519 118.350 119.950 -0.134 0.000 3.321 408 F HA 0.217 4.744 4.527 -0.000 0.000 0.360 408 F C 0.672 176.411 175.800 -0.101 0.000 1.243 408 F CA -0.528 57.371 58.000 -0.168 0.000 0.837 408 F CB -0.426 38.490 39.000 -0.139 0.000 1.732 408 F HN 0.335 nan 8.300 nan 0.000 0.482 409 A N 0.399 123.168 122.820 -0.085 0.000 1.878 409 A HA 0.778 5.098 4.320 -0.000 0.000 0.201 409 A C 1.472 179.017 177.584 -0.066 0.000 1.684 409 A CA 0.689 52.707 52.037 -0.031 0.000 1.113 409 A CB -0.402 18.587 19.000 -0.018 0.000 1.131 409 A HN 0.377 nan 8.150 nan 0.000 0.472 410 A N -1.007 121.747 122.820 -0.110 0.000 2.610 410 A HA 0.630 4.950 4.320 -0.000 0.000 0.286 410 A C 0.833 178.361 177.584 -0.094 0.000 1.306 410 A CA 0.180 52.164 52.037 -0.089 0.000 0.942 410 A CB -0.152 18.794 19.000 -0.091 0.000 1.112 410 A HN 0.360 nan 8.150 nan 0.000 0.527 411 L N -3.201 117.960 121.223 -0.103 0.000 2.860 411 L HA 0.498 4.838 4.340 -0.000 0.000 0.251 411 L C 1.368 178.187 176.870 -0.085 0.000 1.041 411 L CA 1.513 56.290 54.840 -0.105 0.000 0.985 411 L CB 0.449 42.417 42.059 -0.152 0.000 1.656 411 L HN 0.470 nan 8.230 nan 0.000 0.526 412 G N -0.662 108.093 108.800 -0.075 0.000 2.010 412 G HA2 0.004 3.964 3.960 -0.000 0.000 0.088 412 G HA3 0.004 3.964 3.960 -0.000 0.000 0.088 412 G C -0.069 174.819 174.900 -0.020 0.000 1.216 412 G CA 0.082 45.153 45.100 -0.049 0.000 1.074 412 G HN -0.120 nan 8.290 nan 0.000 0.300 413 K N 1.008 121.394 120.400 -0.023 0.000 2.972 413 K HA 0.294 4.614 4.320 -0.000 0.000 0.187 413 K C -0.732 175.863 176.600 -0.008 0.000 1.122 413 K CA 0.044 56.341 56.287 0.016 0.000 1.080 413 K CB 0.981 33.475 32.500 -0.010 0.000 0.720 413 K HN 0.293 nan 8.250 nan 0.000 0.429 414 T N 1.420 115.944 114.554 -0.051 0.000 2.848 414 T HA 0.192 4.542 4.350 -0.000 0.000 0.283 414 T C 0.074 174.594 174.700 -0.300 0.000 0.919 414 T CA 0.339 62.274 62.100 -0.274 0.000 1.071 414 T CB -0.175 68.420 68.868 -0.454 0.000 0.912 414 T HN 0.247 nan 8.240 nan 0.000 0.570 415 F N -0.295 119.646 119.950 -0.016 0.000 2.449 415 F HA -0.073 4.454 4.527 -0.000 0.000 0.754 415 F C 0.176 175.717 175.800 -0.431 0.000 0.486 415 F CA -0.078 57.774 58.000 -0.247 0.000 1.008 415 F CB -1.370 37.267 39.000 -0.605 0.000 1.801 415 F HN 0.555 nan 8.300 nan 0.000 0.279 416 K N 0.266 120.274 120.400 -0.654 0.000 2.847 416 K HA 0.554 4.874 4.320 -0.000 0.000 1.023 416 K C -0.640 175.587 176.600 -0.622 0.000 1.074 416 K CA 1.172 57.019 56.287 -0.733 0.000 0.992 416 K CB -0.753 31.586 32.500 -0.268 0.000 3.427 416 K HN 2.335 nan 8.250 nan 0.000 0.138 417 A N 2.398 124.850 122.820 -0.614 0.000 1.935 417 A HA 0.238 4.558 4.320 -0.000 0.000 0.488 417 A C 0.465 178.174 177.584 0.209 0.000 0.501 417 A CA 0.891 52.849 52.037 -0.131 0.000 0.379 417 A CB -1.332 17.666 19.000 -0.002 0.000 2.852 417 A HN 2.042 nan 8.150 nan 0.000 0.390 418 A N 2.493 125.507 122.820 0.324 0.000 3.048 418 A HA 0.469 4.789 4.320 -0.000 0.000 0.264 418 A C 0.736 178.451 177.584 0.218 0.000 1.796 418 A CA 0.786 53.049 52.037 0.376 0.000 1.445 418 A CB -0.428 18.762 19.000 0.316 0.000 1.074 418 A HN 0.721 nan 8.150 nan 0.000 0.621 419 D N -0.924 119.610 120.400 0.223 0.000 2.417 419 D HA 0.108 4.748 4.640 -0.000 0.000 0.207 419 D C 0.743 176.999 176.300 -0.074 0.000 1.075 419 D CA 0.713 54.742 54.000 0.048 0.000 0.851 419 D CB 0.113 40.895 40.800 -0.029 0.000 0.976 419 D HN 0.588 nan 8.370 nan 0.000 0.505 420 Y N 0.678 120.956 120.300 -0.037 0.000 2.420 420 Y HA 0.186 4.736 4.550 -0.000 0.000 0.292 420 Y C 2.302 178.183 175.900 -0.032 0.000 1.119 420 Y CA 0.660 58.686 58.100 -0.124 0.000 1.229 420 Y CB -0.185 38.202 38.460 -0.122 0.000 1.026 420 Y HN -0.065 nan 8.280 nan 0.000 0.554 421 A N 0.306 123.239 122.820 0.188 0.000 1.933 421 