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 1zrt_1_P DATA FIRST_RESID 2 DATA SEQUENCE SGIPHDHYEP KTGIEKWLHD RLPIVGLVYD TIMIPTPKNL NWWWIWGIVL DATA SEQUENCE AFTLVLQIVT GIVLAMHYTP HVDLAFASVE HIMRDVNGGW AMRYIHANGA DATA SEQUENCE SLFFLAVYIH IFRGLYYGSY KAPREITWIV GMVIYLLMMG TAFMGYVLPW DATA SEQUENCE GQMSFWGATV ITGLFGAIPG IGPSIQAWLL GGPAVDNATL NRFFSLHYLL DATA SEQUENCE PFVIAALVAI HIWAFHTTGN NNPTGVEVRR TSKADAEKDT LPFWPYFVIK DATA SEQUENCE DLFALALVLL GFFAVVAYMP NYLGHPDNYV QANPLSTPAH IVPEWYFLPF DATA SEQUENCE YAILRAFAAD VWVVILVDGL TFGIVDAKFF GVIAMFGAIA VMALAPWLDT DATA SEQUENCE SKVRSGAYRP KFRMWFWFLV LDFVVLTWVG AMPTEYPYDW ISLIASTYWF DATA SEQUENCE AYFLVILPLL GATEKPEPIP ASIEEDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.601 174.600 0.001 0.000 1.055 2 S CA 0.000 58.196 58.200 -0.006 0.000 1.107 2 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 3 G N -1.201 107.601 108.800 0.004 0.000 2.291 3 G HA2 0.336 4.295 3.960 -0.000 0.000 0.271 3 G HA3 0.336 4.295 3.960 -0.000 0.000 0.271 3 G C 0.796 175.707 174.900 0.017 0.000 1.099 3 G CA 0.669 45.774 45.100 0.008 0.000 0.919 3 G HN 2.346 nan 8.290 nan 0.000 0.496 4 I N -0.551 120.032 120.570 0.021 0.000 3.432 4 I HA 0.953 5.122 4.170 -0.000 0.000 0.291 4 I C 0.322 176.460 176.117 0.035 0.000 1.127 4 I CA -0.450 60.870 61.300 0.033 0.000 0.962 4 I CB -0.850 37.172 38.000 0.036 0.000 1.550 4 I HN 0.589 nan 8.210 nan 0.000 0.736 5 P HA 0.100 nan 4.420 nan 0.000 0.226 5 P C 0.954 178.273 177.300 0.032 0.000 1.146 5 P CA 3.760 66.885 63.100 0.041 0.000 0.773 5 P CB -1.578 30.152 31.700 0.050 0.000 0.772 6 H N -5.040 114.049 119.070 0.031 0.000 3.284 6 H HA -0.261 4.295 4.556 -0.000 0.000 0.257 6 H C 1.285 176.628 175.328 0.025 0.000 1.091 6 H CA 2.207 58.270 56.048 0.026 0.000 1.190 6 H CB -2.781 26.993 29.762 0.021 0.000 1.268 6 H HN 0.875 nan 8.280 nan 0.000 0.322 7 D N -1.928 118.488 120.400 0.026 0.000 1.861 7 D HA 0.166 4.806 4.640 -0.000 0.000 0.502 7 D C 2.035 178.346 176.300 0.018 0.000 1.425 7 D CA 4.747 58.759 54.000 0.020 0.000 1.413 7 D CB -1.662 39.148 40.800 0.017 0.000 2.158 7 D HN 2.756 nan 8.370 nan 0.000 0.664 8 H N -4.546 114.533 119.070 0.015 0.000 4.923 8 H HA 0.081 4.636 4.556 -0.000 0.000 0.073 8 H C 2.250 177.586 175.328 0.013 0.000 0.574 8 H CA 4.093 60.150 56.048 0.016 0.000 1.046 8 H CB -1.978 27.798 29.762 0.022 0.000 0.465 8 H HN 2.770 nan 8.280 nan 0.000 0.757 9 Y N -0.501 119.807 120.300 0.014 0.000 2.836 9 Y HA 0.245 4.795 4.550 -0.000 0.000 0.470 9 Y C 2.433 178.343 175.900 0.016 0.000 1.158 9 Y CA 4.365 62.472 58.100 0.013 0.000 2.671 9 Y CB -2.401 36.064 38.460 0.008 0.000 1.183 9 Y HN 3.313 nan 8.280 nan 0.000 0.621 10 E N -3.386 116.824 120.200 0.017 0.000 4.373 10 E HA 0.188 4.538 4.350 -0.000 0.000 0.412 10 E C 0.100 176.710 176.600 0.018 0.000 0.537 10 E CA 2.009 58.422 56.400 0.022 0.000 1.539 10 E CB -3.248 26.465 29.700 0.021 0.000 1.964 10 E HN 2.581 nan 8.360 nan 0.000 0.298 11 P HA 0.173 nan 4.420 nan 0.000 0.206 11 P C 1.993 179.300 177.300 0.013 0.000 1.209 11 P CA 3.952 67.059 63.100 0.011 0.000 0.923 11 P CB -0.590 31.116 31.700 0.010 0.000 0.761 12 K N -2.069 118.338 120.400 0.012 0.000 2.523 12 K HA -0.110 4.210 4.320 -0.000 0.000 0.197 12 K C 1.336 177.946 176.600 0.017 0.000 0.788 12 K CA 4.629 60.925 56.287 0.014 0.000 1.012 12 K CB -2.360 30.149 32.500 0.015 0.000 1.260 12 K HN 1.521 nan 8.250 nan 0.000 0.583 13 T N -5.738 108.829 114.554 0.022 0.000 2.684 13 T HA 0.585 4.935 4.350 -0.000 0.000 0.279 13 T C 1.634 176.348 174.700 0.024 0.000 1.997 13 T CA 0.714 62.826 62.100 0.021 0.000 0.938 13 T CB -0.689 68.194 68.868 0.025 0.000 2.162 13 T HN 1.251 nan 8.240 nan 0.000 0.423 14 G N 0.181 108.992 108.800 0.019 0.000 2.402 14 G HA2 0.316 4.275 3.960 -0.000 0.000 0.216 14 G HA3 0.316 4.275 3.960 -0.000 0.000 0.216 14 G C 2.070 177.008 174.900 0.063 0.000 1.162 14 G CA 2.621 47.725 45.100 0.008 0.000 0.777 14 G HN 1.769 nan 8.290 nan 0.000 0.539 15 I N 1.048 121.673 120.570 0.092 0.000 2.091 15 I HA 0.064 4.234 4.170 -0.000 0.000 0.239 15 I C 2.851 179.059 176.117 0.150 0.000 1.061 15 I CA 3.178 64.568 61.300 0.150 0.000 1.317 15 I CB -1.711 36.349 38.000 0.100 0.000 1.031 15 I HN 0.499 nan 8.210 nan 0.000 0.401 16 E N 0.809 121.063 120.200 0.090 0.000 2.097 16 E HA -0.319 4.030 4.350 -0.000 0.000 0.196 16 E C 2.476 179.135 176.600 0.098 0.000 1.000 16 E CA 3.665 60.111 56.400 0.076 0.000 0.804 16 E CB -1.491 28.236 29.700 0.044 0.000 0.740 16 E HN 1.139 nan 8.360 nan 0.000 0.454 17 K N -0.407 120.046 120.400 0.088 0.000 2.009 17 K HA -0.105 4.215 4.320 -0.000 0.000 0.210 17 K C 2.040 178.747 176.600 0.178 0.000 1.049 17 K CA 1.520 57.853 56.287 0.076 0.000 0.929 17 K CB -1.327 31.174 32.500 0.001 0.000 0.714 17 K HN 0.753 nan 8.250 nan 0.000 0.440 18 W N 0.248 121.550 121.300 0.003 0.000 2.282 18 W HA -0.164 4.497 4.660 0.001 0.000 0.325 18 W C 2.617 179.138 176.519 0.004 0.000 1.211 18 W CA 1.757 59.104 57.345 0.004 0.000 1.209 18 W CB -0.334 29.128 29.460 0.004 0.000 1.185 18 W HN 0.302 nan 8.180 nan 0.000 0.454 19 L N 0.342 121.733 121.223 0.280 0.000 2.651 19 L HA -0.095 4.245 4.340 -0.000 0.000 0.236 19 L C 1.853 178.785 176.870 0.103 0.000 1.173 19 L CA 2.647 57.545 54.840 0.096 0.000 0.843 19 L CB -2.892 39.192 42.059 0.041 0.000 0.964 19 L HN 0.602 nan 8.230 nan 0.000 0.454 20 H N -2.455 116.705 119.070 0.150 0.000 2.592 20 H HA 0.356 4.912 4.556 -0.000 0.000 0.265 20 H C 1.926 177.327 175.328 0.122 0.000 0.955 20 H CA 1.430 57.541 56.048 0.105 0.000 1.175 20 H CB -0.409 29.405 29.762 0.086 0.000 1.433 20 H HN 0.803 nan 8.280 nan 0.000 0.537 21 D N 0.213 120.736 120.400 0.205 0.000 2.336 21 D HA 0.230 4.870 4.640 -0.000 0.000 0.229 21 D C 0.791 177.178 176.300 0.145 0.000 1.061 21 D CA -0.066 54.072 54.000 0.230 0.000 0.875 21 D CB 0.208 41.304 40.800 0.493 0.000 0.904 21 D HN 0.383 nan 8.370 nan 0.000 0.525 22 R N -0.101 120.457 120.500 0.097 0.000 2.515 22 R HA 0.396 4.735 4.340 -0.000 0.000 0.291 22 R C 1.186 177.501 176.300 0.026 0.000 1.046 22 R CA -0.258 55.864 56.100 0.036 0.000 0.914 22 R CB 1.563 31.854 30.300 -0.015 0.000 1.191 22 R HN 0.196 nan 8.270 nan 0.000 0.435 23 L N 3.515 124.749 121.223 0.019 0.000 2.046 23 L HA -0.188 4.152 4.340 -0.000 0.000 0.245 23 L C -0.411 176.462 176.870 0.006 0.000 1.090 23 L CA 1.770 56.620 54.840 0.015 0.000 0.852 23 L CB -2.823 39.242 42.059 0.010 0.000 0.923 23 L HN 0.762 nan 8.230 nan 0.000 0.431 24 P HA -0.441 nan 4.420 nan 0.000 0.260 24 P C 1.579 178.876 177.300 -0.006 0.000 0.772 24 P CA 2.475 65.568 63.100 -0.012 0.000 1.039 24 P CB -0.760 30.929 31.700 -0.018 0.000 0.829 25 I N 1.301 121.869 120.570 -0.004 0.000 2.103 25 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 25 I C 2.612 178.729 176.117 -0.000 0.000 1.036 25 I CA 3.242 64.540 61.300 -0.004 0.000 1.300 25 I CB -1.747 36.257 38.000 0.006 0.000 1.010 25 I HN 0.396 nan 8.210 nan 0.000 0.406 26 V N 1.436 121.356 119.914 0.010 0.000 2.217 26 V HA -0.302 3.817 4.120 -0.000 0.000 0.248 26 V C 2.723 178.827 176.094 0.017 0.000 1.050 26 V CA 3.667 65.977 62.300 0.017 0.000 1.007 26 V CB -1.950 29.889 31.823 0.026 0.000 0.639 26 V HN 0.500 nan 8.190 nan 0.000 0.452 27 G N -1.095 107.715 108.800 0.017 0.000 2.476 27 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 27 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 27 G C 1.837 176.744 174.900 0.012 0.000 1.164 27 G CA 2.440 47.551 45.100 0.018 0.000 0.768 27 G HN 0.961 nan 8.290 nan 0.000 0.560 28 L N 0.947 122.170 121.223 0.001 0.000 1.941 28 L HA -0.035 4.305 4.340 -0.000 0.000 0.224 28 L C 3.420 180.291 176.870 0.002 0.000 1.081 28 L CA 3.099 57.939 54.840 -0.001 0.000 0.784 28 L CB -1.338 40.715 42.059 -0.011 0.000 0.894 28 L HN 0.572 nan 8.230 nan 0.000 0.436 29 V N -1.658 118.245 119.914 -0.018 0.000 2.220 29 V HA -0.355 3.764 4.120 -0.000 0.000 0.250 29 V C 2.373 178.475 176.094 0.013 0.000 1.053 29 V CA 3.783 66.066 62.300 -0.030 0.000 1.019 29 V CB -1.726 30.077 31.823 -0.033 0.000 0.646 29 V HN 0.685 nan 8.190 nan 0.000 0.455 30 Y N -0.426 119.891 120.300 0.027 0.000 2.043 30 Y HA -0.338 4.212 4.550 -0.000 0.000 0.208 30 Y C 2.638 178.591 175.900 0.087 0.000 0.977 30 Y CA 1.704 59.836 58.100 0.053 0.000 0.958 30 Y CB -1.359 37.133 38.460 0.054 0.000 0.921 30 Y HN 0.708 nan 8.280 nan 0.000 0.542 31 D N -1.279 119.184 120.400 0.106 0.000 2.172 31 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 31 D C 1.877 178.288 176.300 0.185 0.000 0.999 31 D CA 2.071 56.178 54.000 0.178 0.000 0.856 31 D CB -0.454 40.420 40.800 0.124 0.000 0.934 31 D HN 0.407 nan 8.370 nan 0.000 0.453 32 T N -1.330 113.278 114.554 0.090 0.000 3.081 32 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 32 T C 1.505 176.294 174.700 0.149 0.000 1.113 32 T CA 0.324 62.474 62.100 0.082 0.000 1.082 32 T CB 0.435 69.327 68.868 0.039 0.000 0.939 32 T HN 0.113 nan 8.240 nan 0.000 0.506 33 I N -1.088 119.574 120.570 0.152 0.000 3.680 33 I HA 0.195 4.364 4.170 -0.000 0.000 0.261 33 I C 0.225 176.508 176.117 0.277 0.000 1.121 33 I CA -0.077 61.361 61.300 0.230 0.000 1.429 33 I CB 0.407 38.446 38.000 0.066 0.000 1.719 33 I HN -0.015 nan 8.210 nan 0.000 0.413 34 M N 2.660 122.355 119.600 0.158 0.000 3.663 34 M HA 0.209 4.689 4.480 -0.000 0.000 0.198 34 M C -0.165 176.231 176.300 0.160 0.000 1.365 34 M CA 0.104 55.505 55.300 0.168 0.000 1.595 34 M CB -0.950 31.704 32.600 0.090 0.000 1.120 34 M HN -0.004 nan 8.290 nan 0.000 0.522 35 I N 1.928 122.610 120.570 0.187 0.000 2.359 35 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 35 I C -2.193 174.000 176.117 0.126 0.000 0.987 35 I CA -2.502 58.855 61.300 0.095 0.000 1.225 35 I CB 1.827 39.805 38.000 -0.037 0.000 1.366 35 I HN 0.202 nan 8.210 nan 0.000 0.466 36 P HA 0.111 nan 4.420 nan 0.000 0.257 36 P C -0.984 176.315 177.300 -0.001 0.000 1.189 36 P CA 0.578 63.715 63.100 0.063 0.000 0.780 36 P CB -0.034 31.686 31.700 0.034 0.000 0.772 37 T N 5.619 120.141 114.554 -0.054 0.000 2.809 37 T HA 0.349 4.699 4.350 -0.000 0.000 0.284 37 T C -2.612 171.958 174.700 -0.216 0.000 0.992 37 T CA -2.277 59.605 62.100 -0.363 0.000 0.957 37 T CB 1.127 69.269 68.868 -1.210 0.000 0.942 37 T HN 0.029 nan 8.240 nan 0.000 0.439 38 P HA -0.034 nan 4.420 nan 0.000 0.255 38 P C 1.009 178.414 177.300 0.175 0.000 1.173 38 P CA 0.120 63.207 63.100 -0.022 0.000 0.780 38 P CB 0.475 32.099 31.700 -0.126 0.000 0.758 39 K N 5.979 126.498 120.400 0.198 0.000 2.052 39 K HA -0.340 3.980 4.320 -0.000 0.000 0.215 39 K C 1.542 178.174 176.600 0.053 0.000 1.053 39 K CA 2.400 58.787 56.287 0.166 0.000 0.934 39 K CB -0.408 32.092 32.500 -0.000 0.000 0.717 39 K HN 0.396 nan 8.250 nan 0.000 0.450 40 N N 1.855 120.538 118.700 -0.028 0.000 2.132 40 N HA -0.241 4.498 4.740 -0.000 0.000 0.191 40 N C 0.538 175.983 175.510 -0.108 0.000 1.015 40 N CA 1.119 54.112 53.050 -0.094 0.000 0.864 40 N CB -1.201 37.210 38.487 -0.128 0.000 1.006 40 N HN 0.327 nan 8.380 nan 0.000 0.430 41 L N 1.630 122.778 121.223 -0.125 0.000 3.374 41 L HA -0.199 4.141 4.340 -0.000 0.000 0.354 41 L C 0.369 177.279 176.870 0.068 0.000 0.900 41 L CA 0.222 54.937 54.840 -0.208 0.000 0.918 41 L CB -1.345 40.828 42.059 0.190 0.000 1.487 41 L HN 0.272 nan 8.230 nan 0.000 0.578 42 N N 2.039 120.805 118.700 0.110 0.000 2.273 42 N HA -0.114 4.625 4.740 -0.000 0.000 0.227 42 N C 0.985 176.877 175.510 0.638 0.000 1.292 42 N CA 0.414 53.691 53.050 0.377 0.000 0.875 42 N CB 0.302 39.140 38.487 0.584 0.000 1.105 42 N HN 0.468 nan 8.380 nan 0.000 0.434 43 W N 0.020 121.451 121.300 0.218 0.000 2.338 43 W HA -0.181 4.479 4.660 0.000 0.000 0.304 43 W C 1.370 178.056 176.519 0.278 0.000 1.212 43 W CA -0.086 57.364 57.345 0.175 0.000 1.264 43 W CB -0.130 29.372 29.460 0.070 0.000 1.142 43 W HN 0.675 nan 8.180 nan 0.000 0.512 44 W N -0.712 120.754 121.300 0.276 0.000 2.436 44 W HA -0.250 4.410 4.660 -0.000 0.000 0.261 44 W C 1.663 178.087 176.519 -0.157 0.000 1.222 44 W CA -0.195 57.137 57.345 -0.022 0.000 1.191 44 W CB -0.576 28.937 29.460 0.087 0.000 1.132 44 W HN 0.067 nan 8.180 nan 0.000 0.596 45 W N -0.008 121.427 121.300 0.226 0.000 3.377 45 W HA 0.056 4.716 4.660 -0.000 0.000 0.277 45 W C 1.041 177.617 176.519 0.095 0.000 1.311 45 W CA 0.134 57.583 57.345 0.174 0.000 1.703 45 W CB -0.237 29.375 29.460 0.252 0.000 1.095 45 W HN -0.173 nan 8.180 nan 0.000 0.715 46 I N -1.197 119.340 120.570 -0.056 0.000 3.812 46 I HA 0.010 4.180 4.170 -0.000 0.000 0.319 46 I C 1.149 177.327 176.117 0.102 0.000 1.353 46 I CA 0.711 61.957 61.300 -0.089 0.000 1.170 46 I CB -0.535 37.194 38.000 -0.451 0.000 1.057 46 I HN -0.063 nan 8.210 nan 0.000 0.411 47 W N -0.162 121.116 121.300 -0.037 0.000 2.574 47 W HA 0.147 4.806 4.660 -0.001 0.000 0.282 47 W C 2.414 179.043 176.519 0.183 0.000 1.197 47 W CA 0.433 57.838 57.345 0.100 0.000 1.376 47 W CB -0.159 29.348 29.460 0.078 0.000 1.091 47 W HN 0.247 nan 8.180 nan 0.000 0.569 48 G N 0.943 110.064 108.800 0.535 0.000 2.450 48 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 48 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 48 G C 1.272 176.265 174.900 0.154 0.000 1.130 48 G CA 1.230 46.426 45.100 0.161 0.000 0.760 48 G HN 0.179 nan 8.290 nan 0.000 0.557 49 I N 0.481 121.198 120.570 0.246 0.000 2.099 49 I HA -0.156 4.014 4.170 -0.000 0.000 0.239 49 I C 2.671 178.916 176.117 0.214 0.000 1.066 49 I CA 1.257 62.699 61.300 0.236 0.000 1.324 49 I CB -0.607 37.537 38.000 0.240 0.000 1.037 49 I HN 0.053 nan 8.210 nan 0.000 0.401 50 V N 0.470 120.556 119.914 0.287 0.000 2.332 50 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 50 V C 2.556 178.710 176.094 0.100 0.000 1.055 50 V CA 2.249 64.709 62.300 0.267 0.000 1.038 50 V CB -0.418 31.685 31.823 0.467 0.000 0.651 50 V HN 0.494 nan 8.190 nan 0.000 0.450 51 L N -0.337 120.844 121.223 -0.070 0.000 1.944 51 L HA -0.238 4.102 4.340 -0.000 0.000 0.218 51 L C 2.753 179.457 176.870 -0.276 0.000 1.075 51 L CA 2.148 56.758 54.840 -0.384 0.000 0.767 51 L CB -0.979 40.725 42.059 -0.591 0.000 0.890 51 L HN 0.393 nan 8.230 nan 0.000 0.434 52 A N -0.450 122.296 122.820 -0.122 0.000 1.940 52 A HA -0.340 3.980 4.320 -0.000 0.000 0.221 52 A C 2.161 179.748 177.584 0.006 0.000 1.190 52 A CA 2.366 54.383 52.037 -0.033 0.000 0.647 52 A CB -1.133 17.908 19.000 0.068 0.000 0.821 52 A HN 0.478 nan 8.150 nan 0.000 0.457 53 F N 1.454 121.388 119.950 -0.026 0.000 2.046 53 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 53 F C 2.536 178.322 175.800 -0.023 0.000 1.123 53 F CA 2.507 60.501 58.000 -0.010 0.000 1.199 53 F CB -1.047 37.952 39.000 -0.001 0.000 0.972 53 F HN 0.258 nan 8.300 nan 0.000 0.474 54 T N 2.820 117.289 114.554 -0.142 0.000 2.592 54 T HA -0.297 4.053 4.350 -0.000 0.000 0.267 54 T C 2.074 176.698 174.700 -0.126 0.000 1.060 54 T CA 1.792 63.779 62.100 -0.189 0.000 1.167 54 T CB -1.021 67.853 68.868 0.009 0.000 0.863 54 T HN 0.332 nan 8.240 nan 0.000 0.431 55 L N 1.471 122.743 121.223 0.082 0.000 1.991 55 L HA -0.176 4.163 4.340 -0.000 0.000 0.221 55 