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 1wmf_1_A DATA FIRST_RESID 1 DATA SEQUENCE NDVARGIVKA DVAQSSYGLY GQGQIVAVAD TGLDTGRNDS SMHEAFRGKI DATA SEQUENCE TALYALGRTN NANDTNGHGT HVAGSVLGNG STNKGMAPQA NLVFQSIMDS DATA SEQUENCE GGGLGGLPSN LQTLFSQAYS AGARIHTNSW GAAVNGAYTT DSRNVDDYVR DATA SEQUENCE KNDMTILFAA GNEGPNGGTI SAPGTAKNAI TVGATENLRP SFGSYADNIN DATA SEQUENCE HVAQFSSRGP TKDGRIKPDV MAPGTFILSA RSSLAPDSSF WANHDSKYAY DATA SEQUENCE XGGTSXATPI VAGNVAQLRE HFVKNRGITP KPSLLKAALI AGAADIGLGY DATA SEQUENCE PNGNQGWGRV TLDKSLNVAY VNESSSLSTS QKATYSFTAT AGKPLKISLV DATA SEQUENCE WSDAPASTTA SVTLVNDLDL VITAPNGTQY VGNDFTSPYN DNWDGRNNVE DATA SEQUENCE NVFINAPQSG TYTIEVQAYN VPVGPQTFSL AIVN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.477 175.510 -0.054 0.000 1.280 1 N CA 0.000 53.005 53.050 -0.075 0.000 0.885 1 N CB 0.000 38.431 38.487 -0.093 0.000 1.341 2 D N 0.297 120.656 120.400 -0.067 0.000 2.144 2 D HA -0.034 4.606 4.640 0.000 0.000 0.199 2 D C 1.890 178.184 176.300 -0.010 0.000 0.984 2 D CA 1.139 55.112 54.000 -0.046 0.000 0.834 2 D CB -0.090 40.678 40.800 -0.053 0.000 0.955 2 D HN 0.299 nan 8.370 nan 0.000 0.465 3 V N 1.070 120.994 119.914 0.017 0.000 2.407 3 V HA -0.101 4.019 4.120 0.000 0.000 0.245 3 V C 2.487 178.598 176.094 0.028 0.000 1.041 3 V CA 1.442 63.764 62.300 0.037 0.000 1.040 3 V CB -0.701 31.169 31.823 0.077 0.000 0.671 3 V HN 0.154 nan 8.190 nan 0.000 0.455 4 A N 0.489 123.325 122.820 0.027 0.000 1.978 4 A HA -0.269 4.051 4.320 0.000 0.000 0.220 4 A C 2.389 179.972 177.584 -0.002 0.000 1.170 4 A CA 2.076 54.124 52.037 0.018 0.000 0.636 4 A CB -0.622 18.389 19.000 0.018 0.000 0.810 4 A HN 0.515 nan 8.150 nan 0.000 0.448 5 R N -0.460 120.032 120.500 -0.014 0.000 2.091 5 R HA -0.138 4.202 4.340 0.000 0.000 0.238 5 R C 2.162 178.447 176.300 -0.025 0.000 1.136 5 R CA 1.848 57.931 56.100 -0.027 0.000 0.959 5 R CB -0.691 29.590 30.300 -0.032 0.000 0.856 5 R HN 0.433 nan 8.270 nan 0.000 0.437 6 G N 0.734 109.526 108.800 -0.014 0.000 2.394 6 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 6 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 6 G C 1.492 176.385 174.900 -0.011 0.000 1.165 6 G CA 0.618 45.711 45.100 -0.012 0.000 0.784 6 G HN 0.268 nan 8.290 nan 0.000 0.535 7 I N 1.103 121.670 120.570 -0.004 0.000 2.179 7 I HA -0.154 4.016 4.170 0.000 0.000 0.242 7 I C 2.634 178.744 176.117 -0.011 0.000 1.088 7 I CA 1.266 62.564 61.300 -0.002 0.000 1.357 7 I CB -0.095 37.911 38.000 0.010 0.000 1.051 7 I HN 0.174 nan 8.210 nan 0.000 0.409 8 V N -3.028 116.876 119.914 -0.016 0.000 3.649 8 V HA 0.165 4.285 4.120 0.000 0.000 0.275 8 V C 0.892 176.959 176.094 -0.044 0.000 1.281 8 V CA -0.161 62.123 62.300 -0.025 0.000 1.143 8 V CB -0.463 31.347 31.823 -0.022 0.000 0.892 8 V HN 0.402 nan 8.190 nan 0.000 0.441 9 K N -0.564 119.810 120.400 -0.044 0.000 3.339 9 K HA -0.232 4.088 4.320 0.000 0.000 0.299 9 K C 1.103 177.652 176.600 -0.084 0.000 1.270 9 K CA 1.029 57.281 56.287 -0.058 0.000 0.875 9 K CB -2.263 30.199 32.500 -0.064 0.000 1.298 9 K HN 0.902 nan 8.250 nan 0.000 0.485 10 A N 1.195 123.967 122.820 -0.080 0.000 2.067 10 A HA -0.183 4.137 4.320 0.000 0.000 0.219 10 A C 1.927 179.443 177.584 -0.113 0.000 1.158 10 A CA 1.813 53.787 52.037 -0.106 0.000 0.661 10 A CB -0.194 18.753 19.000 -0.088 0.000 0.801 10 A HN 0.529 nan 8.150 nan 0.000 0.452 11 D N 0.230 120.585 120.400 -0.075 0.000 2.117 11 D HA -0.124 4.517 4.640 0.000 0.000 0.198 11 D C 1.744 178.011 176.300 -0.056 0.000 0.982 11 D CA 1.601 55.565 54.000 -0.060 0.000 0.828 11 D CB -1.043 39.738 40.800 -0.031 0.000 0.967 11 D HN 0.231 nan 8.370 nan 0.000 0.464 12 V N 1.515 121.405 119.914 -0.039 0.000 2.358 12 V HA -0.168 3.952 4.120 0.000 0.000 0.246 12 V C 2.908 179.027 176.094 0.043 0.000 1.047 12 V CA 1.794 64.100 62.300 0.010 0.000 1.035 12 V CB -1.017 30.819 31.823 0.022 0.000 0.658 12 V HN 0.381 nan 8.190 nan 0.000 0.452 13 A N -0.676 122.095 122.820 -0.082 0.000 1.908 13 A HA -0.303 4.017 4.320 0.000 0.000 0.218 13 A C 2.194 179.684 177.584 -0.157 0.000 1.181 13 A CA 2.138 54.080 52.037 -0.160 0.000 0.627 13 A CB -0.444 18.398 19.000 -0.263 0.000 0.818 13 A HN 0.645 nan 8.150 nan 0.000 0.445 14 Q N -0.659 118.972 119.800 -0.281 0.000 2.020 14 Q HA -0.077 4.263 4.340 0.000 0.000 0.198 14 Q C 2.513 178.375 176.000 -0.230 0.000 0.974 14 Q CA 1.741 57.202 55.803 -0.570 0.000 0.829 14 Q CB -0.172 28.142 28.738 -0.707 0.000 0.894 14 Q HN 0.635 nan 8.270 nan 0.000 0.433 15 S N 0.358 116.014 115.700 -0.074 0.000 2.371 15 S HA -0.050 4.420 4.470 0.000 0.000 0.224 15 S C 2.062 176.664 174.600 0.004 0.000 1.029 15 S CA 1.217 59.424 58.200 0.011 0.000 0.978 15 S CB -0.005 63.201 63.200 0.011 0.000 0.833 15 S HN 0.204 nan 8.310 nan 0.000 0.466 16 S N -0.212 115.491 115.700 0.005 0.000 2.470 16 S HA 0.187 4.657 4.470 0.000 0.000 0.222 16 S C 0.891 175.342 174.600 -0.248 0.000 1.024 16 S CA 0.241 58.379 58.200 -0.103 0.000 0.931 16 S CB -0.095 63.032 63.200 -0.122 0.000 0.791 16 S HN 0.541 nan 8.310 nan 0.000 0.513 17 Y N 0.734 120.974 120.300 -0.100 0.000 2.444 17 Y HA 0.378 4.928 4.550 0.000 0.000 0.249 17 Y C 1.757 177.625 175.900 -0.053 0.000 1.134 17 Y CA -0.147 57.893 58.100 -0.099 0.000 1.261 17 Y CB 0.123 38.458 38.460 -0.209 0.000 1.143 17 Y HN 0.286 nan 8.280 nan 0.000 0.523 18 G N 0.912 109.757 108.800 0.075 0.000 2.148 18 G HA2 -0.292 3.668 3.960 0.000 0.000 0.254 18 G HA3 -0.292 3.668 3.960 0.000 0.000 0.254 18 G C -0.112 174.852 174.900 0.106 0.000 0.981 18 G CA 0.020 45.206 45.100 0.144 0.000 0.670 18 G HN 0.262 nan 8.290 nan 0.000 0.528 19 L N 0.322 121.475 121.223 -0.116 0.000 2.282 19 L HA 0.475 4.815 4.340 0.000 0.000 0.287 19 L C 0.733 177.416 176.870 -0.313 0.000 1.075 19 L CA -0.779 53.994 54.840 -0.112 0.000 0.839 19 L CB 0.342 42.330 42.059 -0.119 0.000 1.219 19 L HN 0.171 nan 8.230 nan 0.000 0.434 20 Y N 0.766 121.076 120.300 0.017 0.000 2.531 20 Y HA 0.274 4.824 4.550 0.000 0.000 0.249 20 Y C 1.668 177.573 175.900 0.008 0.000 1.168 20 Y CA 0.063 58.167 58.100 0.006 0.000 1.226 20 Y CB 0.937 39.399 38.460 0.003 0.000 1.177 20 Y HN 0.760 nan 8.280 nan 0.000 0.527 21 G N -0.031 108.839 108.800 0.118 0.000 2.157 21 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 21 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 21 G C 0.305 175.256 174.900 0.085 0.000 0.979 21 G CA 0.008 45.158 45.100 0.082 0.000 0.650 21 G HN 0.264 nan 8.290 nan 0.000 0.529 22 Q N 0.427 120.290 119.800 0.105 0.000 2.304 22 Q HA 0.356 4.697 4.340 0.000 0.000 0.301 22 Q C 1.597 177.631 176.000 0.057 0.000 1.063 22 Q CA 2.116 57.963 55.803 0.074 0.000 0.947 22 Q CB 0.278 29.059 28.738 0.071 0.000 1.201 22 Q HN 1.681 nan 8.270 nan 0.000 0.389 23 G N 3.308 112.133 108.800 0.041 0.000 2.268 23 G HA2 -0.199 3.761 3.960 0.000 0.000 0.240 23 G HA3 -0.199 3.761 3.960 0.000 0.000 0.240 23 G C -0.023 174.893 174.900 0.027 0.000 1.010 23 G CA 0.176 45.295 45.100 0.032 0.000 0.618 23 G HN 0.577 nan 8.290 nan 0.000 0.516 24 Q N 0.115 119.934 119.800 0.032 0.000 2.214 24 Q HA 0.735 5.075 4.340 0.000 0.000 0.251 24 Q C 0.096 176.108 176.000 0.020 0.000 0.936 24 Q CA -0.263 55.554 55.803 0.024 0.000 0.894 24 Q CB 1.798 30.554 28.738 0.031 0.000 1.252 24 Q HN 0.534 nan 8.270 nan 0.000 0.448 25 I N 1.454 122.030 120.570 0.010 0.000 2.418 25 I HA 0.327 4.497 4.170 0.000 0.000 0.287 25 I C -0.620 175.500 176.117 0.006 0.000 1.008 25 I CA -0.918 60.386 61.300 0.008 0.000 1.104 25 I CB 1.906 39.904 38.000 -0.002 0.000 1.264 25 I HN 0.113 nan 8.210 nan 0.000 0.438 26 V N 5.236 125.153 119.914 0.005 0.000 2.435 26 V HA 0.647 4.767 4.120 0.000 0.000 0.290 26 V C 0.412 176.478 176.094 -0.047 0.000 1.030 26 V CA -0.589 61.702 62.300 -0.015 0.000 0.881 26 V CB 1.636 33.451 31.823 -0.014 0.000 0.983 26 V HN 0.814 nan 8.190 nan 0.000 0.445 27 A N 4.528 127.289 122.820 -0.099 0.000 2.301 27 A HA 0.803 5.123 4.320 0.000 0.000 0.312 27 A C -0.621 176.717 177.584 -0.409 0.000 1.182 27 A CA -0.454 51.453 52.037 -0.217 0.000 0.826 27 A CB 1.115 20.008 19.000 -0.179 0.000 1.134 27 A HN 0.692 nan 8.150 nan 0.000 0.501 28 V N 1.710 121.379 119.914 -0.409 0.000 2.444 28 V HA 0.613 4.733 4.120 0.000 0.000 0.294 28 V C 0.307 175.977 176.094 -0.707 0.000 1.022 28 V CA -0.325 61.679 62.300 -0.493 0.000 0.850 28 V CB 1.466 33.080 31.823 -0.347 0.000 0.992 28 V HN 1.144 nan 8.190 nan 0.000 0.426 29 A N 3.788 126.343 122.820 -0.441 0.000 2.280 29 A HA 0.765 5.085 4.320 0.000 0.000 0.320 29 A C -0.417 177.088 177.584 -0.132 0.000 1.366 29 A CA -0.144 51.748 52.037 -0.241 0.000 0.938 29 A CB 0.387 19.495 19.000 0.179 0.000 1.157 29 A HN 0.821 nan 8.150 nan 0.000 0.536 30 D N 0.563 120.765 120.400 -0.330 0.000 2.946 30 D HA 0.220 4.860 4.640 0.000 0.000 0.337 30 D C 1.555 177.933 176.300 0.131 0.000 1.332 30 D CA 0.587 54.590 54.000 0.005 0.000 0.935 30 D CB 0.950 41.821 40.800 0.118 0.000 1.440 30 D HN 0.387 nan 8.370 nan 0.000 0.540 31 T N -1.453 113.236 114.554 0.225 0.000 2.622 31 T HA 0.244 4.594 4.350 0.000 0.000 0.266 31 T C 1.080 175.911 174.700 0.217 0.000 1.047 31 T CA 1.461 63.651 62.100 0.151 0.000 1.159 31 T CB -0.254 68.679 68.868 0.109 0.000 0.863 31 T HN 0.593 nan 8.240 nan 0.000 0.422 32 G N -0.055 108.912 108.800 0.278 0.000 2.441 32 G HA2 0.493 4.453 3.960 0.000 0.000 0.294 32 G HA3 0.493 4.453 3.960 0.000 0.000 0.294 32 G C -2.389 172.246 174.900 -0.442 0.000 1.393 32 G CA -0.796 44.337 45.100 0.055 0.000 0.796 32 G HN 0.497 nan 8.290 nan 0.000 0.494 33 L N 1.309 122.116 121.223 -0.693 0.000 2.401 33 L HA 0.562 4.902 4.340 0.000 0.000 0.263 33 L C 0.550 177.182 176.870 -0.397 0.000 1.004 33 L CA 0.379 54.711 54.840 -0.845 0.000 0.881 33 L CB 0.591 41.828 42.059 -1.370 0.000 1.219 33 L HN 1.000 nan 8.230 nan 0.000 0.441 34 D N 1.177 121.443 120.400 -0.223 0.000 3.750 34 D HA -0.392 4.248 4.640 0.000 0.000 0.149 34 D C 1.295 177.560 176.300 -0.059 0.000 0.867 34 D CA 2.811 56.773 54.000 -0.062 0.000 1.010 34 D CB -0.396 40.429 40.800 0.042 0.000 0.462 34 D HN 0.711 nan 8.370 nan 0.000 0.436 35 T N -2.324 112.210 114.554 -0.033 0.000 3.007 35 T HA 0.270 4.620 4.350 0.000 0.000 0.270 35 T C 1.849 176.520 174.700 -0.049 0.000 1.107 35 T CA 1.767 63.849 62.100 -0.029 0.000 1.118 35 T CB -0.530 68.329 68.868 -0.014 0.000 0.889 35 T HN 1.601 nan 8.240 nan 0.000 0.506 36 G N 1.682 110.428 108.800 -0.090 0.000 2.148 36 G HA2 -0.263 3.697 3.960 0.000 0.000 0.254 36 G HA3 -0.263 3.697 3.960 0.000 0.000 0.254 36 G C 0.015 174.877 174.900 -0.064 0.000 0.981 36 G CA 0.034 45.076 45.100 -0.096 0.000 0.670 36 G HN 0.762 nan 8.290 nan 0.000 0.528 37 R N -0.449 120.020 120.500 -0.052 0.000 2.534 37 R HA 0.460 4.800 4.340 0.000 0.000 0.301 37 R C -0.596 175.684 176.300 -0.033 0.000 0.961 37 R CA -1.040 55.040 56.100 -0.033 0.000 0.871 37 R CB 0.928 31.217 30.300 -0.019 0.000 1.170 37 R HN 0.046 nan 8.270 nan 0.000 0.446 38 N N 3.093 121.774 118.700 -0.031 0.000 2.968 38 N HA 0.029 4.769 4.740 0.000 0.000 0.271 38 N C -1.453 174.052 175.510 -0.009 0.000 1.174 38 N CA 0.015 53.050 53.050 -0.024 0.000 1.096 38 N CB -0.065 38.402 38.487 -0.034 0.000 1.403 38 N HN 0.669 nan 8.380 nan 0.000 0.522 39 D N -2.166 118.233 120.400 -0.003 0.000 2.921 39 D HA 0.134 4.774 4.640 0.000 0.000 0.329 39 D C 0.557 176.859 176.300 0.004 0.000 1.293 39 D CA -0.487 53.513 54.000 0.000 0.000 0.964 39 D CB -0.261 40.538 40.800 -0.003 0.000 1.435 39 D HN -0.015 nan 8.370 nan 0.000 0.548 40 S N -1.003 114.697 115.700 -0.000 0.000 2.507 40 S HA -0.114 4.356 4.470 0.000 0.000 0.235 40 S C 1.631 176.228 174.600 -0.005 0.000 0.988 40 S CA 1.090 59.288 58.200 -0.002 0.000 0.944 40 S CB -0.877 62.319 63.200 -0.006 0.000 0.762 40 S HN 0.625 nan 8.310 nan 0.000 0.526 41 S N 0.568 116.266 115.700 -0.004 0.000 2.515 41 S HA 0.142 4.612 4.470 0.000 0.000 0.231 41 S C 0.633 175.234 174.600 0.001 0.000 0.987 41 S CA -0.152 58.044 58.200 -0.007 0.000 0.936 41 S CB -0.687 62.509 63.200 -0.008 0.000 0.766 41 S HN 0.557 nan 8.310 nan 0.000 0.528 42 M N 3.563 