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 421 A C 2.169 179.831 177.584 0.131 0.000 1.175 421 A CA 1.607 53.734 52.037 0.150 0.000 0.628 421 A CB -0.948 18.127 19.000 0.125 0.000 0.814 421 A HN 0.478 nan 8.150 nan 0.000 0.444 422 I N -0.559 120.064 120.570 0.088 0.000 2.179 422 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 422 I C 2.449 178.625 176.117 0.098 0.000 1.088 422 I CA 1.612 62.958 61.300 0.076 0.000 1.357 422 I CB -0.290 37.733 38.000 0.037 0.000 1.051 422 I HN 0.304 nan 8.210 nan 0.000 0.409 423 K N 0.939 121.365 120.400 0.043 0.000 2.057 423 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 423 K C 2.278 179.034 176.600 0.261 0.000 1.050 423 K CA 1.388 57.756 56.287 0.135 0.000 0.935 423 K CB -0.252 32.071 32.500 -0.294 0.000 0.715 423 K HN 0.273 nan 8.250 nan 0.000 0.439 424 A N 2.127 125.063 122.820 0.194 0.000 1.933 424 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 424 A C 1.961 179.734 177.584 0.316 0.000 1.175 424 A CA 1.585 53.800 52.037 0.296 0.000 0.628 424 A CB -0.677 18.529 19.000 0.344 0.000 0.814 424 A HN 0.393 nan 8.150 nan 0.000 0.444 425 N N -0.235 118.622 118.700 0.261 0.000 2.270 425 N HA -0.146 4.594 4.740 -0.000 0.000 0.181 425 N C 1.432 177.033 175.510 0.153 0.000 1.016 425 N CA 1.423 54.611 53.050 0.229 0.000 0.870 425 N CB -0.207 38.389 38.487 0.181 0.000 0.979 425 N HN 0.674 nan 8.380 nan 0.000 0.431 426 N N 0.464 119.256 118.700 0.153 0.000 2.171 426 N HA -0.032 4.708 4.740 -0.000 0.000 0.184 426 N C 1.724 177.271 175.510 0.062 0.000 1.021 426 N CA 0.670 53.784 53.050 0.106 0.000 0.854 426 N CB 0.100 38.668 38.487 0.135 0.000 0.994 426 N HN 0.170 nan 8.380 nan 0.000 0.426 427 I N 1.443 122.080 120.570 0.111 0.000 2.264 427 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 427 I C 2.442 178.399 176.117 -0.266 0.000 1.111 427 I CA 1.180 62.489 61.300 0.015 0.000 1.382 427 I CB -1.076 37.000 38.000 0.126 0.000 1.060 427 I HN 0.272 nan 8.210 nan 0.000 0.418 428 R N 1.665 122.019 120.500 -0.243 0.000 2.075 428 R HA -0.184 4.156 4.340 -0.000 0.000 0.230 428 R C 2.081 178.229 176.300 -0.254 0.000 1.140 428 R CA 1.837 57.712 56.100 -0.375 0.000 0.928 428 R CB -0.338 30.011 30.300 0.081 0.000 0.834 428 R HN 0.397 nan 8.270 nan 0.000 0.429 429 E N 0.299 120.458 120.200 -0.069 0.000 2.160 429 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 429 E C 2.040 178.576 176.600 -0.105 0.000 0.991 429 E CA 1.509 57.880 56.400 -0.047 0.000 0.810 429 E CB 0.019 29.718 29.700 -0.002 0.000 0.742 429 E HN 0.383 nan 8.360 nan 0.000 0.466 430 K N -0.095 120.229 120.400 -0.127 0.000 2.365 430 K HA 0.094 4.413 4.320 -0.000 0.000 0.197 430 K C 2.053 178.539 176.600 -0.190 0.000 1.042 430 K CA 0.361 56.567 56.287 -0.134 0.000 0.987 430 K CB 0.351 32.808 32.500 -0.073 0.000 0.779 430 K HN -0.093 nan 8.250 nan 0.000 0.484 431 S N 1.114 116.639 115.700 -0.291 0.000 2.414 431 S HA 0.046 4.516 4.470 -0.000 0.000 0.227 431 S C 1.825 176.292 174.600 -0.223 0.000 1.022 431 S CA 0.552 58.584 58.200 -0.280 0.000 0.958 431 S CB -0.018 62.757 63.200 -0.708 0.000 0.797 431 S HN 0.180 nan 8.310 nan 0.000 0.493 432 I N 1.441 121.900 120.570 -0.186 0.000 2.127 432 I HA -0.140 4.030 4.170 -0.000 0.000 0.241 432 I C 1.468 177.543 176.117 -0.070 0.000 1.075 432 I CA 0.944 62.253 61.300 0.015 0.000 1.334 432 I CB -0.207 37.803 38.000 0.016 0.000 1.040 432 I HN 0.335 nan 8.210 nan 0.000 0.405 433 E N 0.423 120.517 120.200 -0.176 0.000 2.392 433 E HA 0.189 4.539 4.350 -0.000 0.000 0.264 433 E C 0.849 177.112 176.600 -0.561 0.000 1.024 433 E CA 0.825 57.068 56.400 -0.261 0.000 0.903 433 E CB 0.583 30.155 29.700 -0.213 0.000 0.963 433 E HN 0.447 nan 8.360 nan 0.000 0.432 434 G N 3.378 111.753 108.800 -0.709 0.000 2.956 434 