L C 2.534 179.326 176.870 -0.131 0.000 1.079 55 L CA 2.050 56.991 54.840 0.169 0.000 0.778 55 L CB -1.305 40.861 42.059 0.179 0.000 0.893 55 L HN 0.204 nan 8.230 nan 0.000 0.437 56 V N 0.078 119.863 119.914 -0.216 0.000 2.332 56 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 56 V C 2.731 178.633 176.094 -0.320 0.000 1.055 56 V CA 1.739 63.888 62.300 -0.253 0.000 1.038 56 V CB -0.593 31.108 31.823 -0.203 0.000 0.651 56 V HN 0.543 nan 8.190 nan 0.000 0.450 57 L N -0.035 120.874 121.223 -0.522 0.000 1.951 57 L HA -0.266 4.074 4.340 -0.000 0.000 0.222 57 L C 2.575 179.285 176.870 -0.267 0.000 1.078 57 L CA 2.171 56.745 54.840 -0.444 0.000 0.778 57 L CB -0.952 40.762 42.059 -0.574 0.000 0.893 57 L HN 0.301 nan 8.230 nan 0.000 0.436 58 Q N -0.455 119.174 119.800 -0.285 0.000 2.012 58 Q HA -0.284 4.056 4.340 -0.000 0.000 0.211 58 Q C 2.276 178.105 176.000 -0.286 0.000 1.009 58 Q CA 2.631 58.225 55.803 -0.347 0.000 0.866 58 Q CB -0.832 27.686 28.738 -0.367 0.000 0.945 58 Q HN 0.560 nan 8.270 nan 0.000 0.414 59 I N 0.037 120.438 120.570 -0.281 0.000 2.068 59 I HA -0.319 3.851 4.170 -0.000 0.000 0.238 59 I C 2.520 178.519 176.117 -0.198 0.000 1.046 59 I CA 1.343 62.464 61.300 -0.298 0.000 1.306 59 I CB -1.205 36.570 38.000 -0.375 0.000 1.023 59 I HN 0.011 nan 8.210 nan 0.000 0.399 60 V N -0.619 119.201 119.914 -0.156 0.000 2.219 60 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 60 V C 2.472 178.549 176.094 -0.027 0.000 1.053 60 V CA 2.655 64.907 62.300 -0.080 0.000 1.009 60 V CB -1.819 29.972 31.823 -0.054 0.000 0.636 60 V HN 0.635 nan 8.190 nan 0.000 0.445 61 T N 0.481 115.032 114.554 -0.005 0.000 2.620 61 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 61 T C 1.890 176.682 174.700 0.153 0.000 1.044 61 T CA 2.955 65.101 62.100 0.076 0.000 1.161 61 T CB -1.027 67.906 68.868 0.108 0.000 0.862 61 T HN 0.675 nan 8.240 nan 0.000 0.438 62 G N 2.172 111.131 108.800 0.265 0.000 2.628 62 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 62 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 62 G C 1.615 176.477 174.900 -0.063 0.000 1.240 62 G CA 1.056 46.284 45.100 0.213 0.000 0.792 62 G HN 0.584 nan 8.290 nan 0.000 0.593 63 I N 2.014 122.499 120.570 -0.142 0.000 2.264 63 I HA -0.171 3.998 4.170 -0.000 0.000 0.248 63 I C 2.923 179.026 176.117 -0.022 0.000 1.111 63 I CA 2.323 63.520 61.300 -0.171 0.000 1.382 63 I CB -0.765 37.141 38.000 -0.157 0.000 1.060 63 I HN 0.209 nan 8.210 nan 0.000 0.418 64 V N 0.629 120.549 119.914 0.011 0.000 2.295 64 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 64 V C 2.534 178.699 176.094 0.118 0.000 1.049 64 V CA 2.040 64.378 62.300 0.064 0.000 1.024 64 V CB -1.109 30.751 31.823 0.063 0.000 0.648 64 V HN 0.531 nan 8.190 nan 0.000 0.447 65 L N 0.660 121.925 121.223 0.070 0.000 1.994 65 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 65 L C 2.695 179.643 176.870 0.130 0.000 1.071 65 L CA 2.151 57.032 54.840 0.068 0.000 0.745 65 L CB -0.817 41.187 42.059 -0.092 0.000 0.892 65 L HN 0.446 nan 8.230 nan 0.000 0.431 66 A N -0.367 122.496 122.820 0.071 0.000 2.178 66 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 66 A C 2.133 179.860 177.584 0.237 0.000 1.157 66 A CA 1.377 53.534 52.037 0.201 0.000 0.689 66 A CB -0.655 18.461 19.000 0.193 0.000 0.787 66 A HN 0.651 nan 8.150 nan 0.000 0.465 67 M N -1.281 118.387 119.600 0.114 0.000 2.682 67 M HA 0.001 4.481 4.480 -0.000 0.000 0.235 67 M C 0.755 176.870 176.300 -0.308 0.000 1.114 67 M CA 1.147 56.420 55.300 -0.044 0.000 1.053 67 M CB -0.182 32.359 32.600 -0.098 0.000 1.599 67 M HN 0.569 nan 8.290 nan 0.000 0.520 68 H N -2.798 116.359 119.070 0.144 0.000 3.436 68 H HA 0.135 4.692 4.556 0.001 0.000 0.244 68 H C -0.152 175.246 175.328 0.117 0.000 1.009 68 H CA -0.253 55.871 56.048 0.126 0.000 1.129 68 H CB 0.252 30.118 29.762 0.172 0.000 1.473 68 H HN 0.324 nan 8.280 nan 0.000 0.510 69 Y N 1.858 122.229 120.300 0.118 0.000 2.379 69 Y HA 0.207 4.756 4.550 -0.001 0.000 0.354 69 Y C -0.119 175.733 175.900 -0.081 0.000 1.269 69 Y CA 0.515 58.635 58.100 0.033 0.000 1.532 69 Y CB 0.639 39.125 38.460 0.043 0.000 1.371 69 Y HN -0.064 nan 8.280 nan 0.000 0.666 70 T N 5.131 118.863 114.554 -1.370 0.000 3.293 70 T HA 0.289 4.639 4.350 -0.000 0.000 0.320 70 T C -3.012 170.816 174.700 -1.453 0.000 0.995 70 T CA -1.115 60.351 62.100 -1.057 0.000 1.041 70 T CB 1.395 69.917 68.868 -0.577 0.000 1.058 70 T HN 0.369 nan 8.240 nan 0.000 0.453 71 P HA 0.498 nan 4.420 nan 0.000 0.293 71 P C -0.883 176.244 177.300 -0.288 0.000 1.300 71 P CA -0.009 62.814 63.100 -0.462 0.000 0.792 71 P CB 0.462 31.881 31.700 -0.468 0.000 0.925 72 H N 2.241 121.085 119.070 -0.376 0.000 5.177 72 H HA -0.057 4.499 4.556 -0.001 0.000 0.734 72 H C -0.178 174.861 175.328 -0.481 0.000 1.946 72 H CA -0.293 55.520 56.048 -0.391 0.000 1.551 72 H CB -0.134 29.430 29.762 -0.330 0.000 4.010 72 H HN 0.030 nan 8.280 nan 0.000 0.568 73 V N 3.543 123.120 119.914 -0.560 0.000 2.944 73 V HA -0.179 3.941 4.120 -0.000 0.000 0.265 73 V C 1.596 177.554 176.094 -0.227 0.000 1.125 73 V CA 2.264 64.084 62.300 -0.801 0.000 1.145 73 V CB -0.223 30.888 31.823 -1.187 0.000 0.725 73 V HN 0.541 nan 8.190 nan 0.000 0.510 74 D N -1.080 119.453 120.400 0.223 0.000 2.367 74 D HA 0.177 4.816 4.640 -0.000 0.000 0.207 74 D C 1.695 177.902 176.300 -0.155 0.000 1.034 74 D CA 0.519 54.495 54.000 -0.041 0.000 0.861 74 D CB 0.597 41.368 40.800 -0.048 0.000 0.943 74 D HN 0.381 nan 8.370 nan 0.000 0.515 75 L N -0.635 120.459 121.223 -0.215 0.000 2.685 75 L HA 0.359 4.699 4.340 -0.000 0.000 0.235 75 L C 2.152 178.954 176.870 -0.113 0.000 1.070 75 L CA 0.130 54.849 54.840 -0.201 0.000 0.888 75 L CB -0.224 41.641 42.059 -0.324 0.000 1.203 75 L HN -0.164 nan 8.230 nan 0.000 0.499 76 A N 1.775 124.526 122.820 -0.116 0.000 2.182 76 A HA -0.373 3.946 4.320 -0.000 0.000 0.235 76 A C 2.029 179.726 177.584 0.188 0.000 1.757 76 A CA 2.513 54.540 52.037 -0.017 0.000 0.923 76 A CB -1.484 17.585 19.000 0.115 0.000 0.784 76 A HN 0.372 nan 8.150 nan 0.000 0.514 77 F N 0.018 120.035 119.950 0.112 0.000 2.039 77 F HA -0.314 4.212 4.527 -0.001 0.000 0.296 77 F C 2.798 178.651 175.800 0.089 0.000 1.119 77 F CA 1.814 59.884 58.000 0.115 0.000 1.211 77 F CB -0.378 38.693 39.000 0.119 0.000 0.956 77 F HN 0.421 nan 8.300 nan 0.000 0.496 78 A N -0.715 122.257 122.820 0.253 0.000 1.892 78 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 78 A C 2.164 179.836 177.584 0.146 0.000 1.188 78 A CA 2.276 54.374 52.037 0.102 0.000 0.631 78 A CB -1.498 17.515 19.000 0.021 0.000 0.822 78 A HN 0.538 nan 8.150 nan 0.000 0.447 79 S N -0.760 114.995 115.700 0.092 0.000 2.369 79 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 79 S C 1.905 176.642 174.600 0.229 0.000 1.043 79 S CA 2.100 60.339 58.200 0.065 0.000 1.074 79 S CB -0.823 62.301 63.200 -0.126 0.000 0.962 79 S HN 0.380 nan 8.310 nan 0.000 0.433 80 V N 1.731 121.825 119.914 0.299 0.000 2.215 80 V HA -0.227 3.892 4.120 -0.000 0.000 0.249 80 V C 2.629 178.876 176.094 0.256 0.000 1.054 80 V CA 2.605 65.086 62.300 0.302 0.000 1.012 80 V CB -1.179 30.833 31.823 0.315 0.000 0.639 80 V HN 0.496 nan 8.190 nan 0.000 0.448 81 E N -0.433 119.935 120.200 0.280 0.000 2.072 81 E HA -0.292 4.058 4.350 -0.000 0.000 0.218 81 E C 2.189 178.880 176.600 0.152 0.000 1.051 81 E CA 2.055 58.571 56.400 0.194 0.000 0.880 81 E CB -0.825 28.937 29.700 0.103 0.000 0.783 81 E HN 0.730 nan 8.360 nan 0.000 0.473 82 H N 0.068 119.182 119.070 0.074 0.000 2.272 82 H HA -0.243 4.313 4.556 -0.000 0.000 0.289 82 H C 2.326 177.680 175.328 0.043 0.000 1.100 82 H CA 2.306 58.384 56.048 0.049 0.000 1.209 82 H CB -0.615 29.171 29.762 0.039 0.000 1.348 82 H HN 0.196 nan 8.280 nan 0.000 0.481 83 I N 1.053 121.740 120.570 0.194 0.000 2.068 83 I HA -0.304 3.866 4.170 -0.000 0.000 0.238 83 I C 2.519 178.615 176.117 -0.035 0.000 1.046 83 I CA 1.811 63.160 61.300 0.082 0.000 1.306 83 I CB -0.306 37.787 38.000 0.155 0.000 1.023 83 I HN 0.313 nan 8.210 nan 0.000 0.399 84 M N 0.662 120.292 119.600 0.051 0.000 3.607 84 M HA 0.136 4.615 4.480 -0.000 0.000 0.206 84 M C 0.713 177.098 176.300 0.141 0.000 1.314 84 M CA 0.534 55.897 55.300 0.105 0.000 1.526 84 M CB -0.534 32.147 32.600 0.134 0.000 1.101 84 M HN 0.289 nan 8.290 nan 0.000 0.539 85 R N -1.087 119.444 120.500 0.051 0.000 2.333 85 R HA 0.024 4.364 4.340 -0.000 0.000 0.082 85 R C -0.586 175.672 176.300 -0.070 0.000 0.528 85 R CA 0.246 56.367 56.100 0.035 0.000 0.877 85 R CB 0.354 30.679 30.300 0.042 0.000 1.050 85 R HN 0.413 nan 8.270 nan 0.000 0.526 86 D N -0.091 120.190 120.400 -0.197 0.000 2.411 86 D HA 0.136 4.776 4.640 -0.000 0.000 0.374 86 D C -0.791 175.340 176.300 -0.281 0.000 1.187 86 D CA 0.297 54.127 54.000 -0.282 0.000 0.928 86 D CB 1.708 42.216 40.800 -0.486 0.000 1.402 86 D HN -0.060 nan 8.370 nan 0.000 0.478 87 V N 3.041 122.792 119.914 -0.272 0.000 2.370 87 V HA 0.176 4.296 4.120 -0.000 0.000 0.283 87 V C -0.113 175.917 176.094 -0.107 0.000 1.023 87 V CA -0.942 61.206 62.300 -0.254 0.000 0.857 87 V CB 1.202 32.735 31.823 -0.484 0.000 0.985 87 V HN 0.103 nan 8.190 nan 0.000 0.443 88 N N 3.971 122.647 118.700 -0.040 0.000 2.526 88 N HA 0.304 5.044 4.740 -0.000 0.000 0.302 88 N C 0.819 176.336 175.510 0.012 0.000 1.232 88 N CA 0.623 53.697 53.050 0.040 0.000 1.127 88 N CB 0.155 38.674 38.487 0.052 0.000 1.476 88 N HN 0.962 nan 8.380 nan 0.000 0.498 89 G N -1.038 107.742 108.800 -0.033 0.000 3.897 89 G HA2 0.080 4.040 3.960 -0.000 0.000 0.207 89 G HA3 0.080 4.040 3.960 -0.000 0.000 0.207 89 G C 0.827 175.473 174.900 -0.423 0.000 0.872 89 G CA 0.087 45.069 45.100 -0.197 0.000 0.872 89 G HN 0.717 nan 8.290 nan 0.000 0.442 90 G N 1.923 110.598 108.800 -0.208 0.000 3.475 90 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.670 90 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.670 90 G C 1.669 176.387 174.900 -0.303 0.000 0.911 90 G CA 2.805 47.828 45.100 -0.129 0.000 0.746 90 G HN 1.151 nan 8.290 nan 0.000 1.236 91 W N 0.944 122.337 121.300 0.155 0.000 2.231 91 W HA -0.206 4.454 4.660 -0.000 0.000 0.315 91 W C 2.343 179.078 176.519 0.359 0.000 1.283 91 W CA 2.596 60.181 57.345 0.400 0.000 1.303 91 W CB -1.839 27.792 29.460 0.285 0.000 1.124 91 W HN 0.668 nan 8.180 nan 0.000 0.516 92 A N 2.124 123.784 122.820 -1.933 0.000 1.952 92 A HA -0.249 4.071 4.320 -0.000 0.000 0.206 92 A C 2.220 179.448 177.584 -0.593 0.000 1.213 92 A CA 3.024 54.091 52.037 -1.617 0.000 0.690 92 A CB -1.203 16.933 19.000 -1.440 0.000 0.854 92 A HN 0.174 nan 8.150 nan 0.000 0.485 93 M N -0.838 118.496 119.600 -0.443 0.000 2.894 93 M HA -0.256 4.224 4.480 -0.000 0.000 0.268 93 M C 2.168 178.403 176.300 -0.108 0.000 1.054 93 M CA 2.283 57.469 55.300 -0.191 0.000 1.062 93 M CB -1.817 30.699 32.600 -0.140 0.000 1.242 93 M HN 0.593 nan 8.290 nan 0.000 0.508 94 R N -0.032 120.390 120.500 -0.131 0.000 2.179 94 R HA -0.236 4.103 4.340 -0.000 0.000 0.238 94 R C 2.217 178.463 176.300 -0.090 0.000 1.119 94 R CA 2.510 58.531 56.100 -0.132 0.000 0.915 94 R CB -1.415 28.776 30.300 -0.182 0.000 0.870 94 R HN 0.520 nan 8.270 nan 0.000 0.432 95 Y N 0.696 120.975 120.300 -0.036 0.000 2.069 95 Y HA -0.273 4.276 4.550 -0.001 0.000 0.278 95 Y C 2.552 178.450 175.900 -0.004 0.000 1.175 95 Y CA 2.111 60.208 58.100 -0.005 0.000 1.134 95 Y CB -0.438 38.022 38.460 0.000 0.000 0.965 95 Y HN 0.133 nan 8.280 nan 0.000 0.498 96 I N -0.948 119.676 120.570 0.091 0.000 2.069 96 I HA -0.435 3.735 4.170 -0.000 0.000 0.237 96 I C 2.370 178.629 176.117 0.236 0.000 1.053 96 I CA 2.150 63.522 61.300 0.120 0.000 1.311 96 I CB -0.839 37.157 38.000 -0.006 0.000 1.030 96 I HN 0.281 nan 8.210 nan 0.000 0.398 97 H N 0.721 119.820 119.070 0.049 0.000 2.265 97 H HA -0.269 4.287 4.556 -0.000 0.000 0.293 97 H C 2.222 177.596 175.328 0.077 0.000 1.089 97 H CA 2.478 58.547 56.048 0.036 0.000 1.244 97 H CB -0.111 29.638 29.762 -0.022 0.000 1.355 97 H HN 0.389 nan 8.280 nan 0.000 0.485 98 A N 0.213 123.180 122.820 0.245 0.000 1.865 98 A HA -0.282 4.037 4.320 -0.000 0.000 0.217 98 A C 2.227 179.929 177.584 0.196 0.000 1.191 98 A CA 2.149 54.298 52.037 0.186 0.000 0.623 98 A CB -0.907 18.149 19.000 0.093 0.000 0.826 98 A HN 0.706 nan 8.150 nan 0.000 0.444 99 N N -0.165 118.677 118.700 0.236 0.000 2.069 99 N HA -0.054 4.686 4.740 -0.000 0.000 0.191 99 N C 1.862 177.663 175.510 0.486 0.000 1.031 99 N CA 1.420 54.661 53.050 0.319 0.000 0.852 99 N CB -0.520 38.094 38.487 0.211 0.000 1.018 99 N HN 0.485 nan 8.380 nan 0.000 0.423 100 G N 0.867 109.963 108.800 0.493 0.000 2.599 100 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.219 100 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.219 100 G C 1.582 176.602 174.900 0.199 0.000 1.193 100 G CA 1.512 46.737 45.100 0.209 0.000 0.778 100 G HN 0.447 nan 8.290 nan 0.000 0.589 101 A N 0.346 123.241 122.820 0.124 0.000 1.863 101 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 101 A C 2.673 180.503 177.584 0.409 0.000 1.233 101 A CA 3.132 55.270 52.037 0.168 0.000 0.655 101 A CB -1.341 17.757 19.000 0.163 0.000 0.839 101 A HN 0.515 nan 8.150 nan 0.000 0.454 102 S N -0.788 115.116 115.700 0.341 0.000 2.387 102 S HA -0.179 4.291 4.470 -0.000 0.000 0.230 102 S C 1.920 176.864 174.600 0.573 0.000 1.035 102 S CA 1.750 60.191 58.200 0.401 0.000 1.014 102 S CB -0.700 62.685 63.200 0.309 0.000 0.836 102 S HN 0.792 nan 8.310 nan 0.000 0.466 103 L N 1.020 122.513 121.223 0.451 0.000 1.976 103 L HA 0.003 4.343 4.340 -0.000 0.000 0.209 103 L C 1.899 178.972 176.870 0.339 0.000 1.071 103 L CA 2.400 57.456 54.840 0.360 0.000 0.746 103 L CB -1.684 40.532 42.059 0.262 0.000 0.890 103 L HN 0.339 nan 8.230 nan 0.000 0.432 104 F N 0.076 120.101 119.950 0.125 0.000 2.045 104 F HA -0.324 4.203 4.527 -0.000 0.000 0.297 104 F C 2.164 178.015 175.800 0.085 0.000 1.114 104 F CA 1.977 59.998 58.000 0.036 0.000 1.207 104 F CB -1.079 37.937 39.000 0.026 0.000 0.964 104 F HN 0.180 nan 8.300 nan 0.000 0.486 105 F N 0.063 120.437 119.950 0.706 0.000 2.065 105 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 105 F C 2.339 178.456 175.800 0.530 0.000 1.112 105 F CA 1.963 60.344 58.000 0.635 0.000 1.212 105 F CB -1.084 38.365 39.000 0.749 0.000 0.975 105 F HN 0.157 nan 8.300 nan 0.000 0.476 106 L N 0.529 122.158 121.223 0.676 0.000 1.971 106 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 106 L C 2.399 179.299 176.870 0.051 0.000 1.072 106 L CA 2.262 57.382 54.840 0.467 0.000 0.758 106 L CB -1.566 40.690 42.059 0.328 0.000 0.889 106 L HN 0.119 nan 8.230 nan 0.000 0.433 107 A N -0.741 121.957 122.820 -0.202 0.000 1.859 107 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 107 A C 2.292 179.490 177.584 -0.642 0.000 1.209 107 A CA 2.962 54.567 52.037 -0.720 0.000 0.639 107 A CB -1.496 17.114 19.000 -0.650 0.000 0.835 107 A HN 0.375 nan 8.150 nan 0.000 0.450 108 V N -1.411 118.207 119.914 -0.494 0.000 2.222 108 V HA -0.392 3.728 4.120 -0.000 0.000 0.252 108 V C 2.301 178.161 176.094 -0.390 0.000 1.060 108 V CA 2.608 64.593 