123.174 119.600 0.019 0.000 2.238 42 M HA 0.224 4.704 4.480 0.000 0.000 0.347 42 M C 0.178 176.535 176.300 0.095 0.000 1.173 42 M CA -0.468 54.869 55.300 0.061 0.000 1.147 42 M CB 0.100 32.742 32.600 0.070 0.000 1.547 42 M HN 0.345 nan 8.290 nan 0.000 0.455 43 H N 3.863 122.964 119.070 0.051 0.000 3.193 43 H HA -0.103 4.453 4.556 0.000 0.000 0.306 43 H C 0.602 175.916 175.328 -0.024 0.000 0.960 43 H CA 1.553 57.615 56.048 0.024 0.000 1.375 43 H CB 0.522 30.351 29.762 0.111 0.000 1.321 43 H HN 0.929 nan 8.280 nan 0.000 0.578 44 E N 3.719 123.840 120.200 -0.133 0.000 2.233 44 E HA -0.201 4.149 4.350 0.000 0.000 0.199 44 E C 1.700 178.322 176.600 0.037 0.000 1.004 44 E CA 1.275 57.656 56.400 -0.032 0.000 0.819 44 E CB -0.119 29.521 29.700 -0.100 0.000 0.738 44 E HN 0.582 nan 8.360 nan 0.000 0.478 45 A N -0.114 122.793 122.820 0.145 0.000 2.168 45 A HA 0.041 4.361 4.320 0.000 0.000 0.215 45 A C 1.206 178.326 177.584 -0.773 0.000 1.152 45 A CA 0.803 52.552 52.037 -0.479 0.000 0.716 45 A CB -0.372 18.046 19.000 -0.971 0.000 0.794 45 A HN 0.409 nan 8.150 nan 0.000 0.465 46 F N -2.076 117.920 119.950 0.078 0.000 2.876 46 F HA 0.315 4.842 4.527 0.000 0.000 0.344 46 F C 0.738 176.544 175.800 0.010 0.000 1.029 46 F CA -0.763 57.245 58.000 0.014 0.000 1.154 46 F CB 0.201 39.180 39.000 -0.035 0.000 1.040 46 F HN -0.085 nan 8.300 nan 0.000 0.576 47 R N 1.408 122.004 120.500 0.161 0.000 2.504 47 R HA 0.300 4.640 4.340 0.000 0.000 0.291 47 R C 1.294 177.628 176.300 0.057 0.000 0.974 47 R CA 1.507 57.662 56.100 0.091 0.000 1.077 47 R CB -0.133 30.198 30.300 0.051 0.000 0.926 47 R HN 0.523 nan 8.270 nan 0.000 0.407 48 G N 3.575 112.402 108.800 0.046 0.000 2.176 48 G HA2 -0.344 3.616 3.960 0.000 0.000 0.253 48 G HA3 -0.344 3.616 3.960 0.000 0.000 0.253 48 G C 0.333 175.253 174.900 0.035 0.000 0.979 48 G CA 0.688 45.806 45.100 0.029 0.000 0.641 48 G HN 0.682 nan 8.290 nan 0.000 0.530 49 K N -0.317 120.119 120.400 0.059 0.000 2.564 49 K HA 0.644 4.964 4.320 0.000 0.000 0.205 49 K C 0.222 176.860 176.600 0.063 0.000 1.053 49 K CA -0.550 55.774 56.287 0.061 0.000 1.072 49 K CB 0.380 32.926 32.500 0.077 0.000 0.822 49 K HN 0.264 nan 8.250 nan 0.000 0.497 50 I N 1.929 122.525 120.570 0.044 0.000 2.312 50 I HA 0.114 4.284 4.170 0.000 0.000 0.290 50 I C 0.802 176.909 176.117 -0.016 0.000 1.008 50 I CA -0.557 60.750 61.300 0.013 0.000 1.226 50 I CB 1.858 39.851 38.000 -0.011 0.000 1.371 50 I HN 0.139 nan 8.210 nan 0.000 0.468 51 T N 4.718 119.259 114.554 -0.022 0.000 2.737 51 T HA 0.041 4.391 4.350 0.000 0.000 0.265 51 T C 0.602 175.251 174.700 -0.084 0.000 1.038 51 T CA 1.217 63.297 62.100 -0.033 0.000 1.144 51 T CB 0.087 68.945 68.868 -0.017 0.000 0.866 51 T HN 0.727 nan 8.240 nan 0.000 0.434 52 A N 0.055 122.776 122.820 -0.165 0.000 2.589 52 A HA 0.674 4.994 4.320 0.000 0.000 0.296 52 A C -2.135 175.176 177.584 -0.454 0.000 1.062 52 A CA -0.739 51.069 52.037 -0.382 0.000 0.686 52 A CB 1.339 19.971 19.000 -0.614 0.000 1.282 52 A HN 0.209 nan 8.150 nan 0.000 0.404 53 L N 1.980 122.915 121.223 -0.481 0.000 2.427 53 L HA 0.620 4.960 4.340 0.000 0.000 0.264 53 L C -1.818 174.939 176.870 -0.188 0.000 0.989 53 L CA -0.218 54.470 54.840 -0.253 0.000 0.865 53 L CB 0.385 42.366 42.059 -0.131 0.000 1.209 53 L HN 0.624 nan 8.230 nan 0.000 0.430 54 Y N 3.429 123.786 120.300 0.094 0.000 2.341 54 Y HA 0.711 5.261 4.550 0.000 0.000 0.337 54 Y C 0.570 176.507 175.900 0.062 0.000 1.014 54 Y CA -1.133 57.004 58.100 0.061 0.000 1.111 54 Y CB 1.987 40.474 38.460 0.045 0.000 1.194 54 Y HN 0.700 nan 8.280 nan 0.000 0.462 55 A N 4.346 127.291 122.820 0.208 0.000 2.294 55 A HA 0.453 4.773 4.320 0.000 0.000 0.316 55 A C -0.195 177.430 177.584 0.068 0.000 1.359 55 A CA -0.318 51.787 52.037 0.114 0.000 0.956 55 A CB 0.139 19.182 19.000 0.072 0.000 1.155 55 A HN 0.851 nan 8.150 nan 0.000 0.544 56 L N 2.664 123.914 121.223 0.045 0.000 2.388 56 L HA 0.234 4.574 4.340 0.000 0.000 0.209 56 L C 2.432 179.284 176.870 -0.031 0.000 1.061 56 L CA 1.951 56.786 54.840 -0.008 0.000 0.834 56 L CB -0.604 41.436 42.059 -0.032 0.000 1.029 56 L HN 0.699 nan 8.230 nan 0.000 0.473 57 G N -0.373 108.411 108.800 -0.027 0.000 2.453 57 G HA2 -0.021 3.939 3.960 0.000 0.000 0.215 57 G HA3 -0.021 3.939 3.960 0.000 0.000 0.215 57 G C 0.685 175.567 174.900 -0.031 0.000 1.147 57 G CA -0.027 45.045 45.100 -0.046 0.000 0.802 57 G HN 0.193 nan 8.290 nan 0.000 0.535 58 R N 0.772 121.264 120.500 -0.013 0.000 2.507 58 R HA 0.347 4.687 4.340 0.000 0.000 0.298 58 R C -0.956 175.344 176.300 -0.000 0.000 1.087 58 R CA -0.401 55.693 56.100 -0.009 0.000 0.917 58 R CB 1.516 31.812 30.300 -0.007 0.000 1.173 58 R HN 0.005 nan 8.270 nan 0.000 0.472 59 T N 3.640 118.192 114.554 -0.004 0.000 2.905 59 T HA -0.036 4.314 4.350 0.000 0.000 0.299 59 T C 0.701 175.407 174.700 0.008 0.000 1.024 59 T CA 0.147 62.248 62.100 0.002 0.000 1.151 59 T CB 0.039 68.904 68.868 -0.004 0.000 0.987 59 T HN 0.691 nan 8.240 nan 0.000 0.535 60 N N 0.873 119.584 118.700 0.018 0.000 2.741 60 N HA -0.179 4.561 4.740 0.000 0.000 0.251 60 N C -0.534 174.985 175.510 0.015 0.000 1.112 60 N CA 0.948 54.009 53.050 0.019 0.000 0.750 60 N CB -1.191 37.303 38.487 0.011 0.000 1.119 60 N HN 0.735 nan 8.380 nan 0.000 0.561 61 N N -0.349 118.362 118.700 0.017 0.000 2.599 61 N HA 0.524 5.264 4.740 0.000 0.000 0.283 61 N C -0.698 174.821 175.510 0.016 0.000 1.160 61 N CA 0.137 53.194 53.050 0.011 0.000 0.869 61 N CB 1.053 39.542 38.487 0.003 0.000 1.448 61 N HN 0.139 nan 8.380 nan 0.000 0.535 62 A N 2.569 125.396 122.820 0.011 0.000 2.545 62 A HA 0.180 4.500 4.320 0.000 0.000 0.277 62 A C 0.599 178.157 177.584 -0.042 0.000 1.301 62 A CA -0.468 51.577 52.037 0.014 0.000 0.935 62 A CB -0.706 18.314 19.000 0.034 0.000 1.093 62 A HN 0.716 nan 8.150 nan 0.000 0.519 63 N N -0.168 118.509 118.700 -0.037 0.000 2.327 63 N HA 0.250 4.990 4.740 0.000 0.000 0.257 63 N C -0.986 174.495 175.510 -0.048 0.000 1.281 63 N CA -0.220 52.795 53.050 -0.058 0.000 0.942 63 N CB 0.426 38.893 38.487 -0.033 0.000 1.199 63 N HN -0.033 nan 8.380 nan 0.000 0.532 64 D N -1.567 118.805 120.400 -0.047 0.000 2.375 64 D HA 0.209 4.849 4.640 0.000 0.000 0.259 64 D C 0.179 176.488 176.300 0.015 0.000 1.235 64 D CA -0.505 53.484 54.000 -0.018 0.000 0.924 64 D CB 0.250 41.024 40.800 -0.043 0.000 1.143 64 D HN 0.627 nan 8.370 nan 0.000 0.529 65 T N -0.094 114.470 114.554 0.016 0.000 3.088 65 T HA -0.066 4.284 4.350 0.000 0.000 0.259 65 T C 1.354 176.071 174.700 0.029 0.000 1.122 65 T CA 0.288 62.403 62.100 0.026 0.000 1.095 65 T CB 0.154 69.031 68.868 0.014 0.000 0.930 65 T HN 0.279 nan 8.240 nan 0.000 0.508 66 N N 1.406 120.117 118.700 0.019 0.000 2.349 66 N HA 0.085 4.826 4.740 0.000 0.000 0.180 66 N C 1.854 177.348 175.510 -0.027 0.000 1.024 66 N CA 1.564 54.610 53.050 -0.007 0.000 0.869 66 N CB 0.067 38.549 38.487 -0.009 0.000 1.022 66 N HN 0.577 nan 8.380 nan 0.000 0.433 67 G N 0.269 109.088 108.800 0.031 0.000 2.259 67 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 67 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 67 G C 0.952 175.881 174.900 0.049 0.000 1.001 67 G CA 0.481 45.617 45.100 0.060 0.000 0.627 67 G HN 0.564 nan 8.290 nan 0.000 0.501 68 H N 1.315 120.339 119.070 -0.077 0.000 2.267 68 H HA -0.087 4.470 4.556 0.000 0.000 0.297 68 H C 2.761 178.127 175.328 0.064 0.000 1.080 68 H CA 2.893 58.911 56.048 -0.051 0.000 1.278 68 H CB -0.684 29.041 29.762 -0.061 0.000 1.365 68 H HN 0.440 nan 8.280 nan 0.000 0.489 69 G N -0.797 108.164 108.800 0.269 0.000 2.432 69 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 69 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 69 G C 1.781 176.787 174.900 0.177 0.000 1.135 69 G CA 1.183 46.477 45.100 0.322 0.000 0.767 69 G HN 0.429 nan 8.290 nan 0.000 0.550 70 T N -0.432 114.149 114.554 0.045 0.000 2.821 70 T HA -0.084 4.266 4.350 0.000 0.000 0.267 70 T C 2.021 176.780 174.700 0.100 0.000 1.046 70 T CA 1.113 63.182 62.100 -0.050 0.000 1.139 70 T CB -0.313 68.541 68.868 -0.022 0.000 0.871 70 T HN 0.396 nan 8.240 nan 0.000 0.454 71 H N 0.707 119.792 119.070 0.025 0.000 2.363 71 H HA 0.025 4.581 4.556 0.000 0.000 0.301 71 H C 2.229 177.553 175.328 -0.006 0.000 1.074 71 H CA 1.148 57.210 56.048 0.023 0.000 1.354 71 H CB -0.267 29.494 29.762 -0.003 0.000 1.397 71 H HN 0.146 nan 8.280 nan 0.000 0.516 72 V N 1.363 121.331 119.914 0.091 0.000 2.261 72 V HA -0.273 3.847 4.120 0.000 0.000 0.246 72 V C 3.056 179.188 176.094 0.063 0.000 1.047 72 V CA 1.779 64.096 62.300 0.030 0.000 1.015 72 V CB -1.232 30.576 31.823 -0.026 0.000 0.642 72 V HN 0.571 nan 8.190 nan 0.000 0.446 73 A N 0.351 123.239 122.820 0.113 0.000 1.940 73 A HA -0.119 4.201 4.320 0.000 0.000 0.219 73 A C 2.386 180.157 177.584 0.311 0.000 1.176 73 A CA 1.929 54.054 52.037 0.147 0.000 0.631 73 A CB -1.199 17.793 19.000 -0.013 0.000 0.814 73 A HN 0.567 nan 8.150 nan 0.000 0.446 74 G N -0.999 108.011 108.800 0.349 0.000 2.432 74 G HA2 -0.123 3.837 3.960 0.000 0.000 0.219 74 G HA3 -0.123 3.837 3.960 0.000 0.000 0.219 74 G C 1.748 176.661 174.900 0.022 0.000 1.135 74 G CA 1.260 46.487 45.100 0.211 0.000 0.767 74 G HN 0.495 nan 8.290 nan 0.000 0.550 75 S N -0.347 115.341 115.700 -0.020 0.000 2.406 75 S HA -0.027 4.443 4.470 0.000 0.000 0.228 75 S C 2.497 177.093 174.600 -0.006 0.000 1.020 75 S CA 0.799 58.969 58.200 -0.050 0.000 0.965 75 S CB 0.016 63.178 63.200 -0.063 0.000 0.798 75 S HN 0.205 nan 8.310 nan 0.000 0.488 76 V N 1.549 121.481 119.914 0.031 0.000 2.270 76 V HA -0.071 4.049 4.120 0.000 0.000 0.245 76 V C 1.249 177.370 176.094 0.044 0.000 1.043 76 V CA 1.581 63.900 62.300 0.032 0.000 1.014 76 V CB -0.477 31.369 31.823 0.039 0.000 0.645 76 V HN 0.596 nan 8.190 nan 0.000 0.447 77 L N -2.236 119.036 121.223 0.082 0.000 3.759 77 L HA 0.579 4.919 4.340 0.000 0.000 0.355 77 L C 0.724 177.626 176.870 0.054 0.000 1.271 77 L CA 0.017 54.904 54.840 0.079 0.000 1.142 77 L CB -0.941 41.180 42.059 0.104 0.000 1.474 77 L HN 0.002 nan 8.230 nan 0.000 0.624 78 G N 0.935 109.735 108.800 -0.001 0.000 2.321 78 G HA2 0.172 4.132 3.960 0.000 0.000 0.237 78 G HA3 0.172 4.132 3.960 0.000 0.000 0.237 78 G C 0.127 174.937 174.900 -0.149 0.000 1.282 78 G CA 0.349 45.316 45.100 -0.221 0.000 0.886 78 G HN 0.338 nan 8.290 nan 0.000 0.528 79 N N 1.025 119.619 118.700 -0.177 0.000 2.553 79 N HA 0.241 4.981 4.740 0.000 0.000 0.298 79 N C 0.884 176.351 175.510 -0.071 0.000 1.596 79 N CA 0.169 53.167 53.050 -0.088 0.000 0.910 79 N CB 0.233 38.688 38.487 -0.052 0.000 1.336 79 N HN 0.620 nan 8.380 nan 0.000 0.497 80 G N -0.962 107.809 108.800 -0.049 0.000 2.653 80 G HA2 0.130 4.090 3.960 0.000 0.000 0.265 80 G HA3 0.130 4.090 3.960 0.000 0.000 0.265 80 G C 0.879 175.767 174.900 -0.019 0.000 1.237 80 G CA -0.117 45.011 45.100 0.046 0.000 0.946 80 G HN 0.294 nan 8.290 nan 0.000 0.522 81 S N -1.267 114.433 115.700 0.001 0.000 2.423 81 S HA 0.006 4.476 4.470 0.000 0.000 0.231 81 S C 1.226 175.763 174.600 -0.105 0.000 1.014 81 S CA 1.264 59.441 58.200 -0.039 0.000 0.965 81 S CB -0.484 62.708 63.200 -0.013 0.000 0.785 81 S HN 1.065 nan 8.310 nan 0.000 0.495 82 T N -0.984 113.437 114.554 -0.222 0.000 2.887 82 T HA 0.535 4.885 4.350 0.000 0.000 0.292 82 T C -0.585 173.750 174.700 -0.608 0.000 1.087 82 T CA -1.005 60.874 62.100 -0.367 0.000 1.009 82 T CB 0.997 69.648 68.868 -0.362 0.000 1.203 82 T HN 0.022 nan 8.240 nan 0.000 0.518 83 N N 0.457 118.866 118.700 -0.485 0.000 2.725 83 N HA -0.145 4.595 4.740 0.000 0.000 0.251 83 N C -0.498 174.824 175.510 -0.313 0.000 1.031 83 N CA 0.636 53.409 53.050 -0.461 0.000 0.720 83 N CB -1.032 37.011 38.487 -0.740 0.000 0.930 83 N HN 0.710 nan 8.380 nan 0.000 0.543 84 K N 0.370 120.647 120.400 -0.205 0.000 2.380 84 K HA 0.241 4.561 4.320 0.000 0.000 0.267 84 K C 1.442 177.987 176.600 -0.092 0.000 0.990 84 K CA 0.402 56.614 56.287 -0.124 0.000 0.946 84 K CB 0.482 32.942 32.500 -0.067 0.000 0.937 84 K HN 0.282 nan 8.250 nan 0.000 0.491 85 G N 1.118 109.880 108.800 -0.064 0.000 2.653 85 