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.210 434 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.210 434 G C 0.672 174.972 174.900 -1.000 0.000 1.316 434 G CA 0.257 44.423 45.100 -1.556 0.000 0.819 434 G HN 0.594 nan 8.290 nan 0.000 0.544 435 Y N 1.527 121.583 120.300 -0.406 0.000 2.243 435 Y HA 0.115 4.665 4.550 -0.000 0.000 0.293 435 Y C 3.234 179.103 175.900 -0.051 0.000 1.124 435 Y CA 1.984 60.095 58.100 0.019 0.000 1.159 435 Y CB -0.256 38.305 38.460 0.169 0.000 1.008 435 Y HN 0.311 nan 8.280 nan 0.000 0.527 436 Q N -0.785 119.030 119.800 0.025 0.000 2.083 436 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 436 Q C 2.027 177.992 176.000 -0.058 0.000 0.969 436 Q CA 2.147 57.944 55.803 -0.010 0.000 0.838 436 Q CB -0.407 28.314 28.738 -0.028 0.000 0.900 436 Q HN 0.593 nan 8.270 nan 0.000 0.436 437 T N -4.991 109.477 114.554 -0.143 0.000 2.985 437 T HA 0.335 4.685 4.350 -0.000 0.000 0.254 437 T C 1.226 175.830 174.700 -0.160 0.000 1.021 437 T CA 0.673 62.691 62.100 -0.136 0.000 0.957 437 T CB 0.816 69.596 68.868 -0.146 0.000 1.047 437 T HN 0.373 nan 8.240 nan 0.000 0.511 438 G N 1.944 110.588 108.800 -0.261 0.000 2.143 438 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 438 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 438 G C -0.087 174.643 174.900 -0.283 0.000 0.991 438 G CA 0.047 45.030 45.100 -0.195 0.000 0.689 438 G HN 0.744 nan 8.290 nan 0.000 0.522 439 N N -0.134 118.287 118.700 -0.465 0.000 2.621 439 N HA 0.371 5.111 4.740 -0.000 0.000 0.237 439 N C 0.566 175.791 175.510 -0.476 0.000 0.997 439 N CA -1.011 51.842 53.050 -0.329 0.000 0.918 439 N CB 0.279 38.640 38.487 -0.211 0.000 1.122 439 N HN 0.309 nan 8.380 nan 0.000 0.510 440 W N 1.956 123.217 121.300 -0.065 0.000 3.345 440 W HA 0.298 4.958 4.660 0.000 0.000 0.282 440 W C 1.943 178.423 176.519 -0.066 0.000 1.302 440 W CA -0.427 56.872 57.345 -0.076 0.000 1.724 440 W CB 0.322 29.736 29.460 -0.077 0.000 1.104 440 W HN 0.580 nan 8.180 nan 0.000 0.694 441 G N 2.712 111.547 108.800 0.059 0.000 2.480 441 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.216 441 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.216 441 G C -0.235 174.662 174.900 -0.004 0.000 1.200 441 G CA 1.181 46.294 45.100 0.022 0.000 0.782 441 G HN 0.072 nan 8.290 nan 0.000 0.554 442 P HA -0.123 nan 4.420 nan 0.000 0.217 442 P C 2.041 179.315 177.300 -0.043 0.000 1.148 442 P CA 0.827 63.895 63.100 -0.054 0.000 0.828 442 P CB -0.058 31.596 31.700 -0.077 0.000 0.783 443 L N -1.492 119.740 121.223 0.015 0.000 2.023 443 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 443 L C 2.447 179.320 176.870 0.004 0.000 1.073 443 L CA 1.483 56.364 54.840 0.068 0.000 0.745 443 L CB -0.482 41.741 42.059 0.273 0.000 0.900 443 L HN -0.066 nan 8.230 nan 0.000 0.435 444 M N -0.999 118.633 119.600 0.052 0.000 2.319 444 M HA -0.146 4.334 4.480 -0.000 0.000 0.265 444 M C 2.094 178.407 176.300 0.022 0.000 1.068 444 M CA 1.181 56.521 55.300 0.067 0.000 1.118 444 M CB -1.170 31.449 32.600 0.032 0.000 1.395 444 M HN 0.214 nan 8.290 nan 0.000 0.435 445 L N 0.613 121.815 121.223 -0.035 0.000 2.156 445 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 445 L C 2.326 179.088 176.870 -0.179 0.000 1.095 445 L CA 1.746 56.549 54.840 -0.062 0.000 0.770 445 L CB -0.703 41.325 42.059 -0.053 0.000 0.914 445 L HN 0.225 nan 8.230 nan 0.000 0.439 446 E N -0.949 119.088 120.200 -0.272 0.000 2.150 446 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 446 E C 1.994 178.011 176.600 -0.972 0.000 0.985 446 E CA 1.500 57.626 56.400 -0.458 0.000 0.814 446 E CB -0.160 29.327 29.700 -0.356 0.000 0.752 446 E HN 0.329 nan 8.360 nan 0.000 0.466 447 V N 1.199 120.537 119.914 -0.960 0.000 2.379 447 