62.300 -0.525 0.000 1.027 108 V CB -1.190 30.296 31.823 -0.563 0.000 0.644 108 V HN 0.673 nan 8.190 nan 0.000 0.448 109 Y N -0.211 119.952 120.300 -0.229 0.000 2.062 109 Y HA -0.342 4.207 4.550 -0.001 0.000 0.273 109 Y C 2.297 178.100 175.900 -0.162 0.000 1.206 109 Y CA 2.469 60.479 58.100 -0.151 0.000 1.125 109 Y CB -0.536 37.940 38.460 0.027 0.000 0.951 109 Y HN 0.202 nan 8.280 nan 0.000 0.501 110 I N -1.255 119.246 120.570 -0.115 0.000 2.076 110 I HA -0.421 3.749 4.170 -0.000 0.000 0.237 110 I C 2.367 178.398 176.117 -0.144 0.000 1.059 110 I CA 2.038 63.211 61.300 -0.212 0.000 1.317 110 I CB -0.874 36.820 38.000 -0.511 0.000 1.037 110 I HN 0.296 nan 8.210 nan 0.000 0.398 111 H N 1.362 120.164 119.070 -0.447 0.000 2.278 111 H HA -0.266 4.290 4.556 -0.000 0.000 0.287 111 H C 2.152 177.432 175.328 -0.081 0.000 1.107 111 H CA 2.838 58.774 56.048 -0.186 0.000 1.192 111 H CB -0.002 29.606 29.762 -0.257 0.000 1.346 111 H HN 0.162 nan 8.280 nan 0.000 0.478 112 I N -0.181 120.411 120.570 0.037 0.000 2.068 112 I HA -0.337 3.833 4.170 -0.000 0.000 0.238 112 I C 2.418 178.573 176.117 0.064 0.000 1.046 112 I CA 1.717 62.996 61.300 -0.035 0.000 1.306 112 I CB -1.714 36.096 38.000 -0.318 0.000 1.023 112 I HN 0.293 nan 8.210 nan 0.000 0.399 113 F N 0.888 120.831 119.950 -0.012 0.000 2.161 113 F HA -0.233 4.293 4.527 -0.001 0.000 0.300 113 F C 2.794 178.726 175.800 0.220 0.000 1.089 113 F CA 1.490 59.530 58.000 0.068 0.000 1.282 113 F CB -0.328 38.617 39.000 -0.091 0.000 1.010 113 F HN 0.070 nan 8.300 nan 0.000 0.485 114 R N 1.192 121.826 120.500 0.224 0.000 2.088 114 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 114 R C 2.422 178.820 176.300 0.162 0.000 1.136 114 R CA 1.924 58.064 56.100 0.067 0.000 0.926 114 R CB -1.607 28.568 30.300 -0.208 0.000 0.837 114 R HN 0.347 nan 8.270 nan 0.000 0.429 115 G N 2.352 111.217 108.800 0.109 0.000 2.469 115 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.220 115 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.220 115 G C 1.553 176.707 174.900 0.423 0.000 1.136 115 G CA 0.691 45.930 45.100 0.230 0.000 0.759 115 G HN 0.312 nan 8.290 nan 0.000 0.562 116 L N -0.573 120.938 121.223 0.479 0.000 2.042 116 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 116 L C 2.435 179.861 176.870 0.926 0.000 1.076 116 L CA 1.894 57.072 54.840 0.564 0.000 0.749 116 L CB -1.014 41.309 42.059 0.441 0.000 0.893 116 L HN 0.374 nan 8.230 nan 0.000 0.432 117 Y N -0.167 120.573 120.300 0.733 0.000 2.206 117 Y HA -0.158 4.392 4.550 -0.001 0.000 0.292 117 Y C 1.527 177.808 175.900 0.634 0.000 1.123 117 Y CA 0.949 59.342 58.100 0.489 0.000 1.142 117 Y CB -0.712 37.660 38.460 -0.148 0.000 1.006 117 Y HN 0.175 nan 8.280 nan 0.000 0.518 118 Y N 0.700 121.128 120.300 0.213 0.000 2.976 118 Y HA 0.201 4.751 4.550 -0.000 0.000 0.389 118 Y C 1.735 177.649 175.900 0.023 0.000 1.072 118 Y CA -0.354 57.764 58.100 0.030 0.000 1.809 118 Y CB -0.490 38.134 38.460 0.274 0.000 1.736 118 Y HN 0.402 nan 8.280 nan 0.000 0.471 119 G N -0.044 108.804 108.800 0.080 0.000 2.271 119 G HA2 -0.449 3.510 3.960 -0.000 0.000 0.277 119 G HA3 -0.449 3.510 3.960 -0.000 0.000 0.277 119 G C 1.325 176.082 174.900 -0.238 0.000 1.004 119 G CA 1.058 45.995 45.100 -0.272 0.000 0.679 119 G HN 0.554 nan 8.290 nan 0.000 0.540 120 S N -0.442 115.300 115.700 0.070 0.000 2.428 120 S HA -0.277 4.193 4.470 -0.000 0.000 0.240 120 S C 1.858 176.486 174.600 0.047 0.000 1.036 120 S CA 2.210 60.481 58.200 0.118 0.000 1.009 120 S CB -0.468 62.852 63.200 0.199 0.000 0.803 120 S HN 1.050 nan 8.310 nan 0.000 0.486 121 Y N 0.992 121.186 120.300 -0.178 0.000 2.206 121 Y HA 0.328 4.878 4.550 -0.001 0.000 0.292 121 Y C 0.917 176.633 175.900 -0.308 0.000 1.123 121 Y CA -0.181 57.613 58.100 -0.511 0.000 1.142 121 Y CB -0.742 36.909 38.460 -1.348 0.000 1.006 121 Y HN -0.112 nan 8.280 nan 0.000 0.518 122 K N 1.516 121.305 120.400 -1.018 0.000 2.443 122 K HA 0.096 4.416 4.320 -0.000 0.000 0.268 122 K C 0.505 176.957 176.600 -0.246 0.000 0.971 122 K CA 0.214 56.120 56.287 -0.635 0.000 0.902 122 K CB -0.038 32.026 32.500 -0.727 0.000 0.950 122 K HN 0.499 nan 8.250 nan 0.000 0.525 123 A N 2.513 125.235 122.820 -0.163 0.000 2.586 123 A HA 0.026 4.346 4.320 -0.000 0.000 0.231 123 A C -1.711 175.826 177.584 -0.078 0.000 1.055 123 A CA -0.333 51.648 52.037 -0.093 0.000 0.756 123 A CB -0.201 18.737 19.000 -0.103 0.000 0.988 123 A HN 0.576 nan 8.150 nan 0.000 0.509 124 P HA 0.291 nan 4.420 nan 0.000 0.263 124 P C -0.174 177.152 177.300 0.043 0.000 1.821 124 P CA -0.147 62.948 63.100 -0.009 0.000 1.186 124 P CB 0.230 31.920 31.700 -0.017 0.000 1.623 125 R N -0.102 120.439 120.500 0.070 0.000 2.466 125 R HA 0.153 4.493 4.340 -0.000 0.000 0.279 125 R C 1.263 177.707 176.300 0.239 0.000 0.976 125 R CA 0.035 56.222 56.100 0.145 0.000 1.081 125 R CB 0.017 30.406 30.300 0.149 0.000 1.215 125 R HN 0.098 nan 8.270 nan 0.000 0.546 126 E N 0.981 121.318 120.200 0.229 0.000 2.070 126 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 126 E C 1.506 178.354 176.600 0.412 0.000 1.004 126 E CA 1.245 57.864 56.400 0.366 0.000 0.805 126 E CB -0.041 29.883 29.700 0.373 0.000 0.744 126 E HN 0.158 nan 8.360 nan 0.000 0.451 127 I N 1.129 121.876 120.570 0.296 0.000 2.142 127 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 127 I C 2.703 178.998 176.117 0.297 0.000 1.078 127 I CA 2.077 63.535 61.300 0.264 0.000 1.343 127 I CB -1.803 36.307 38.000 0.184 0.000 1.046 127 I HN 0.339 nan 8.210 nan 0.000 0.405 128 T N -0.489 114.245 114.554 0.300 0.000 2.635 128 T HA -0.309 4.040 4.350 -0.000 0.000 0.267 128 T C 1.978 176.956 174.700 0.463 0.000 1.040 128 T CA 1.692 63.996 62.100 0.339 0.000 1.156 128 T CB -1.051 67.973 68.868 0.261 0.000 0.863 128 T HN 0.558 nan 8.240 nan 0.000 0.430 129 W N 1.710 123.160 121.300 0.251 0.000 2.317 129 W HA -0.197 4.463 4.660 0.000 0.000 0.318 129 W C 1.885 178.517 176.519 0.188 0.000 1.227 129 W CA 1.200 58.690 57.345 0.241 0.000 1.269 129 W CB -0.330 29.276 29.460 0.242 0.000 1.155 129 W HN 0.226 nan 8.180 nan 0.000 0.484 130 I N 0.880 121.623 120.570 0.288 0.000 2.127 130 I HA -0.281 3.888 4.170 -0.000 0.000 0.241 130 I C 2.596 178.718 176.117 0.007 0.000 1.075 130 I CA 1.146 62.491 61.300 0.075 0.000 1.334 130 I CB -1.880 36.223 38.000 0.173 0.000 1.040 130 I HN -0.126 nan 8.210 nan 0.000 0.405 131 V N 1.540 121.525 119.914 0.118 0.000 2.277 131 V HA -0.323 3.797 4.120 -0.000 0.000 0.253 131 V C 2.645 178.729 176.094 -0.017 0.000 1.067 131 V CA 2.309 64.669 62.300 0.100 0.000 1.047 131 V CB -1.511 30.450 31.823 0.230 0.000 0.649 131 V HN 0.581 nan 8.190 nan 0.000 0.447 132 G N -0.930 107.862 108.800 -0.013 0.000 2.587 132 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.217 132 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.217 132 G C 1.474 176.188 174.900 -0.310 0.000 1.240 132 G CA 1.396 46.355 45.100 -0.235 0.000 0.794 132 G HN 0.300 nan 8.290 nan 0.000 0.580 133 M N 0.199 119.535 119.600 -0.439 0.000 2.147 133 M HA -0.157 4.323 4.480 -0.000 0.000 0.253 133 M C 2.774 178.974 176.300 -0.166 0.000 1.075 133 M CA 1.077 56.166 55.300 -0.352 0.000 1.085 133 M CB -1.510 30.869 32.600 -0.368 0.000 1.305 133 M HN 0.126 nan 8.290 nan 0.000 0.409 134 V N 0.555 120.380 119.914 -0.148 0.000 2.219 134 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 134 V C 2.548 178.575 176.094 -0.113 0.000 1.053 134 V CA 1.782 64.015 62.300 -0.111 0.000 1.009 134 V CB -0.586 31.196 31.823 -0.069 0.000 0.636 134 V HN 0.357 nan 8.190 nan 0.000 0.445 135 I N -0.754 119.744 120.570 -0.121 0.000 2.113 135 I HA -0.367 3.803 4.170 -0.000 0.000 0.242 135 I C 2.389 178.443 176.117 -0.105 0.000 1.057 135 I CA 2.690 63.913 61.300 -0.128 0.000 1.314 135 I CB -1.060 36.813 38.000 -0.212 0.000 1.022 135 I HN 0.470 nan 8.210 nan 0.000 0.408 136 Y N 1.681 121.804 120.300 -0.295 0.000 1.993 136 Y HA -0.299 4.251 4.550 -0.000 0.000 0.267 136 Y C 2.634 178.374 175.900 -0.265 0.000 1.155 136 Y CA 1.742 59.645 58.100 -0.329 0.000 1.105 136 Y CB -0.952 37.280 38.460 -0.380 0.000 0.960 136 Y HN 0.021 nan 8.280 nan 0.000 0.486 137 L N -0.484 120.547 121.223 -0.320 0.000 1.991 137 L HA -0.361 3.978 4.340 -0.000 0.000 0.221 137 L C 2.701 179.378 176.870 -0.321 0.000 1.079 137 L CA 1.943 56.513 54.840 -0.449 0.000 0.778 137 L CB -1.054 40.813 42.059 -0.320 0.000 0.893 137 L HN 0.405 nan 8.230 nan 0.000 0.437 138 L N -1.022 120.082 121.223 -0.198 0.000 1.978 138 L HA -0.330 4.010 4.340 -0.000 0.000 0.218 138 L C 2.698 179.491 176.870 -0.128 0.000 1.075 138 L CA 2.048 56.811 54.840 -0.129 0.000 0.767 138 L CB -0.617 41.391 42.059 -0.086 0.000 0.890 138 L HN 0.386 nan 8.230 nan 0.000 0.434 139 M N -1.284 118.234 119.600 -0.136 0.000 2.115 139 M HA -0.321 4.159 4.480 -0.000 0.000 0.258 139 M C 2.420 178.686 176.300 -0.056 0.000 1.071 139 M CA 1.947 57.178 55.300 -0.114 0.000 1.100 139 M CB -0.439 32.104 32.600 -0.094 0.000 1.292 139 M HN 0.210 nan 8.290 nan 0.000 0.415 140 M N -0.092 119.427 119.600 -0.135 0.000 2.147 140 M HA -0.259 4.221 4.480 -0.000 0.000 0.253 140 M C 2.289 178.514 176.300 -0.125 0.000 1.075 140 M CA 2.252 57.463 55.300 -0.149 0.000 1.085 140 M CB -1.540 30.711 32.600 -0.581 0.000 1.305 140 M HN 0.591 nan 8.290 nan 0.000 0.409 141 G N -0.518 108.207 108.800 -0.124 0.000 2.480 141 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 141 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 141 G C 1.331 176.254 174.900 0.039 0.000 1.200 141 G CA 1.667 46.777 45.100 0.017 0.000 0.782 141 G HN 0.437 nan 8.290 nan 0.000 0.554 142 T N 1.785 116.339 114.554 0.000 0.000 2.680 142 T HA -0.173 4.176 4.350 -0.000 0.000 0.268 142 T C 2.651 177.408 174.700 0.096 0.000 1.033 142 T CA 1.945 64.070 62.100 0.043 0.000 1.152 142 T CB -0.498 68.339 68.868 -0.051 0.000 0.859 142 T HN 0.471 nan 8.240 nan 0.000 0.452 143 A N 1.845 124.675 122.820 0.016 0.000 1.821 143 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 143 A C 1.942 179.476 177.584 -0.082 0.000 1.216 143 A CA 1.836 53.851 52.037 -0.038 0.000 0.615 143 A CB -1.337 17.570 19.000 -0.156 0.000 0.862 143 A HN 0.486 nan 8.150 nan 0.000 0.450 144 F N 0.077 119.961 119.950 -0.109 0.000 2.032 144 F HA -0.323 4.204 4.527 0.001 0.000 0.297 144 F C 2.266 177.884 175.800 -0.303 0.000 1.125 144 F CA 2.761 60.670 58.000 -0.151 0.000 1.202 144 F CB -0.603 38.361 39.000 -0.062 0.000 0.958 144 F HN 0.275 nan 8.300 nan 0.000 0.491 145 M N 0.880 119.697 119.600 -1.305 0.000 2.116 145 M HA -0.232 4.247 4.480 -0.000 0.000 0.255 145 M C 2.303 177.970 176.300 -1.054 0.000 1.075 145 M CA 2.291 56.631 55.300 -1.601 0.000 1.087 145 M CB -1.548 30.676 32.600 -0.626 0.000 1.340 145 M HN 0.507 nan 8.290 nan 0.000 0.402 146 G N -1.857 106.445 108.800 -0.831 0.000 2.394 146 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.214 146 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.214 146 G C 1.196 175.639 174.900 -0.761 0.000 1.176 146 G CA 0.511 44.694 45.100 -1.528 0.000 0.786 146 G HN 0.576 nan 8.290 nan 0.000 0.533 147 Y N 1.616 121.565 120.300 -0.585 0.000 2.651 147 Y HA -0.070 4.479 4.550 -0.000 0.000 0.293 147 Y C 2.329 177.991 175.900 -0.396 0.000 1.151 147 Y CA 0.727 58.593 58.100 -0.390 0.000 1.362 147 Y CB 0.087 38.377 38.460 -0.284 0.000 0.973 147 Y HN 0.053 nan 8.280 nan 0.000 0.561 148 V N -0.902 118.677 119.914 -0.557 0.000 2.951 148 V HA -0.199 3.921 4.120 -0.000 0.000 0.255 148 V C 2.087 178.054 176.094 -0.212 0.000 1.088 148 V CA 0.848 62.867 62.300 -0.469 0.000 1.109 148 V CB -0.552 30.963 31.823 -0.514 0.000 0.724 148 V HN 0.262 nan 8.190 nan 0.000 0.471 149 L N 1.117 122.232 121.223 -0.180 0.000 2.129 149 L HA -0.133 4.206 4.340 -0.000 0.000 0.212 149 L C 0.444 177.403 176.870 0.149 0.000 1.087 149 L CA 2.240 57.113 54.840 0.054 0.000 0.757 149 L CB -1.987 39.974 42.059 -0.165 0.000 0.896 149 L HN 0.367 nan 8.230 nan 0.000 0.434 150 P HA -0.286 nan 4.420 nan 0.000 0.220 150 P C 0.490 177.766 177.300 -0.040 0.000 1.148 150 P CA 1.133 64.155 63.100 -0.130 0.000 0.803 150 P CB -0.071 31.375 31.700 -0.422 0.000 0.782 151 W N -0.205 120.944 121.300 -0.252 0.000 4.148 151 W HA -0.113 4.548 4.660 0.001 0.000 0.370 151 W C -0.447 175.913 176.519 -0.266 0.000 1.423 151 W CA 0.283 57.528 57.345 -0.167 0.000 0.769 151 W CB -1.633 27.793 29.460 -0.057 0.000 2.559 151 W HN -0.017 nan 8.180 nan 0.000 1.292 152 G N 1.483 109.996 108.800 -0.477 0.000 2.348 152 G HA2 0.316 4.275 3.960 -0.000 0.000 0.312 152 G HA3 0.316 4.275 3.960 -0.000 0.000 0.312 152 G C 0.713 175.437 174.900 -0.293 0.000 1.126 152 G CA -0.022 44.813 45.100 -0.442 0.000 0.865 152 G HN 0.113 nan 8.290 nan 0.000 0.474 153 Q N 0.871 120.591 119.800 -0.133 0.000 2.094 153 Q HA -0.277 4.063 4.340 -0.000 0.000 0.217 153 Q C 2.656 178.725 176.000 0.116 0.000 1.046 153 Q CA 1.860 57.679 55.803 0.028 0.000 0.911 153 Q CB -0.319 28.513 28.738 0.156 0.000 1.038 153 Q HN 0.621 nan 8.270 nan 0.000 0.422 154 M N -0.382 119.263 119.600 0.074 0.000 2.108 154 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 154 M C 2.295 178.600 176.300 0.009 0.000 1.066 154 M CA 1.385 56.750 55.300 0.109 0.000 1.107 154 M CB -1.443 31.251 32.600 0.156 0.000 1.356 154 M HN 0.144 nan 8.290 nan 0.000 0.406 155 S N 0.228 115.770 115.700 -0.264 0.000 2.363 155 S HA -0.172 4.297 4.470 -0.000 0.000 0.218 155 S C 1.742 176.152 174.600 -0.318 0.000 1.035 155 S CA 1.497 59.423 58.200 -0.456 0.000 1.043 155 S CB -0.478 62.351 63.200 -0.619 0.000 0.986 155 S HN 0.386 nan 8.310 nan 0.000 0.423 156 F N 0.774 120.357 119.950 -0.612 0.000 2.007 156 F HA -0.210 4.317 4.527 -0.001 0.000 0.298 156 F C 1.940 177.500 175.800 -0.400 0.000 1.197 156 F CA 2.304 59.849 58.000 -0.759 0.000 1.195 156 F CB -1.155 37.221 39.000 -1.039 0.000 0.951 156 F HN 0.390 nan 8.300 nan 0.000 0.512 157 W N 0.830 122.143 121.300 0.023 0.000 2.279 157 W HA -0.246 4.414 4.660 0.001 0.000 0.298 157 W C 2.536 178.940 176.519 -0.191 0.000 1.228 157 W CA 1.072 58.373 57.345 -0.072 0.000 1.230 157 W CB -1.246 28.269 29.460 0.092 0.000 1.138 157 W HN 0.346 nan 8.180 nan 0.000 0.532 158 G N 0.028 108.874 108.800 0.076 0.000 2.666 158 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 158 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 158 G C 1.621 176.513 174.900 -0.013 0.000 1.294 158 G CA 2.078 47.209 45.100 0.051 0.000 0.811 158 G HN 0.365 nan 8.290 nan 0.000 0.594 159 A N -0.109 122.737 122.820 0.042 0.000 1.916 159 A HA -0.290 4.030 4.320 -0.000 0.000 0.224 159 A C 2.485 180.027 177.584 -0.070 0.000 1.366 159 A CA 3.428 55.562 52.037 0.163 0.000 0.692 159 A CB -1.598 17.439 19.000 0.062 0.000 0.841 159 A HN 0.430 nan 8.150 nan 0.000 0.480 160 T N -0.957 113.397 114.554 -0.335 0.000 2.529 160 T HA -0.208 4.141 4.350 -0.000 0.000 0.261 160 T C 1.843 176.466 174.700 -0.128 0.000 1.110 160 T CA 2.129 64.051 62.100 -0.296 0.000 1.192 160 T CB -1.057 67.574 68.868 -0.396 0.000 0.864 160 T HN 0.548 nan 8.240 nan 0.000 0.407 161 V N 0.981 120.864 119.914 -0.053 