G HA2 -0.008 3.952 3.960 0.000 0.000 0.265 85 G HA3 -0.008 3.952 3.960 0.000 0.000 0.265 85 G C 0.917 175.807 174.900 -0.017 0.000 1.237 85 G CA -0.565 44.513 45.100 -0.037 0.000 0.946 85 G HN 0.470 nan 8.290 nan 0.000 0.522 86 M N 0.060 119.651 119.600 -0.015 0.000 2.319 86 M HA 0.071 4.551 4.480 0.000 0.000 0.265 86 M C 1.632 177.926 176.300 -0.010 0.000 1.068 86 M CA 0.806 56.093 55.300 -0.022 0.000 1.118 86 M CB -0.720 31.863 32.600 -0.029 0.000 1.395 86 M HN 0.497 nan 8.290 nan 0.000 0.435 87 A N 1.198 124.030 122.820 0.019 0.000 3.248 87 A HA 0.436 4.756 4.320 0.000 0.000 0.315 87 A C -1.711 175.921 177.584 0.080 0.000 0.974 87 A CA -0.946 51.118 52.037 0.046 0.000 0.939 87 A CB -0.071 18.949 19.000 0.033 0.000 1.061 87 A HN 0.106 nan 8.150 nan 0.000 0.481 88 P HA -0.133 nan 4.420 nan 0.000 0.230 88 P C 0.668 178.009 177.300 0.068 0.000 1.158 88 P CA 1.092 64.237 63.100 0.075 0.000 0.769 88 P CB 0.270 32.018 31.700 0.079 0.000 0.807 89 Q N -0.894 118.970 119.800 0.106 0.000 2.247 89 Q HA 0.302 4.642 4.340 0.000 0.000 0.204 89 Q C 0.673 176.711 176.000 0.065 0.000 0.872 89 Q CA -0.431 55.412 55.803 0.066 0.000 0.951 89 Q CB 0.411 29.188 28.738 0.065 0.000 1.099 89 Q HN 0.142 nan 8.270 nan 0.000 0.501 90 A N 1.074 123.936 122.820 0.070 0.000 2.366 90 A HA 0.259 4.579 4.320 0.000 0.000 0.249 90 A C 0.003 177.621 177.584 0.056 0.000 1.084 90 A CA -0.382 51.689 52.037 0.057 0.000 0.794 90 A CB 0.402 19.434 19.000 0.053 0.000 1.034 90 A HN 0.154 nan 8.150 nan 0.000 0.491 91 N N -0.759 117.969 118.700 0.045 0.000 2.482 91 N HA 0.530 5.270 4.740 0.000 0.000 0.279 91 N C -1.101 174.437 175.510 0.047 0.000 1.182 91 N CA -0.413 52.665 53.050 0.047 0.000 0.969 91 N CB 1.400 39.905 38.487 0.030 0.000 1.201 91 N HN 0.508 nan 8.380 nan 0.000 0.523 92 L N 1.070 122.325 121.223 0.053 0.000 2.313 92 L HA 0.488 4.828 4.340 0.000 0.000 0.283 92 L C -1.145 175.733 176.870 0.013 0.000 1.013 92 L CA -0.648 54.222 54.840 0.049 0.000 0.816 92 L CB 1.449 43.561 42.059 0.089 0.000 1.236 92 L HN 0.179 nan 8.230 nan 0.000 0.419 93 V N 5.996 125.909 119.914 -0.002 0.000 2.370 93 V HA 0.404 4.524 4.120 0.000 0.000 0.279 93 V C -0.658 175.430 176.094 -0.010 0.000 1.029 93 V CA -0.309 61.974 62.300 -0.028 0.000 0.870 93 V CB 1.162 32.985 31.823 0.001 0.000 0.984 93 V HN 0.648 nan 8.190 nan 0.000 0.451 94 F N 4.029 123.881 119.950 -0.163 0.000 2.493 94 F HA 0.517 5.044 4.527 0.000 0.000 0.329 94 F C 0.150 175.913 175.800 -0.060 0.000 1.126 94 F CA -0.374 57.548 58.000 -0.131 0.000 0.937 94 F CB 1.812 40.701 39.000 -0.184 0.000 1.146 94 F HN 0.426 nan 8.300 nan 0.000 0.442 95 Q N 4.073 123.746 119.800 -0.212 0.000 2.425 95 Q HA 0.213 4.553 4.340 0.000 0.000 0.254 95 Q C -0.548 175.414 176.000 -0.063 0.000 1.032 95 Q CA -0.596 55.209 55.803 0.003 0.000 0.798 95 Q CB 1.663 30.414 28.738 0.022 0.000 1.210 95 Q HN 0.552 nan 8.270 nan 0.000 0.491 96 S N 3.407 119.230 115.700 0.204 0.000 2.414 96 S HA 0.174 4.644 4.470 0.000 0.000 0.290 96 S C 0.811 175.447 174.600 0.059 0.000 1.160 96 S CA -0.352 57.985 58.200 0.229 0.000 1.069 96 S CB -0.037 63.309 63.200 0.243 0.000 1.012 96 S HN 0.687 nan 8.310 nan 0.000 0.510 97 I N 2.929 123.490 120.570 -0.016 0.000 4.082 97 I HA 0.393 4.563 4.170 0.000 0.000 0.337 97 I C 0.617 176.669 176.117 -0.107 0.000 1.352 97 I CA -0.423 60.813 61.300 -0.106 0.000 1.097 97 I CB 0.048 37.908 38.000 -0.233 0.000 1.048 97 I HN 0.495 nan 8.210 nan 0.000 0.393 98 M N 3.910 123.478 119.600 -0.052 0.000 2.239 98 M HA 0.108 4.588 4.480 0.000 0.000 0.348 98 M C -0.322 175.947 176.300 -0.051 0.000 1.239 98 M CA 0.274 55.540 55.300 -0.057 0.000 1.114 98 M CB 0.457 33.042 32.600 -0.024 0.000 1.641 98 M HN 0.389 nan 8.290 nan 0.000 0.453 99 D N 2.139 122.501 120.400 -0.062 0.000 2.478 99 D HA 0.289 4.929 4.640 0.000 0.000 0.263 99 D C 0.447 176.724 176.300 -0.038 0.000 1.153 99 D CA -0.716 53.254 54.000 -0.050 0.000 1.038 99 D CB 0.670 41.435 40.800 -0.059 0.000 1.120 99 D HN 0.550 nan 8.370 nan 0.000 0.564 100 S N -0.692 114.989 115.700 -0.031 0.000 2.400 100 S HA -0.054 4.416 4.470 0.000 0.000 0.232 100 S C 2.013 176.597 174.600 -0.027 0.000 1.025 100 S CA 1.008 59.193 58.200 -0.024 0.000 0.993 100 S CB -0.690 62.498 63.200 -0.020 0.000 0.808 100 S HN 0.734 nan 8.310 nan 0.000 0.478 101 G N 0.123 108.903 108.800 -0.032 0.000 2.598 101 G HA2 0.330 4.290 3.960 0.000 0.000 0.215 101 G HA3 0.330 4.290 3.960 0.000 0.000 0.215 101 G C 0.991 175.869 174.900 -0.036 0.000 1.131 101 G CA 0.537 45.618 45.100 -0.032 0.000 0.785 101 G HN 0.871 nan 8.290 nan 0.000 0.539 102 G N -1.752 107.023 108.800 -0.042 0.000 2.179 102 G HA2 0.049 4.009 3.960 0.000 0.000 0.220 102 G HA3 0.049 4.009 3.960 0.000 0.000 0.220 102 G C 0.681 175.543 174.900 -0.064 0.000 0.990 102 G CA 0.208 45.279 45.100 -0.048 0.000 0.646 102 G HN 0.988 nan 8.290 nan 0.000 0.517 103 G N -0.912 107.848 108.800 -0.068 0.000 2.583 103 G HA2 0.621 4.581 3.960 0.000 0.000 0.280 103 G HA3 0.621 4.581 3.960 0.000 0.000 0.280 103 G C 0.415 175.247 174.900 -0.114 0.000 1.376 103 G CA -0.808 44.241 45.100 -0.085 0.000 1.043 103 G HN 0.615 nan 8.290 nan 0.000 0.538 104 L N 1.278 122.413 121.223 -0.148 0.000 3.096 104 L HA 0.262 4.603 4.340 0.000 0.000 0.247 104 L C 1.969 178.708 176.870 -0.218 0.000 1.321 104 L CA -0.249 54.459 54.840 -0.221 0.000 1.044 104 L CB 0.708 42.573 42.059 -0.324 0.000 1.434 104 L HN 0.724 nan 8.230 nan 0.000 0.533 105 G N -0.236 108.475 108.800 -0.149 0.000 2.598 105 G HA2 -0.139 3.821 3.960 0.000 0.000 0.215 105 G HA3 -0.139 3.821 3.960 0.000 0.000 0.215 105 G C 1.416 176.236 174.900 -0.133 0.000 1.131 105 G CA 0.688 45.711 45.100 -0.128 0.000 0.785 105 G HN 0.553 nan 8.290 nan 0.000 0.539 106 G N 0.279 108.993 108.800 -0.143 0.000 2.598 106 G HA2 0.098 4.058 3.960 0.000 0.000 0.215 106 G HA3 0.098 4.058 3.960 0.000 0.000 0.215 106 G C 0.733 175.530 174.900 -0.170 0.000 1.131 106 G CA -0.377 44.646 45.100 -0.129 0.000 0.785 106 G HN 0.396 nan 8.290 nan 0.000 0.539 107 L N 2.339 123.416 121.223 -0.243 0.000 2.499 107 L HA 0.191 4.531 4.340 0.000 0.000 0.273 107 L C -1.404 175.350 176.870 -0.193 0.000 1.195 107 L CA -1.452 53.222 54.840 -0.276 0.000 0.882 107 L CB 0.663 42.471 42.059 -0.419 0.000 1.133 107 L HN 0.068 nan 8.230 nan 0.000 0.483 108 P HA 0.096 nan 4.420 nan 0.000 0.274 108 P C 0.372 177.599 177.300 -0.122 0.000 1.237 108 P CA -0.541 62.476 63.100 -0.138 0.000 0.793 108 P CB 1.102 32.715 31.700 -0.145 0.000 0.977 109 S N 0.429 116.074 115.700 -0.091 0.000 2.370 109 S HA -0.141 4.329 4.470 0.000 0.000 0.226 109 S C 1.003 175.566 174.600 -0.061 0.000 1.033 109 S CA 0.770 58.929 58.200 -0.068 0.000 1.011 109 S CB -0.760 62.409 63.200 -0.051 0.000 0.852 109 S HN 0.564 nan 8.310 nan 0.000 0.457 110 N N 1.169 119.827 118.700 -0.070 0.000 2.485 110 N HA 0.310 5.050 4.740 0.000 0.000 0.243 110 N C 0.571 176.007 175.510 -0.123 0.000 0.987 110 N CA -0.287 52.725 53.050 -0.064 0.000 0.940 110 N CB 0.835 39.298 38.487 -0.040 0.000 1.122 110 N HN 0.289 nan 8.380 nan 0.000 0.509 111 L N 2.495 123.637 121.223 -0.135 0.000 2.261 111 L HA -0.190 4.150 4.340 0.000 0.000 0.216 111 L C 2.031 178.582 176.870 -0.531 0.000 1.114 111 L CA 1.038 55.681 54.840 -0.328 0.000 0.777 111 L CB -0.078 41.854 42.059 -0.212 0.000 0.910 111 L HN 0.588 nan 8.230 nan 0.000 0.440 112 Q N -0.688 118.998 119.800 -0.191 0.000 2.226 112 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 112 Q C 2.082 177.950 176.000 -0.220 0.000 0.975 112 Q CA 1.851 57.588 55.803 -0.110 0.000 0.866 112 Q CB -0.204 28.615 28.738 0.135 0.000 0.915 112 Q HN 0.523 nan 8.270 nan 0.000 0.440 113 T N 1.399 115.836 114.554 -0.195 0.000 2.833 113 T HA -0.132 4.218 4.350 0.000 0.000 0.269 113 T C 1.756 176.323 174.700 -0.221 0.000 1.054 113 T CA 0.763 62.770 62.100 -0.155 0.000 1.135 113 T CB -0.147 68.647 68.868 -0.123 0.000 0.869 113 T HN 0.141 nan 8.240 nan 0.000 0.466 114 L N 0.474 121.467 121.223 -0.384 0.000 2.005 114 L HA 0.066 4.406 4.340 0.000 0.000 0.207 114 L C 1.993 178.661 176.870 -0.337 0.000 1.072 114 L CA 1.722 56.332 54.840 -0.384 0.000 0.744 114 L CB -0.629 41.113 42.059 -0.527 0.000 0.895 114 L HN 0.273 nan 8.230 nan 0.000 0.433 115 F N -1.132 118.576 119.950 -0.404 0.000 2.146 115 F HA -0.184 4.343 4.527 0.000 0.000 0.298 115 F C 2.513 178.144 175.800 -0.282 0.000 1.096 115 F CA 0.923 58.562 58.000 -0.601 0.000 1.275 115 F CB -0.698 37.549 39.000 -1.254 0.000 1.008 115 F HN 0.026 nan 8.300 nan 0.000 0.480 116 S N -0.168 115.485 115.700 -0.078 0.000 2.368 116 S HA -0.290 4.180 4.470 0.000 0.000 0.225 116 S C 1.957 176.663 174.600 0.178 0.000 1.030 116 S CA 1.401 59.699 58.200 0.163 0.000 0.999 116 S CB -0.518 62.760 63.200 0.129 0.000 0.844 116 S HN 0.438 nan 8.310 nan 0.000 0.459 117 Q N 0.969 120.813 119.800 0.074 0.000 2.096 117 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 117 Q C 2.229 178.341 176.000 0.187 0.000 0.982 117 Q CA 1.562 57.402 55.803 0.062 0.000 0.850 117 Q CB -0.351 28.349 28.738 -0.063 0.000 0.901 117 Q HN 0.564 nan 8.270 nan 0.000 0.422 118 A N -0.207 122.761 122.820 0.247 0.000 1.902 118 A HA -0.211 4.109 4.320 0.000 0.000 0.217 118 A C 1.886 179.639 177.584 0.282 0.000 1.181 118 A CA 1.358 53.580 52.037 0.309 0.000 0.623 118 A CB -1.096 18.168 19.000 0.440 0.000 0.818 118 A HN 0.662 nan 8.150 nan 0.000 0.443 119 Y N 0.615 121.041 120.300 0.211 0.000 2.128 119 Y HA -0.224 4.326 4.550 0.000 0.000 0.284 119 Y C 2.998 178.989 175.900 0.152 0.000 1.154 119 Y CA 2.055 60.275 58.100 0.199 0.000 1.149 119 Y CB -0.260 38.359 38.460 0.265 0.000 0.976 119 Y HN 0.353 nan 8.280 nan 0.000 0.505 120 S N -0.261 115.643 115.700 0.339 0.000 2.419 120 S HA -0.172 4.298 4.470 0.000 0.000 0.233 120 S C 1.959 176.646 174.600 0.146 0.000 1.016 120 S CA 0.972 59.309 58.200 0.228 0.000 0.974 120 S CB -0.610 62.699 63.200 0.181 0.000 0.786 120 S HN 0.537 nan 8.310 nan 0.000 0.492 121 A N -0.410 122.504 122.820 0.158 0.000 2.208 121 A HA 0.497 4.817 4.320 0.000 0.000 0.209 121 A C 1.686 179.300 177.584 0.050 0.000 1.161 121 A CA 0.931 53.048 52.037 0.134 0.000 0.782 121 A CB -0.841 18.280 19.000 0.201 0.000 0.816 121 A HN 1.331 nan 8.150 nan 0.000 0.477 122 G N -2.298 106.492 108.800 -0.017 0.000 2.184 122 G HA2 0.145 4.105 3.960 0.000 0.000 0.206 122 G HA3 0.145 4.105 3.960 0.000 0.000 0.206 122 G C 0.423 175.253 174.900 -0.116 0.000 0.995 122 G CA 0.078 45.121 45.100 -0.095 0.000 0.651 122 G HN 1.503 nan 8.290 nan 0.000 0.511 123 A N 0.183 122.973 122.820 -0.050 0.000 2.425 123 A HA 0.699 5.019 4.320 0.000 0.000 0.249 123 A C 1.244 178.801 177.584 -0.046 0.000 1.084 123 A CA 0.364 52.394 52.037 -0.012 0.000 0.781 123 A CB 0.312 19.353 19.000 0.069 0.000 1.019 123 A HN 0.267 nan 8.150 nan 0.000 0.490 124 R N 0.844 121.336 120.500 -0.013 0.000 2.509 124 R HA 0.341 4.681 4.340 0.000 0.000 0.297 124 R C -0.825 175.516 176.300 0.069 0.000 0.951 124 R CA 0.357 56.468 56.100 0.020 0.000 1.103 124 R CB -0.025 30.264 30.300 -0.019 0.000 1.283 124 R HN 0.730 nan 8.270 nan 0.000 0.534 125 I N 0.207 120.816 120.570 0.065 0.000 2.569 125 I HA 0.292 4.462 4.170 0.000 0.000 0.290 125 I C -0.646 175.512 176.117 0.069 0.000 1.088 125 I CA -0.806 60.527 61.300 0.055 0.000 1.047 125 I CB 2.614 40.623 38.000 0.016 0.000 1.237 125 I HN -0.094 nan 8.210 nan 0.000 0.421 126 H N 3.878 122.924 119.070 -0.040 0.000 3.013 126 H HA 0.408 4.964 4.556 0.000 0.000 0.326 126 H C -1.635 173.603 175.328 -0.150 0.000 0.973 126 H CA -0.144 55.873 56.048 -0.051 0.000 1.369 126 H CB 2.115 31.875 29.762 -0.003 0.000 1.598 126 H HN 0.589 nan 8.280 nan 0.000 0.518 127 T N 3.988 118.393 114.554 -0.250 0.000 2.829 127 T HA 0.441 4.792 4.350 0.000 0.000 0.280 127 T C -0.917 173.600 174.700 -0.305 0.000 0.999 127 T CA -0.727 61.228 62.100 -0.242 0.000 0.983 127 T CB 0.322 69.087 68.868 -0.171 0.000 0.968 127 T HN 0.723 nan 8.240 nan 0.000 0.446 128 N N 2.533 120.935 118.700 -0.495 0.000 2.609 128 N HA 0.287 5.027 4.740 0.000 0.000 0.268 128 N C -0.864 174.338 175.510 -0.514 0.000 1.106 128 N CA -0.543 52.115 53.050 -0.654 0.000 0.823 128 N CB 1.633 39.159 38.487 -1.601 0.000 1.263 128 N HN 0.331 nan 8.380 nan 0.000 0.533 129 S N 2.882 118.529 115.700 -0.089 0.000 3.983 129 S HA 0.210 4.680 4.470 0.000 0.000 0.194 129 S C -0.793 173.973 174.600 0.277 0.000 1.464 129 S CA -0.685 57.572 58.200 0.095 0.000 1.021 129 S CB -0.683 62.633 63.200 0.194 0.000 1.424 129 S HN 0.580 nan 8.310 nan 0.000 0.473 130 W N -0.788 120.602 121.300 0.150 0.000 3.066 130 W HA 0.701 5.361 4.660 0.000 0.000 0.330 130 W C -0.298 176.343 176.519 0.204 0.000 1.253 130 W CA -1.129 56.292 57.345 0.127 0.000 1.187 130 W CB 0.698 30.207 29.460 0.081 0.000 1.434 130 W HN 0.363 nan 8.180 nan 0.000 0.572 131 G N -0.328 108.784 108.800 0.520 0.000 2.313 131 G HA2 0.618 4.578 3.960 0.000 0.000 0.296 131 G HA3 0.618 4.578 3.960 0.000 0.000 0.296 131 G C -2.352 172.681 174.900 0.223 0.000 1.356 131 G CA -0.182 45.127 45.100 0.349 0.000 0.833 131 G HN 1.118 nan 8.290 nan 0.000 0.552 132 A N -0.700 122.201 122.820 0.136 0.000 2.330 132 A HA 0.863 5.183 4.320 0.000 0.000 0.327 132 A C 0.506 178.119 177.584 0.049 0.000 1.155 132 A CA 0.294 52.380 52.037 0.081 0.000 0.803 132 A CB 1.386 20.425 19.000 0.066 0.000 1.208 132 A HN 2.348 nan 8.150 nan 0.000 0.477 133 A N 2.371 125.217 122.820 0.043 0.000 3.026 133 A HA 0.425 4.745 4.320 0.000 0.000 0.272 133 A C 0.711 178.311 177.584 0.026 0.000 1.782 133 A CA 0.308 52.366 52.037 0.036 0.000 1.451 133 A CB -1.195 17.828 19.000 0.038 0.000 1.081 133 A HN 1.803 nan 8.150 nan 0.000 0.611 134 V N -1.324 118.602 119.914 0.020 0.000 3.249 134 V HA 0.192 4.312 4.120 0.000 0.000 0.338 134 V C 0.401 176.506 176.094 0.017 0.000 1.363 134 V CA -0.474 61.836 62.300 0.016 0.000 1.205 134 V CB -1.406 30.423 31.823 0.011 0.000 1.164 134 V HN 0.723 nan 8.190 nan 0.000 0.458 135 N N 2.070 120.781 118.700 0.019 0.000 2.705 135 N HA -0.226 4.514 4.740 0.000 0.000 0.255 135 N C 1.255 176.776 175.510 0.019 0.000 1.008 135 N CA 1.343 54.404 53.050 0.018 0.000 0.742 135 N CB -1.262 37.236 38.487 0.018 0.000 0.906 135 N HN 1.386 nan 8.380 nan 0.000 0.541 136 G N -2.192 106.619 108.800 0.017 0.000 2.176 136 G HA2 -0.208 3.752 3.960 0.000 0.000 0.253 136 G HA3 -0.208 3.752 3.960 0.000 0.000 0.253 136 G C 0.304 175.228 174.900 0.040 0.000 0.979 136 G CA 0.795 45.908 45.100 0.022 0.000 0.641 136 G HN 1.066 nan 8.290 nan 0.000 0.530 137 A N -0.406 122.437 122.820 0.038 0.000 2.407 137 A HA 0.578 4.898 4.320 0.000 0.000 0.248 137 A C -0.154 177.481 177.584 0.086 0.000 1.082 137 A CA 0.012 52.087 52.037 0.063 0.000 0.785 137 A CB 0.398 19.424 19.000 0.045 0.000 1.020 137 A HN 1.297 nan 8.150 nan 0.000 0.489 138 Y N 2.661 122.950 120.300 -0.017 0.000 2.518 138 Y HA 0.405 4.955 4.550 -0.000 0.000 0.344 138 Y C 0.995 176.885 175.900 -0.015 0.000 0.982 138 Y CA 0.235 58.321 58.100 -0.023 0.000 1.234 138 Y CB 0.455 38.907 38.460 -0.014 0.000 1.114 138 Y HN 0.861 nan 8.280 nan 0.000 0.515 139 T N -0.184 114.252 114.554 -0.196 0.000 2.880 139 T HA 0.178 4.528 4.350 0.000 0.000 0.279 139 T C 1.250 175.847 174.700 -0.172 0.000 0.990 139 T CA -0.220 61.812 62.100 -0.113 0.000 0.938 139 T CB 1.193 70.009 68.868 -0.087 0.000 1.206 139 T HN 0.497 nan 8.240 nan 0.000 0.573 140 T N 0.923 115.433 114.554 -0.073 0.000 2.737 140 T HA -0.131 4.219 4.350 0.000 0.000 0.269 140 T C 1.443 176.090 174.700 -0.087 0.000 1.040 140 T CA 1.770 63.838 62.100 -0.053 0.000 1.142 140 T CB -0.644 68.214 68.868 -0.016 0.000 0.861 140 T HN 0.625 nan 8.240 nan 0.000 0.456 141 D N 0.773 121.115 120.400 -0.097 0.000 2.117 141 D HA -0.028 4.612 4.640 0.000 0.000 0.197 141 D C 2.486 178.678 176.300 -0.181 0.000 0.987 141 D CA 0.924 54.879 54.000 -0.075 0.000 0.829 141 D CB -0.372 40.412 40.800 -0.027 0.000 0.961 141 D HN 0.278 nan 8.370 nan 0.000 0.460 142 S N 0.262 115.740 115.700 -0.371 0.000 2.368 142 S HA -0.175 4.295 4.470 0.000 0.000 0.225 142 S C 1.885 176.148 174.600 -0.561 0.000 1.030 142 S CA 0.862 58.696 58.200 -0.611 0.000 0.999 142 S CB -0.031 62.554 63.200 -1.025 0.000 0.844 142 S HN 0.261 nan 8.310 nan 0.000 0.459 143 R N 1.557 121.750 120.500 -0.512 0.000 2.083 143 R HA -0.102 4.238 4.340 0.000 0.000 0.237 143 R C 1.836 178.151 176.300 0.025 0.000 1.137 143 R CA 1.579 57.623 56.100 -0.094 0.000 0.951 143 R CB -0.350 29.980 30.300 0.050 0.000 0.851 143 R HN 0.304 nan 8.270 nan 0.000 0.434 144 N N 0.228 118.941 118.700 0.022 0.000 2.166 144 N HA -0.132 4.608 4.740 0.000 0.000 0.186 144 N C 1.850 177.482 175.510 0.203 0.000 1.019 144 N CA 1.285 54.403 53.050 0.114 0.000 0.856 144 N CB -0.222 38.322 38.487 0.095 0.000 0.993 144 N HN 0.076 nan 8.380 nan 0.000 0.426 145 V N 1.838 121.849 119.914 0.161 0.000 2.287 145 V HA -0.228 3.893 4.120 0.000 0.000 0.248 145 V C 1.750 177.907 176.094 0.105 0.000 1.053 145 V CA 1.768 64.164 62.300 0.159 0.000 1.027 145 V CB -0.469 31.375 31.823 0.034 0.000 0.646 145 V HN 0.184 nan 8.190 nan 0.000 0.447 146 D N -0.425 120.022 120.400 0.080 0.000 2.117 146 D HA -0.162 4.478 4.640 0.000 0.000 0.198 146 D C 1.967 178.333 176.300 0.110 0.000 0.982 146 D CA 1.496 55.557 54.000 0.102 0.000 0.828 146 D CB -0.401 40.501 40.800 0.170 0.000 0.967 146 D HN 0.447 nan 8.370 nan 0.000 0.464 147 D N -0.816 119.662 120.400 0.129 0.000 2.123 147 D HA -0.205 4.435 4.640 0.000 0.000 0.196 147 D C 1.956 178.317 176.300 0.102 0.000 0.992 147 D CA 0.842 54.908 54.000 0.111 0.000 0.833 147 D CB -0.212 40.660 40.800 0.120 0.000 0.954 147 D HN 0.209 nan 8.370 nan 0.000 0.455 148 Y N 0.262 120.591 120.300 0.049 0.000 2.145 148 Y HA -0.166 4.384 4.550 -0.000 0.000 0.286 148 Y C 2.270 178.154 175.900 -0.026 0.000 1.145 148 Y CA 1.389 59.507 58.100 0.031 0.000 1.148 148 Y CB -0.319 38.207 38.460 0.110 0.000 0.981 148 Y HN -0.118 nan 8.280 nan 0.000 0.507 149 V N 0.441 120.388 119.914 0.054 0.000 2.407 149 V HA -0.293 3.827 4.120 0.000 0.000 0.248 149 V C 2.386 178.442 176.094 -0.063 0.000 1.055 149 V CA 2.189 64.476 62.300 -0.021 0.000 1.049 149 V CB -0.684 31.145 31.823 0.009 0.000 0.662 149 V HN 0.304 nan 8.190 nan 0.000 0.455 150 R N 0.104 120.586 120.500 -0.030 0.000 2.152 150 R HA -0.124 4.216 4.340 0.000 0.000 0.232 150 R C 2.071 178.329 176.300 -0.071 0.000 1.117 150 R CA 1.364 57.453 56.100 -0.018 0.000 0.981 150 R CB -0.004 30.310 30.300 0.024 0.000 0.870 150 R HN 0.461 nan 8.270 nan 0.000 0.451 151 K N -0.921 119.388 120.400 -0.151 0.000 2.354 151 K HA 0.154 4.474 4.320 0.000 0.000 0.194 151 K C -0.241 176.180 176.600 -0.298 0.000 1.038 151 K CA 0.079 56.248 56.287 -0.196 0.000 1.052 151 K CB 0.585 32.961 32.500 -0.207 0.000 0.861 151 K HN 0.135 nan 8.250 nan 0.000 0.535 152 N N 0.788 119.255 118.700 -0.388 0.000 2.284 152 N HA 0.030 4.770 4.740 0.000 0.000 0.289 152 N C -1.548 173.860 175.510 -0.170 0.000 1.179 152 N CA -0.520 52.271 53.050 -0.432 0.000 0.774 152 N CB 1.965 39.897 38.487 -0.925 0.000 1.548 152 N HN -0.107 nan 8.380 nan 0.000 0.473 153 D N 1.423 121.826 120.400 0.005 0.000 2.671 153 D HA 0.166 4.806 4.640 0.000 0.000 0.228 153 D C -0.813 175.626 176.300 0.232 0.000 1.102 153 D CA 0.103 54.176 54.000 0.121 0.000 1.044 153 D CB -0.186 40.709 40.800 0.159 0.000 1.113 153 D HN 0.241 nan 8.370 nan 0.000 0.480 154 M N 1.200 120.903 119.600 0.172 0.000 2.142 154 M HA 0.333 4.813 4.480 0.000 0.000 0.299 154 M C -0.944 175.408 176.300 0.086 0.000 0.960 154 M CA -0.381 55.046 55.300 0.212 0.000 0.920 154 M CB 1.847 34.677 32.600 0.384 0.000 1.541 154 M HN -0.155 nan 8.290 nan 0.000 0.429 155 T N 6.441 121.030 114.554 0.058 0.000 2.749 155 T HA 0.558 4.908 4.350 0.000 0.000 0.295 155 T C -0.147 174.549 174.700 -0.007 0.000 0.936 155 T CA -0.090 62.018 62.100 0.014 0.000 1.060 155 T CB -0.141 68.731 68.868 0.007 0.000 0.904 155 T HN 0.542 nan 8.240 nan 0.000 0.500 156 I N 4.412 124.952 120.570 -0.050 0.000 2.404 156 I HA 0.431 4.601 4.170 0.000 0.000 0.293 156 I C -0.785 175.295 176.117 -0.061 0.000 0.992 156 I CA -0.955 60.281 61.300 -0.107 0.000 1.149 156 I CB 1.584 39.422 38.000 -0.269 0.000 1.315 156 I HN 0.317 nan 8.210 nan 0.000 0.446 157 L N 6.341 127.480 121.223 -0.139 0.000 2.346 157 L HA 0.571 4.912 4.340 0.000 0.000 0.274 157 L C -0.935 175.732 176.870 -0.338 0.000 1.007 157 L CA -0.179 54.588 54.840 -0.123 0.000 0.818 157 L CB 1.587 43.586 42.059 -0.099 0.000 1.284 157 L HN 0.310 nan 8.230 nan 0.000 0.424 158 F N 0.847 120.723 119.950 -0.123 0.000 2.565 158 F HA 0.739 5.266 4.527 -0.000 0.000 0.313 158 F C 0.396 176.124 175.800 -0.120 0.000 1.091 158 F CA -0.816 57.071 58.000 -0.189 0.000 0.915 158 F CB 1.887 40.745 39.000 -0.238 0.000 1.208 158 F HN 0.517 nan 8.300 nan 0.000 0.453 159 A N 1.431 124.287 122.820 0.059 0.000 2.445 159 A HA 0.492 4.812 4.320 0.000 0.000 0.242 159 A C 1.052 178.690 177.584 0.090 0.000 1.075 159 A CA 0.343 52.423 52.037 0.072 0.000 0.777 159 A CB 0.169 19.216 19.000 0.079 0.000 1.013 159 A HN 1.068 nan 8.150 nan 0.000 0.493 160 A N 1.624 124.491 122.820 0.078 0.000 2.015 160 A HA 0.448 4.769 4.320 0.000 0.000 0.219 160 A C 1.474 179.100 177.584 0.070 0.000 1.163 160 A CA 1.689 53.763 52.037 0.061 0.000 0.646 160 A CB -0.881 18.148 19.000 0.050 0.000 0.806 160 A HN 2.846 nan 8.150 nan 0.000 0.448 161 G N -1.711 107.150 108.800 0.102 0.000 2.515 161 G HA2 0.024 3.984 3.960 0.000 0.000 0.686 161 G HA3 0.024 3.984 3.960 0.000 0.000 0.686 161 G C -0.797 174.199 174.900 0.159 0.000 1.274 161 G CA -0.247 44.920 45.100 0.111 0.000 0.874 161 G HN 0.199 nan 8.290 nan 0.000 0.631 162 N N 0.631 119.428 118.700 0.162 0.000 2.535 162 N HA 0.215 4.955 4.740 0.000 0.000 0.294 162 N C 0.253 175.886 175.510 0.206 0.000 1.408 162 N CA -0.145 53.051 53.050 0.244 0.000 0.927 162 N CB 1.013 39.588 38.487 0.146 0.000 1.276 162 N HN 0.545 nan 8.380 nan 0.000 0.505 163 E N -0.176 120.115 120.200 0.151 0.000 2.569 163 E HA 0.171 4.521 4.350 0.000 0.000 0.205 163 E C 1.018 177.679 176.600 0.100 0.000 1.006 163 E CA -0.305 56.163 56.400 0.113 0.000 0.985 163 E CB 0.588 30.332 29.700 0.074 0.000 1.060 163 E HN 0.283 nan 8.360 nan 0.000 0.460 164 G N 2.390 111.262 108.800 0.120 0.000 2.653 164 G HA2 0.161 4.121 3.960 0.000 0.000 0.265 164 G HA3 0.161 4.121 3.960 0.000 0.000 0.265 164 G C -1.649 173.297 174.900 0.076 0.000 1.237 164 G CA -0.749 44.392 45.100 0.069 0.000 0.946 164 G HN -0.061 nan 8.290 nan 0.000 0.522 165 P HA 0.067 nan 4.420 nan 0.000 0.262 165 P C 0.171 177.468 177.300 -0.005 0.000 1.304 165 P CA -0.422 62.677 63.100 -0.002 0.000 0.859 165 P CB 0.170 31.854 31.700 -0.026 0.000 1.310 166 N N 0.865 119.570 118.700 0.009 0.000 2.479 166 N HA 0.223 4.963 4.740 0.000 0.000 0.257 166 N C 0.620 176.130 175.510 -0.001 0.000 1.232 166 N CA 0.371 53.423 53.050 0.003 0.000 0.920 166 N CB 0.216 38.709 38.487 0.010 0.000 1.105 166 N HN -0.056 nan 8.380 nan 0.000 0.444 167 G N 0.202 108.996 108.800 -0.009 0.000 2.606 167 G HA2 0.410 4.370 3.960 0.000 0.000 0.252 167 G HA3 0.410 4.370 3.960 0.000 0.000 0.252 167 G C 0.579 175.476 174.900 -0.004 0.000 1.206 167 G CA -0.141 44.952 45.100 -0.012 0.000 0.861 167 G HN 1.095 nan 8.290 nan 0.000 0.561 168 G N -0.519 108.278 108.800 -0.006 0.000 2.246 168 G HA2 -0.128 3.832 3.960 0.000 0.000 0.273 168 G HA3 -0.128 3.832 3.960 0.000 0.000 0.273 168 G C 0.717 175.622 174.900 0.008 0.000 1.055 168 G CA 1.195 46.295 45.100 0.001 0.000 0.851 168 G HN 1.743 nan 8.290 nan 0.000 0.500 169 T N -1.961 112.599 114.554 0.011 0.000 3.182 169 T HA 0.537 4.887 4.350 0.000 0.000 0.277 169 T C 0.831 175.546 174.700 0.024 0.000 1.013 169 T CA -0.553 61.560 62.100 0.021 0.000 0.900 169 T CB 0.644 69.530 68.868 0.030 0.000 1.098 169 T HN 0.296 nan 8.240 nan 0.000 0.543 170 I N 3.041 123.619 120.570 0.015 0.000 2.618 170 I HA 0.187 4.357 4.170 0.000 0.000 0.284 170 I C 0.773 176.895 176.117 0.009 0.000 1.146 170 I CA -0.063 61.244 61.300 0.012 0.000 1.425 170 I CB 0.191 38.192 38.000 0.001 0.000 1.383 170 I HN 0.223 nan 8.210 nan 0.000 0.562 171 S N 4.720 120.427 115.700 