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 447 V C 2.229 177.925 176.094 -0.663 0.000 1.044 447 V CA 1.894 63.433 62.300 -1.269 0.000 1.036 447 V CB -0.547 30.520 31.823 -1.259 0.000 0.664 447 V HN 0.238 nan 8.190 nan 0.000 0.453 448 E N 0.641 120.647 120.200 -0.324 0.000 2.077 448 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 448 E C 2.477 179.053 176.600 -0.040 0.000 0.989 448 E CA 1.565 57.936 56.400 -0.049 0.000 0.800 448 E CB -0.435 29.386 29.700 0.202 0.000 0.746 448 E HN 0.580 nan 8.360 nan 0.000 0.452 449 S N 0.648 116.270 115.700 -0.129 0.000 2.380 449 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 449 S C 1.587 176.229 174.600 0.069 0.000 1.043 449 S CA 1.270 59.436 58.200 -0.057 0.000 1.038 449 S CB -0.363 62.778 63.200 -0.099 0.000 0.872 449 S HN 0.373 nan 8.310 nan 0.000 0.456 450 W N 1.256 122.518 121.300 -0.063 0.000 2.358 450 W HA -0.016 4.644 4.660 -0.000 0.000 0.303 450 W C 2.319 178.804 176.519 -0.056 0.000 1.208 450 W CA -0.035 57.260 57.345 -0.084 0.000 1.274 450 W CB -1.606 27.783 29.460 -0.119 0.000 1.138 450 W HN 0.142 nan 8.180 nan 0.000 0.515 451 V N 0.637 120.668 119.914 0.195 0.000 2.244 451 V HA -0.292 3.828 4.120 -0.000 0.000 0.244 451 V C 2.220 178.376 176.094 0.103 0.000 1.042 451 V CA 1.755 64.131 62.300 0.127 0.000 1.006 451 V CB -1.149 30.729 31.823 0.092 0.000 0.641 451 V HN -0.005 nan 8.190 nan 0.000 0.446 452 I N 0.478 121.107 120.570 0.099 0.000 2.113 452 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 452 I C 2.213 178.368 176.117 0.063 0.000 1.064 452 I CA 1.910 63.259 61.300 0.082 0.000 1.320 452 I CB -0.401 37.643 38.000 0.074 0.000 1.028 452 I HN 0.228 nan 8.210 nan 0.000 0.406 453 S N 0.182 115.922 115.700 0.067 0.000 2.727 453 S HA 0.144 4.614 4.470 -0.000 0.000 0.226 453 S C 1.227 175.851 174.600 0.041 0.000 0.963 453 S CA 0.809 59.038 58.200 0.049 0.000 0.950 453 S CB -0.032 63.199 63.200 0.052 0.000 0.779 453 S HN 0.771 nan 8.310 nan 0.000 0.532 454 G N 0.997 109.827 108.800 0.050 0.000 2.183 454 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.168 454 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.168 454 G C -0.035 174.889 174.900 0.040 0.000 1.008 454 G CA -0.226 44.898 45.100 0.039 0.000 0.677 454 G HN 0.455 nan 8.290 nan 0.000 0.498 455 M N 1.988 121.622 119.600 0.055 0.000 2.216 455 M HA 0.699 5.179 4.480 -0.000 0.000 0.356 455 M C 0.891 177.241 176.300 0.083 0.000 1.205 455 M CA -0.038 55.295 55.300 0.055 0.000 1.122 455 M CB 0.948 33.574 32.600 0.044 0.000 1.571 455 M HN 0.705 nan 8.290 nan 0.000 0.464 456 A N 4.044 126.914 122.820 0.084 0.000 2.548 456 A HA 0.131 4.451 4.320 -0.000 0.000 0.247 456 A C 1.048 178.717 177.584 0.142 0.000 1.067 456 A CA 0.180 52.277 52.037 0.101 0.000 0.757 456 A CB -0.025 19.034 19.000 0.097 0.000 0.996 456 A HN 1.078 nan 8.150 nan 0.000 0.504 457 S N 2.456 118.255 115.700 0.166 0.000 2.380 457 S HA -0.264 4.206 4.470 -0.000 0.000 0.229 457 S C 2.344 177.135 174.600 0.319 0.000 1.043 457 S CA 1.903 60.249 58.200 0.244 0.000 1.038 457 S CB -0.441 62.967 63.200 0.345 0.000 0.872 457 S HN 1.089 nan 8.310 nan 0.000 0.456 458 A N 1.000 124.053 122.820 0.389 0.000 1.883 458 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 458 A C 2.364 180.078 177.584 0.217 0.000 1.186 458 A CA 1.860 54.128 52.037 0.385 0.000 0.624 458 A CB -0.992 18.220 19.000 0.354 0.000 0.822 458 A HN 0.369 nan 8.150 nan 0.000 0.444 459 V N -0.212 119.821 119.914 0.198 0.000 2.407 459 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 459 V C 2.982 179.191 176.094 0.191 0.000 1.055 459 V CA 1.909 64.335 62.300 0.210 0.000 1.049 459 V CB -1.252 30.686 31.823 0.191 0.000 0.662 459 V HN 0.618 nan 8.190 nan 0.000 0.455 460 A N -0.798 122.122 122.820 0.167 0.000 