0.000 2.546 161 V HA -0.165 3.955 4.120 -0.000 0.000 0.254 161 V C 2.129 178.125 176.094 -0.163 0.000 1.076 161 V CA 1.570 63.827 62.300 -0.072 0.000 1.087 161 V CB -0.628 31.168 31.823 -0.046 0.000 0.674 161 V HN 0.508 nan 8.190 nan 0.000 0.470 162 I N 0.452 120.884 120.570 -0.229 0.000 2.162 162 I HA -0.182 3.987 4.170 -0.000 0.000 0.238 162 I C 2.805 178.665 176.117 -0.429 0.000 1.076 162 I CA 1.942 63.000 61.300 -0.404 0.000 1.353 162 I CB -0.671 36.849 38.000 -0.800 0.000 1.063 162 I HN 0.542 nan 8.210 nan 0.000 0.408 163 T N -0.727 113.613 114.554 -0.356 0.000 2.699 163 T HA -0.188 4.161 4.350 -0.000 0.000 0.268 163 T C 2.074 176.573 174.700 -0.335 0.000 1.036 163 T CA 1.407 63.245 62.100 -0.436 0.000 1.147 163 T CB -1.483 67.249 68.868 -0.228 0.000 0.862 163 T HN 0.452 nan 8.240 nan 0.000 0.446 164 G N 2.255 110.934 108.800 -0.201 0.000 2.597 164 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.222 164 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.222 164 G C 1.525 176.356 174.900 -0.114 0.000 1.135 164 G CA 1.402 46.428 45.100 -0.124 0.000 0.759 164 G HN 0.585 nan 8.290 nan 0.000 0.595 165 L N -0.460 120.669 121.223 -0.156 0.000 2.010 165 L HA -0.184 4.155 4.340 -0.000 0.000 0.219 165 L C 2.843 179.726 176.870 0.022 0.000 1.077 165 L CA 1.801 56.570 54.840 -0.119 0.000 0.773 165 L CB -0.665 41.330 42.059 -0.107 0.000 0.892 165 L HN 0.295 nan 8.230 nan 0.000 0.436 166 F N -0.450 119.387 119.950 -0.189 0.000 2.126 166 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 166 F C 2.561 178.299 175.800 -0.104 0.000 1.096 166 F CA 0.366 58.279 58.000 -0.144 0.000 1.255 166 F CB -0.973 38.000 39.000 -0.045 0.000 0.997 166 F HN 0.212 nan 8.300 nan 0.000 0.479 167 G N 0.180 109.053 108.800 0.122 0.000 2.549 167 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.222 167 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.222 167 G C 1.720 176.649 174.900 0.048 0.000 1.100 167 G CA 0.855 45.998 45.100 0.071 0.000 0.739 167 G HN 0.452 nan 8.290 nan 0.000 0.577 168 A N 1.084 123.891 122.820 -0.022 0.000 1.902 168 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 168 A C 1.620 179.301 177.584 0.163 0.000 1.181 168 A CA 0.816 52.823 52.037 -0.050 0.000 0.623 168 A CB -0.497 18.293 19.000 -0.350 0.000 0.818 168 A HN 0.774 nan 8.150 nan 0.000 0.443 169 I N -0.069 120.565 120.570 0.107 0.000 2.742 169 I HA 0.168 4.338 4.170 -0.000 0.000 0.287 169 I C -2.306 173.967 176.117 0.260 0.000 1.186 169 I CA -1.701 59.854 61.300 0.425 0.000 1.417 169 I CB -0.048 38.062 38.000 0.182 0.000 1.377 169 I HN 0.064 nan 8.210 nan 0.000 0.556 170 P HA 0.028 nan 4.420 nan 0.000 0.268 170 P C 0.999 178.329 177.300 0.050 0.000 1.208 170 P CA 1.014 64.156 63.100 0.072 0.000 0.777 170 P CB 0.921 32.604 31.700 -0.027 0.000 0.875 171 G N 3.010 111.831 108.800 0.036 0.000 5.218 171 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.342 171 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.342 171 G C 1.009 175.934 174.900 0.042 0.000 1.391 171 G CA 0.699 45.816 45.100 0.028 0.000 1.096 171 G HN 0.570 nan 8.290 nan 0.000 0.831 172 I N 3.192 123.790 120.570 0.046 0.000 2.614 172 I HA 0.242 4.412 4.170 -0.000 0.000 0.258 172 I C 2.515 178.684 176.117 0.087 0.000 1.189 172 I CA 2.102 63.436 61.300 0.057 0.000 1.462 172 I CB -0.704 37.324 38.000 0.047 0.000 1.092 172 I HN 0.594 nan 8.210 nan 0.000 0.442 173 G N 1.332 110.189 108.800 0.094 0.000 2.877 173 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.211 173 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.211 173 G C -0.410 174.561 174.900 0.118 0.000 1.367 173 G CA 1.227 46.395 45.100 0.114 0.000 0.807 173 G HN 0.300 nan 8.290 nan 0.000 0.666 174 P HA -0.210 nan 4.420 nan 0.000 0.220 174 P C 2.363 179.721 177.300 0.097 0.000 1.155 174 P CA 2.539 65.686 63.100 0.078 0.000 0.880 174 P CB -0.263 31.472 31.700 0.058 0.000 0.790 175 S N -0.265 115.494 115.700 0.098 0.000 2.365 175 S HA -0.231 4.239 4.470 -0.000 0.000 0.221 175 S C 1.949 176.662 174.600 0.187 0.000 1.037 175 S CA 1.452 59.719 58.200 0.111 0.000 1.060 175 S CB -1.637 61.611 63.200 0.081 0.000 0.974 175 S HN 0.126 nan 8.310 nan 0.000 0.427 176 I N 1.526 122.227 120.570 0.218 0.000 2.151 176 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 176 I C 2.850 179.163 176.117 0.326 0.000 1.080 176 I CA 1.683 63.195 61.300 0.354 0.000 1.339 176 I CB -0.318 37.877 38.000 0.326 0.000 1.039 176 I HN 0.402 nan 8.210 nan 0.000 0.409 177 Q N 0.405 120.333 119.800 0.212 0.000 1.900 177 Q HA -0.330 4.010 4.340 -0.000 0.000 0.219 177 Q C 2.292 178.335 176.000 0.071 0.000 1.012 177 Q CA 2.592 58.456 55.803 0.100 0.000 0.876 177 Q CB -0.463 28.313 28.738 0.062 0.000 0.952 177 Q HN 0.696 nan 8.270 nan 0.000 0.419 178 A N 0.369 123.241 122.820 0.087 0.000 1.971 178 A HA -0.257 4.062 4.320 -0.000 0.000 0.222 178 A C 1.652 179.317 177.584 0.135 0.000 1.182 178 A CA 1.994 54.079 52.037 0.080 0.000 0.649 178 A CB -1.366 17.685 19.000 0.086 0.000 0.818 178 A HN 0.778 nan 8.150 nan 0.000 0.458 179 W N 0.393 121.702 121.300 0.014 0.000 2.332 179 W HA -0.168 4.491 4.660 -0.001 0.000 0.321 179 W C 1.884 178.401 176.519 -0.003 0.000 1.219 179 W CA 1.670 59.022 57.345 0.012 0.000 1.277 179 W CB -1.127 28.355 29.460 0.037 0.000 1.161 179 W HN 0.277 nan 8.180 nan 0.000 0.476 180 L N 0.229 121.277 121.223 -0.293 0.000 1.951 180 L HA -0.357 3.983 4.340 -0.000 0.000 0.222 180 L C 2.772 179.411 176.870 -0.385 0.000 1.078 180 L CA 2.430 56.963 54.840 -0.512 0.000 0.778 180 L CB -1.265 40.615 42.059 -0.298 0.000 0.893 180 L HN 0.086 nan 8.230 nan 0.000 0.436 181 L N -0.859 120.226 121.223 -0.229 0.000 1.978 181 L HA -0.219 4.121 4.340 -0.000 0.000 0.218 181 L C 1.616 178.372 176.870 -0.190 0.000 1.075 181 L CA 1.534 56.251 54.840 -0.206 0.000 0.767 181 L CB -0.925 41.068 42.059 -0.109 0.000 0.890 181 L HN 0.640 nan 8.230 nan 0.000 0.434 182 G N -1.795 106.946 108.800 -0.098 0.000 2.148 182 G HA2 0.148 4.108 3.960 -0.000 0.000 0.157 182 G HA3 0.148 4.108 3.960 -0.000 0.000 0.157 182 G C 0.232 175.124 174.900 -0.015 0.000 1.012 182 G CA -0.180 44.890 45.100 -0.050 0.000 0.677 182 G HN 0.907 nan 8.290 nan 0.000 0.506 183 G N -0.701 108.097 108.800 -0.003 0.000 2.455 183 G HA2 0.669 4.629 3.960 -0.000 0.000 0.223 183 G HA3 0.669 4.629 3.960 -0.000 0.000 0.223 183 G C -0.996 173.910 174.900 0.009 0.000 1.226 183 G CA 0.698 45.802 45.100 0.007 0.000 0.948 183 G HN 0.485 nan 8.290 nan 0.000 0.478 184 P HA 0.239 nan 4.420 nan 0.000 0.210 184 P C 0.674 177.984 177.300 0.016 0.000 1.185 184 P CA 2.633 65.743 63.100 0.017 0.000 0.924 184 P CB 0.116 31.828 31.700 0.019 0.000 0.786 185 A N -1.582 121.248 122.820 0.016 0.000 2.609 185 A HA 0.496 4.816 4.320 -0.000 0.000 0.291 185 A C -0.607 176.989 177.584 0.019 0.000 1.096 185 A CA -0.542 51.503 52.037 0.013 0.000 0.684 185 A CB 1.121 20.147 19.000 0.043 0.000 1.282 185 A HN 0.027 nan 8.150 nan 0.000 0.412 186 V N 0.058 119.959 119.914 -0.022 0.000 3.050 186 V HA 0.208 4.327 4.120 -0.000 0.000 0.283 186 V C -0.007 176.219 176.094 0.220 0.000 1.384 186 V CA 1.665 63.963 62.300 -0.003 0.000 1.419 186 V CB -1.430 30.202 31.823 -0.319 0.000 0.820 186 V HN 1.149 nan 8.190 nan 0.000 0.463 187 D N 1.895 122.426 120.400 0.218 0.000 2.827 187 D HA 0.193 4.833 4.640 -0.000 0.000 0.336 187 D C 0.689 176.958 176.300 -0.052 0.000 1.374 187 D CA -0.128 53.989 54.000 0.196 0.000 0.794 187 D CB 0.861 41.694 40.800 0.055 0.000 1.364 187 D HN 0.459 nan 8.370 nan 0.000 0.464 188 N N 0.018 118.541 118.700 -0.295 0.000 2.161 188 N HA -0.377 4.363 4.740 -0.000 0.000 0.199 188 N C 1.642 176.975 175.510 -0.295 0.000 0.990 188 N CA 3.226 55.998 53.050 -0.463 0.000 0.902 188 N CB -0.157 38.029 38.487 -0.502 0.000 1.074 188 N HN 0.389 nan 8.380 nan 0.000 0.556 189 A N -0.863 121.830 122.820 -0.212 0.000 1.852 189 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 189 A C 2.395 179.852 177.584 -0.212 0.000 1.215 189 A CA 2.984 54.917 52.037 -0.173 0.000 0.641 189 A CB -1.833 17.087 19.000 -0.134 0.000 0.838 189 A HN 0.552 nan 8.150 nan 0.000 0.450 190 T N -0.661 113.746 114.554 -0.245 0.000 2.649 190 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 190 T C 1.765 176.163 174.700 -0.504 0.000 1.036 190 T CA 1.926 63.737 62.100 -0.482 0.000 1.157 190 T CB -0.592 68.046 68.868 -0.384 0.000 0.861 190 T HN 0.411 nan 8.240 nan 0.000 0.445 191 L N 1.018 122.178 121.223 -0.105 0.000 1.944 191 L HA -0.185 4.155 4.340 -0.000 0.000 0.218 191 L C 2.635 179.553 176.870 0.080 0.000 1.075 191 L CA 2.278 57.189 54.840 0.117 0.000 0.767 191 L CB -0.740 41.296 42.059 -0.038 0.000 0.890 191 L HN 0.304 nan 8.230 nan 0.000 0.434 192 N N -0.094 118.597 118.700 -0.016 0.000 2.091 192 N HA -0.248 4.492 4.740 -0.000 0.000 0.193 192 N C 1.853 177.434 175.510 0.119 0.000 1.021 192 N CA 1.683 54.774 53.050 0.069 0.000 0.862 192 N CB -0.178 38.291 38.487 -0.030 0.000 1.018 192 N HN 0.357 nan 8.380 nan 0.000 0.429 193 R N 0.328 120.802 120.500 -0.043 0.000 2.103 193 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 193 R C 2.237 178.588 176.300 0.085 0.000 1.132 193 R CA 1.011 57.068 56.100 -0.071 0.000 0.925 193 R CB -1.596 28.527 30.300 -0.296 0.000 0.842 193 R HN 0.248 nan 8.270 nan 0.000 0.430 194 F N 0.984 120.939 119.950 0.007 0.000 2.027 194 F HA -0.232 4.294 4.527 -0.001 0.000 0.297 194 F C 2.496 178.341 175.800 0.076 0.000 1.129 194 F CA 0.783 58.771 58.000 -0.021 0.000 1.195 194 F CB -1.631 37.314 39.000 -0.091 0.000 0.960 194 F HN -0.022 nan 8.300 nan 0.000 0.485 195 F N 1.251 121.350 119.950 0.248 0.000 2.048 195 F HA -0.415 4.111 4.527 -0.002 0.000 0.296 195 F C 2.852 178.788 175.800 0.228 0.000 1.109 195 F CA 2.935 61.072 58.000 0.229 0.000 1.214 195 F CB -0.694 38.452 39.000 0.243 0.000 0.963 195 F HN 0.077 nan 8.300 nan 0.000 0.491 196 S N 0.223 115.937 115.700 0.024 0.000 2.383 196 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 196 S C 1.923 176.475 174.600 -0.079 0.000 1.026 196 S CA 1.258 59.357 58.200 -0.167 0.000 0.981 196 S CB -0.903 62.279 63.200 -0.031 0.000 0.818 196 S HN 0.330 nan 8.310 nan 0.000 0.472 197 L N 1.917 123.158 121.223 0.030 0.000 2.013 197 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 197 L C 2.629 179.527 176.870 0.047 0.000 1.073 197 L CA 2.198 57.070 54.840 0.052 0.000 0.753 197 L CB -1.613 40.513 42.059 0.111 0.000 0.890 197 L HN 0.533 nan 8.230 nan 0.000 0.432 198 H N -2.123 116.916 119.070 -0.052 0.000 2.422 198 H HA -0.262 4.294 4.556 -0.001 0.000 0.298 198 H C 2.066 177.363 175.328 -0.053 0.000 1.098 198 H CA 1.803 57.799 56.048 -0.086 0.000 1.315 198 H CB -0.241 29.446 29.762 -0.125 0.000 1.382 198 H HN 0.477 nan 8.280 nan 0.000 0.523 199 Y N -0.736 119.367 120.300 -0.328 0.000 2.509 199 Y HA -0.069 4.481 4.550 -0.001 0.000 0.293 199 Y C 2.042 177.890 175.900 -0.087 0.000 1.133 199 Y CA 0.237 58.154 58.100 -0.305 0.000 1.283 199 Y CB 0.262 38.461 38.460 -0.436 0.000 1.001 199 Y HN 0.296 nan 8.280 nan 0.000 0.555 200 L N -0.865 120.442 121.223 0.141 0.000 2.189 200 L HA -0.062 4.278 4.340 -0.000 0.000 0.199 200 L C 1.958 178.927 176.870 0.165 0.000 1.074 200 L CA 0.988 55.918 54.840 0.150 0.000 0.783 200 L CB -0.893 41.176 42.059 0.015 0.000 0.955 200 L HN 0.269 nan 8.230 nan 0.000 0.460 201 L N 1.410 122.666 121.223 0.055 0.000 2.010 201 L HA -0.208 4.131 4.340 -0.000 0.000 0.219 201 L C -0.425 176.451 176.870 0.010 0.000 1.077 201 L CA 2.723 57.577 54.840 0.024 0.000 0.773 201 L CB -2.062 39.993 42.059 -0.006 0.000 0.892 201 L HN 0.210 nan 8.230 nan 0.000 0.436 202 P HA -0.276 nan 4.420 nan 0.000 0.214 202 P C 1.849 179.101 177.300 -0.079 0.000 1.172 202 P CA 1.909 64.925 63.100 -0.140 0.000 0.925 202 P CB -0.300 31.229 31.700 -0.284 0.000 0.793 203 F N -0.145 119.765 119.950 -0.068 0.000 2.063 203 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 203 F C 2.776 178.555 175.800 -0.035 0.000 1.105 203 F CA 1.469 59.445 58.000 -0.039 0.000 1.215 203 F CB -1.789 37.202 39.000 -0.015 0.000 0.972 203 F HN -0.237 nan 8.300 nan 0.000 0.483 204 V N 0.095 120.116 119.914 0.179 0.000 2.231 204 V HA -0.347 3.772 4.120 -0.000 0.000 0.248 204 V C 2.306 178.420 176.094 0.033 0.000 1.054 204 V CA 2.184 64.533 62.300 0.082 0.000 1.015 204 V CB -0.617 31.236 31.823 0.051 0.000 0.638 204 V HN 0.256 nan 8.190 nan 0.000 0.444 205 I N -0.188 120.384 120.570 0.003 0.000 2.087 205 I HA -0.368 3.802 4.170 -0.000 0.000 0.240 205 I C 2.532 178.635 176.117 -0.023 0.000 1.054 205 I CA 2.093 63.379 61.300 -0.023 0.000 1.311 205 I CB -0.637 37.342 38.000 -0.036 0.000 1.024 205 I HN 0.326 nan 8.210 nan 0.000 0.402 206 A N 0.256 123.053 122.820 -0.038 0.000 1.870 206 A HA -0.356 3.963 4.320 -0.000 0.000 0.219 206 A C 2.494 180.068 177.584 -0.016 0.000 1.224 206 A CA 2.935 54.947 52.037 -0.043 0.000 0.650 206 A CB -1.532 17.418 19.000 -0.083 0.000 0.836 206 A HN 0.537 nan 8.150 nan 0.000 0.454 207 A N -0.692 122.131 122.820 0.005 0.000 1.873 207 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 207 A C 2.272 179.856 177.584 -0.001 0.000 1.193 207 A CA 1.814 53.851 52.037 -0.002 0.000 0.629 207 A CB -0.846 18.163 19.000 0.015 0.000 0.826 207 A HN 0.706 nan 8.150 nan 0.000 0.447 208 L N -0.611 120.618 121.223 0.009 0.000 2.051 208 L HA -0.201 4.139 4.340 -0.000 0.000 0.214 208 L C 2.522 179.413 176.870 0.036 0.000 1.076 208 L CA 1.826 56.678 54.840 0.019 0.000 0.758 208 L CB -0.275 41.783 42.059 -0.001 0.000 0.890 208 L HN 0.291 nan 8.230 nan 0.000 0.433 209 V N -0.132 119.790 119.914 0.013 0.000 2.295 209 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 209 V C 2.745 178.901 176.094 0.103 0.000 1.049 209 V CA 1.819 64.148 62.300 0.048 0.000 1.024 209 V CB -0.434 31.394 31.823 0.009 0.000 0.648 209 V HN 0.632 nan 8.190 nan 0.000 0.447 210 A N -0.266 122.566 122.820 0.020 0.000 1.903 210 A HA -0.263 4.056 4.320 -0.000 0.000 0.219 210 A C 2.083 179.648 177.584 -0.031 0.000 1.191 210 A CA 2.434 54.442 52.037 -0.048 0.000 0.638 210 A CB -0.679 18.251 19.000 -0.117 0.000 0.823 210 A HN 0.461 nan 8.150 nan 0.000 0.451 211 I N -0.858 119.732 120.570 0.034 0.000 2.127 211 I HA -0.221 3.948 4.170 -0.000 0.000 0.241 211 I C 2.207 178.463 176.117 0.232 0.000 1.075 211 I CA 1.955 63.340 61.300 0.141 0.000 1.334 211 I CB -1.140 36.957 38.000 0.162 0.000 1.040 211 I HN 0.608 nan 8.210 nan 0.000 0.405 212 H N 0.687 119.831 119.070 0.124 0.000 2.272 212 H HA -0.249 4.307 4.556 -0.001 0.000 0.289 212 H C 2.234 177.688 175.328 0.210 0.000 1.100 212 H CA 2.571 58.738 56.048 0.198 0.000 1.209 212 H CB -0.471 29.407 29.762 0.194 0.000 1.348 212 H HN 0.319 nan 8.280 nan 0.000 0.481 213 I N -1.169 119.512 120.570 0.186 0.000 2.053 213 I HA -0.408 3.762 4.170 -0.000 0.000 0.236 213 I C 2.258 178.030 176.117 -0.575 0.000 1.038 213 I CA 1.653 62.739 61.300 -0.356 0.000 1.304 213 I CB -0.588 37.273 38.000 -0.232 0.000 1.023 213 I HN 0.418 nan 8.210 nan 0.000 0.395 214 W N 1.368 122.448 121.300 -0.366 0.000 2.277 214 W HA -0.374 4.287 4.660 0.001 