0.011 0.000 2.603 171 S HA 0.529 4.999 4.470 0.000 0.000 0.268 171 S C 0.334 174.901 174.600 -0.054 0.000 1.317 171 S CA -0.701 57.500 58.200 0.002 0.000 1.012 171 S CB 1.367 64.586 63.200 0.031 0.000 0.926 171 S HN 0.764 nan 8.310 nan 0.000 0.539 172 A N 2.129 124.905 122.820 -0.073 0.000 2.306 172 A HA 0.615 4.935 4.320 0.000 0.000 0.314 172 A C -2.265 175.186 177.584 -0.222 0.000 1.164 172 A CA -1.758 50.179 52.037 -0.167 0.000 0.822 172 A CB 0.298 19.225 19.000 -0.122 0.000 1.130 172 A HN 0.520 nan 8.150 nan 0.000 0.496 173 P HA 0.091 nan 4.420 nan 0.000 0.253 173 P C 1.308 178.117 177.300 -0.818 0.000 1.281 173 P CA 0.743 63.358 63.100 -0.809 0.000 0.792 173 P CB 0.247 31.149 31.700 -1.330 0.000 1.193 174 G N 0.487 108.983 108.800 -0.505 0.000 2.501 174 G HA2 -0.240 3.720 3.960 0.000 0.000 0.220 174 G HA3 -0.240 3.720 3.960 0.000 0.000 0.220 174 G C 1.321 176.144 174.900 -0.129 0.000 1.114 174 G CA 1.319 46.296 45.100 -0.204 0.000 0.757 174 G HN 0.358 nan 8.290 nan 0.000 0.559 175 T N -1.440 113.028 114.554 -0.144 0.000 3.118 175 T HA 0.485 4.835 4.350 0.000 0.000 0.260 175 T C 1.323 176.021 174.700 -0.003 0.000 1.139 175 T CA 0.388 62.463 62.100 -0.043 0.000 1.085 175 T CB 0.018 68.881 68.868 -0.009 0.000 0.934 175 T HN 0.403 nan 8.240 nan 0.000 0.518 176 A N 1.574 124.316 122.820 -0.131 0.000 2.540 176 A HA 0.268 4.588 4.320 0.000 0.000 0.239 176 A C 1.336 178.953 177.584 0.054 0.000 1.061 176 A CA -0.261 51.738 52.037 -0.063 0.000 0.758 176 A CB 0.207 19.106 19.000 -0.167 0.000 0.991 176 A HN 0.462 nan 8.150 nan 0.000 0.502 177 K N 1.200 121.690 120.400 0.149 0.000 2.148 177 K HA -0.090 4.230 4.320 0.000 0.000 0.204 177 K C 0.570 177.168 176.600 -0.004 0.000 1.050 177 K CA 1.503 57.822 56.287 0.053 0.000 0.942 177 K CB 0.046 32.563 32.500 0.028 0.000 0.724 177 K HN 0.690 nan 8.250 nan 0.000 0.446 178 N N -0.166 118.546 118.700 0.020 0.000 2.236 178 N HA 0.094 4.834 4.740 0.000 0.000 0.196 178 N C -0.270 175.245 175.510 0.008 0.000 1.114 178 N CA 0.057 53.109 53.050 0.003 0.000 0.859 178 N CB 0.693 39.193 38.487 0.022 0.000 0.982 178 N HN 0.074 nan 8.380 nan 0.000 0.493 179 A N 0.465 123.299 122.820 0.023 0.000 2.271 179 A HA 0.551 4.871 4.320 0.000 0.000 0.288 179 A C 0.099 177.712 177.584 0.049 0.000 1.094 179 A CA -0.429 51.641 52.037 0.054 0.000 0.828 179 A CB 0.350 19.438 19.000 0.148 0.000 1.091 179 A HN 0.147 nan 8.150 nan 0.000 0.493 180 I N 1.623 122.224 120.570 0.051 0.000 2.301 180 I HA 0.179 4.349 4.170 0.000 0.000 0.292 180 I C -0.096 176.060 176.117 0.065 0.000 1.046 180 I CA 0.123 61.452 61.300 0.049 0.000 1.282 180 I CB 0.856 38.875 38.000 0.031 0.000 1.409 180 I HN 0.486 nan 8.210 nan 0.000 0.484 181 T N 6.119 120.713 114.554 0.068 0.000 2.799 181 T HA 0.431 4.781 4.350 0.000 0.000 0.286 181 T C -0.029 174.703 174.700 0.052 0.000 0.973 181 T CA -0.422 61.719 62.100 0.069 0.000 1.035 181 T CB 1.619 70.516 68.868 0.050 0.000 0.932 181 T HN 0.186 nan 8.240 nan 0.000 0.469 182 V N 2.910 122.854 119.914 0.049 0.000 2.448 182 V HA 0.724 4.844 4.120 0.000 0.000 0.295 182 V C 0.730 176.850 176.094 0.044 0.000 1.025 182 V CA -0.798 61.526 62.300 0.041 0.000 0.859 182 V CB 1.700 33.542 31.823 0.031 0.000 0.988 182 V HN 1.019 nan 8.190 nan 0.000 0.431 183 G N 2.650 111.470 108.800 0.033 0.000 2.491 183 G HA2 0.712 4.672 3.960 0.000 0.000 0.327 183 G HA3 0.712 4.672 3.960 0.000 0.000 0.327 183 G C -0.556 174.363 174.900 0.032 0.000 1.189 183 G CA -0.396 44.723 45.100 0.031 0.000 0.956 183 G HN 1.077 nan 8.290 nan 0.000 0.491 184 A N 0.428 123.260 122.820 0.021 0.000 2.271 184 A HA 0.735 5.055 4.320 0.000 0.000 0.317 184 A C 0.632 178.195 177.584 -0.034 0.000 1.245 184 A CA -0.259 51.789 52.037 0.018 0.000 0.857 184 A CB 0.538 19.585 19.000 0.078 0.000 1.175 184 A HN 1.084 nan 8.150 nan 0.000 0.512 185 T N 0.470 115.028 114.554 0.006 0.000 2.849 185 T HA 0.537 4.887 4.350 0.000 0.000 0.276 185 T C -0.044 174.690 174.700 0.056 0.000 0.971 185 T CA -0.748 61.361 62.100 0.016 0.000 0.949 185 T CB 0.569 69.454 68.868 0.027 0.000 1.093 185 T HN 0.622 nan 8.240 nan 0.000 0.545 186 E N 1.107 121.357 120.200 0.083 0.000 2.301 186 E HA 0.250 4.600 4.350 0.000 0.000 0.275 186 E C -0.184 176.494 176.600 0.129 0.000 1.030 186 E CA -0.752 55.733 56.400 0.142 0.000 0.852 186 E CB 0.718 30.508 29.700 0.151 0.000 1.060 186 E HN 0.449 nan 8.360 nan 0.000 0.401 187 N N 1.605 120.414 118.700 0.182 0.000 2.399 187 N HA 0.056 4.796 4.740 0.000 0.000 0.250 187 N C -1.128 174.472 175.510 0.150 0.000 1.272 187 N CA -0.298 52.848 53.050 0.161 0.000 0.928 187 N CB 0.531 39.139 38.487 0.202 0.000 1.158 187 N HN 0.238 nan 8.380 nan 0.000 0.463 188 L N 2.796 124.087 121.223 0.113 0.000 2.314 188 L HA 0.389 4.729 4.340 0.000 0.000 0.275 188 L C -0.378 176.562 176.870 0.116 0.000 1.068 188 L CA 0.154 55.047 54.840 0.089 0.000 0.894 188 L CB -0.369 41.718 42.059 0.046 0.000 1.275 188 L HN 0.494 nan 8.230 nan 0.000 0.432 189 R N 5.132 125.721 120.500 0.148 0.000 2.655 189 R HA 0.267 4.607 4.340 0.000 0.000 0.261 189 R C -1.979 174.390 176.300 0.115 0.000 1.624 189 R CA -1.078 55.126 56.100 0.174 0.000 1.655 189 R CB 0.776 31.252 30.300 0.293 0.000 1.356 189 R HN 0.343 nan 8.270 nan 0.000 0.684 190 P HA -0.136 nan 4.420 nan 0.000 0.226 190 P C 1.156 178.422 177.300 -0.058 0.000 1.153 190 P CA 1.071 64.178 63.100 0.012 0.000 0.777 190 P CB 0.339 32.038 31.700 -0.001 0.000 0.794 191 S N -1.103 114.516 115.700 -0.135 0.000 2.442 191 S HA -0.099 4.371 4.470 0.000 0.000 0.236 191 S C 1.523 175.874 174.600 -0.414 0.000 1.007 191 S CA 0.678 58.712 58.200 -0.276 0.000 0.965 191 S CB -1.637 61.347 63.200 -0.359 0.000 0.773 191 S HN 0.054 nan 8.310 nan 0.000 0.504 192 F N 2.537 122.292 119.950 -0.324 0.000 2.797 192 F HA 0.420 4.947 4.527 0.000 0.000 0.302 192 F C 1.733 177.354 175.800 -0.297 0.000 1.130 192 F CA 0.426 58.097 58.000 -0.549 0.000 1.387 192 F CB -0.090 38.016 39.000 -1.491 0.000 1.107 192 F HN 0.572 nan 8.300 nan 0.000 0.577 193 G N 0.098 108.903 108.800 0.008 0.000 2.466 193 G HA2 -0.231 3.729 3.960 0.000 0.000 0.316 193 G HA3 -0.231 3.729 3.960 0.000 0.000 0.316 193 G C 0.730 175.732 174.900 0.170 0.000 1.270 193 G CA -0.259 44.900 45.100 0.099 0.000 0.982 193 G HN 0.244 nan 8.290 nan 0.000 0.506 194 S N -1.410 114.399 115.700 0.180 0.000 2.474 194 S HA -0.030 4.440 4.470 0.000 0.000 0.235 194 S C 1.736 176.431 174.600 0.157 0.000 0.997 194 S CA 2.052 60.330 58.200 0.131 0.000 0.949 194 S CB -0.237 62.994 63.200 0.052 0.000 0.766 194 S HN 0.695 nan 8.310 nan 0.000 0.517 195 Y N 1.585 122.043 120.300 0.262 0.000 2.546 195 Y HA 0.456 5.006 4.550 0.000 0.000 0.287 195 Y C 1.689 177.827 175.900 0.397 0.000 1.158 195 Y CA 0.370 58.684 58.100 0.357 0.000 1.307 195 Y CB 0.118 38.865 38.460 0.478 0.000 1.036 195 Y HN 0.464 nan 8.280 nan 0.000 0.532 196 A N -0.311 122.768 122.820 0.432 0.000 3.045 196 A HA 0.256 4.576 4.320 0.000 0.000 0.244 196 A C 0.063 177.745 177.584 0.163 0.000 0.917 196 A CA -0.090 52.145 52.037 0.330 0.000 1.075 196 A CB -0.432 18.807 19.000 0.399 0.000 1.202 196 A HN 0.290 nan 8.150 nan 0.000 0.486 197 D N -1.259 119.197 120.400 0.093 0.000 2.469 197 D HA 0.103 4.743 4.640 0.000 0.000 0.213 197 D C -0.085 176.145 176.300 -0.116 0.000 1.135 197 D CA 0.028 54.031 54.000 0.004 0.000 0.834 197 D CB 0.232 41.037 40.800 0.007 0.000 1.009 197 D HN 0.149 nan 8.370 nan 0.000 0.507 198 N N 1.174 119.746 118.700 -0.213 0.000 2.549 198 N HA 0.125 4.865 4.740 0.000 0.000 0.290 198 N C 0.784 176.171 175.510 -0.206 0.000 1.122 198 N CA -0.506 52.314 53.050 -0.383 0.000 0.885 198 N CB 1.551 39.367 38.487 -1.118 0.000 1.455 198 N HN 0.098 nan 8.380 nan 0.000 0.521 199 I N -0.078 120.435 120.570 -0.096 0.000 2.916 199 I HA 0.053 4.223 4.170 0.000 0.000 0.267 199 I C 0.217 176.326 176.117 -0.014 0.000 1.263 199 I CA 0.867 62.151 61.300 -0.026 0.000 1.471 199 I CB 0.021 38.015 38.000 -0.011 0.000 1.089 199 I HN 0.167 nan 8.210 nan 0.000 0.468 200 N N 0.254 118.934 118.700 -0.034 0.000 2.235 200 N HA 0.132 4.872 4.740 0.000 0.000 0.209 200 N C -0.384 175.190 175.510 0.108 0.000 1.122 200 N CA 0.109 53.168 53.050 0.015 0.000 0.845 200 N CB 0.001 38.490 38.487 0.003 0.000 1.004 200 N HN 0.599 nan 8.380 nan 0.000 0.499 201 H N 0.050 119.102 119.070 -0.031 0.000 2.562 201 H HA 0.250 4.806 4.556 0.000 0.000 0.314 201 H C -0.058 175.231 175.328 -0.064 0.000 1.079 201 H CA -0.729 55.288 56.048 -0.050 0.000 1.349 201 H CB 1.806 31.538 29.762 -0.050 0.000 1.432 201 H HN -0.224 nan 8.280 nan 0.000 0.479 202 V N 3.025 122.943 119.914 0.006 0.000 2.572 202 V HA 0.055 4.175 4.120 0.000 0.000 0.291 202 V C 0.790 176.807 176.094 -0.128 0.000 1.039 202 V CA -0.447 61.814 62.300 -0.065 0.000 1.055 202 V CB 0.572 32.339 31.823 -0.093 0.000 0.969 202 V HN 0.863 nan 8.190 nan 0.000 0.482 203 A N 3.658 126.357 122.820 -0.202 0.000 2.531 203 A HA 0.058 4.378 4.320 0.000 0.000 0.236 203 A C 1.325 178.626 177.584 -0.472 0.000 1.062 203 A CA 0.265 52.069 52.037 -0.389 0.000 0.760 203 A CB -0.040 18.510 19.000 -0.750 0.000 0.995 203 A HN 1.006 nan 8.150 nan 0.000 0.501 204 Q N 1.105 120.706 119.800 -0.331 0.000 2.152 204 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 204 Q C 1.197 177.167 176.000 -0.050 0.000 0.985 204 Q CA 2.564 58.277 55.803 -0.149 0.000 0.863 204 Q CB -0.307 28.410 28.738 -0.036 0.000 0.904 204 Q HN 0.993 nan 8.270 nan 0.000 0.422 205 F N -1.271 118.786 119.950 0.178 0.000 2.710 205 F HA 0.330 4.857 4.527 0.000 0.000 0.298 205 F C 0.817 176.679 175.800 0.103 0.000 1.137 205 F CA -0.318 57.768 58.000 0.144 0.000 1.444 205 F CB -0.482 38.628 39.000 0.184 0.000 1.111 205 F HN -0.210 nan 8.300 nan 0.000 0.580 206 S N 1.344 116.936 115.700 -0.180 0.000 2.546 206 S HA 0.112 4.582 4.470 0.000 0.000 0.290 206 S C 0.553 175.183 174.600 0.050 0.000 1.290 206 S CA -0.408 57.786 58.200 -0.010 0.000 1.069 206 S CB 0.026 63.145 63.200 -0.135 0.000 0.846 206 S HN 0.373 nan 8.310 nan 0.000 0.495 207 S N 4.654 120.410 115.700 0.093 0.000 2.568 207 S HA 0.287 4.757 4.470 0.000 0.000 0.282 207 S C 0.023 174.632 174.600 0.015 0.000 1.338 207 S CA -0.390 57.845 58.200 0.058 0.000 1.045 207 S CB 0.199 63.437 63.200 0.063 0.000 0.873 207 S HN 0.598 nan 8.310 nan 0.000 0.516 208 R N 1.389 121.890 120.500 0.002 0.000 2.599 208 R HA 0.515 4.855 4.340 0.000 0.000 0.295 208 R C 0.591 176.875 176.300 -0.026 0.000 0.963 208 R CA -0.665 55.421 56.100 -0.024 0.000 0.883 208 R CB 0.843 31.124 30.300 -0.031 0.000 1.171 208 R HN 0.730 nan 8.270 nan 0.000 0.450 209 G N 2.541 111.313 108.800 -0.047 0.000 2.611 209 G HA2 0.328 4.288 3.960 0.000 0.000 0.273 209 G HA3 0.328 4.288 3.960 0.000 0.000 0.273 209 G C -2.125 172.750 174.900 -0.042 0.000 1.305 209 G CA -0.710 44.362 45.100 -0.048 0.000 1.010 209 G HN 0.313 nan 8.290 nan 0.000 0.509 210 P HA 0.202 nan 4.420 nan 0.000 0.277 210 P C 0.600 177.892 177.300 -0.012 0.000 1.271 210 P CA -0.228 62.854 63.100 -0.031 0.000 0.795 210 P CB 0.517 32.206 31.700 -0.019 0.000 1.101 211 T N -2.782 111.770 114.554 -0.004 0.000 2.689 211 T HA 0.093 4.443 4.350 0.000 0.000 0.308 211 T C 1.347 176.056 174.700 0.016 0.000 1.021 211 T CA -0.276 61.831 62.100 0.012 0.000 0.973 211 T CB 0.236 69.121 68.868 0.027 0.000 1.113 211 T HN 0.431 nan 8.240 nan 0.000 0.522 212 K N 0.377 120.793 120.400 0.026 0.000 2.147 212 K HA -0.145 4.175 4.320 0.000 0.000 0.205 212 K C 1.240 177.852 176.600 0.019 0.000 1.049 212 K CA 1.715 58.017 56.287 0.024 0.000 0.936 212 K CB -0.287 32.233 32.500 0.034 0.000 0.722 212 K HN 0.794 nan 8.250 nan 0.000 0.446 213 D N -1.364 119.046 120.400 0.017 0.000 2.358 213 D HA 0.088 4.728 4.640 0.000 0.000 0.224 213 D C 0.775 177.083 176.300 0.013 0.000 1.123 213 D CA 0.520 54.526 54.000 0.009 0.000 0.833 213 D CB 0.367 41.162 40.800 -0.007 0.000 0.946 213 D HN 0.374 nan 8.370 nan 0.000 0.505 214 G N 0.733 109.542 108.800 0.014 0.000 2.141 214 G HA2 -0.307 3.653 3.960 0.000 0.000 0.242 214 G HA3 -0.307 3.653 3.960 0.000 0.000 0.242 