2.015 460 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 460 A C 2.244 179.951 177.584 0.206 0.000 1.163 460 A CA 1.318 53.491 52.037 0.226 0.000 0.646 460 A CB -0.392 18.764 19.000 0.261 0.000 0.806 460 A HN 0.484 nan 8.150 nan 0.000 0.448 461 L N -0.756 120.515 121.223 0.079 0.000 2.072 461 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 461 L C 2.767 179.725 176.870 0.147 0.000 1.079 461 L CA 1.396 56.236 54.840 -0.000 0.000 0.752 461 L CB -0.254 41.652 42.059 -0.255 0.000 0.906 461 L HN 0.381 nan 8.230 nan 0.000 0.436 462 S N 0.092 115.900 115.700 0.180 0.000 2.344 462 S HA -0.227 4.243 4.470 -0.000 0.000 0.217 462 S C 1.765 176.583 174.600 0.363 0.000 1.033 462 S CA 1.477 59.824 58.200 0.245 0.000 1.017 462 S CB -0.513 62.853 63.200 0.277 0.000 0.941 462 S HN 0.297 nan 8.310 nan 0.000 0.430 463 L N 1.044 122.527 121.223 0.433 0.000 2.064 463 L HA -0.164 4.176 4.340 -0.000 0.000 0.216 463 L C 1.946 179.031 176.870 0.358 0.000 1.077 463 L CA 1.867 56.874 54.840 0.278 0.000 0.766 463 L CB -0.808 41.117 42.059 -0.224 0.000 0.890 463 L HN 0.330 nan 8.230 nan 0.000 0.435 464 F N -0.569 119.551 119.950 0.283 0.000 2.113 464 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 464 F C 2.482 178.389 175.800 0.179 0.000 1.103 464 F CA 1.744 59.902 58.000 0.263 0.000 1.248 464 F CB -0.553 38.543 39.000 0.160 0.000 0.999 464 F HN 0.105 nan 8.300 nan 0.000 0.475 465 S N 0.931 116.730 115.700 0.166 0.000 2.368 465 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 465 S C 2.181 176.793 174.600 0.020 0.000 1.029 465 S CA 1.323 59.535 58.200 0.021 0.000 0.988 465 S CB -0.581 62.669 63.200 0.083 0.000 0.838 465 S HN 0.343 nan 8.310 nan 0.000 0.462 466 L N 1.140 122.434 121.223 0.119 0.000 1.989 466 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 466 L C 2.744 179.698 176.870 0.140 0.000 1.071 466 L CA 1.409 56.330 54.840 0.135 0.000 0.749 466 L CB -1.309 40.893 42.059 0.239 0.000 0.890 466 L HN 0.317 nan 8.230 nan 0.000 0.431 467 T N 0.322 114.991 114.554 0.192 0.000 2.720 467 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 467 T C 1.944 176.718 174.700 0.123 0.000 1.037 467 T CA 1.297 63.531 62.100 0.224 0.000 1.144 467 T CB -0.226 68.783 68.868 0.235 0.000 0.864 467 T HN 0.188 nan 8.240 nan 0.000 0.444 468 L N 0.310 121.518 121.223 -0.026 0.000 2.044 468 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 468 L C 3.043 179.874 176.870 -0.064 0.000 1.075 468 L CA 1.513 56.340 54.840 -0.023 0.000 0.747 468 L CB -1.167 40.751 42.059 -0.235 0.000 0.903 468 L HN 0.361 nan 8.230 nan 0.000 0.435 469 G N 0.094 108.853 108.800 -0.068 0.000 2.424 469 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.214 469 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.214 469 G C 1.676 176.514 174.900 -0.104 0.000 1.202 469 G CA 0.875 45.931 45.100 -0.072 0.000 0.793 469 G HN 0.471 nan 8.290 nan 0.000 0.534 470 S N 0.644 116.310 115.700 -0.056 0.000 2.603 470 S HA 0.394 4.864 4.470 -0.000 0.000 0.229 470 S C 2.136 176.668 174.600 -0.113 0.000 0.972 470 S CA 1.111 59.277 58.200 -0.057 0.000 0.935 470 S CB 0.108 63.314 63.200 0.009 0.000 0.769 470 S HN 0.536 nan 8.310 nan 0.000 0.536 471 A N 1.469 124.139 122.820 -0.250 0.000 1.924 471 A HA 0.363 4.683 4.320 -0.000 0.000 0.211 471 A C 1.991 178.826 177.584 -1.248 0.000 1.198 471 A CA 0.694 52.341 52.037 -0.650 0.000 0.657 471 A CB -0.665 17.741 19.000 -0.989 0.000 0.852 471 A HN 0.503 nan 8.150 nan 0.000 0.454 472 L N 0.966 121.679 121.223 -0.851 0.000 2.056 472 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 472 L C 1.989 178.677 176.870 -0.304 0.000 1.078 472 L CA 2.093 56.584 54.840 -0.582 0.000 0.749 472 L CB -0.517 41.404 42.059 -0.232 0.000 0.901 472 L HN 0.548 nan 8.230 nan 0.000 