0.000 0.327 214 W C 2.724 179.117 176.519 -0.208 0.000 1.284 214 W CA 2.316 59.505 57.345 -0.260 0.000 1.277 214 W CB -1.121 28.270 29.460 -0.115 0.000 1.141 214 W HN 0.272 nan 8.180 nan 0.000 0.482 215 A N 0.370 123.269 122.820 0.131 0.000 1.842 215 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 215 A C 2.005 179.624 177.584 0.059 0.000 1.206 215 A CA 2.758 54.840 52.037 0.074 0.000 0.630 215 A CB -1.902 17.185 19.000 0.145 0.000 0.839 215 A HN 0.489 nan 8.150 nan 0.000 0.447 216 F N -0.152 119.845 119.950 0.078 0.000 2.147 216 F HA -0.249 4.278 4.527 -0.001 0.000 0.301 216 F C 1.905 177.796 175.800 0.152 0.000 1.084 216 F CA 2.079 60.130 58.000 0.085 0.000 1.268 216 F CB -1.327 37.695 39.000 0.037 0.000 1.009 216 F HN 0.350 nan 8.300 nan 0.000 0.486 217 H N 1.032 119.797 119.070 -0.508 0.000 2.270 217 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 217 H C 2.583 177.875 175.328 -0.060 0.000 1.077 217 H CA 2.809 58.715 56.048 -0.237 0.000 1.294 217 H CB -0.973 28.593 29.762 -0.327 0.000 1.371 217 H HN 0.443 nan 8.280 nan 0.000 0.491 218 T N -2.333 112.231 114.554 0.016 0.000 2.969 218 T HA -0.173 4.176 4.350 -0.000 0.000 0.271 218 T C 1.614 176.308 174.700 -0.010 0.000 1.127 218 T CA 1.656 63.727 62.100 -0.048 0.000 1.102 218 T CB -0.583 68.191 68.868 -0.156 0.000 0.855 218 T HN 0.551 nan 8.240 nan 0.000 0.536 219 T N -3.227 111.356 114.554 0.049 0.000 3.043 219 T HA 0.528 4.878 4.350 -0.000 0.000 0.272 219 T C 1.119 175.872 174.700 0.089 0.000 0.990 219 T CA 0.203 62.341 62.100 0.064 0.000 0.897 219 T CB 0.092 69.007 68.868 0.078 0.000 1.111 219 T HN 1.182 nan 8.240 nan 0.000 0.529 220 G N 2.679 111.547 108.800 0.112 0.000 2.734 220 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.277 220 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.277 220 G C -0.133 174.875 174.900 0.179 0.000 1.099 220 G CA -0.268 44.897 45.100 0.108 0.000 1.218 220 G HN 0.650 nan 8.290 nan 0.000 0.554 221 N N -1.026 117.842 118.700 0.280 0.000 3.365 221 N HA -0.242 4.498 4.740 -0.000 0.000 0.341 221 N C 0.660 176.446 175.510 0.461 0.000 1.159 221 N CA 1.625 54.839 53.050 0.274 0.000 1.720 221 N CB 0.059 38.719 38.487 0.288 0.000 0.837 221 N HN 0.846 nan 8.380 nan 0.000 0.633 222 N N -0.079 119.269 118.700 1.079 0.000 2.482 222 N HA 0.258 4.998 4.740 -0.000 0.000 0.279 222 N C -0.850 174.810 175.510 0.250 0.000 1.182 222 N CA -0.538 53.055 53.050 0.905 0.000 0.969 222 N CB 0.637 39.626 38.487 0.836 0.000 1.201 222 N HN 0.572 nan 8.380 nan 0.000 0.523 223 N N 1.278 120.009 118.700 0.052 0.000 2.425 223 N HA 0.348 5.088 4.740 -0.000 0.000 0.268 223 N C -2.114 173.225 175.510 -0.285 0.000 0.991 223 N CA -1.942 50.953 53.050 -0.258 0.000 0.931 223 N CB 1.433 39.844 38.487 -0.126 0.000 1.130 223 N HN 0.377 nan 8.380 nan 0.000 0.493 224 P HA -0.066 nan 4.420 nan 0.000 0.234 224 P C 0.417 177.411 177.300 -0.510 0.000 1.162 224 P CA 0.921 63.703 63.100 -0.530 0.000 0.759 224 P CB 0.417 31.866 31.700 -0.418 0.000 0.813 225 T N -1.942 112.449 114.554 -0.271 0.000 2.964 225 T HA 0.368 4.718 4.350 -0.000 0.000 0.249 225 T C 0.928 175.620 174.700 -0.014 0.000 1.000 225 T CA 0.827 62.877 62.100 -0.083 0.000 0.992 225 T CB -0.307 68.593 68.868 0.053 0.000 1.087 225 T HN 0.211 nan 8.240 nan 0.000 0.489 226 G N 1.475 110.233 108.800 -0.070 0.000 2.520 226 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.264 226 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.264 226 G C -0.223 174.660 174.900 -0.029 0.000 1.140 226 G CA -0.070 45.002 45.100 -0.048 0.000 1.012 226 G HN 1.423 nan 8.290 nan 0.000 0.511 227 V N -2.808 117.085 119.914 -0.034 0.000 2.610 227 V HA 0.620 4.739 4.120 -0.000 0.000 0.298 227 V C 1.004 177.079 176.094 -0.032 0.000 1.067 227 V CA -0.175 62.103 62.300 -0.036 0.000 0.894 227 V CB 1.460 33.259 31.823 -0.040 0.000 1.015 227 V HN 0.390 nan 8.190 nan 0.000 0.432 228 E N 2.217 122.400 120.200 -0.030 0.000 2.352 228 E HA -0.103 4.246 4.350 -0.000 0.000 0.203 228 E C 0.622 177.210 176.600 -0.020 0.000 1.024 228 E CA 1.212 57.600 56.400 -0.021 0.000 0.842 228 E CB -0.081 29.605 29.700 -0.024 0.000 0.753 228 E HN 0.841 nan 8.360 nan 0.000 0.508 229 V N 1.750 121.648 119.914 -0.027 0.000 3.825 229 V HA -0.352 3.768 4.120 -0.000 0.000 0.521 229 V C 0.838 176.920 176.094 -0.020 0.000 0.682 229 V CA 1.180 63.464 62.300 -0.027 0.000 2.054 229 V CB -0.273 31.531 31.823 -0.031 0.000 2.452 229 V HN 0.567 nan 8.190 nan 0.000 0.514 230 R N 2.106 122.594 120.500 -0.020 0.000 4.186 230 R HA -0.304 4.035 4.340 -0.000 0.000 0.374 230 R C 1.538 177.830 176.300 -0.013 0.000 0.854 230 R CA 2.096 58.188 56.100 -0.015 0.000 1.831 230 R CB -1.334 28.961 30.300 -0.009 0.000 2.380 230 R HN 0.758 nan 8.270 nan 0.000 0.491 231 R N 2.122 122.615 120.500 -0.012 0.000 2.377 231 R HA -0.005 4.335 4.340 -0.000 0.000 0.207 231 R C 0.941 177.232 176.300 -0.016 0.000 1.075 231 R CA 1.535 57.627 56.100 -0.012 0.000 1.035 231 R CB -0.727 29.566 30.300 -0.011 0.000 0.857 231 R HN 0.537 nan 8.270 nan 0.000 0.475 232 T N -0.742 113.801 114.554 -0.019 0.000 2.896 232 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 232 T C 0.983 175.671 174.700 -0.019 0.000 1.104 232 T CA 1.234 63.321 62.100 -0.022 0.000 1.115 232 T CB -0.039 68.814 68.868 -0.024 0.000 0.843 232 T HN 0.299 nan 8.240 nan 0.000 0.523 233 S N -0.798 114.892 115.700 -0.016 0.000 4.152 233 S HA -0.227 4.243 4.470 -0.000 0.000 0.266 233 S C 0.973 175.566 174.600 -0.012 0.000 1.862 233 S CA 0.559 58.751 58.200 -0.014 0.000 4.242 233 S CB -0.928 62.263 63.200 -0.015 0.000 0.206 233 S HN 0.405 nan 8.310 nan 0.000 0.454 234 K N 1.052 121.445 120.400 -0.013 0.000 5.860 234 K HA -0.244 4.076 4.320 -0.000 0.000 0.293 234 K C 0.475 177.070 176.600 -0.008 0.000 0.645 234 K CA 2.681 58.961 56.287 -0.012 0.000 0.970 234 K CB -1.702 30.791 32.500 -0.012 0.000 0.789 234 K HN 2.016 nan 8.250 nan 0.000 0.882 235 A N 0.799 123.615 122.820 -0.006 0.000 2.366 235 A HA 0.379 4.698 4.320 -0.000 0.000 0.288 235 A C -1.614 175.970 177.584 -0.000 0.000 1.012 235 A CA 0.654 52.689 52.037 -0.003 0.000 0.554 235 A CB -0.150 18.849 19.000 -0.002 0.000 1.527 235 A HN 1.212 nan 8.150 nan 0.000 0.659 236 D N -1.721 118.681 120.400 0.004 0.000 10.532 236 D HA 0.115 4.754 4.640 -0.000 0.000 0.323 236 D C 0.539 176.846 176.300 0.010 0.000 3.008 236 D CA 0.907 54.911 54.000 0.007 0.000 2.668 236 D CB -0.832 39.971 40.800 0.003 0.000 1.147 236 D HN 2.339 nan 8.370 nan 0.000 0.894 237 A N 2.719 125.549 122.820 0.017 0.000 2.272 237 A HA 0.183 4.502 4.320 -0.000 0.000 0.213 237 A C 0.796 178.394 177.584 0.023 0.000 1.183 237 A CA 2.322 54.374 52.037 0.025 0.000 0.719 237 A CB -0.990 18.032 19.000 0.037 0.000 0.771 237 A HN 2.055 nan 8.150 nan 0.000 0.484 238 E N -2.376 117.832 120.200 0.014 0.000 7.781 238 E HA -0.240 4.110 4.350 -0.000 0.000 0.466 238 E C 0.145 176.751 176.600 0.011 0.000 0.562 238 E CA 0.737 57.141 56.400 0.008 0.000 0.986 238 E CB -1.258 28.444 29.700 0.003 0.000 0.975 238 E HN 0.550 nan 8.360 nan 0.000 0.333 239 K N 1.290 121.691 120.400 0.002 0.000 1.980 239 K HA -0.138 4.181 4.320 -0.000 0.000 0.223 239 K C 1.118 177.719 176.600 0.003 0.000 1.052 239 K CA 2.192 58.479 56.287 -0.001 0.000 0.974 239 K CB -0.813 31.680 32.500 -0.013 0.000 0.734 239 K HN 0.987 nan 8.250 nan 0.000 0.447 240 D N 0.201 120.599 120.400 -0.003 0.000 2.372 240 D HA 0.065 4.705 4.640 -0.000 0.000 0.243 240 D C -0.628 175.688 176.300 0.027 0.000 1.121 240 D CA 0.953 54.956 54.000 0.004 0.000 0.898 240 D CB 0.515 41.309 40.800 -0.010 0.000 1.202 240 D HN 0.444 nan 8.370 nan 0.000 0.428 241 T N 0.038 114.628 114.554 0.059 0.000 4.517 241 T HA -0.055 4.294 4.350 -0.000 0.000 0.336 241 T C -0.374 174.412 174.700 0.144 0.000 0.790 241 T CA -0.629 61.519 62.100 0.080 0.000 2.037 241 T CB -2.348 66.547 68.868 0.045 0.000 1.896 241 T HN 0.286 nan 8.240 nan 0.000 1.014 242 L N 0.741 122.099 121.223 0.226 0.000 2.482 242 L HA 0.639 4.979 4.340 -0.000 0.000 0.242 242 L C -1.683 175.489 176.870 0.505 0.000 1.210 242 L CA -1.862 53.185 54.840 0.345 0.000 0.819 242 L CB -0.314 41.870 42.059 0.208 0.000 1.203 242 L HN 0.222 nan 8.230 nan 0.000 0.495 243 P HA 0.048 nan 4.420 nan 0.000 0.287 243 P C 0.646 178.339 177.300 0.656 0.000 1.294 243 P CA -0.284 63.139 63.100 0.539 0.000 0.776 243 P CB 0.555 32.487 31.700 0.386 0.000 0.889 244 F N 3.710 123.896 119.950 0.394 0.000 2.053 244 F HA -0.194 4.333 4.527 -0.001 0.000 0.295 244 F C 1.044 177.107 175.800 0.439 0.000 1.102 244 F CA 1.819 60.062 58.000 0.406 0.000 1.225 244 F CB -0.243 38.935 39.000 0.297 0.000 0.961 244 F HN 0.336 nan 8.300 nan 0.000 0.495 245 W N 3.167 124.703 121.300 0.394 0.000 2.322 245 W HA 0.261 4.921 4.660 -0.001 0.000 0.307 245 W C -2.264 174.195 176.519 -0.101 0.000 1.220 245 W CA -2.498 54.942 57.345 0.158 0.000 1.210 245 W CB 0.728 30.277 29.460 0.148 0.000 1.223 245 W HN -0.003 nan 8.180 nan 0.000 0.511 246 P HA 0.028 nan 4.420 nan 0.000 0.280 246 P C 0.526 177.607 177.300 -0.365 0.000 1.431 246 P CA 0.221 62.850 63.100 -0.785 0.000 1.058 246 P CB 0.259 31.231 31.700 -1.213 0.000 1.521 247 Y N -0.105 120.210 120.300 0.024 0.000 2.034 247 Y HA -0.230 4.320 4.550 -0.000 0.000 0.269 247 Y C 2.269 178.063 175.900 -0.177 0.000 1.125 247 Y CA 1.334 59.383 58.100 -0.086 0.000 1.097 247 Y CB -1.455 36.968 38.460 -0.062 0.000 0.978 247 Y HN -0.190 nan 8.280 nan 0.000 0.480 248 F N -1.038 118.929 119.950 0.028 0.000 2.102 248 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 248 F C 2.448 178.072 175.800 -0.293 0.000 1.105 248 F CA 0.969 58.858 58.000 -0.185 0.000 1.239 248 F CB -1.352 37.388 39.000 -0.433 0.000 0.991 248 F HN -0.143 nan 8.300 nan 0.000 0.474 249 V N 0.642 120.476 119.914 -0.134 0.000 2.231 249 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 249 V C 2.442 178.493 176.094 -0.072 0.000 1.058 249 V CA 1.794 64.055 62.300 -0.065 0.000 1.022 249 V CB -0.482 31.380 31.823 0.066 0.000 0.640 249 V HN 0.202 nan 8.190 nan 0.000 0.445 250 I N -0.309 120.180 120.570 -0.135 0.000 2.091 250 I HA -0.320 3.850 4.170 -0.000 0.000 0.239 250 I C 2.440 178.562 176.117 0.007 0.000 1.061 250 I CA 2.231 63.469 61.300 -0.103 0.000 1.317 250 I CB -1.424 36.489 38.000 -0.146 0.000 1.031 250 I HN 0.424 nan 8.210 nan 0.000 0.401 251 K N 0.789 121.205 120.400 0.027 0.000 2.049 251 K HA -0.278 4.041 4.320 -0.000 0.000 0.219 251 K C 1.729 178.401 176.600 0.121 0.000 1.056 251 K CA 2.455 58.833 56.287 0.152 0.000 0.946 251 K CB -0.144 32.440 32.500 0.139 0.000 0.723 251 K HN 0.356 nan 8.250 nan 0.000 0.453 252 D N 0.559 120.980 120.400 0.034 0.000 2.120 252 D HA -0.222 4.418 4.640 -0.000 0.000 0.191 252 D C 2.163 178.435 176.300 -0.047 0.000 0.994 252 D CA 1.462 55.446 54.000 -0.027 0.000 0.838 252 D CB -0.628 40.177 40.800 0.008 0.000 0.976 252 D HN 0.151 nan 8.370 nan 0.000 0.447 253 L N 0.254 121.469 121.223 -0.014 0.000 2.054 253 L HA -0.264 4.076 4.340 -0.000 0.000 0.220 253 L C 2.373 179.222 176.870 -0.035 0.000 1.081 253 L CA 1.550 56.368 54.840 -0.037 0.000 0.780 253 L CB -0.675 41.371 42.059 -0.022 0.000 0.893 253 L HN 0.032 nan 8.230 nan 0.000 0.438 254 F N 0.194 120.076 119.950 -0.114 0.000 2.010 254 F HA -0.293 4.234 4.527 -0.001 0.000 0.296 254 F C 2.408 178.111 175.800 -0.163 0.000 1.146 254 F CA 1.532 59.465 58.000 -0.111 0.000 1.181 254 F CB -1.032 37.929 39.000 -0.065 0.000 0.965 254 F HN 0.047 nan 8.300 nan 0.000 0.480 255 A N 0.967 123.398 122.820 -0.649 0.000 1.915 255 A HA -0.277 4.042 4.320 -0.000 0.000 0.220 255 A C 2.337 179.609 177.584 -0.520 0.000 1.198 255 A CA 2.267 53.803 52.037 -0.834 0.000 0.647 255 A CB -1.645 16.891 19.000 -0.773 0.000 0.825 255 A HN 0.698 nan 8.150 nan 0.000 0.456 256 L N -0.563 120.462 121.223 -0.329 0.000 1.990 256 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 256 L C 2.761 179.468 176.870 -0.272 0.000 1.072 256 L CA 2.476 57.179 54.840 -0.229 0.000 0.755 256 L CB -0.569 41.361 42.059 -0.215 0.000 0.889 256 L HN 0.403 nan 8.230 nan 0.000 0.432 257 A N -0.002 122.645 122.820 -0.289 0.000 1.884 257 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 257 A C 2.225 179.666 177.584 -0.237 0.000 1.197 257 A CA 2.372 54.260 52.037 -0.248 0.000 0.637 257 A CB -1.185 17.718 19.000 -0.161 0.000 0.827 257 A HN 0.575 nan 8.150 nan 0.000 0.450 258 L N -0.135 120.878 121.223 -0.349 0.000 1.990 258 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 258 L C 2.693 179.495 176.870 -0.113 0.000 1.072 258 L CA 2.090 56.769 54.840 -0.268 0.000 0.755 258 L CB -1.185 40.623 42.059 -0.419 0.000 0.889 258 L HN 0.457 nan 8.230 nan 0.000 0.432 259 V N -1.965 117.892 119.914 -0.095 0.000 2.287 259 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 259 V C 2.510 178.674 176.094 0.116 0.000 1.053 259 V CA 1.462 63.795 62.300 0.055 0.000 1.027 259 V CB -0.927 30.966 31.823 0.117 0.000 0.646 259 V HN 0.313 nan 8.190 nan 0.000 0.447 260 L N -0.439 120.794 121.223 0.016 0.000 1.997 260 L HA -0.240 4.099 4.340 -0.000 0.000 0.216 260 L C 2.625 179.569 176.870 0.123 0.000 1.074 260 L CA 2.722 57.595 54.840 0.054 0.000 0.763 260 L CB -0.853 41.083 42.059 -0.205 0.000 0.890 260 L HN 0.447 nan 8.230 nan 0.000 0.434 261 L N -0.219 120.999 121.223 -0.008 0.000 1.944 261 L HA -0.199 4.141 4.340 -0.000 0.000 0.218 261 L C 2.475 179.437 176.870 0.154 0.000 1.075 261 L CA 2.105 56.961 54.840 0.026 0.000 0.767 261 L CB -0.889 41.166 42.059 -0.008 0.000 0.890 261 L HN 0.314 nan 8.230 nan 0.000 0.434 262 G N -0.796 108.093 108.800 0.149 0.000 2.505 262 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.220 262 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.220 262 G C 1.400 176.449 174.900 0.248 0.000 1.145 262 G CA 1.190 46.396 45.100 0.177 0.000 0.761 262 G HN 0.541 nan 8.290 nan 0.000 0.571 263 F N 0.622 120.682 119.950 0.183 0.000 2.031 263 F HA 0.009 4.536 4.527 -0.001 0.000 0.295 263 F C 2.378 178.369 175.800 0.317 0.000 1.133 263 F CA 1.500 59.649 58.000 0.248 0.000 1.188 263 F CB -0.346 38.834 39.000 0.301 0.000 0.974 263 F HN 0.089 nan 8.300 nan 0.000 0.473 264 F N 1.108 121.098 119.950 0.068 0.000 2.192 264 F HA -0.210 4.316 4.527 -0.001 0.000 0.301 264 F C 2.566 178.263 175.800 -0.172 0.000 1.079 264 F CA 0.924 58.862 58.000 -0.102 0.000 1.303 264 F CB -1.691 37.364 39.000 0.092 0.000 1.024 264 F HN 0.156 nan 8.300 nan 0.000 0.494 265 A N 0.356 123.270 122.820 0.157 0.000 1.859 265 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 265 A C 2.408 179.982 177.584 -0.017 0.000 1.198 265 A CA 2.816 54.915 52.037 0.104 0.000 0.629 265 A CB -1.364 17.739 19.000 0.173 0.000 0.830 265 A HN 0.191 nan 8.150 nan 0.000 0.446 266 V N -0.963 118.931 119.914 -0.035 0.000 2.282 266 V HA -0.264 3.855 4.120 -0.000 0.000 0.249 266 V C 2.352 178.333 176.094 -0.189 0.000 1.057 266 V CA 2.051 64.305 62.300 -0.077 0.000 1.032 266 V CB -1.584 30.202 31.823 -0.060 0.000 0.645 266 V HN 0.296 nan 8.190 nan 0.000 0.447 267 V N 0.460 120.141 119.914 -0.387 0.000 2.214 267 V HA -0.304 