214 G C 0.245 175.156 174.900 0.018 0.000 0.982 214 G CA -0.242 44.867 45.100 0.016 0.000 0.662 214 G HN 0.440 nan 8.290 nan 0.000 0.527 215 R N -0.251 120.259 120.500 0.016 0.000 2.582 215 R HA 0.448 4.788 4.340 0.000 0.000 0.271 215 R C 0.798 177.097 176.300 -0.002 0.000 1.078 215 R CA -0.650 55.463 56.100 0.022 0.000 1.127 215 R CB 0.571 30.882 30.300 0.019 0.000 1.038 215 R HN 0.137 nan 8.270 nan 0.000 0.500 216 I N 3.342 123.912 120.570 -0.001 0.000 2.421 216 I HA 0.098 4.268 4.170 0.000 0.000 0.291 216 I C 0.234 176.299 176.117 -0.086 0.000 1.089 216 I CA 0.491 61.724 61.300 -0.112 0.000 1.354 216 I CB -0.068 37.755 38.000 -0.295 0.000 1.413 216 I HN 0.340 nan 8.210 nan 0.000 0.513 217 K N 8.162 128.506 120.400 -0.092 0.000 2.435 217 K HA 0.571 4.891 4.320 0.000 0.000 0.251 217 K C -2.555 173.993 176.600 -0.086 0.000 0.954 217 K CA -1.628 54.620 56.287 -0.064 0.000 0.820 217 K CB 3.032 35.520 32.500 -0.020 0.000 1.292 217 K HN 0.173 nan 8.250 nan 0.000 0.436 218 P HA 0.094 nan 4.420 nan 0.000 0.274 218 P C -0.155 177.118 177.300 -0.046 0.000 1.260 218 P CA -0.039 63.042 63.100 -0.031 0.000 0.793 218 P CB 0.961 32.655 31.700 -0.010 0.000 1.048 219 D N -1.081 119.340 120.400 0.036 0.000 2.149 219 D HA 0.021 4.661 4.640 0.000 0.000 0.206 219 D C 0.808 177.204 176.300 0.161 0.000 0.967 219 D CA 1.441 55.526 54.000 0.141 0.000 0.848 219 D CB 0.251 41.154 40.800 0.172 0.000 0.998 219 D HN 0.284 nan 8.370 nan 0.000 0.474 220 V N -2.513 117.461 119.914 0.101 0.000 3.160 220 V HA 0.597 4.717 4.120 0.000 0.000 0.310 220 V C -0.831 175.296 176.094 0.054 0.000 1.181 220 V CA -1.082 61.276 62.300 0.097 0.000 1.047 220 V CB 2.628 34.509 31.823 0.096 0.000 1.068 220 V HN -0.191 nan 8.190 nan 0.000 0.441 221 M N 1.623 121.254 119.600 0.051 0.000 2.598 221 M HA 0.945 5.425 4.480 0.000 0.000 0.317 221 M C -0.221 176.099 176.300 0.032 0.000 1.179 221 M CA -0.458 54.863 55.300 0.034 0.000 0.936 221 M CB 1.697 34.312 32.600 0.026 0.000 1.713 221 M HN 1.287 nan 8.290 nan 0.000 0.460 222 A N 2.186 125.024 122.820 0.030 0.000 2.587 222 A HA 0.911 5.231 4.320 0.000 0.000 0.293 222 A C -2.849 174.758 177.584 0.037 0.000 1.087 222 A CA -1.482 50.571 52.037 0.028 0.000 0.692 222 A CB 1.342 20.354 19.000 0.021 0.000 1.291 222 A HN 0.504 nan 8.150 nan 0.000 0.407 223 P HA 0.248 nan 4.420 nan 0.000 0.262 223 P C 0.688 178.028 177.300 0.068 0.000 1.182 223 P CA 0.925 64.062 63.100 0.062 0.000 0.761 223 P CB 0.701 32.439 31.700 0.063 0.000 0.795 224 G N 1.020 109.876 108.800 0.095 0.000 4.000 224 G HA2 0.147 4.107 3.960 0.000 0.000 0.260 224 G HA3 0.147 4.107 3.960 0.000 0.000 0.260 224 G C -0.156 174.801 174.900 0.094 0.000 1.047 224 G CA -0.059 45.096 45.100 0.092 0.000 0.860 224 G HN 0.564 nan 8.290 nan 0.000 0.464 225 T N -2.826 111.821 114.554 0.154 0.000 2.888 225 T HA 0.549 4.899 4.350 0.000 0.000 0.284 225 T C 0.285 175.076 174.700 0.152 0.000 1.017 225 T CA -0.851 61.348 62.100 0.164 0.000 1.022 225 T CB 1.391 70.601 68.868 0.569 0.000 1.013 225 T HN 0.443 nan 8.240 nan 0.000 0.465 226 F N 0.442 120.378 119.950 -0.023 0.000 2.907 226 F HA -0.135 4.393 4.527 0.000 0.000 0.244 226 F C 0.140 176.074 175.800 0.224 0.000 1.007 226 F CA -0.145 57.891 58.000 0.060 0.000 0.872 226 F CB -1.142 37.805 39.000 -0.088 0.000 0.767 226 F HN 0.517 nan 8.300 nan 0.000 0.837 227 I N 1.988 122.671 120.570 0.188 0.000 2.337 227 I HA 0.125 4.295 4.170 0.000 0.000 0.291 227 I C 0.147 176.352 176.117 0.147 0.000 1.046 227 I CA -0.552 60.855 61.300 0.178 0.000 1.324 227 I CB 0.961 39.030 38.000 0.115 0.000 1.409 227 I HN 0.047 nan 8.210 nan 0.000 0.494 228 L N 7.422 128.588 121.223 -0.095 0.000 2.260 228 L HA 0.461 4.801 4.340 0.000 0.000 0.289 228 L C 0.091 176.759 176.870 -0.336 0.000 1.057 228 L CA 0.857 55.416 54.840 -0.468 0.000 0.811 228 L CB 0.811 42.413 42.059 -0.762 0.000 1.184 228 L HN 0.697 nan 8.230 nan 0.000 0.429 229 S N 3.548 119.041 115.700 -0.345 0.000 2.752 229 S HA 0.854 5.324 4.470 0.000 0.000 0.284 229 S C -0.878 173.669 174.600 -0.088 0.000 1.189 229 S CA -0.286 57.682 58.200 -0.387 0.000 0.835 229 S CB 1.000 63.644 63.200 -0.928 0.000 1.192 229 S HN 1.007 nan 8.310 nan 0.000 0.506 230 A N 1.619 124.393 122.820 -0.077 0.000 2.546 230 A HA 0.417 4.737 4.320 0.000 0.000 0.243 230 A C 0.265 177.795 177.584 -0.089 0.000 1.063 230 A CA 0.248 52.145 52.037 -0.233 0.000 0.757 230 A CB -0.346 18.392 19.000 -0.437 0.000 0.991 230 A HN 0.668 nan 8.150 nan 0.000 0.503 231 R N 3.154 123.574 120.500 -0.133 0.000 2.255 231 R HA 0.362 4.702 4.340 0.000 0.000 0.326 231 R C 0.114 176.459 176.300 0.075 0.000 0.986 231 R CA -0.096 55.996 56.100 -0.014 0.000 0.847 231 R CB 0.797 30.935 30.300 -0.269 0.000 1.111 231 R HN 0.760 nan 8.270 nan 0.000 0.452 232 S N 2.218 118.025 115.700 0.177 0.000 2.552 232 S HA -0.066 4.404 4.470 0.000 0.000 0.289 232 S C 1.344 176.012 174.600 0.114 0.000 1.304 232 S CA 0.227 58.513 58.200 0.143 0.000 1.063 232 S CB 0.695 63.972 63.200 0.129 0.000 0.848 232 S HN 0.786 nan 8.310 nan 0.000 0.499 233 S N 4.728 120.481 115.700 0.088 0.000 2.507 233 S HA 0.019 4.489 4.470 0.000 0.000 0.235 233 S C 1.208 175.834 174.600 0.043 0.000 0.988 233 S CA 0.548 58.772 58.200 0.040 0.000 0.944 233 S CB -0.433 62.775 63.200 0.013 0.000 0.762 233 S HN 0.754 nan 8.310 nan 0.000 0.526 234 L N 0.590 121.848 121.223 0.059 0.000 2.693 234 L HA 0.470 4.810 4.340 0.000 0.000 0.235 234 L C 0.971 177.892 176.870 0.086 0.000 1.127 234 L CA -0.149 54.724 54.840 0.055 0.000 0.914 234 L CB -0.119 41.961 42.059 0.035 0.000 1.193 234 L HN 0.323 nan 8.230 nan 0.000 0.502 235 A N 1.381 124.288 122.820 0.145 0.000 2.306 235 A HA 0.671 4.991 4.320 0.000 0.000 0.314 235 A C -2.299 175.443 177.584 0.263 0.000 1.164 235 A CA -1.206 50.959 52.037 0.214 0.000 0.822 235 A CB 0.233 19.435 19.000 0.337 0.000 1.130 235 A HN -0.114 nan 8.150 nan 0.000 0.496 236 P HA 0.259 nan 4.420 nan 0.000 0.278 236 P C -0.454 177.043 177.300 0.329 0.000 1.266 236 P CA -0.287 62.933 63.100 0.199 0.000 0.807 236 P CB 0.850 32.620 31.700 0.116 0.000 1.094 237 D N -0.225 120.326 120.400 0.252 0.000 2.221 237 D HA -0.137 4.503 4.640 0.000 0.000 0.204 237 D C 1.886 178.373 176.300 0.311 0.000 0.982 237 D CA 1.666 55.853 54.000 0.312 0.000 0.857 237 D CB -0.491 40.417 40.800 0.181 0.000 0.934 237 D HN 0.397 nan 8.370 nan 0.000 0.475 238 S N -0.779 115.025 115.700 0.174 0.000 2.469 238 S HA -0.066 4.404 4.470 0.000 0.000 0.238 238 S C 1.903 176.518 174.600 0.026 0.000 0.998 238 S CA 0.650 58.905 58.200 0.092 0.000 0.957 238 S CB -0.115 63.113 63.200 0.047 0.000 0.764 238 S HN 0.001 nan 8.310 nan 0.000 0.514 239 S N 0.703 116.371 115.700 -0.054 0.000 2.522 239 S HA 0.326 4.796 4.470 0.000 0.000 0.227 239 S C -0.044 174.156 174.600 -0.667 0.000 0.986 239 S CA 0.158 58.110 58.200 -0.413 0.000 0.929 239 S CB -0.216 62.605 63.200 -0.632 0.000 0.769 239 S HN 0.535 nan 8.310 nan 0.000 0.529 240 F N -1.157 118.839 119.950 0.077 0.000 2.507 240 F HA 0.371 4.898 4.527 0.000 0.000 0.327 240 F C 0.539 176.478 175.800 0.230 0.000 1.068 240 F CA -1.377 56.687 58.000 0.107 0.000 0.965 240 F CB 0.512 39.586 39.000 0.122 0.000 1.192 240 F HN 0.007 nan 8.300 nan 0.000 0.476 241 W N 1.592 122.935 121.300 0.071 0.000 2.467 241 W HA 0.348 5.008 4.660 0.000 0.000 0.275 241 W C 0.459 177.063 176.519 0.141 0.000 1.239 241 W CA 0.584 57.897 57.345 -0.052 0.000 1.266 241 W CB -0.451 28.764 29.460 -0.409 0.000 1.112 241 W HN 0.455 nan 8.180 nan 0.000 0.576 242 A N -0.433 122.697 122.820 0.517 0.000 2.599 242 A HA 0.443 4.763 4.320 0.000 0.000 0.294 242 A C -0.711 177.169 177.584 0.492 0.000 1.055 242 A CA -0.835 51.488 52.037 0.476 0.000 0.683 242 A CB 0.332 19.613 19.000 0.467 0.000 1.278 242 A HN -0.121 nan 8.150 nan 0.000 0.412 243 N N -0.005 118.916 118.700 0.368 0.000 2.445 243 N HA 0.510 5.250 4.740 0.000 0.000 0.264 243 N C 0.383 176.123 175.510 0.382 0.000 1.227 243 N CA 0.168 53.372 53.050 0.257 0.000 0.963 243 N CB 1.166 39.742 38.487 0.149 0.000 1.188 243 N HN 0.936 nan 8.380 nan 0.000 0.491 244 H N -1.055 118.101 119.070 0.143 0.000 2.010 244 H HA 0.121 4.677 4.556 0.000 0.000 0.175 244 H C -0.866 174.520 175.328 0.096 0.000 0.966 244 H CA 0.268 56.411 56.048 0.159 0.000 1.080 244 H CB 0.509 30.314 29.762 0.073 0.000 1.072 244 H HN 0.720 nan 8.280 nan 0.000 0.373 245 D N -1.248 119.208 120.400 0.093 0.000 2.895 245 D HA 0.115 4.755 4.640 0.000 0.000 0.320 245 D C 0.675 176.985 176.300 0.017 0.000 1.249 245 D CA 0.171 54.174 54.000 0.004 0.000 0.997 245 D CB 0.256 41.053 40.800 -0.005 0.000 1.430 245 D HN 0.222 nan 8.370 nan 0.000 0.558 246 S N -1.312 114.382 115.700 -0.011 0.000 2.515 246 S HA -0.023 4.447 4.470 0.000 0.000 0.231 246 S C 0.985 175.525 174.600 -0.099 0.000 0.987 246 S CA 0.648 58.817 58.200 -0.052 0.000 0.936 246 S CB -0.368 62.801 63.200 -0.051 0.000 0.766 246 S HN 0.477 nan 8.310 nan 0.000 0.528 247 K N -0.806 119.532 120.400 -0.104 0.000 2.412 247 K HA 0.301 4.621 4.320 0.000 0.000 0.202 247 K C -0.972 175.264 176.600 -0.606 0.000 1.102 247 K CA 0.053 56.139 56.287 -0.334 0.000 1.027 247 K CB 0.688 32.896 32.500 -0.488 0.000 0.931 247 K HN 0.384 nan 8.250 nan 0.000 0.557 248 Y N -0.036 120.297 120.300 0.055 0.000 2.477 248 Y HA 0.636 5.186 4.550 0.000 0.000 0.347 248 Y C -0.277 175.566 175.900 -0.095 0.000 0.981 248 Y CA -1.145 56.937 58.100 -0.030 0.000 1.033 248 Y CB 2.353 40.762 38.460 -0.085 0.000 1.245 248 Y HN -0.109 nan 8.280 nan 0.000 0.455 249 A N 0.997 123.791 122.820 -0.043 0.000 2.581 249 A HA 0.775 5.095 4.320 0.000 0.000 0.290 249 A C -2.146 175.456 177.584 0.030 0.000 1.119 249 A CA -0.827 51.148 52.037 -0.103 0.000 0.670 249 A CB 0.802 19.516 19.000 -0.476 0.000 1.280 249 A HN 0.652 nan 8.150 nan 0.000 0.425 253 G N -0.739 107.885 108.800 -0.293 0.000 2.339 253 G HA2 0.537 4.497 3.960 0.000 0.000 0.302 253 G HA3 0.537 4.497 3.960 0.000 0.000 0.302 253 G C 0.760 175.803 174.900 0.240 0.000 1.425 253 G CA 0.785 45.830 45.100 -0.091 0.000 0.899 253 G HN 1.738 nan 8.290 nan 0.000 0.619 254 T N -1.471 113.271 114.554 0.312 0.000 3.007 254 T HA 0.158 4.508 4.350 0.000 0.000 0.270 254 T C 1.597 176.360 174.700 0.104 0.000 1.107 254 T CA 1.667 63.887 62.100 0.200 0.000 1.118 254 T CB -0.186 68.794 68.868 0.186 0.000 0.889 254 T HN 0.657 nan 8.240 nan 0.000 0.506 258 T N 2.213 116.775 114.554 0.013 0.000 2.674 258 T HA -0.048 4.302 4.350 0.000 0.000 0.265 258 T C -0.444 174.242 174.700 -0.023 0.000 1.039 258 T CA 2.102 64.197 62.100 -0.008 0.000 1.150 258 T CB -0.942 67.912 68.868 -0.023 0.000 0.864 258 T HN 0.501 nan 8.240 nan 0.000 0.427 259 P HA 0.009 nan 4.420 nan 0.000 0.220 259 P C 1.473 178.763 177.300 -0.016 0.000 1.148 259 P CA 0.774 63.859 63.100 -0.025 0.000 0.803 259 P CB -0.229 31.461 31.700 -0.017 0.000 0.782 260 I N -0.217 120.346 120.570 -0.011 0.000 2.179 260 I HA -0.157 4.013 4.170 0.000 0.000 0.242 260 I C 2.523 178.633 176.117 -0.012 0.000 1.088 260 I CA 1.307 62.601 61.300 -0.011 0.000 1.357 260 I CB -1.505 36.492 38.000 -0.005 0.000 1.051 260 I HN -0.121 nan 8.210 nan 0.000 0.409 261 V N 1.327 121.237 119.914 -0.008 0.000 2.427 261 V HA -0.212 3.908 4.120 0.000 0.000 0.248 261 V C 2.836 178.923 176.094 -0.012 0.000 1.051 261 V CA 1.553 63.849 62.300 -0.007 0.000 1.048 261 V CB -1.167 30.657 31.823 0.002 0.000 0.666 261 V HN 0.438 nan 8.190 nan 0.000 0.456 262 A N 0.807 123.615 122.820 -0.020 0.000 1.908 262 A HA -0.141 4.179 4.320 0.000 0.000 0.218 262 A C 2.426 180.002 177.584 -0.014 0.000 1.181 262 A CA 2.106 54.129 52.037 -0.024 0.000 0.627 262 A CB -1.241 17.733 19.000 -0.043 0.000 0.818 262 A HN 0.530 nan 8.150 nan 0.000 0.445 263 G N -0.356 108.437 108.800 -0.011 0.000 2.408 263 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 263 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 263 G C 1.382 176.273 174.900 -0.013 0.000 1.150 263 G CA 1.039 46.136 45.100 -0.006 0.000 0.776 263 G HN 0.725 nan 8.290 nan 0.000 0.542 264 N N 0.011 118.699 118.700 -0.021 