0.433 473 I N -3.044 117.398 120.570 -0.213 0.000 3.550 473 I HA 0.195 4.365 4.170 -0.000 0.000 0.295 473 I C 1.423 177.481 176.117 -0.097 0.000 1.291 473 I CA 0.869 62.102 61.300 -0.111 0.000 1.298 473 I CB -0.590 37.367 38.000 -0.072 0.000 1.026 473 I HN 0.213 nan 8.210 nan 0.000 0.491 474 A N 0.046 122.778 122.820 -0.146 0.000 2.498 474 A HA 0.427 4.747 4.320 -0.000 0.000 0.238 474 A C 0.491 178.118 177.584 0.073 0.000 1.225 474 A CA -0.432 51.571 52.037 -0.055 0.000 0.978 474 A CB -0.087 18.877 19.000 -0.061 0.000 1.142 474 A HN 0.340 nan 8.150 nan 0.000 0.552 475 F N 0.664 120.555 119.950 -0.098 0.000 2.429 475 F HA 0.396 4.923 4.527 -0.000 0.000 0.348 475 F C 1.387 177.131 175.800 -0.093 0.000 1.109 475 F CA -0.426 57.501 58.000 -0.123 0.000 1.232 475 F CB 1.217 40.108 39.000 -0.182 0.000 1.157 475 F HN 0.204 nan 8.300 nan 0.000 0.564 476 G N 5.628 114.481 108.800 0.088 0.000 2.741 476 G HA2 0.462 4.422 3.960 -0.000 0.000 0.301 476 G HA3 0.462 4.422 3.960 -0.000 0.000 0.301 476 G C -0.839 174.043 174.900 -0.030 0.000 0.834 476 G CA -0.250 44.854 45.100 0.008 0.000 1.683 476 G HN 0.442 nan 8.290 nan 0.000 0.506 477 L N 1.284 122.501 121.223 -0.009 0.000 2.393 477 L HA 0.521 4.861 4.340 -0.000 0.000 0.260 477 L C 0.696 177.531 176.870 -0.057 0.000 1.002 477 L CA -1.158 53.657 54.840 -0.041 0.000 0.818 477 L CB 2.226 44.276 42.059 -0.016 0.000 1.369 477 L HN 0.445 nan 8.230 nan 0.000 0.412 478 S N 0.726 116.378 115.700 -0.079 0.000 2.596 478 S HA 0.309 4.779 4.470 -0.000 0.000 0.260 478 S C 1.193 175.691 174.600 -0.171 0.000 1.336 478 S CA 0.144 58.278 58.200 -0.110 0.000 0.993 478 S CB 1.336 64.475 63.200 -0.102 0.000 0.923 478 S HN 0.757 nan 8.310 nan 0.000 0.567 479 A N 1.170 123.820 122.820 -0.283 0.000 2.019 479 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 479 A C 2.202 179.407 177.584 -0.631 0.000 1.164 479 A CA 1.880 53.572 52.037 -0.576 0.000 0.644 479 A CB -1.778 16.688 19.000 -0.891 0.000 0.805 479 A HN 0.926 nan 8.150 nan 0.000 0.449 480 T N -0.367 114.004 114.554 -0.306 0.000 2.737 480 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 480 T C 1.880 176.602 174.700 0.037 0.000 1.038 480 T CA 1.555 63.618 62.100 -0.062 0.000 1.144 480 T CB -0.536 68.325 68.868 -0.011 0.000 0.866 480 T HN 0.165 nan 8.240 nan 0.000 0.434 481 V N 1.413 121.318 119.914 -0.015 0.000 2.237 481 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 481 V C 2.754 178.901 176.094 0.088 0.000 1.046 481 V CA 1.291 63.615 62.300 0.039 0.000 1.007 481 V CB -0.902 30.904 31.823 -0.029 0.000 0.638 481 V HN 0.287 nan 8.190 nan 0.000 0.445 482 V N 1.127 121.047 119.914 0.010 0.000 2.453 482 V HA -0.258 3.862 4.120 -0.000 0.000 0.252 482 V C 2.562 178.689 176.094 0.054 0.000 1.068 482 V CA 2.247 64.561 62.300 0.023 0.000 1.070 482 V CB -1.467 30.330 31.823 -0.044 0.000 0.664 482 V HN 0.644 nan 8.190 nan 0.000 0.461 483 G N -1.263 107.599 108.800 0.104 0.000 2.404 483 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 483 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 483 G C 1.546 176.517 174.900 0.119 0.000 1.174 483 G CA 0.871 46.065 45.100 0.157 0.000 0.780 483 G HN 0.488 nan 8.290 nan 0.000 0.537 484 F N 1.087 121.079 119.950 0.070 0.000 2.102 484 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 484 F C 2.707 178.582 175.800 0.125 0.000 1.105 484 F CA 1.497 59.554 58.000 0.095 0.000 1.239 484 F CB -0.089 38.977 39.000 0.110 0.000 0.991 484 F HN -0.000 nan 8.300 nan 0.000 0.474 485 V N 0.069 120.148 119.914 0.275 0.000 2.626 485 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 485 V C 2.630 178.776 176.094 0.086 0.000 1.067 485 V CA 1.700 64.142 62.300 0.237 0.000 1.081 485 V CB -1.370 30.624 31.823 0.285 0.000 0.686 485 V HN 0.559 