3.815 4.120 -0.000 0.000 0.247 267 V C 2.921 178.837 176.094 -0.297 0.000 1.051 267 V CA 2.662 64.749 62.300 -0.355 0.000 1.003 267 V CB -1.244 30.282 31.823 -0.495 0.000 0.635 267 V HN 0.593 nan 8.190 nan 0.000 0.447 268 A N -1.315 121.287 122.820 -0.363 0.000 1.884 268 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 268 A C 1.937 179.131 177.584 -0.651 0.000 1.197 268 A CA 2.659 54.360 52.037 -0.560 0.000 0.637 268 A CB -0.878 17.612 19.000 -0.849 0.000 0.827 268 A HN 0.744 nan 8.150 nan 0.000 0.450 269 Y N -2.859 117.407 120.300 -0.056 0.000 2.458 269 Y HA 0.469 5.019 4.550 0.000 0.000 0.256 269 Y C 1.099 176.962 175.900 -0.062 0.000 1.159 269 Y CA -0.031 58.033 58.100 -0.061 0.000 1.261 269 Y CB 0.439 38.875 38.460 -0.041 0.000 1.119 269 Y HN 0.142 nan 8.280 nan 0.000 0.524 270 M N 0.647 120.255 119.600 0.013 0.000 4.494 270 M HA 0.157 4.637 4.480 -0.000 0.000 0.546 270 M C -2.150 174.173 176.300 0.038 0.000 2.065 270 M CA -0.699 54.622 55.300 0.034 0.000 0.552 270 M CB 1.103 33.736 32.600 0.054 0.000 1.463 270 M HN -0.180 nan 8.290 nan 0.000 0.596 271 P HA -0.079 nan 4.420 nan 0.000 0.234 271 P C -0.084 177.395 177.300 0.298 0.000 1.162 271 P CA 1.432 64.558 63.100 0.042 0.000 0.759 271 P CB 0.023 31.459 31.700 -0.440 0.000 0.813 272 N N -2.578 116.260 118.700 0.230 0.000 2.240 272 N HA 0.040 4.780 4.740 -0.000 0.000 0.240 272 N C 0.809 176.419 175.510 0.166 0.000 1.277 272 N CA -0.403 52.799 53.050 0.253 0.000 0.873 272 N CB -0.186 38.499 38.487 0.329 0.000 1.222 272 N HN -0.068 nan 8.380 nan 0.000 0.507 273 Y N 1.352 121.649 120.300 -0.006 0.000 2.163 273 Y HA 0.064 4.614 4.550 -0.001 0.000 0.288 273 Y C 1.295 177.106 175.900 -0.148 0.000 1.136 273 Y CA 1.449 59.506 58.100 -0.072 0.000 1.147 273 Y CB -0.224 38.191 38.460 -0.075 0.000 0.987 273 Y HN 0.023 nan 8.280 nan 0.000 0.509 274 L N 0.079 121.124 121.223 -0.295 0.000 2.275 274 L HA 0.034 4.374 4.340 -0.000 0.000 0.215 274 L C 1.797 178.489 176.870 -0.297 0.000 1.119 274 L CA 0.464 55.042 54.840 -0.437 0.000 0.790 274 L CB -1.119 40.776 42.059 -0.274 0.000 0.919 274 L HN 0.259 nan 8.230 nan 0.000 0.443 275 G N -1.421 107.279 108.800 -0.165 0.000 2.611 275 G HA2 0.144 4.104 3.960 -0.000 0.000 0.273 275 G HA3 0.144 4.104 3.960 -0.000 0.000 0.273 275 G C -0.515 174.185 174.900 -0.334 0.000 1.305 275 G CA -0.347 44.707 45.100 -0.076 0.000 1.010 275 G HN 0.261 nan 8.290 nan 0.000 0.509 276 H N 1.024 120.139 119.070 0.075 0.000 2.917 276 H HA 0.172 4.728 4.556 -0.001 0.000 0.279 276 H C -1.597 173.812 175.328 0.135 0.000 1.211 276 H CA -1.252 54.845 56.048 0.082 0.000 1.534 276 H CB 1.886 31.677 29.762 0.049 0.000 1.581 276 H HN 0.291 nan 8.280 nan 0.000 0.510 277 P HA -0.369 nan 4.420 nan 0.000 0.228 277 P C 0.879 178.347 177.300 0.279 0.000 0.798 277 P CA 2.029 65.278 63.100 0.249 0.000 1.070 277 P CB 0.081 31.884 31.700 0.172 0.000 0.714 278 D N -1.295 119.236 120.400 0.217 0.000 2.220 278 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 278 D C 1.378 177.775 176.300 0.162 0.000 1.001 278 D CA 1.578 55.692 54.000 0.191 0.000 0.875 278 D CB -1.417 39.480 40.800 0.161 0.000 0.921 278 D HN 0.317 nan 8.370 nan 0.000 0.454 279 N N -1.135 117.635 118.700 0.117 0.000 2.535 279 N HA -0.046 4.694 4.740 -0.000 0.000 0.203 279 N C -0.486 174.940 175.510 -0.140 0.000 1.301 279 N CA 0.244 53.253 53.050 -0.068 0.000 0.859 279 N CB -0.262 38.157 38.487 -0.113 0.000 1.055 279 N HN 0.368 nan 8.380 nan 0.000 0.457 280 Y N -1.411 118.953 120.300 0.107 0.000 2.719 280 Y HA 0.323 4.873 4.550 -0.001 0.000 0.251 280 Y C -0.352 175.805 175.900 0.428 0.000 1.159 280 Y CA -0.483 57.806 58.100 0.315 0.000 1.166 280 Y CB 1.103 39.703 38.460 0.233 0.000 1.219 280 Y HN -0.139 nan 8.280 nan 0.000 0.551 281 V N 1.700 121.909 119.914 0.491 0.000 2.629 281 V HA 0.227 4.347 4.120 -0.000 0.000 0.263 281 V C -0.720 175.580 176.094 0.344 0.000 0.959 281 V CA -0.484 62.059 62.300 0.406 0.000 0.869 281 V CB 0.774 32.738 31.823 0.235 0.000 1.060 281 V HN 0.306 nan 8.190 nan 0.000 0.474 282 Q N 3.046 123.188 119.800 0.571 0.000 3.120 282 Q HA -0.134 4.206 4.340 -0.000 0.000 0.368 282 Q C 0.757 176.824 176.000 0.113 0.000 1.306 282 Q CA 1.289 57.333 55.803 0.402 0.000 0.806 282 Q CB 0.266 29.223 28.738 0.365 0.000 1.338 282 Q HN 1.171 nan 8.270 nan 0.000 0.593 283 A N 3.010 125.819 122.820 -0.018 0.000 2.520 283 A HA 0.154 4.474 4.320 -0.000 0.000 0.245 283 A C 0.120 177.530 177.584 -0.290 0.000 1.072 283 A CA 0.332 52.184 52.037 -0.308 0.000 0.761 283 A CB 0.074 18.612 19.000 -0.770 0.000 1.004 283 A HN 0.703 nan 8.150 nan 0.000 0.499 284 N N 2.475 120.942 118.700 -0.389 0.000 2.531 284 N HA 0.483 5.223 4.740 -0.000 0.000 0.268 284 N C -2.545 172.675 175.510 -0.484 0.000 1.023 284 N CA -1.749 51.132 53.050 -0.280 0.000 0.896 284 N CB 1.846 40.308 38.487 -0.041 0.000 1.233 284 N HN 0.140 nan 8.380 nan 0.000 0.512 285 P HA 0.028 nan 4.420 nan 0.000 0.239 285 P C 0.200 177.468 177.300 -0.054 0.000 1.184 285 P CA 0.568 63.303 63.100 -0.609 0.000 0.760 285 P CB 0.222 31.671 31.700 -0.419 0.000 0.884 286 L N -3.012 118.240 121.223 0.049 0.000 2.590 286 L HA 0.228 4.568 4.340 -0.000 0.000 0.227 286 L C 0.852 177.857 176.870 0.224 0.000 1.099 286 L CA 0.570 55.494 54.840 0.140 0.000 0.872 286 L CB -0.251 41.846 42.059 0.063 0.000 1.088 286 L HN -0.198 nan 8.230 nan 0.000 0.479 287 S N -0.862 115.034 115.700 0.327 0.000 2.543 287 S HA 0.499 4.968 4.470 -0.000 0.000 0.271 287 S C -0.514 174.247 174.600 0.268 0.000 1.148 287 S CA -0.638 57.699 58.200 0.228 0.000 0.914 287 S CB 1.090 64.348 63.200 0.096 0.000 1.096 287 S HN 0.186 nan 8.310 nan 0.000 0.471 288 T N 3.447 117.854 114.554 -0.245 0.000 2.727 288 T HA 0.519 4.869 4.350 -0.000 0.000 0.298 288 T C -2.687 171.829 174.700 -0.307 0.000 0.942 288 T CA -1.517 60.125 62.100 -0.764 0.000 0.997 288 T CB 0.300 68.484 68.868 -1.139 0.000 0.917 288 T HN 0.366 nan 8.240 nan 0.000 0.487 289 P HA 0.262 nan 4.420 nan 0.000 0.263 289 P C -0.117 177.124 177.300 -0.098 0.000 1.175 289 P CA -0.151 62.924 63.100 -0.042 0.000 0.761 289 P CB 0.216 31.948 31.700 0.054 0.000 0.794 290 A N 2.876 125.627 122.820 -0.114 0.000 2.351 290 A HA 0.250 4.569 4.320 -0.000 0.000 0.257 290 A C -0.015 177.528 177.584 -0.070 0.000 1.087 290 A CA -0.189 51.747 52.037 -0.168 0.000 0.798 290 A CB -0.621 18.206 19.000 -0.290 0.000 1.033 290 A HN 0.838 nan 8.150 nan 0.000 0.488 291 H N -0.137 118.897 119.070 -0.059 0.000 2.929 291 H HA -0.159 4.396 4.556 -0.001 0.000 0.341 291 H C 0.229 175.537 175.328 -0.034 0.000 1.258 291 H CA 0.119 56.139 56.048 -0.047 0.000 1.185 291 H CB -1.508 28.239 29.762 -0.024 0.000 1.553 291 H HN 0.618 nan 8.280 nan 0.000 0.438 292 I N -0.969 119.634 120.570 0.055 0.000 2.185 292 I HA -0.057 4.113 4.170 -0.000 0.000 0.235 292 I C 1.523 177.607 176.117 -0.055 0.000 1.069 292 I CA 0.666 61.973 61.300 0.012 0.000 1.354 292 I CB -0.211 37.785 38.000 -0.006 0.000 1.093 292 I HN 0.228 nan 8.210 nan 0.000 0.411 293 V N 3.253 123.115 119.914 -0.087 0.000 5.791 293 V HA -0.205 3.915 4.120 -0.000 0.000 0.241 293 V C -1.147 174.742 176.094 -0.341 0.000 0.700 293 V CA -0.025 62.130 62.300 -0.242 0.000 0.848 293 V CB -2.084 29.583 31.823 -0.260 0.000 0.947 293 V HN 0.428 nan 8.190 nan 0.000 0.423 294 P HA -0.244 nan 4.420 nan 0.000 0.249 294 P C 0.689 177.683 177.300 -0.510 0.000 0.857 294 P CA 1.869 64.831 63.100 -0.230 0.000 1.100 294 P CB 0.448 32.104 31.700 -0.074 0.000 0.761 295 E N -2.153 117.705 120.200 -0.571 0.000 2.762 295 E HA 0.279 4.628 4.350 -0.000 0.000 0.193 295 E C 1.271 177.686 176.600 -0.309 0.000 0.700 295 E CA -0.118 55.927 56.400 -0.592 0.000 1.196 295 E CB -0.549 28.742 29.700 -0.683 0.000 1.804 295 E HN 0.599 nan 8.360 nan 0.000 0.381 296 W N 0.002 121.175 121.300 -0.211 0.000 3.283 296 W HA 0.066 4.725 4.660 -0.001 0.000 0.235 296 W C 0.670 177.224 176.519 0.058 0.000 1.123 296 W CA 0.020 57.289 57.345 -0.127 0.000 1.534 296 W CB -0.436 28.922 29.460 -0.170 0.000 0.839 296 W HN 0.414 nan 8.180 nan 0.000 0.734 297 Y N -0.018 119.260 120.300 -1.702 0.000 2.542 297 Y HA 0.237 4.787 4.550 -0.001 0.000 0.349 297 Y C 0.305 176.205 175.900 0.001 0.000 1.215 297 Y CA -1.507 55.836 58.100 -1.261 0.000 1.253 297 Y CB -2.289 35.269 38.460 -1.503 0.000 1.120 297 Y HN -0.130 nan 8.280 nan 0.000 0.487 298 F N -1.474 118.322 119.950 -0.257 0.000 2.883 298 F HA 0.210 4.736 4.527 -0.001 0.000 0.351 298 F C 1.734 177.449 175.800 -0.141 0.000 0.970 298 F CA -1.223 56.706 58.000 -0.118 0.000 1.130 298 F CB -0.572 38.359 39.000 -0.115 0.000 1.015 298 F HN 0.012 nan 8.300 nan 0.000 0.585 299 L N 2.047 123.276 121.223 0.011 0.000 2.040 299 L HA -0.289 4.051 4.340 -0.000 0.000 0.228 299 L C -0.161 176.600 176.870 -0.182 0.000 1.092 299 L CA 2.464 57.231 54.840 -0.121 0.000 0.805 299 L CB -2.161 39.816 42.059 -0.137 0.000 0.905 299 L HN 0.058 nan 8.230 nan 0.000 0.443 300 P HA -0.264 nan 4.420 nan 0.000 0.213 300 P C 1.713 178.807 177.300 -0.344 0.000 1.176 300 P CA 2.016 64.758 63.100 -0.598 0.000 0.919 300 P CB -0.257 30.732 31.700 -1.185 0.000 0.791 301 F N -1.363 118.501 119.950 -0.144 0.000 2.065 301 F HA -0.231 4.295 4.527 -0.001 0.000 0.298 301 F C 2.962 178.765 175.800 0.006 0.000 1.112 301 F CA 1.196 59.139 58.000 -0.096 0.000 1.212 301 F CB -1.621 37.341 39.000 -0.063 0.000 0.975 301 F HN -0.103 nan 8.300 nan 0.000 0.476 302 Y N 1.242 121.598 120.300 0.094 0.000 2.002 302 Y HA -0.439 4.110 4.550 -0.001 0.000 0.268 302 Y C 2.479 178.366 175.900 -0.022 0.000 1.177 302 Y CA 1.653 59.770 58.100 0.027 0.000 1.111 302 Y CB -0.708 37.745 38.460 -0.012 0.000 0.952 302 Y HN 0.035 nan 8.280 nan 0.000 0.491 303 A N 1.260 124.312 122.820 0.386 0.000 1.859 303 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 303 A C 2.214 179.829 177.584 0.052 0.000 1.198 303 A CA 2.596 54.747 52.037 0.190 0.000 0.629 303 A CB -1.621 17.382 19.000 0.006 0.000 0.830 303 A HN 0.757 nan 8.150 nan 0.000 0.446 304 I N -1.957 118.619 120.570 0.011 0.000 2.502 304 I HA -0.197 3.973 4.170 -0.000 0.000 0.258 304 I C 2.177 178.390 176.117 0.159 0.000 1.172 304 I CA 1.518 62.835 61.300 0.028 0.000 1.430 304 I CB -0.651 37.345 38.000 -0.007 0.000 1.086 304 I HN 0.337 nan 8.210 nan 0.000 0.440 305 L N 3.154 124.429 121.223 0.087 0.000 2.071 305 L HA -0.052 4.287 4.340 -0.000 0.000 0.201 305 L C 2.666 179.550 176.870 0.024 0.000 1.076 305 L CA 1.814 56.688 54.840 0.056 0.000 0.755 305 L CB -1.001 41.010 42.059 -0.080 0.000 0.915 305 L HN 0.328 nan 8.230 nan 0.000 0.445 306 R N 0.308 120.756 120.500 -0.087 0.000 2.377 306 R HA 0.077 4.417 4.340 -0.000 0.000 0.207 306 R C 1.707 177.975 176.300 -0.052 0.000 1.075 306 R CA 1.074 57.123 56.100 -0.084 0.000 1.035 306 R CB -1.185 29.096 30.300 -0.031 0.000 0.857 306 R HN 0.373 nan 8.270 nan 0.000 0.475 307 A N 1.056 123.839 122.820 -0.061 0.000 1.855 307 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 307 A C 0.264 177.610 177.584 -0.396 0.000 1.191 307 A CA 0.585 52.456 52.037 -0.277 0.000 0.613 307 A CB -0.335 18.371 19.000 -0.489 0.000 0.829 307 A HN 0.286 nan 8.150 nan 0.000 0.442 308 F N -2.346 117.505 119.950 -0.165 0.000 2.399 308 F HA 0.620 5.147 4.527 -0.001 0.000 0.334 308 F C 0.836 176.482 175.800 -0.257 0.000 1.097 308 F CA -0.137 57.698 58.000 -0.274 0.000 1.076 308 F CB 1.670 40.380 39.000 -0.483 0.000 1.162 308 F HN 0.169 nan 8.300 nan 0.000 0.495 309 A N 1.572 124.336 122.820 -0.094 0.000 2.590 309 A HA 0.574 4.893 4.320 -0.000 0.000 0.153 309 A C 0.407 177.917 177.584 -0.123 0.000 1.705 309 A CA 0.176 52.149 52.037 -0.106 0.000 1.228 309 A CB -0.584 18.358 19.000 -0.096 0.000 1.463 309 A HN 1.866 nan 8.150 nan 0.000 0.425 310 A N -1.176 121.554 122.820 -0.149 0.000 4.068 310 A HA 0.406 4.726 4.320 -0.000 0.000 0.225 310 A C 0.156 177.645 177.584 -0.158 0.000 1.193 310 A CA 1.311 53.265 52.037 -0.138 0.000 0.802 310 A CB -2.116 16.825 19.000 -0.099 0.000 0.954 310 A HN 1.850 nan 8.150 nan 0.000 0.451 311 D N -0.781 119.480 120.400 -0.232 0.000 2.673 311 D HA 0.749 5.388 4.640 -0.000 0.000 0.278 311 D C 0.463 176.494 176.300 -0.448 0.000 1.393 311 D CA 0.949 54.776 54.000 -0.290 0.000 0.805 311 D CB 0.290 40.909 40.800 -0.302 0.000 1.110 311 D HN 2.390 nan 8.370 nan 0.000 0.476 312 V N -2.774 116.912 119.914 -0.380 0.000 2.972 312 V HA 0.380 4.500 4.120 -0.000 0.000 0.256 312 V C 1.107 177.117 176.094 -0.139 0.000 1.564 312 V CA -0.070 61.974 62.300 -0.427 0.000 0.895 312 V CB -0.781 30.274 31.823 -1.280 0.000 1.143 312 V HN 1.018 nan 8.190 nan 0.000 0.480 313 W N 2.681 123.982 121.300 0.001 0.000 2.287 313 W HA 0.108 4.768 4.660 -0.000 0.000 0.282 313 W C 1.305 177.874 176.519 0.085 0.000 1.184 313 W CA 2.514 59.893 57.345 0.056 0.000 1.164 313 W CB -1.292 28.223 29.460 0.092 0.000 1.133 313 W HN 2.428 nan 8.180 nan 0.000 0.563 314 V N 0.374 120.356 119.914 0.114 0.000 3.189 314 V HA 0.611 4.730 4.120 -0.000 0.000 0.366 314 V C 0.853 177.002 176.094 0.091 0.000 1.313 314 V CA 0.672 63.058 62.300 0.143 0.000 1.302 314 V CB -0.424 31.543 31.823 0.241 0.000 1.260 314 V HN 1.048 nan 8.190 nan 0.000 0.484 315 V N 0.516 120.451 119.914 0.035 0.000 2.287 315 V HA 0.537 4.657 4.120 -0.000 0.000 0.246 315 V C 1.557 177.674 176.094 0.038 0.000 1.165 315 V CA 0.874 63.174 62.300 0.000 0.000 1.088 315 V CB -0.065 31.723 31.823 -0.058 0.000 1.242 315 V HN 0.771 nan 8.190 nan 0.000 0.497 316 I N 3.297 123.929 120.570 0.105 0.000 2.614 316 I HA 0.029 4.198 4.170 -0.000 0.000 0.258 316 I C 2.493 178.690 176.117 0.133 0.000 1.189 316 I CA 2.433 63.832 61.300 0.166 0.000 1.462 316 I CB -1.234 36.944 38.000 0.296 0.000 1.092 316 I HN 1.021 nan 8.210 nan 0.000 0.442 317 L N -0.031 121.121 121.223 -0.118 0.000 2.217 317 L HA 0.322 4.662 4.340 -0.000 0.000 0.211 317 L C 2.816 179.627 176.870 -0.097 0.000 1.107 317 L CA 2.195 56.815 54.840 -0.368 0.000 0.783 317 L CB -1.889 39.642 42.059 -0.879 0.000 0.919 317 L HN 0.886 nan 8.230 nan 0.000 0.442 318 V N -0.652 119.225 119.914 -0.061 0.000 3.041 318 V HA 0.054 4.174 4.120 -0.000 0.000 0.260 318 V C 2.019 178.122 176.094 0.016 0.000 1.105 318 V CA 2.792 65.076 62.300 -0.025 0.000 1.125 318 V CB -1.211 30.596 31.823 -0.026 0.000 0.730 318 V HN 0.669 nan 8.190 nan 0.000 0.479 319 D N -0.541 119.887 120.400 0.047 0.000 2.338 319 D HA 0.181 4.820 4.640 -0.000 0.000 0.224 319 D C 2.178 178.528 176.300 0.083 0.000 0.967 319 D CA 0.866 54.905 54.000 0.065 0.000 0.896 319 D CB -0.495 40.354 40.800 0.082 0.000 1.028 319 D HN 0.607 nan 8.370 nan 0.000 0.493 320 G N -0.133 108.749 108.800 0.138 0.000 2.615 320 G HA2 0.196 4.156 3.960 -0.000 0.000 0.213 320 G HA3 0.196 4.156 3.960 -0.000 0.000 0.213 320 G C 1.634 176.592 174.900 0.096 0.000 1.135 320 G CA 1.371 46.565 45.100 0.156 0.000 0.772 320 G HN 1.150 nan 8.290 nan 0.000 0.542 321 L N -0.809 120.455 121.223 0.067 0.000 2.610 321 L HA 0.557 4.896 4.340 -0.000 0.000 0.232 321 L C 2.815 179.698 176.870 0.021 0.000 1.149 321 L CA 2.183 57.045 54.840 0.036 0.000 0.872 321 L CB -1.941 40.132 42.059 0.022 0.000 0.992 321 L HN 0.399 nan 8.230 nan 0.000 0.447 322 T N -1.308 113.262 114.554 0.027 0.000 2.652 322 T HA 0.085 4.435 4.350 -0.000 0.000 0.267 322 T C 1.519 176.221 174.700 0.003 0.000 1.039 322 T CA 2.007 64.117 62.100 0.016 0.000 1.153 322 T CB -0.919 67.962 68.868 0.021 0.000 0.863 322 T HN 1.458 nan 8.240 nan 0.000 0.428 323 F N 2.670 122.617 119.950 -0.004 0.000 2.613 323 F HA 0.541 5.067 4.527 -0.000 0.000 0.341 323 F C 1.304 177.088 175.800 -0.027 0.000 1.288 323 F CA -1.062 56.923 58.000 -0.025 0.000 1.103 323 F CB -0.986 37.986 39.000 -0.047 0.000 1.423 323 F HN 0.411 nan 8.300 nan 0.000 0.651 324 G N 1.019 109.807 108.800 -0.020 0.000 2.991 324 G HA2 0.469 4.428 3.960 -0.000 0.000 0.262 324 G HA3 0.469 4.428 3.960 -0.000 0.000 0.262 324 G C 0.407 175.290 174.900 -0.028 0.000 0.765 324 G CA 1.005 46.094 45.100 -0.018 0.000 2.051 324 G HN 2.328 nan 8.290 nan 0.000 0.602 325 I N -2.363 118.181 120.570 -0.043 0.000 2.613 325 I HA 0.590 4.759 4.170 -0.000 0.000 0.312 325 I C -0.059 175.998 176.117 -0.101 0.000 1.276 325 I CA 0.178 61.443 61.300 -0.058 0.000 0.701 325 I CB -0.528 37.435 38.000 -0.062 0.000 2.842 325 I HN 1.064 nan 8.210 nan 0.000 0.821 326 V N -1.240 118.618 119.914 -0.093 0.000 3.161 326 V HA 0.749 4.869 4.120 -0.000 0.000 0.263 326 V C -0.956 175.125 176.094 -0.021 0.000 0.838 326 V CA 0.806 63.014 62.300 -0.153 0.000 1.057 326 V CB 0.247 31.888 31.823 -0.304 0.000 0.943 326 V HN 1.582 nan 8.190 nan 0.000 0.500 327 D N 1.409 121.838 120.400 0.048 0.000 2.531 327 D HA 1.044 5.684 4.640 -0.000 0.000 0.244 327 D C 0.816 177.190 176.300 0.123 0.000 1.090 327 D CA 0.571 54.632 54.000 0.101 0.000 0.989 327 D CB 2.070 42.898 40.800 0.046 0.000 1.433 327 D HN 2.452 nan 8.370 nan 0.000 0.492 328 A N 0.500 123.372 122.820 0.087 0.000 5.213 328 A HA -0.396 3.924 4.320 -0.000 0.000 0.347 328 A C 2.195 179.836 177.584 0.095 0.000 1.682 328 A CA 3.534 55.593 52.037 0.036 0.000 0.701 328 A CB -1.969 17.030 19.000 -0.003 0.000 1.474 328 A HN 1.658 nan 8.150 nan 0.000 0.405 329 K N -1.582 118.849 120.400 0.051 0.000 2.067 329 K HA -0.303 4.016 4.320 -0.000 0.000 0.226 329 K C 1.792 178.409 176.600 0.027 0.000 1.046 329 K CA 3.159 59.459 56.287 0.022 0.000 0.967 329 K CB -0.569 31.943 32.500 0.020 0.000 0.749 329 K HN 0.743 nan 8.250 nan 0.000 0.456 330 F N 0.548 120.483 119.950 -0.025 0.000 2.031 330 F HA -0.186 4.341 4.527 -0.000 0.000 0.295 330 F C 2.285 178.065 175.800 -0.033 0.000 1.133 330 F CA 1.961 59.927 58.000 -0.055 0.000 1.188 330 F CB -0.944 38.025 39.000 -0.051 0.000 0.974 330 F HN 0.236 nan 8.300 nan 0.000 0.473 331 F N 0.603 120.668 119.950 0.192 0.000 2.135 331 F HA -0.289 4.237 4.527 -0.001 0.000 0.300 331 F C 2.140 177.837 175.800 -0.171 0.000 1.074 331 F CA 1.706 59.706 58.000 0.001 0.000 1.262 331 F CB -0.855 38.088 39.000 -0.095 0.000 1.013 331 F HN 0.070 nan 8.300 nan 0.000 0.489 332 G N 0.083 109.009 108.800 0.210 0.000 2.616 332 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 332 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 332 G C 1.562 176.397 174.900 -0.109 0.000 1.284 332 G CA 1.904 47.047 45.100 0.071 0.000 0.823 332 G HN 0.388 nan 8.290 nan 0.000 0.569 333 V N 1.608 121.366 119.914 -0.259 0.000 2.242 333 V HA -0.338 3.781 4.120 -0.000 0.000 0.257 333 V C 2.658 178.436 176.094 -0.527 0.000 1.073 333 V CA 2.080 64.087 62.300 -0.489 0.000 1.058 333 V CB -1.190 30.189 31.823 -0.740 0.000 0.664 333 V HN 0.447 nan 8.190 nan 0.000 0.451 334 I N 1.756 122.022 120.570 -0.508 0.000 2.076 334 I HA -0.269 3.900 4.170 -0.000 0.000 0.237 334 I C 2.652 178.701 176.117 -0.115 0.000 1.059 334 I CA 2.751 63.886 61.300 -0.274 0.000 1.317 334 I CB -1.331 36.653 38.000 -0.026 0.000 1.037 334 I HN 0.392 nan 8.210 nan 0.000 0.398 335 A N 1.841 124.549 122.820 -0.187 0.000 1.873 335 A HA -0.373 3.947 4.320 -0.000 0.000 0.219 335 A C 2.552 180.128 177.584 -0.014 0.000 1.269 335 A CA 3.093 55.017 52.037 -0.188 0.000 0.671 335 A CB -1.300 17.485 19.000 -0.358 0.000 0.842 335 A HN 0.729 nan 8.150 nan 0.000 0.460 336 M N -1.911 117.686 119.600 -0.004 0.000 2.352 336 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 336 M C 2.044 178.408 176.300 0.106 0.000 1.068 336 M CA 2.747 58.081 55.300 0.057 0.000 1.082 336 M CB -0.523 32.118 32.600 0.067 0.000 1.262 336 M HN 0.356 nan 8.290 nan 0.000 0.444 337 F N 0.639 120.490 119.950 -0.165 0.000 2.085 337 F HA -0.195 4.332 4.527 -0.001 0.000 0.299 337 F C 2.623 178.367 175.800 -0.095 0.000 1.096 337 F CA 1.685 59.575 58.000 -0.184 0.000 1.227 337 F CB -1.772 37.119 39.000 -0.181 0.000 0.983 337 F HN 0.369 nan 8.300 nan 0.000 0.482 338 G N -0.943 107.981 108.800 0.207 0.000 2.453 338 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 338 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 338 G C 1.933 177.020 174.900 0.311 0.000 1.201 338 G CA 1.327 46.561 45.100 0.222 0.000 0.784 338 G HN 0.534 nan 8.290 nan 0.000 0.545 339 A N 0.647 123.781 122.820 0.523 0.000 1.971 339 A HA -0.137 4.183 4.320 -0.000 0.000 0.222 339 A C 2.413 180.207 177.584 0.350 0.000 1.182 339 A CA 1.682 54.083 52.037 0.607 0.000 0.649 339 A CB -0.397 18.730 19.000 0.212 0.000 0.818 339 A HN 0.424 nan 8.150 nan 0.000 0.458 340 I N -0.885 119.710 120.570 0.041 0.000 2.110 340 I HA -0.256 3.914 4.170 -0.000 0.000 0.236 340 I C 3.065 179.196 176.117 0.024 0.000 1.068 340 I CA 1.037 62.291 61.300 -0.077 0.000 1.333 340 I CB -0.785 36.985 38.000 -0.384 0.000 1.054 340 I HN 0.398 nan 8.210 nan 0.000 0.402 341 A N 1.031 123.842 122.820 -0.014 0.000 1.909 341 A HA -0.276 4.044 4.320 -0.000 0.000 0.221 341 A C 2.364 179.985 177.584 0.062 0.000 1.223 341 A CA 2.818 54.853 52.037 -0.005 0.000 0.658 341 A CB -1.394 17.601 19.000 -0.007 0.000 0.831 341 A HN 0.321 nan 8.150 nan 0.000 0.462 342 V N -0.558 119.423 119.914 0.112 0.000 2.277 342 V HA -0.445 3.675 4.120 -0.000 0.000 0.253 342 V C 2.559 178.893 176.094 0.399 0.000 1.067 342 V CA 2.665 65.086 62.300 0.202 0.000 1.047 342 V CB -0.953 30.993 31.823 0.206 0.000 0.649 342 V HN 0.629 nan 8.190 nan 0.000 0.447 343 M N -0.185 119.629 119.600 0.355 0.000 2.103 343 M HA -0.295 4.184 4.480 -0.000 0.000 0.255 343 M C 2.384 179.023 176.300 0.567 0.000 1.074 343 M CA 2.517 58.206 55.300 0.649 0.000 1.090 343 M CB -0.678 32.093 32.600 0.285 0.000 1.325 343 M HN 0.467 nan 8.290 nan 0.000 0.403 344 A N 0.443 123.420 122.820 0.261 0.000 1.859 344 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 344 A C 1.852 179.600 177.584 0.273 0.000 1.209 344 A CA 1.795 53.956 52.037 0.207 0.000 0.639 344 A CB -1.073 17.919 19.000 -0.015 0.000 0.835 344 A HN 0.404 nan 8.150 nan 0.000 0.450 345 L N -0.521 120.724 121.223 0.036 0.000 2.197 345 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 345 L C 2.874 179.736 176.870 -0.014 0.000 1.095 345 L CA 1.589 56.337 54.840 -0.153 0.000 0.764 345 L CB -1.976 40.025 42.059 -0.096 0.000 0.897 345 L HN 0.555 nan 8.230 nan 0.000 0.436 346 A N 0.027 122.907 122.820 0.100 0.000 1.771 346 A HA -0.357 3.963 4.320 -0.000 0.000 0.290 346 A C 0.214 177.741 177.584 -0.096 0.000 3.024 346 A CA 3.009 54.929 52.037 -0.194 0.000 0.911 346 A CB -2.454 16.323 19.000 -0.372 0.000 0.802 346 A HN 0.344 nan 8.150 nan 0.000 0.514 347 P HA -0.213 nan 4.420 nan 0.000 0.210 347 P C 0.863 178.415 177.300 0.419 0.000 1.151 347 P CA 1.974 65.323 63.100 0.415 0.000 0.949 347 P CB -0.493 31.499 31.700 0.488 0.000 0.786 348 W N -1.040 120.286 121.300 0.043 0.000 2.596 348 W HA -0.021 4.638 4.660 -0.001 0.000 0.255 348 W C 1.584 178.105 176.519 0.003 0.000 1.232 348 W CA 0.569 57.929 57.345 0.024 0.000 1.230 348 W CB -1.831 27.651 29.460 0.038 0.000 1.141 348 W HN 0.078 nan 8.180 nan 0.000 0.628 349 L N -1.110 120.229 121.223 0.193 0.000 2.701 349 L HA 0.163 4.503 4.340 -0.000 0.000 0.238 349 L C 0.169 177.047 176.870 0.013 0.000 1.106 349 L CA 0.102 54.978 54.840 0.060 0.000 0.898 349 L CB 0.108 42.152 42.059 -0.025 0.000 1.188 349 L HN -0.330 nan 8.230 nan 0.000 0.508 350 D N 1.133 121.572 120.400 0.065 0.000 2.412 350 D HA 0.130 4.770 4.640 -0.000 0.000 0.224 350 D C -0.113 176.181 176.300 -0.009 0.000 1.093 350 D CA -0.206 53.812 54.000 0.030 0.000 0.850 350 D CB 0.975 41.847 40.800 0.120 0.000 1.046 350 D HN -0.047 nan 8.370 nan 0.000 0.507 351 T N 1.000 115.536 114.554 -0.030 0.000 2.811 351 T HA 0.548 4.898 4.350 -0.000 0.000 0.309 351 T C -0.165 174.502 174.700 -0.055 0.000 1.005 351 T CA -0.853 61.223 62.100 -0.040 0.000 0.955 351 T CB 0.437 69.287 68.868 -0.030 0.000 0.970 351 T HN 0.159 nan 8.240 nan 0.000 0.496 352 S N 2.280 117.937 115.700 -0.073 0.000 2.551 352 S HA 0.166 4.636 4.470 -0.000 0.000 0.325 352 S C -0.279 174.262 174.600 -0.098 0.000 0.963 352 S CA -0.872 57.281 58.200 -0.078 0.000 0.876 352 S CB 0.500 63.648 63.200 -0.087 0.000 1.132 352 S HN 0.524 nan 8.310 nan 0.000 0.458 353 K N 3.064 123.416 120.400 -0.080 0.000 3.120 353 K HA 0.148 4.468 4.320 -0.000 0.000 0.275 353 K C 0.402 176.949 176.600 -0.088 0.000 0.914 353 K CA 0.232 56.468 56.287 -0.084 0.000 1.125 353 K CB -0.971 31.489 32.500 -0.066 0.000 1.053 353 K HN 0.419 nan 8.250 nan 0.000 0.450 354 V N -0.450 119.398 119.914 -0.111 0.000 3.204 354 V HA 0.474 4.593 4.120 -0.000 0.000 0.316 354 V C 0.847 176.845 176.094 -0.160 0.000 1.160 354 V CA -1.065 61.173 62.300 -0.104 0.000 1.044 354 V CB 2.103 33.876 31.823 -0.084 0.000 1.136 354 V HN 0.125 nan 8.190 nan 0.000 0.455 355 R N -0.523 119.894 120.500 -0.139 0.000 2.642 355 R HA 0.400 4.739 4.340 -0.000 0.000 0.103 355 R C 0.233 176.391 176.300 -0.237 0.000 1.144 355 R CA -0.537 55.450 56.100 -0.188 0.000 0.955 355 R CB -0.668 29.558 30.300 -0.123 0.000 0.817 355 R HN 0.607 nan 8.270 nan 0.000 0.381 356 S N 1.901 117.438 115.700 -0.272 0.000 3.712 356 S HA -0.062 4.408 4.470 -0.000 0.000 0.442 356 S C 1.299 175.616 174.600 -0.471 0.000 1.086 356 S CA 0.522 58.416 58.200 -0.510 0.000 1.356 356 S CB -0.316 62.414 63.200 -0.783 0.000 0.876 356 S HN 0.664 nan 8.310 nan 0.000 0.547 357 G N 2.982 111.574 108.800 -0.347 0.000 2.568 357 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.220 357 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.220 357 G C 1.391 176.326 174.900 0.059 0.000 1.104 357 G CA 0.579 45.743 45.100 0.105 0.000 0.738 357 G HN 0.863 nan 8.290 nan 0.000 0.574 358 A N -0.259 122.338 122.820 -0.373 0.000 2.131 358 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 358 A C 1.282 178.672 177.584 -0.324 0.000 1.158 358 A CA 0.903 52.706 52.037 -0.390 0.000 0.665 358 A CB -0.310 18.213 19.000 -0.796 0.000 0.795 358 A HN 0.423 nan 8.150 nan 0.000 0.460 359 Y N -1.241 119.059 120.300 -0.000 0.000 2.720 359 Y HA 0.442 4.992 4.550 -0.000 0.000 0.268 359 Y C 0.415 176.339 175.900 0.039 0.000 1.142 359 Y CA -0.766 57.332 58.100 -0.002 0.000 1.193 359 Y CB 0.080 38.508 38.460 -0.054 0.000 1.176 359 Y HN 0.172 nan 8.280 nan 0.000 0.542 360 R N -0.042 120.581 120.500 0.204 0.000 2.984 360 R HA 0.217 4.556 4.340 -0.000 0.000 0.252 360 R C -2.543 173.958 176.300 0.335 0.000 1.842 360 R CA -1.300 54.941 56.100 0.236 0.000 1.389 360 R CB 1.251 31.665 30.300 0.190 0.000 1.454 360 R HN -0.003 nan 8.270 nan 0.000 0.578 361 P HA -0.297 nan 4.420 nan 0.000 0.209 361 P C 0.836 178.317 177.300 0.301 0.000 1.167 361 P CA 1.537 64.774 63.100 0.229 0.000 0.941 361 P CB 0.262 32.057 31.700 0.159 0.000 0.787 362 K N -1.890 118.709 120.400 0.330 0.000 2.107 362 K HA -0.245 4.075 4.320 -0.000 0.000 0.211 362 K C 2.087 179.093 176.600 0.677 0.000 1.049 362 K CA 1.773 58.353 56.287 0.489 0.000 0.927 362 K CB -0.976 31.815 32.500 0.486 0.000 0.714 362 K HN 0.099 nan 8.250 nan 0.000 0.452 363 F N 2.119 122.330 119.950 0.436 0.000 2.011 363 F HA -0.271 4.255 4.527 -0.001 0.000 0.296 363 F C 2.285 178.446 175.800 0.602 0.000 1.144 363 F CA 1.682 59.982 58.000 0.500 0.000 1.185 363 F CB -0.507 38.725 39.000 0.387 0.000 0.961 363 F HN -0.076 nan 8.300 nan 0.000 0.485 364 R N -0.018 120.765 120.500 0.472 0.000 2.191 364 R HA -0.328 4.011 4.340 -0.000 0.000 0.248 364 R C 2.373 178.842 176.300 0.282 0.000 1.127 364 R CA 2.488 58.772 56.100 0.307 0.000 0.943 364 R CB -1.070 29.359 30.300 0.214 0.000 0.891 364 R HN 0.500 nan 8.270 nan 0.000 0.439 365 M N 0.112 119.823 119.600 0.185 0.000 2.315 365 M HA -0.233 4.247 4.480 -0.000 0.000 0.264 365 M C 1.816 178.182 176.300 0.112 0.000 1.075 365 M CA 2.067 57.360 55.300 -0.012 0.000 1.093 365 M CB -0.410 32.042 32.600 -0.247 0.000 1.251 365 M HN 0.184 nan 8.290 nan 0.000 0.449 366 W N 0.054 121.549 121.300 0.326 0.000 2.290 366 W HA -0.286 4.374 4.660 -0.001 0.000 0.311 366 W C 2.243 179.159 176.519 0.662 0.000 1.238 366 W CA 1.793 59.484 57.345 0.577 0.000 1.255 366 W CB -1.184 28.576 29.460 0.499 0.000 1.145 366 W HN 0.420 nan 8.180 nan 0.000 0.506 367 F N -0.659 119.575 119.950 0.474 0.000 2.046 367 F HA -0.245 4.282 4.527 -0.001 0.000 0.297 367 F C 1.988 177.883 175.800 0.159 0.000 1.123 367 F CA 2.008 60.138 58.000 0.217 0.000 1.199 367 F CB -0.904 37.889 39.000 -0.346 0.000 0.972 367 F HN -0.199 nan 8.300 nan 0.000 0.474 368 W N 0.099 121.593 121.300 0.322 0.000 2.342 368 W HA -0.159 4.501 4.660 -0.000 0.000 0.297 368 W C 2.564 179.159 176.519 0.128 0.000 1.213 368 W CA 1.624 59.056 57.345 0.146 0.000 1.251 368 W CB -1.213 28.299 29.460 0.086 0.000 1.136 368 W HN 0.087 nan 8.180 nan 0.000 0.526 369 F N -0.435 119.619 119.950 0.174 0.000 2.161 369 F HA -0.308 4.218 4.527 -0.001 0.000 0.300 369 F C 2.279 178.068 175.800 -0.018 0.000 1.089 369 F CA 0.679 58.683 58.000 0.006 0.000 1.282 369 F CB -0.408 38.581 39.000 -0.018 0.000 1.010 369 F HN -0.130 nan 8.300 nan 0.000 0.485 370 L N 0.214 121.648 121.223 0.352 0.000 1.961 370 L HA -0.149 4.190 4.340 -0.000 0.000 0.209 370 L C 2.312 179.237 176.870 0.093 0.000 1.075 370 L CA 1.635 56.638 54.840 0.271 0.000 0.749 370 L CB -1.603 40.333 42.059 -0.205 0.000 0.890 370 L HN 0.022 nan 8.230 nan 0.000 0.433 371 V N 0.259 119.985 119.914 -0.312 0.000 2.277 371 V HA -0.308 3.811 4.120 -0.000 0.000 0.253 371 V C 2.713 178.686 176.094 -0.202 0.000 1.067 371 V CA 2.343 64.245 62.300 -0.662 0.000 1.047 371 V CB -0.645 30.420 31.823 -1.264 0.000 0.649 371 V HN 0.631 nan 8.190 nan 0.000 0.447 372 L N 0.284 121.437 121.223 -0.117 0.000 1.989 372 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 372 L C 2.349 179.255 176.870 0.060 0.000 1.071 372 L CA 3.210 58.046 54.840 -0.006 0.000 0.749 372 L CB -1.619 40.481 42.059 0.068 0.000 0.890 372 L HN 0.659 nan 8.230 nan 0.000 0.431 373 D N -0.838 119.613 120.400 0.085 0.000 2.127 373 D HA -0.355 4.284 4.640 -0.000 0.000 0.190 373 D C 2.150 178.604 176.300 0.256 0.000 1.000 373 D CA 2.193 56.287 54.000 0.156 0.000 0.839 373 D CB -0.422 40.574 40.800 0.327 0.000 0.955 373 D HN 0.359 nan 8.370 nan 0.000 0.446 374 F N 0.450 120.562 119.950 0.270 0.000 2.048 374 F HA -0.325 4.201 4.527 -0.001 0.000 0.296 374 F C 2.324 178.187 175.800 0.105 0.000 1.109 374 F CA 1.962 60.130 58.000 0.279 