0.000 2.166 264 N HA -0.093 4.647 4.740 0.000 0.000 0.186 264 N C 2.103 177.604 175.510 -0.016 0.000 1.019 264 N CA 0.879 53.910 53.050 -0.031 0.000 0.856 264 N CB -0.051 38.417 38.487 -0.033 0.000 0.993 264 N HN 0.178 nan 8.380 nan 0.000 0.426 265 V N 1.285 121.197 119.914 -0.003 0.000 2.407 265 V HA -0.215 3.905 4.120 0.000 0.000 0.248 265 V C 2.368 178.475 176.094 0.023 0.000 1.055 265 V CA 1.845 64.153 62.300 0.013 0.000 1.049 265 V CB -0.857 30.971 31.823 0.008 0.000 0.662 265 V HN 0.358 nan 8.190 nan 0.000 0.455 266 A N -0.664 122.165 122.820 0.014 0.000 1.902 266 A HA -0.279 4.041 4.320 0.000 0.000 0.217 266 A C 2.189 179.789 177.584 0.027 0.000 1.181 266 A CA 1.896 53.946 52.037 0.023 0.000 0.623 266 A CB -0.443 18.570 19.000 0.021 0.000 0.818 266 A HN 0.624 nan 8.150 nan 0.000 0.443 267 Q N -1.118 118.683 119.800 0.003 0.000 2.050 267 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 267 Q C 2.112 178.113 176.000 0.002 0.000 0.980 267 Q CA 1.470 57.261 55.803 -0.020 0.000 0.840 267 Q CB -0.370 28.320 28.738 -0.080 0.000 0.898 267 Q HN 0.560 nan 8.270 nan 0.000 0.424 268 L N 0.974 122.204 121.223 0.013 0.000 2.017 268 L HA -0.192 4.148 4.340 0.000 0.000 0.208 268 L C 2.360 179.351 176.870 0.202 0.000 1.073 268 L CA 1.821 56.705 54.840 0.072 0.000 0.745 268 L CB -0.383 41.731 42.059 0.091 0.000 0.894 268 L HN 0.046 nan 8.230 nan 0.000 0.432 269 R N -0.627 119.966 120.500 0.156 0.000 2.075 269 R HA -0.201 4.139 4.340 0.000 0.000 0.232 269 R C 2.342 178.728 176.300 0.145 0.000 1.126 269 R CA 1.594 57.791 56.100 0.161 0.000 0.963 269 R CB -0.284 30.061 30.300 0.074 0.000 0.858 269 R HN 0.594 nan 8.270 nan 0.000 0.435 270 E N -0.603 119.659 120.200 0.103 0.000 2.070 270 E HA -0.310 4.040 4.350 0.000 0.000 0.197 270 E C 1.778 178.442 176.600 0.106 0.000 1.004 270 E CA 1.797 58.251 56.400 0.091 0.000 0.805 270 E CB -0.166 29.582 29.700 0.079 0.000 0.744 270 E HN 0.429 nan 8.360 nan 0.000 0.451 271 H N -0.463 118.598 119.070 -0.016 0.000 2.290 271 H HA -0.162 4.394 4.556 0.000 0.000 0.298 271 H C 1.762 177.029 175.328 -0.102 0.000 1.087 271 H CA 2.325 58.316 56.048 -0.095 0.000 1.291 271 H CB -0.619 29.004 29.762 -0.233 0.000 1.369 271 H HN 0.204 nan 8.280 nan 0.000 0.492 272 F N -0.744 119.127 119.950 -0.132 0.000 2.095 272 F HA -0.216 4.311 4.527 0.000 0.000 0.298 272 F C 2.732 178.435 175.800 -0.162 0.000 1.104 272 F CA 1.334 59.203 58.000 -0.218 0.000 1.232 272 F CB -0.456 38.430 39.000 -0.190 0.000 0.987 272 F HN 0.047 nan 8.300 nan 0.000 0.475 273 V N -0.039 119.935 119.914 0.099 0.000 2.307 273 V HA -0.280 3.840 4.120 0.000 0.000 0.245 273 V C 2.138 178.242 176.094 0.017 0.000 1.045 273 V CA 1.942 64.272 62.300 0.049 0.000 1.024 273 V CB -0.489 31.363 31.823 0.048 0.000 0.651 273 V HN 0.271 nan 8.190 nan 0.000 0.449 274 K N -0.189 120.215 120.400 0.007 0.000 2.137 274 K HA 0.012 4.332 4.320 0.000 0.000 0.202 274 K C 1.606 178.192 176.600 -0.024 0.000 1.052 274 K CA 1.484 57.776 56.287 0.008 0.000 0.961 274 K CB -0.097 32.426 32.500 0.039 0.000 0.741 274 K HN 0.551 nan 8.250 nan 0.000 0.452 275 N N -0.274 118.362 118.700 -0.106 0.000 2.294 275 N HA 0.080 4.820 4.740 0.000 0.000 0.186 275 N C 0.948 176.342 175.510 -0.195 0.000 1.107 275 N CA -0.034 52.925 53.050 -0.151 0.000 0.884 275 N CB 0.606 38.969 38.487 -0.208 0.000 1.030 275 N HN -0.046 nan 8.380 nan 0.000 0.482 276 R N 0.031 120.405 120.500 -0.209 0.000 2.476 276 R HA 0.233 4.573 4.340 0.000 0.000 0.276 276 R C 0.508 176.828 176.300 0.033 0.000 0.941 276 R CA 0.306 56.349 56.100 -0.095 0.000 1.088 276 R CB 1.058 31.257 30.300 -0.168 0.000 1.216 276 R HN 0.153 nan 8.270 nan 0.000 0.533 277 G N 2.431 111.242 108.800 0.019 0.000 2.155 277 G HA2 -0.287 3.673 3.960 0.000 0.000 0.257 277 G HA3 -0.287 3.673 3.960 0.000 0.000 0.257 277 G C 0.183 175.118 174.900 0.057 0.000 0.983 277 G CA 0.893 46.020 45.100 0.044 0.000 0.676 277 G HN 0.457 nan 8.290 nan 0.000 0.528 278 I N -3.879 116.725 120.570 0.058 0.000 2.969 278 I HA 0.765 4.935 4.170 0.000 0.000 0.307 278 I C -0.224 175.888 176.117 -0.008 0.000 1.149 278 I CA -1.225 60.090 61.300 0.026 0.000 1.008 278 I CB 1.988 39.989 38.000 0.002 0.000 1.232 278 I HN -0.103 nan 8.210 nan 0.000 0.435 279 T N 4.912 119.444 114.554 -0.037 0.000 2.727 279 T HA 0.399 4.749 4.350 0.000 0.000 0.298 279 T C -2.439 172.166 174.700 -0.157 0.000 0.942 279 T CA -0.876 61.187 62.100 -0.061 0.000 0.997 279 T CB 0.420 69.270 68.868 -0.030 0.000 0.917 279 T HN 0.474 nan 8.240 nan 0.000 0.487 280 P HA 0.275 nan 4.420 nan 0.000 0.280 280 P C -0.208 176.934 177.300 -0.263 0.000 1.244 280 P CA -0.738 62.080 63.100 -0.470 0.000 0.784 280 P CB 0.839 32.017 31.700 -0.869 0.000 0.913 281 K N 4.089 124.354 120.400 -0.224 0.000 2.319 281 K HA 0.114 4.434 4.320 0.000 0.000 0.265 281 K C -1.614 174.918 176.600 -0.113 0.000 1.000 281 K CA -1.741 54.470 56.287 -0.126 0.000 0.943 281 K CB -0.483 31.960 32.500 -0.094 0.000 0.950 281 K HN 0.235 nan 8.250 nan 0.000 0.485 282 P HA -0.226 nan 4.420 nan 0.000 0.217 282 P C 1.256 178.533 177.300 -0.038 0.000 1.151 282 P CA 1.743 64.820 63.100 -0.039 0.000 0.849 282 P CB 0.159 31.851 31.700 -0.013 0.000 0.787 283 S N -1.262 114.422 115.700 -0.027 0.000 2.402 283 S HA -0.134 4.336 4.470 0.000 0.000 0.229 283 S C 1.859 176.444 174.600 -0.024 0.000 1.021 283 S CA 0.934 59.134 58.200 0.000 0.000 0.974 283 S CB -1.489 61.744 63.200 0.055 0.000 0.800 283 S HN 0.015 nan 8.310 nan 0.000 0.484 284 L N 1.500 122.670 121.223 -0.088 0.000 2.044 284 L HA 0.244 4.584 4.340 0.000 0.000 0.205 284 L C 2.252 179.038 176.870 -0.141 0.000 1.075 284 L CA 1.383 56.137 54.840 -0.144 0.000 0.747 284 L CB -0.827 41.049 42.059 -0.306 0.000 0.903 284 L HN 0.322 nan 8.230 nan 0.000 0.435 285 L N -0.240 120.890 121.223 -0.154 0.000 2.042 285 L HA -0.277 4.063 4.340 0.000 0.000 0.210 285 L C 2.665 179.528 176.870 -0.012 0.000 1.076 285 L CA 1.957 56.757 54.840 -0.066 0.000 0.749 285 L CB -0.644 41.385 42.059 -0.051 0.000 0.893 285 L HN 0.348 nan 8.230 nan 0.000 0.432 286 K N 0.178 120.569 120.400 -0.015 0.000 2.025 286 K HA -0.163 4.157 4.320 0.000 0.000 0.207 286 K C 2.173 178.778 176.600 0.007 0.000 1.049 286 K CA 1.257 57.547 56.287 0.005 0.000 0.933 286 K CB -0.111 32.390 32.500 0.003 0.000 0.714 286 K HN 0.243 nan 8.250 nan 0.000 0.438 287 A N 1.082 123.902 122.820 -0.001 0.000 1.902 287 A HA -0.119 4.201 4.320 0.000 0.000 0.217 287 A C 2.338 179.927 177.584 0.009 0.000 1.181 287 A CA 1.940 53.976 52.037 -0.001 0.000 0.623 287 A CB -0.879 18.129 19.000 0.014 0.000 0.818 287 A HN 0.501 nan 8.150 nan 0.000 0.443 288 A N -0.299 122.539 122.820 0.030 0.000 1.902 288 A HA -0.027 4.293 4.320 0.000 0.000 0.217 288 A C 2.184 179.786 177.584 0.029 0.000 1.181 288 A CA 1.449 53.522 52.037 0.059 0.000 0.623 288 A CB -0.601 18.489 19.000 0.151 0.000 0.818 288 A HN 0.468 nan 8.150 nan 0.000 0.443 289 L N -0.585 120.656 121.223 0.030 0.000 2.046 289 L HA -0.202 4.138 4.340 0.000 0.000 0.208 289 L C 2.534 179.420 176.870 0.026 0.000 1.077 289 L CA 1.416 56.270 54.840 0.023 0.000 0.747 289 L CB -0.552 41.526 42.059 0.031 0.000 0.896 289 L HN 0.399 nan 8.230 nan 0.000 0.432 290 I N -0.173 120.417 120.570 0.035 0.000 2.179 290 I HA -0.280 3.890 4.170 0.000 0.000 0.242 290 I C 2.770 178.886 176.117 -0.001 0.000 1.088 290 I CA 1.252 62.583 61.300 0.050 0.000 1.357 290 I CB -0.435 37.565 38.000 0.000 0.000 1.051 290 I HN 0.199 nan 8.210 nan 0.000 0.409 291 A N 0.643 123.444 122.820 -0.032 0.000 1.969 291 A HA -0.071 4.249 4.320 0.000 0.000 0.218 291 A C 2.329 179.812 177.584 -0.169 0.000 1.169 291 A CA 1.713 53.691 52.037 -0.098 0.000 0.635 291 A CB -1.158 17.801 19.000 -0.069 0.000 0.810 291 A HN 0.475 nan 8.150 nan 0.000 0.445 292 G N -0.833 107.909 108.800 -0.096 0.000 2.712 292 G HA2 0.368 4.328 3.960 0.000 0.000 0.212 292 G HA3 0.368 4.328 3.960 0.000 0.000 0.212 292 G C 0.717 175.566 174.900 -0.086 0.000 1.142 292 G CA 0.609 45.651 45.100 -0.097 0.000 0.789 292 G HN 0.771 nan 8.290 nan 0.000 0.535 293 A N 0.128 122.913 122.820 -0.059 0.000 2.386 293 A HA 0.685 5.005 4.320 0.000 0.000 0.248 293 A C 0.579 178.158 177.584 -0.008 0.000 1.082 293 A CA 0.349 52.384 52.037 -0.003 0.000 0.789 293 A CB 0.455 19.501 19.000 0.077 0.000 1.025 293 A HN 0.871 nan 8.150 nan 0.000 0.490 294 A N 1.512 124.347 122.820 0.026 0.000 2.301 294 A HA 0.501 4.821 4.320 0.000 0.000 0.298 294 A C -0.076 177.557 177.584 0.082 0.000 1.185 294 A CA -0.442 51.611 52.037 0.027 0.000 0.830 294 A CB 0.166 19.168 19.000 0.003 0.000 1.112 294 A HN 0.854 nan 8.150 nan 0.000 0.508 295 D N 2.616 123.064 120.400 0.081 0.000 2.382 295 D HA 0.028 4.668 4.640 0.000 0.000 0.259 295 D C 1.217 177.482 176.300 -0.059 0.000 1.224 295 D CA -0.143 53.843 54.000 -0.023 0.000 0.894 295 D CB 0.325 41.020 40.800 -0.175 0.000 1.127 295 D HN 0.486 nan 8.370 nan 0.000 0.487 296 I N 1.028 121.562 120.570 -0.059 0.000 3.444 296 I HA 0.270 4.440 4.170 0.000 0.000 0.287 296 I C 1.164 177.246 176.117 -0.058 0.000 1.302 296 I CA 0.320 61.596 61.300 -0.040 0.000 1.368 296 I CB -0.140 37.849 38.000 -0.017 0.000 1.048 296 I HN 0.517 nan 8.210 nan 0.000 0.487 297 G N 1.499 110.233 108.800 -0.110 0.000 2.227 297 G HA2 -0.178 3.782 3.960 0.000 0.000 0.168 297 G HA3 -0.178 3.782 3.960 0.000 0.000 0.168 297 G C 0.516 175.341 174.900 -0.125 0.000 1.006 297 G CA 0.094 45.136 45.100 -0.098 0.000 0.684 297 G HN 0.357 nan 8.290 nan 0.000 0.489 298 L N 1.044 122.165 121.223 -0.171 0.000 2.509 298 L HA 0.477 4.817 4.340 0.000 0.000 0.222 298 L C 1.779 178.506 176.870 -0.239 0.000 1.123 298 L CA 0.707 55.444 54.840 -0.171 0.000 0.856 298 L CB -0.394 41.572 42.059 -0.154 0.000 0.985 298 L HN 0.969 nan 8.230 nan 0.000 0.456 299 G N -0.313 108.252 108.800 -0.390 0.000 2.796 299 G HA2 -0.274 3.686 3.960 0.000 0.000 0.226 299 G HA3 -0.274 3.686 3.960 0.000 0.000 0.226 299 G C -0.951 173.564 174.900 -0.642 0.000 1.381 299 G CA -0.520 44.277 45.100 -0.507 0.000 0.867 299 G HN 0.119 nan 8.290 nan 0.000 0.552 300 Y N -0.149 119.958 120.300 -0.322 0.000 2.576 300 Y HA 0.682 5.232 4.550 0.000 0.000 0.346 300 Y C -1.549 174.080 175.900 -0.451 0.000 1.018 300 Y CA -1.603 56.164 58.100 -0.555 0.000 1.050 300 Y CB 2.340 40.121 38.460 -1.133 0.000 1.280 300 Y HN 0.655 nan 8.280 nan 0.000 0.474 301 P HA 0.193 nan 4.420 nan 0.000 0.278 301 P C -1.340 175.881 177.300 -0.131 0.000 1.258 301 P CA -0.380 62.670 63.100 -0.082 0.000 0.811 301 P CB 1.427 33.171 31.700 0.074 0.000 1.063 302 N N -0.505 118.051 118.700 -0.241 0.000 2.600 302 N HA 0.134 4.874 4.740 0.000 0.000 0.272 302 N C 0.520 175.896 175.510 -0.224 0.000 1.095 302 N CA -0.310 52.629 53.050 -0.184 0.000 0.993 302 N CB 1.428 39.818 38.487 -0.161 0.000 1.603 302 N HN 0.499 nan 8.380 nan 0.000 0.526 303 G N 1.984 110.685 108.800 -0.165 0.000 2.848 303 G HA2 -0.120 3.840 3.960 0.000 0.000 0.208 303 G HA3 -0.120 3.840 3.960 0.000 0.000 0.208 303 G C 1.011 175.838 174.900 -0.122 0.000 1.152 303 G CA 0.159 45.167 45.100 -0.153 0.000 0.789 303 G HN 0.574 nan 8.290 nan 0.000 0.531 304 N N 0.662 119.293 118.700 -0.114 0.000 2.290 304 N HA -0.053 4.687 4.740 0.000 0.000 0.179 304 N C 2.209 177.665 175.510 -0.090 0.000 1.016 304 N CA 1.268 54.263 53.050 -0.093 0.000 0.871 304 N CB -0.005 38.428 38.487 -0.090 0.000 0.987 304 N HN 0.713 nan 8.380 nan 0.000 0.431 305 Q N -0.447 119.291 119.800 -0.104 0.000 2.217 305 Q HA 0.330 4.670 4.340 0.000 0.000 0.217 305 Q C 0.951 176.899 176.000 -0.086 0.000 0.844 305 Q CA 0.353 56.113 55.803 -0.071 0.000 0.957 305 Q CB 0.761 29.468 28.738 -0.050 0.000 1.127 305 Q HN 0.060 nan 8.270 nan 0.000 0.503 306 G N 1.817 110.491 108.800 -0.209 0.000 2.583 306 G HA2 -0.354 3.606 3.960 0.000 0.000 0.292 306 G HA3 -0.354 3.606 3.960 0.000 0.000 0.292 306 G C -0.129 174.517 174.900 -0.423 0.000 1.203 306 G CA 0.277 45.124 45.100 -0.420 0.000 0.987 306 G HN 0.548 nan 8.290 nan 0.000 0.554 307 W N 2.274 123.638 121.300 0.107 0.000 3.353 307 W HA 0.481 5.141 4.660 -0.000 0.000 