nan 8.190 nan 0.000 0.468 486 G N -0.483 108.333 108.800 0.026 0.000 2.422 486 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 486 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 486 G C 1.622 176.540 174.900 0.030 0.000 1.140 486 G CA 1.130 46.225 45.100 -0.008 0.000 0.775 486 G HN 0.381 nan 8.290 nan 0.000 0.545 487 V N 0.249 120.121 119.914 -0.069 0.000 2.283 487 V HA -0.123 3.997 4.120 -0.000 0.000 0.243 487 V C 2.959 178.966 176.094 -0.144 0.000 1.039 487 V CA 1.264 63.521 62.300 -0.072 0.000 1.016 487 V CB -0.238 31.481 31.823 -0.173 0.000 0.650 487 V HN 0.223 nan 8.190 nan 0.000 0.449 488 V N 1.270 121.021 119.914 -0.272 0.000 2.231 488 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 488 V C 2.305 178.274 176.094 -0.208 0.000 1.054 488 V CA 2.834 64.945 62.300 -0.316 0.000 1.015 488 V CB -0.704 30.958 31.823 -0.270 0.000 0.638 488 V HN 0.710 nan 8.190 nan 0.000 0.444 489 I N -0.839 119.686 120.570 -0.074 0.000 2.614 489 I HA -0.033 4.137 4.170 -0.000 0.000 0.258 489 I C 2.271 178.371 176.117 -0.028 0.000 1.189 489 I CA 1.689 62.958 61.300 -0.052 0.000 1.462 489 I CB -0.586 37.410 38.000 -0.007 0.000 1.092 489 I HN 0.152 nan 8.210 nan 0.000 0.442 490 A N 1.883 124.702 122.820 -0.002 0.000 1.897 490 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 490 A C 2.399 179.968 177.584 -0.025 0.000 1.181 490 A CA 1.289 53.321 52.037 -0.008 0.000 0.620 490 A CB -1.465 17.565 19.000 0.050 0.000 0.821 490 A HN 0.501 nan 8.150 nan 0.000 0.443 491 G N -0.577 108.195 108.800 -0.046 0.000 2.422 491 G HA2 0.074 4.034 3.960 -0.000 0.000 0.218 491 G HA3 0.074 4.034 3.960 -0.000 0.000 0.218 491 G C 1.612 176.470 174.900 -0.069 0.000 1.140 491 G CA 1.348 46.409 45.100 -0.065 0.000 0.775 491 G HN 0.716 nan 8.290 nan 0.000 0.545 492 A N 0.865 123.648 122.820 -0.062 0.000 1.855 492 A HA 0.189 4.509 4.320 -0.000 0.000 0.213 492 A C 2.329 180.074 177.584 0.268 0.000 1.195 492 A CA 0.976 53.040 52.037 0.045 0.000 0.610 492 A CB -0.325 18.733 19.000 0.097 0.000 0.837 492 A HN 0.299 nan 8.150 nan 0.000 0.444 493 I N 0.235 120.979 120.570 0.290 0.000 2.335 493 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 493 I C 2.608 178.862 176.117 0.227 0.000 1.129 493 I CA 0.946 62.446 61.300 0.334 0.000 1.402 493 I CB -0.545 37.548 38.000 0.155 0.000 1.069 493 I HN 0.407 nan 8.210 nan 0.000 0.424 494 G N 0.778 109.664 108.800 0.143 0.000 2.459 494 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 494 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 494 G C 1.875 176.908 174.900 0.223 0.000 1.183 494 G CA 0.848 46.099 45.100 0.252 0.000 0.776 494 G HN 0.492 nan 8.290 nan 0.000 0.552 495 A N -0.005 122.830 122.820 0.025 0.000 2.032 495 A HA 0.061 4.381 4.320 -0.000 0.000 0.221 495 A C 2.067 179.503 177.584 -0.247 0.000 1.165 495 A CA 1.256 53.199 52.037 -0.157 0.000 0.645 495 A CB -0.524 18.286 19.000 -0.316 0.000 0.807 495 A HN 0.384 nan 8.150 nan 0.000 0.453 496 F N -1.102 118.852 119.950 0.006 0.000 2.789 496 F HA 0.220 4.747 4.527 -0.000 0.000 0.300 496 F C 1.670 177.496 175.800 0.042 0.000 1.132 496 F CA 0.416 58.401 58.000 -0.025 0.000 1.404 496 F CB 0.167 39.114 39.000 -0.088 0.000 1.114 496 F HN 0.161 nan 8.300 nan 0.000 0.584 497 I N -2.435 118.272 120.570 0.228 0.000 3.570 497 I HA 0.135 4.305 4.170 -0.000 0.000 0.270 497 I C -0.161 176.022 176.117 0.109 0.000 1.162 497 I CA 0.240 61.702 61.300 0.270 0.000 1.413 497 I CB 0.548 38.794 38.000 0.409 0.000 1.437 497 I HN -0.222 nan 8.210 nan 0.000 0.457 498 D N -0.025 120.368 120.400 -0.012 0.000 2.654 498 D HA 0.071 4.711 4.640 -0.000 0.000 0.231 498 D C -0.898 175.265 176.300 -0.229 0.000 1.239 498 D CA -0.254 53.584 54.000 -0.270 0.000 0.790 498 D CB 2.677 43.016 40.800 -0.769 0.000 