0.000 1.214 374 F CB -0.832 38.421 39.000 0.421 0.000 0.963 374 F HN -0.023 nan 8.300 nan 0.000 0.491 375 V N -0.051 120.021 119.914 0.263 0.000 2.231 375 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 375 V C 2.383 178.522 176.094 0.075 0.000 1.054 375 V CA 2.045 64.423 62.300 0.130 0.000 1.015 375 V CB -0.780 31.093 31.823 0.082 0.000 0.638 375 V HN 0.353 nan 8.190 nan 0.000 0.444 376 V N -0.453 119.509 119.914 0.080 0.000 2.252 376 V HA -0.349 3.771 4.120 -0.000 0.000 0.255 376 V C 2.336 178.542 176.094 0.187 0.000 1.071 376 V CA 2.199 64.584 62.300 0.142 0.000 1.050 376 V CB -0.803 31.075 31.823 0.091 0.000 0.654 376 V HN 0.402 nan 8.190 nan 0.000 0.448 377 L N 0.230 121.473 121.223 0.033 0.000 1.933 377 L HA -0.212 4.128 4.340 -0.000 0.000 0.220 377 L C 2.654 179.453 176.870 -0.117 0.000 1.078 377 L CA 3.020 57.810 54.840 -0.084 0.000 0.773 377 L CB -1.731 40.172 42.059 -0.260 0.000 0.890 377 L HN 0.450 nan 8.230 nan 0.000 0.434 378 T N -1.399 113.007 114.554 -0.246 0.000 2.848 378 T HA -0.265 4.085 4.350 -0.000 0.000 0.269 378 T C 1.219 175.918 174.700 -0.001 0.000 1.081 378 T CA 1.617 63.603 62.100 -0.189 0.000 1.125 378 T CB -0.423 68.324 68.868 -0.201 0.000 0.848 378 T HN 0.571 nan 8.240 nan 0.000 0.503 379 W N 1.535 122.771 121.300 -0.106 0.000 2.484 379 W HA -0.010 4.650 4.660 -0.001 0.000 0.320 379 W C 2.012 178.500 176.519 -0.052 0.000 1.159 379 W CA 0.116 57.427 57.345 -0.056 0.000 1.352 379 W CB -0.928 28.518 29.460 -0.023 0.000 1.185 379 W HN -0.082 nan 8.180 nan 0.000 0.470 380 V N 2.465 122.283 119.914 -0.160 0.000 2.418 380 V HA -0.338 3.782 4.120 -0.000 0.000 0.258 380 V C 2.399 178.291 176.094 -0.337 0.000 1.088 380 V CA 2.194 64.251 62.300 -0.405 0.000 1.091 380 V CB -1.865 29.894 31.823 -0.106 0.000 0.669 380 V HN 0.558 nan 8.190 nan 0.000 0.461 381 G N -1.203 107.444 108.800 -0.255 0.000 2.631 381 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.221 381 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.221 381 G C 1.354 175.932 174.900 -0.537 0.000 1.095 381 G CA 1.333 46.217 45.100 -0.359 0.000 0.727 381 G HN 0.723 nan 8.290 nan 0.000 0.587 382 A N -0.621 121.936 122.820 -0.437 0.000 1.997 382 A HA 0.497 4.817 4.320 -0.000 0.000 0.198 382 A C 1.160 178.501 177.584 -0.406 0.000 1.449 382 A CA -0.078 51.714 52.037 -0.409 0.000 0.908 382 A CB 0.100 18.916 19.000 -0.308 0.000 0.984 382 A HN 0.193 nan 8.150 nan 0.000 0.487 383 M N 2.681 121.979 119.600 -0.503 0.000 2.290 383 M HA 0.131 4.610 4.480 -0.000 0.000 0.356 383 M C -2.395 173.636 176.300 -0.448 0.000 1.448 383 M CA -2.266 52.687 55.300 -0.577 0.000 0.993 383 M CB -0.831 31.375 32.600 -0.657 0.000 1.934 383 M HN 0.174 nan 8.290 nan 0.000 0.461 384 P HA 0.057 nan 4.420 nan 0.000 0.271 384 P C 0.340 177.507 177.300 -0.222 0.000 1.216 384 P CA -0.056 62.877 63.100 -0.278 0.000 0.771 384 P CB -0.145 31.417 31.700 -0.230 0.000 0.864 385 T N -0.378 114.117 114.554 -0.098 0.000 3.813 385 T HA -0.154 4.195 4.350 -0.000 0.000 0.272 385 T C 0.273 174.975 174.700 0.005 0.000 1.181 385 T CA 0.723 62.799 62.100 -0.039 0.000 1.768 385 T CB -1.168 67.672 68.868 -0.045 0.000 0.958 385 T HN 0.470 nan 8.240 nan 0.000 0.560 386 E N -0.190 120.044 120.200 0.056 0.000 2.249 386 E HA 0.310 4.660 4.350 -0.000 0.000 0.263 386 E C -0.655 176.170 176.600 0.376 0.000 0.950 386 E CA -1.236 55.259 56.400 0.159 0.000 0.827 386 E CB 1.318 31.080 29.700 0.104 0.000 1.220 386 E HN 0.535 nan 8.360 nan 0.000 0.411 387 Y N 3.522 123.916 120.300 0.156 0.000 2.805 387 Y HA -0.008 4.542 4.550 -0.001 0.000 0.331 387 Y C -1.480 174.540 175.900 0.200 0.000 1.241 387 Y CA -1.145 57.052 58.100 0.162 0.000 1.546 387 Y CB 0.742 39.280 38.460 0.130 0.000 1.248 387 Y HN 0.351 nan 8.280 nan 0.000 0.559 388 P HA 0.064 nan 4.420 nan 0.000 0.278 388 P C -0.014 177.320 177.300 0.058 0.000 1.502 388 P CA 0.120 63.452 63.100 0.386 0.000 1.114 388 P CB 0.022 31.970 31.700 0.413 0.000 1.541 389 Y N 2.184 122.564 120.300 0.133 0.000 2.256 389 Y HA -0.278 4.271 4.550 -0.000 0.000 0.288 389 Y C 2.222 178.111 175.900 -0.019 0.000 1.155 389 Y CA 2.027 60.131 58.100 0.006 0.000 1.203 389 Y CB -1.126 37.275 38.460 -0.098 0.000 0.980 389 Y HN 0.149 nan 8.280 nan 0.000 0.530 390 D N -1.702 118.744 120.400 0.078 0.000 2.077 390 D HA -0.266 4.374 4.640 -0.000 0.000 0.193 390 D C 1.848 178.092 176.300 -0.094 0.000 0.989 390 D CA 1.436 55.381 54.000 -0.093 0.000 0.831 390 D CB -1.198 39.461 40.800 -0.233 0.000 0.979 390 D HN 0.384 nan 8.370 nan 0.000 0.449 391 W N 0.912 122.143 121.300 -0.115 0.000 2.302 391 W HA -0.196 4.463 4.660 -0.000 0.000 0.320 391 W C 2.517 178.986 176.519 -0.083 0.000 1.241 391 W CA 0.888 58.159 57.345 -0.123 0.000 1.264 391 W CB -0.333 29.035 29.460 -0.153 0.000 1.154 391 W HN -0.029 nan 8.180 nan 0.000 0.483 392 I N -0.367 120.333 120.570 0.218 0.000 2.087 392 I HA -0.444 3.726 4.170 -0.000 0.000 0.240 392 I C 2.465 178.637 176.117 0.092 0.000 1.054 392 I CA 1.809 63.194 61.300 0.140 0.000 1.311 392 I CB -1.258 36.824 38.000 0.137 0.000 1.024 392 I HN -0.094 nan 8.210 nan 0.000 0.402 393 S N 0.845 116.565 115.700 0.033 0.000 2.380 393 S HA -0.249 4.220 4.470 -0.000 0.000 0.229 393 S C 1.826 176.370 174.600 -0.094 0.000 1.050 393 S CA 1.752 59.922 58.200 -0.050 0.000 1.100 393 S CB -0.569 62.560 63.200 -0.118 0.000 0.984 393 S HN 0.178 nan 8.310 nan 0.000 0.434 394 L N 1.560 122.712 121.223 -0.119 0.000 1.934 394 L HA -0.192 4.147 4.340 -0.000 0.000 0.227 394 L C 2.314 179.212 176.870 0.047 0.000 1.084 394 L CA 2.201 56.968 54.840 -0.121 0.000 0.790 394 L CB -1.162 40.886 42.059 -0.019 0.000 0.896 394 L HN 0.539 nan 8.230 nan 0.000 0.437 395 I N -2.196 118.468 120.570 0.157 0.000 2.147 395 I HA -0.376 3.794 4.170 -0.000 0.000 0.245 395 I C 2.397 178.630 176.117 0.193 0.000 1.059 395 I CA 2.089 63.492 61.300 0.171 0.000 1.320 395 I CB -1.096 36.974 38.000 0.116 0.000 1.021 395 I HN 0.231 nan 8.210 nan 0.000 0.415 396 A N 0.916 123.821 122.820 0.142 0.000 1.841 396 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 396 A C 2.467 180.212 177.584 0.268 0.000 1.199 396 A CA 2.758 54.905 52.037 0.184 0.000 0.621 396 A CB -1.398 17.667 19.000 0.108 0.000 0.835 396 A HN 0.591 nan 8.150 nan 0.000 0.445 397 S N -0.243 115.529 115.700 0.120 0.000 2.369 397 S HA -0.202 4.267 4.470 -0.000 0.000 0.225 397 S C 2.079 176.852 174.600 0.290 0.000 1.043 397 S CA 2.071 60.335 58.200 0.106 0.000 1.074 397 S CB -0.971 62.166 63.200 -0.104 0.000 0.962 397 S HN 0.742 nan 8.310 nan 0.000 0.433 398 T N 1.338 116.043 114.554 0.252 0.000 2.597 398 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 398 T C 1.497 176.463 174.700 0.443 0.000 1.053 398 T CA 1.957 64.272 62.100 0.360 0.000 1.165 398 T CB -0.839 68.205 68.868 0.294 0.000 0.863 398 T HN 0.468 nan 8.240 nan 0.000 0.427 399 Y N 1.397 121.897 120.300 0.332 0.000 2.014 399 Y HA -0.292 4.258 4.550 -0.001 0.000 0.272 399 Y C 2.439 178.644 175.900 0.509 0.000 1.164 399 Y CA 1.922 60.241 58.100 0.365 0.000 1.114 399 Y CB -0.733 37.888 38.460 0.268 0.000 0.961 399 Y HN 0.362 nan 8.280 nan 0.000 0.489 400 W N 0.466 121.960 121.300 0.324 0.000 2.284 400 W HA -0.401 4.259 4.660 -0.001 0.000 0.337 400 W C 2.198 178.909 176.519 0.321 0.000 1.322 400 W CA 2.608 60.114 57.345 0.268 0.000 1.245 400 W CB -1.472 28.155 29.460 0.279 0.000 1.141 400 W HN 0.282 nan 8.180 nan 0.000 0.465 401 F N 1.130 121.438 119.950 0.597 0.000 2.063 401 F HA -0.310 4.217 4.527 -0.001 0.000 0.298 401 F C 2.765 178.723 175.800 0.263 0.000 1.105 401 F CA 2.897 61.158 58.000 0.434 0.000 1.215 401 F CB -1.445 37.791 39.000 0.394 0.000 0.972 401 F HN 0.017 nan 8.300 nan 0.000 0.483 402 A N -1.655 121.372 122.820 0.345 0.000 1.969 402 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 402 A C 2.109 179.722 177.584 0.050 0.000 1.169 402 A CA 1.268 53.397 52.037 0.153 0.000 0.635 402 A CB -1.455 17.632 19.000 0.144 0.000 0.810 402 A HN 0.557 nan 8.150 nan 0.000 0.445 403 Y N -0.675 119.526 120.300 -0.163 0.000 2.070 403 Y HA -0.279 4.271 4.550 -0.000 0.000 0.280 403 Y C 1.964 177.861 175.900 -0.005 0.000 1.148 403 Y CA 2.330 60.331 58.100 -0.165 0.000 1.125 403 Y CB -0.471 37.872 38.460 -0.195 0.000 0.975 403 Y HN 0.250 nan 8.280 nan 0.000 0.492 404 F N -0.545 119.499 119.950 0.156 0.000 2.216 404 F HA -0.175 4.352 4.527 -0.001 0.000 0.300 404 F C 1.850 177.612 175.800 -0.063 0.000 1.085 404 F CA 0.949 58.977 58.000 0.048 0.000 1.326 404 F CB -0.294 38.688 39.000 -0.031 0.000 1.027 404 F HN 0.178 nan 8.300 nan 0.000 0.497 405 L N -2.197 119.079 121.223 0.089 0.000 2.470 405 L HA 0.124 4.464 4.340 -0.000 0.000 0.219 405 L C 1.860 178.706 176.870 -0.039 0.000 1.071 405 L CA 0.717 55.553 54.840 -0.005 0.000 0.850 405 L CB -0.566 41.464 42.059 -0.049 0.000 1.040 405 L HN -0.069 nan 8.230 nan 0.000 0.475 406 V N -1.449 118.432 119.914 -0.055 0.000 3.001 406 V HA 0.086 4.206 4.120 -0.000 0.000 0.228 406 V C 2.064 178.048 176.094 -0.184 0.000 1.204 406 V CA 0.140 62.388 62.300 -0.088 0.000 1.247 406 V CB 0.616 32.411 31.823 -0.045 0.000 1.093 406 V HN 0.074 nan 8.190 nan 0.000 0.504 407 I N 0.432 120.840 120.570 -0.271 0.000 2.194 407 I HA -0.227 3.943 4.170 -0.000 0.000 0.246 407 I C 2.421 178.288 176.117 -0.417 0.000 1.093 407 I CA 1.843 62.865 61.300 -0.463 0.000 1.355 407 I CB -0.396 37.231 38.000 -0.621 0.000 1.046 407 I HN 0.211 nan 8.210 nan 0.000 0.413 408 L N 2.154 123.125 121.223 -0.421 0.000 1.952 408 L HA -0.197 4.143 4.340 -0.000 0.000 0.231 408 L C -0.042 176.725 176.870 -0.172 0.000 1.088 408 L CA 3.094 57.743 54.840 -0.319 0.000 0.802 408 L CB -2.936 38.934 42.059 -0.314 0.000 0.903 408 L HN 0.148 nan 8.230 nan 0.000 0.439 409 P HA -0.243 nan 4.420 nan 0.000 0.214 409 P C 2.175 179.428 177.300 -0.079 0.000 1.169 409 P CA 1.821 64.872 63.100 -0.081 0.000 0.908 409 P CB -0.243 31.421 31.700 -0.059 0.000 0.791 410 L N -0.625 120.540 121.223 -0.097 0.000 1.990 410 L HA -0.170 4.170 4.340 -0.000 0.000 0.213 410 L C 2.768 179.588 176.870 -0.084 0.000 1.072 410 L CA 1.577 56.366 54.840 -0.086 0.000 0.755 410 L CB -1.058 40.936 42.059 -0.109 0.000 0.889 410 L HN -0.112 nan 8.230 nan 0.000 0.432 411 L N -0.339 120.802 121.223 -0.135 0.000 2.051 411 L HA -0.211 4.129 4.340 -0.000 0.000 0.214 411 L C 2.301 179.164 176.870 -0.011 0.000 1.076 411 L CA 2.237 57.025 54.840 -0.086 0.000 0.758 411 L CB -1.384 40.606 42.059 -0.115 0.000 0.890 411 L HN 0.516 nan 8.230 nan 0.000 0.433 412 G N -0.924 107.855 108.800 -0.035 0.000 2.414 412 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 412 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 412 G C 1.696 176.586 174.900 -0.017 0.000 1.188 412 G CA 0.913 45.996 45.100 -0.028 0.000 0.783 412 G HN 0.588 nan 8.290 nan 0.000 0.537 413 A N 0.466 123.273 122.820 -0.023 0.000 2.042 413 A HA -0.101 4.219 4.320 -0.000 0.000 0.222 413 A C 2.460 180.045 177.584 0.001 0.000 1.167 413 A CA 2.922 54.951 52.037 -0.014 0.000 0.649 413 A CB -0.793 18.197 19.000 -0.017 0.000 0.809 413 A HN 0.666 nan 8.150 nan 0.000 0.457 414 T N -4.692 109.869 114.554 0.012 0.000 3.023 414 T HA 0.181 4.531 4.350 -0.000 0.000 0.253 414 T C 1.241 175.973 174.700 0.053 0.000 1.038 414 T CA 0.447 62.568 62.100 0.035 0.000 0.962 414 T CB 0.228 69.125 68.868 0.049 0.000 1.018 414 T HN 0.279 nan 8.240 nan 0.000 0.521 415 E N 1.740 121.969 120.200 0.048 0.000 2.204 415 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 415 E C 2.032 178.653 176.600 0.036 0.000 0.989 415 E CA 0.519 56.956 56.400 0.062 0.000 0.824 415 E CB -0.126 29.598 29.700 0.041 0.000 0.756 415 E HN 0.383 nan 8.360 nan 0.000 0.477 416 K N 0.358 120.768 120.400 0.017 0.000 1.987 416 K HA -0.140 4.180 4.320 -0.000 0.000 0.216 416 K C -0.756 175.855 176.600 0.018 0.000 1.051 416 K CA 1.298 57.589 56.287 0.006 0.000 0.942 416 K CB -1.359 31.141 32.500 -0.001 0.000 0.722 416 K HN 0.019 nan 8.250 nan 0.000 0.444 417 P HA -0.149 nan 4.420 nan 0.000 0.221 417 P C 0.807 178.133 177.300 0.043 0.000 1.141 417 P CA 1.178 64.297 63.100 0.033 0.000 0.794 417 P CB 0.125 31.850 31.700 0.041 0.000 0.764 418 E N -1.154 119.078 120.200 0.053 0.000 3.349 418 E HA 0.417 4.767 4.350 -0.000 0.000 0.412 418 E C -1.831 174.797 176.600 0.047 0.000 0.363 418 E CA -0.171 56.268 56.400 0.065 0.000 2.411 418 E CB -0.789 28.971 29.700 0.100 0.000 2.217 418 E HN -0.171 nan 8.360 nan 0.000 0.453 419 P HA 0.006 nan 4.420 nan 0.000 0.296 419 P C -0.344 176.964 177.300 0.013 0.000 1.948 419 P CA 2.167 65.292 63.100 0.043 0.000 1.731 419 P CB -1.135 30.571 31.700 0.010 0.000 0.264 420 I N -1.160 119.389 120.570 -0.035 0.000 2.361 420 I HA 0.791 4.961 4.170 -0.000 0.000 0.311 420 I C -1.280 174.696 176.117 -0.234 0.000 1.660 420 I CA 1.169 62.413 61.300 -0.093 0.000 0.753 420 I CB -0.061 37.920 38.000 -0.031 0.000 1.907 420 I HN 1.841 nan 8.210 nan 0.000 0.564 421 P HA 1.176 nan 4.420 nan 0.000 0.409 421 P C -0.777 176.227 177.300 -0.494 0.000 1.220 421 P CA 0.733 63.519 63.100 -0.523 0.000 1.632 421 P CB 0.862 32.014 31.700 -0.913 0.000 3.453 422 A N -1.431 121.160 122.820 -0.381 0.000 3.004 422 A HA 1.045 5.365 4.320 -0.000 0.000 0.276 422 A C 0.617 178.109 177.584 -0.153 0.000 1.011 422 A CA 1.328 53.225 52.037 -0.234 0.000 0.550 422 A CB -0.870 18.031 19.000 -0.165 0.000 1.607 422 A HN 2.734 nan 8.150 nan 0.000 0.762 423 S N -1.941 113.696 115.700 -0.106 0.000 3.896 423 S HA 0.502 4.972 4.470 -0.000 0.000 0.589 423 S C 1.986 176.546 174.600 -0.066 0.000 0.691 423 S CA 1.080 59.232 58.200 -0.080 0.000 1.396 423 S CB -2.599 60.553 63.200 -0.081 0.000 0.831 423 S HN 2.653 nan 8.310 nan 0.000 0.800 424 I N -1.623 118.913 120.570 -0.057 0.000 4.557 424 I HA 0.026 4.196 4.170 -0.000 0.000 0.077 424 I C 1.749 177.835 176.117 -0.050 0.000 0.630 424 I CA 4.036 65.307 61.300 -0.049 0.000 0.724 424 I CB -1.928 36.048 38.000 -0.041 0.000 0.656 424 I HN 2.656 nan 8.210 nan 0.000 0.183 425 E N 1.213 121.383 120.200 -0.049 0.000 2.250 425 E HA 0.829 5.179 4.350 -0.000 0.000 0.265 425 E C -0.016 176.551 176.600 -0.055 0.000 1.033 425 E CA 0.939 57.308 56.400 -0.051 0.000 0.888 425 E CB 0.608 30.280 29.700 -0.046 0.000 1.151 425 E HN 2.511 nan 8.360 nan 0.000 0.412 426 E N -1.080 119.085 120.200 -0.058 0.000 2.355 426 E HA 0.613 4.963 4.350 -0.000 0.000 0.261 426 E C -0.179 176.386 176.600 -0.058 0.000 0.943 426 E CA -0.203 56.162 56.400 -0.057 0.000 0.806 426 E CB 0.849 30.517 29.700 -0.055 0.000 1.286 426 E HN 1.122 nan 8.360 nan 0.000 0.424 427 D N -0.455 119.912 120.400 -0.056 0.000 2.441 427 D HA 0.549 5.189 4.640 -0.000 0.000 0.221 427 D C 0.548 176.811 176.300 -0.061 0.000 1.156 427 D CA -0.058 53.908 54.000 -0.055 0.000 0.896 427 D CB -1.011 39.759 40.800 -0.049 0.000 1.028 427 D HN 1.197 nan 8.370 nan 0.000 0.509 428 F N 0.000 119.908 119.950 -0.070 0.000 2.286 428 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 428 F CA 0.000 57.951 58.000 -0.082 0.000 1.383 428 F CB 0.000 38.945 39.000 -0.091 0.000 1.145 428 F HN 0.000 nan 8.300 nan 0.000 0.574