1.480 498 D HN -0.020 nan 8.370 nan 0.000 0.442 499 D N 0.657 120.939 120.400 -0.197 0.000 2.323 499 D HA -0.046 4.594 4.640 -0.000 0.000 0.209 499 D C 1.469 177.684 176.300 -0.141 0.000 0.973 499 D CA 0.781 54.702 54.000 -0.132 0.000 0.874 499 D CB 0.466 41.206 40.800 -0.101 0.000 0.930 499 D HN 0.079 nan 8.370 nan 0.000 0.521 500 K N 0.338 120.586 120.400 -0.253 0.000 2.015 500 K HA -0.193 4.127 4.320 -0.000 0.000 0.216 500 K C 1.924 178.497 176.600 -0.045 0.000 1.052 500 K CA 1.037 57.202 56.287 -0.203 0.000 0.937 500 K CB -1.071 31.221 32.500 -0.346 0.000 0.719 500 K HN 0.283 nan 8.250 nan 0.000 0.446 501 F N 0.805 120.740 119.950 -0.025 0.000 2.154 501 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 501 F C 2.397 178.166 175.800 -0.051 0.000 1.087 501 F CA 0.629 58.606 58.000 -0.038 0.000 1.274 501 F CB -1.209 37.770 39.000 -0.036 0.000 1.009 501 F HN -0.216 nan 8.300 nan 0.000 0.485 502 V N -0.755 119.221 119.914 0.104 0.000 3.235 502 V HA -0.096 4.024 4.120 -0.000 0.000 0.259 502 V C 1.632 177.701 176.094 -0.041 0.000 1.133 502 V CA 1.064 63.370 62.300 0.011 0.000 1.128 502 V CB -0.382 31.421 31.823 -0.034 0.000 0.757 502 V HN 0.131 nan 8.190 nan 0.000 0.469 503 D N 0.275 120.656 120.400 -0.032 0.000 2.162 503 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 503 D C 2.149 178.448 176.300 -0.002 0.000 0.967 503 D CA 0.807 54.768 54.000 -0.066 0.000 0.840 503 D CB 0.074 40.878 40.800 0.007 0.000 0.972 503 D HN 0.360 nan 8.370 nan 0.000 0.482 504 E N 0.108 120.343 120.200 0.059 0.000 2.118 504 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 504 E C 1.845 178.482 176.600 0.061 0.000 0.992 504 E CA 0.363 56.810 56.400 0.079 0.000 0.804 504 E CB -0.071 29.686 29.700 0.094 0.000 0.741 504 E HN 0.079 nan 8.360 nan 0.000 0.458 505 L N 0.968 122.214 121.223 0.039 0.000 1.961 505 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 505 L C 1.818 178.693 176.870 0.009 0.000 1.072 505 L CA 1.744 56.603 54.840 0.033 0.000 0.749 505 L CB -1.254 40.813 42.059 0.013 0.000 0.889 505 L HN 0.160 nan 8.230 nan 0.000 0.432 506 N N -1.108 117.560 118.700 -0.053 0.000 2.043 506 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 506 N C 1.873 177.380 175.510 -0.005 0.000 1.037 506 N CA 1.414 54.413 53.050 -0.084 0.000 0.851 506 N CB -0.335 38.015 38.487 -0.228 0.000 1.027 506 N HN 0.403 nan 8.380 nan 0.000 0.422 507 H N 0.029 119.110 119.070 0.019 0.000 2.448 507 H HA 0.179 4.735 4.556 -0.000 0.000 0.292 507 H C 1.347 176.686 175.328 0.018 0.000 1.035 507 H CA 0.915 56.972 56.048 0.016 0.000 1.349 507 H CB 0.387 30.156 29.762 0.013 0.000 1.425 507 H HN 0.280 nan 8.280 nan 0.000 0.539 508 K N -0.591 119.889 120.400 0.134 0.000 2.391 508 K HA 0.238 4.558 4.320 -0.000 0.000 0.197 508 K C 1.543 178.182 176.600 0.065 0.000 1.087 508 K CA 0.147 56.485 56.287 0.085 0.000 1.012 508 K CB 1.350 33.894 32.500 0.074 0.000 0.925 508 K HN 0.106 nan 8.250 nan 0.000 0.547 509 I N 0.120 120.730 120.570 0.066 0.000 3.194 509 I HA -0.006 4.164 4.170 -0.000 0.000 0.271 509 I C 1.924 178.063 176.117 0.037 0.000 1.150 509 I CA 0.484 61.821 61.300 0.062 0.000 1.440 509 I CB 0.125 38.189 38.000 0.107 0.000 1.276 509 I HN -0.026 nan 8.210 nan 0.000 0.457 510 I N 0.616 121.207 120.570 0.035 0.000 2.206 510 I HA -0.095 4.075 4.170 -0.000 0.000 0.239 510 I C 0.503 176.640 176.117 0.033 0.000 1.078 510 I CA 0.668 61.984 61.300 0.027 0.000 1.367 510 I CB -0.164 37.850 38.000 0.023 0.000 1.078 510 I HN 0.124 nan 8.210 nan 0.000 0.413 511 K N 0.000 120.425 120.400 0.042 0.000 2.780 511 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 511 K CA 0.000 56.317 56.287 0.050 0.000 0.838 511 K CB 0.000 32.525 32.500 0.041 0.000 1.064 511 K HN 0.000 nan 8.250 nan 0.000 0.543