0.304 307 W C 1.372 178.027 176.519 0.226 0.000 1.273 307 W CA 0.599 58.004 57.345 0.100 0.000 1.773 307 W CB 0.199 29.667 29.460 0.014 0.000 1.095 307 W HN 1.573 nan 8.180 nan 0.000 0.676 308 G N 0.745 109.734 108.800 0.316 0.000 2.373 308 G HA2 -0.140 3.820 3.960 0.000 0.000 0.634 308 G HA3 -0.140 3.820 3.960 0.000 0.000 0.634 308 G C -1.321 173.656 174.900 0.128 0.000 1.267 308 G CA -1.290 43.948 45.100 0.230 0.000 1.008 308 G HN 0.009 nan 8.290 nan 0.000 0.497 309 R N -0.160 120.389 120.500 0.082 0.000 2.254 309 R HA 0.542 4.882 4.340 0.000 0.000 0.318 309 R C 0.585 176.907 176.300 0.036 0.000 1.031 309 R CA -0.578 55.551 56.100 0.048 0.000 0.905 309 R CB 0.937 31.255 30.300 0.029 0.000 1.050 309 R HN 0.575 nan 8.270 nan 0.000 0.456 310 V N 4.285 124.217 119.914 0.029 0.000 2.625 310 V HA -0.057 4.063 4.120 0.000 0.000 0.305 310 V C 0.119 176.207 176.094 -0.010 0.000 1.055 310 V CA 1.044 63.350 62.300 0.011 0.000 1.209 310 V CB 0.997 32.823 31.823 0.006 0.000 0.877 310 V HN 0.826 nan 8.190 nan 0.000 0.489 311 T N 6.616 121.155 114.554 -0.025 0.000 3.068 311 T HA 0.236 4.586 4.350 0.000 0.000 0.364 311 T C 0.527 175.185 174.700 -0.069 0.000 1.161 311 T CA -0.376 61.698 62.100 -0.044 0.000 1.155 311 T CB 1.138 69.981 68.868 -0.042 0.000 1.060 311 T HN 0.479 nan 8.240 nan 0.000 0.513 312 L N 3.138 124.310 121.223 -0.085 0.000 2.093 312 L HA -0.004 4.336 4.340 0.000 0.000 0.208 312 L C 2.134 178.891 176.870 -0.188 0.000 1.085 312 L CA 1.998 56.765 54.840 -0.123 0.000 0.755 312 L CB -0.272 41.709 42.059 -0.130 0.000 0.904 312 L HN 0.597 nan 8.230 nan 0.000 0.435 313 D N -1.199 119.088 120.400 -0.189 0.000 2.219 313 D HA -0.212 4.428 4.640 0.000 0.000 0.205 313 D C 1.697 177.871 176.300 -0.210 0.000 0.970 313 D CA 1.163 55.005 54.000 -0.264 0.000 0.851 313 D CB -0.406 40.300 40.800 -0.157 0.000 0.943 313 D HN 0.374 nan 8.370 nan 0.000 0.488 314 K N 0.331 120.651 120.400 -0.134 0.000 2.167 314 K HA 0.065 4.385 4.320 0.000 0.000 0.203 314 K C 2.133 178.672 176.600 -0.103 0.000 1.052 314 K CA 0.683 56.909 56.287 -0.101 0.000 0.956 314 K CB 0.036 32.486 32.500 -0.082 0.000 0.735 314 K HN 0.058 nan 8.250 nan 0.000 0.451 315 S N 1.764 117.398 115.700 -0.110 0.000 2.423 315 S HA -0.014 4.456 4.470 0.000 0.000 0.231 315 S C 1.929 176.466 174.600 -0.106 0.000 1.014 315 S CA 0.689 58.846 58.200 -0.071 0.000 0.965 315 S CB -0.150 63.023 63.200 -0.044 0.000 0.785 315 S HN 0.203 nan 8.310 nan 0.000 0.495 316 L N 1.456 122.534 121.223 -0.241 0.000 2.083 316 L HA -0.075 4.265 4.340 0.000 0.000 0.209 316 L C 1.320 178.068 176.870 -0.203 0.000 1.083 316 L CA 0.912 55.531 54.840 -0.369 0.000 0.752 316 L CB -0.383 41.181 42.059 -0.824 0.000 0.899 316 L HN 0.297 nan 8.230 nan 0.000 0.433 317 N N -0.166 118.465 118.700 -0.114 0.000 2.238 317 N HA 0.087 4.827 4.740 0.000 0.000 0.222 317 N C 0.019 175.563 175.510 0.057 0.000 1.133 317 N CA 0.024 53.079 53.050 0.008 0.000 0.854 317 N CB 0.550 39.057 38.487 0.032 0.000 1.041 317 N HN 0.099 nan 8.380 nan 0.000 0.510 318 V N -0.417 119.533 119.914 0.060 0.000 2.872 318 V HA 0.385 4.505 4.120 0.000 0.000 0.307 318 V C 0.848 177.070 176.094 0.214 0.000 1.072 318 V CA -1.365 61.001 62.300 0.110 0.000 1.148 318 V CB 0.078 31.977 31.823 0.126 0.000 0.954 318 V HN 0.165 nan 8.190 nan 0.000 0.490 319 A N 4.905 127.810 122.820 0.142 0.000 2.388 319 A HA 0.710 5.030 4.320 0.000 0.000 0.257 319 A C -0.397 177.274 177.584 0.146 0.000 1.095 319 A CA -0.200 51.928 52.037 0.152 0.000 0.791 319 A CB 0.008 19.115 19.000 0.179 0.000 1.029 319 A HN 1.712 nan 8.150 nan 0.000 0.489 320 Y N -0.872 119.450 120.300 0.037 0.000 2.644 320 Y HA 0.735 5.285 4.550 0.000 0.000 0.338 320 Y C -1.113 174.740 175.900 -0.079 0.000 1.119 320 Y CA -1.586 56.507 58.100 -0.012 0.000 1.060 320 Y CB 1.129 39.627 38.460 0.063 0.000 1.294 320 Y HN 0.388 nan 8.280 nan 0.000 0.472 321 V N 2.257 122.178 119.914 0.011 0.000 2.483 321 V HA 0.340 4.460 4.120 0.000 0.000 0.297 321 V C -1.064 175.046 176.094 0.027 0.000 1.027 321 V CA -0.723 61.528 62.300 -0.082 0.000 0.855 321 V CB 1.500 33.139 31.823 -0.306 0.000 0.995 321 V HN 0.780 nan 8.190 nan 0.000 0.424 322 N N 3.261 121.997 118.700 0.060 0.000 3.112 322 N HA 0.242 4.982 4.740 0.000 0.000 0.270 322 N C 0.327 175.774 175.510 -0.105 0.000 1.385 322 N CA -0.290 52.748 53.050 -0.020 0.000 0.986 322 N CB -0.024 38.477 38.487 0.023 0.000 1.261 322 N HN 0.723 nan 8.380 nan 0.000 0.495 323 E N -0.509 119.568 120.200 -0.205 0.000 2.328 323 E HA -0.231 4.119 4.350 0.000 0.000 0.233 323 E C -0.059 176.426 176.600 -0.191 0.000 1.219 323 E CA 0.831 57.090 56.400 -0.235 0.000 0.717 323 E CB -1.611 28.017 29.700 -0.120 0.000 1.210 323 E HN 0.692 nan 8.360 nan 0.000 0.381 324 S N -1.885 113.694 115.700 -0.201 0.000 2.593 324 S HA 0.220 4.690 4.470 0.000 0.000 0.217 324 S C 0.572 175.119 174.600 -0.089 0.000 0.966 324 S CA -0.236 57.904 58.200 -0.100 0.000 0.914 324 S CB 0.835 64.012 63.200 -0.038 0.000 0.776 324 S HN 0.116 nan 8.310 nan 0.000 0.523 325 S N 1.089 116.686 115.700 -0.171 0.000 2.541 325 S HA 0.708 5.178 4.470 0.000 0.000 0.271 325 S C -0.801 173.776 174.600 -0.039 0.000 1.133 325 S CA -0.756 57.409 58.200 -0.059 0.000 0.876 325 S CB 2.170 65.412 63.200 0.069 0.000 1.105 325 S HN 0.554 nan 8.310 nan 0.000 0.470 326 S N 2.006 117.739 115.700 0.056 0.000 2.548 326 S HA 0.867 5.337 4.470 0.000 0.000 0.286 326 S C -1.286 173.378 174.600 0.105 0.000 1.098 326 S CA -0.802 57.454 58.200 0.094 0.000 0.930 326 S CB 0.830 64.054 63.200 0.041 0.000 1.070 326 S HN 0.545 nan 8.310 nan 0.000 0.480 327 L N 1.746 123.027 121.223 0.097 0.000 2.381 327 L HA 0.645 4.985 4.340 0.000 0.000 0.268 327 L C -0.137 176.729 176.870 -0.006 0.000 0.997 327 L CA -0.625 54.240 54.840 0.042 0.000 0.818 327 L CB 2.468 44.539 42.059 0.020 0.000 1.310 327 L HN 0.708 nan 8.230 nan 0.000 0.416 328 S N -0.183 115.507 115.700 -0.017 0.000 2.681 328 S HA 0.414 4.884 4.470 0.000 0.000 0.299 328 S C -0.307 174.261 174.600 -0.053 0.000 1.113 328 S CA -0.628 57.552 58.200 -0.033 0.000 1.013 328 S CB 1.747 64.932 63.200 -0.024 0.000 1.076 328 S HN 0.586 nan 8.310 nan 0.000 0.534 329 T N 2.851 117.365 114.554 -0.066 0.000 2.905 329 T HA 0.150 4.500 4.350 0.000 0.000 0.299 329 T C 1.082 175.731 174.700 -0.085 0.000 1.024 329 T CA 1.162 63.206 62.100 -0.094 0.000 1.151 329 T CB -0.054 68.745 68.868 -0.114 0.000 0.987 329 T HN 1.181 nan 8.240 nan 0.000 0.535 330 S N 0.946 116.592 115.700 -0.091 0.000 2.596 330 S HA -0.205 4.265 4.470 0.000 0.000 0.260 330 S C 0.109 174.680 174.600 -0.049 0.000 1.282 330 S CA 0.947 59.103 58.200 -0.073 0.000 1.357 330 S CB -1.701 61.455 63.200 -0.074 0.000 1.674 330 S HN 0.811 nan 8.310 nan 0.000 0.641 331 Q N 1.829 121.601 119.800 -0.047 0.000 2.317 331 Q HA 0.640 4.980 4.340 0.000 0.000 0.229 331 Q C -0.043 175.935 176.000 -0.036 0.000 0.984 331 Q CA 0.090 55.873 55.803 -0.034 0.000 0.911 331 Q CB 0.769 29.493 28.738 -0.024 0.000 1.217 331 Q HN 0.740 nan 8.270 nan 0.000 0.501 332 K N -1.438 118.945 120.400 -0.028 0.000 2.532 332 K HA 0.795 5.115 4.320 0.000 0.000 0.265 332 K C -1.838 174.745 176.600 -0.029 0.000 0.948 332 K CA -1.005 55.261 56.287 -0.036 0.000 0.842 332 K CB 1.719 34.203 32.500 -0.027 0.000 1.392 332 K HN 0.495 nan 8.250 nan 0.000 0.436 333 A N 1.377 124.182 122.820 -0.025 0.000 2.330 333 A HA 0.663 4.983 4.320 0.000 0.000 0.327 333 A C -0.919 176.578 177.584 -0.146 0.000 1.155 333 A CA -0.654 51.357 52.037 -0.043 0.000 0.803 333 A CB 1.375 20.513 19.000 0.230 0.000 1.208 333 A HN 0.649 nan 8.150 nan 0.000 0.477 334 T N 2.097 116.429 114.554 -0.370 0.000 2.824 334 T HA 0.646 4.996 4.350 0.000 0.000 0.282 334 T C -1.234 173.123 174.700 -0.571 0.000 0.993 334 T CA 0.028 61.952 62.100 -0.292 0.000 0.967 334 T CB 0.544 69.332 68.868 -0.133 0.000 0.960 334 T HN 0.470 nan 8.240 nan 0.000 0.441 335 Y N 0.028 120.376 120.300 0.080 0.000 2.634 335 Y HA 0.718 5.268 4.550 -0.000 0.000 0.340 335 Y C 0.339 176.304 175.900 0.108 0.000 1.058 335 Y CA -1.131 57.024 58.100 0.092 0.000 1.081 335 Y CB 2.089 40.613 38.460 0.106 0.000 1.295 335 Y HN 0.518 nan 8.280 nan 0.000 0.487 336 S N 1.077 116.950 115.700 0.288 0.000 2.548 336 S HA 0.651 5.121 4.470 0.000 0.000 0.286 336 S C -2.022 172.753 174.600 0.292 0.000 1.098 336 S CA -0.683 57.658 58.200 0.234 0.000 0.930 336 S CB 1.598 64.877 63.200 0.133 0.000 1.070 336 S HN 0.467 nan 8.310 nan 0.000 0.480 337 F N 1.887 121.917 119.950 0.134 0.000 2.557 337 F HA 0.441 4.968 4.527 0.000 0.000 0.316 337 F C -0.348 175.529 175.800 0.127 0.000 1.141 337 F CA -0.251 57.811 58.000 0.104 0.000 0.922 337 F CB 1.374 40.416 39.000 0.070 0.000 1.194 337 F HN 0.442 nan 8.300 nan 0.000 0.443 338 T N 6.031 120.202 114.554 -0.638 0.000 2.737 338 T HA 0.636 4.986 4.350 0.000 0.000 0.296 338 T C 0.198 174.628 174.700 -0.449 0.000 0.922 338 T CA -0.142 61.747 62.100 -0.351 0.000 1.079 338 T CB 0.665 69.383 68.868 -0.250 0.000 0.892 338 T HN 0.729 nan 8.240 nan 0.000 0.514 339 A N 3.456 126.291 122.820 0.024 0.000 2.269 339 A HA 0.736 5.056 4.320 0.000 0.000 0.319 339 A C 0.374 178.015 177.584 0.094 0.000 1.110 339 A CA -0.688 51.438 52.037 0.148 0.000 0.847 339 A CB 0.699 19.832 19.000 0.221 0.000 1.161 339 A HN 0.663 nan 8.150 nan 0.000 0.497 340 T N 1.131 115.738 114.554 0.090 0.000 2.786 340 T HA 0.473 4.823 4.350 0.000 0.000 0.283 340 T C 1.154 175.896 174.700 0.070 0.000 0.992 340 T CA 0.290 62.429 62.100 0.064 0.000 0.954 340 T CB 1.509 70.403 68.868 0.043 0.000 0.934 340 T HN 0.940 nan 8.240 nan 0.000 0.440 341 A N 2.951 125.814 122.820 0.072 0.000 2.070 341 A HA 0.073 4.393 4.320 0.000 0.000 0.220 341 A C 2.382 179.995 177.584 0.048 0.000 1.159 341 A CA 1.842 53.920 52.037 0.069 0.000 0.656 341 A CB -1.026 18.015 19.000 0.069 0.000 0.800 341 A HN 0.924 nan 8.150 nan 0.000 0.453 342 G N -0.222 108.601 108.800 0.039 0.000 2.469 342 G HA2 -0.112 3.848 3.960 0.000 0.000 0.220 342 G HA3 -0.112 3.848 3.960 0.000 0.000 0.220 342 G C 0.686 175.600 174.900 0.023 0.000 1.136 342 G CA 1.222 46.339 45.100 0.029 0.000 0.759 342 G HN 0.661 nan 8.290 nan 0.000 0.562 343 K N -0.466 119.947 120.400 0.021 0.000 2.482 343 K HA 0.515 4.835 4.320 0.000 0.000 0.257 343 K C -3.105 173.492 176.600 -0.005 0.000 0.969 343 K CA -2.395 53.897 56.287 0.008 0.000 0.842 343 K CB 1.738 34.240 32.500 0.005 0.000 1.359 343 K HN -0.265 nan 8.250 nan 0.000 0.441 344 P HA -0.062 nan 4.420 nan 0.000 0.267 344 P C -1.183 176.067 177.300 -0.083 0.000 1.201 344 P CA -0.267 62.804 63.100 -0.048 0.000 0.775 344 P CB 0.336 32.001 31.700 -0.058 0.000 0.854 345 L N 3.030 124.177 121.223 -0.127 0.000 2.319 345 L HA 0.431 4.771 4.340 0.000 0.000 0.281 345 L C -0.703 176.054 176.870 -0.189 0.000 1.005 345 L CA -0.040 54.683 54.840 -0.196 0.000 0.828 345 L CB 0.796 42.659 42.059 -0.325 0.000 1.227 345 L HN 0.177 nan 8.230 nan 0.000 0.415 346 K N 6.646 126.928 120.400 -0.197 0.000 2.413 346 K HA 0.604 4.924 4.320 0.000 0.000 0.257 346 K C -1.365 175.183 176.600 -0.088 0.000 0.946 346 K CA -0.473 55.748 56.287 -0.109 0.000 0.823 346 K CB 2.072 34.337 32.500 -0.392 0.000 1.109 346 K HN 0.524 nan 8.250 nan 0.000 0.427 347 I N 1.376 121.952 120.570 0.011 0.000 2.406 347 I HA 0.229 4.399 4.170 0.000 0.000 0.290 347 I C -0.311 175.779 176.117 -0.044 0.000 0.999 347 I CA -0.516 60.726 61.300 -0.095 0.000 1.124 347 I CB 2.039 39.932 38.000 -0.178 0.000 1.289 347 I HN 0.407 nan 8.210 nan 0.000 0.441 348 S N 6.493 122.164 115.700 -0.049 0.000 2.532 348 S HA 0.684 5.154 4.470 0.000 0.000 0.299 348 S C -1.209 173.363 174.600 -0.048 0.000 1.105 348 S CA -0.546 57.603 58.200 -0.084 0.000 1.018 348 S CB 1.250 64.410 63.200 -0.067 0.000 1.021 348 S HN 0.472 nan 8.310 nan 0.000 0.483 349 L N 6.425 127.623 121.223 -0.041 0.000 2.287 349 L HA 0.787 5.127 4.340 0.000 0.000 0.287 349 L C -1.362 175.599 176.870 0.153 0.000 1.022 349 L CA -0.222 54.672 54.840 0.091 0.000 0.814 349 L CB 1.321 43.434 42.059 0.089 0.000 1.217 349 L HN 0.489 nan 8.230 nan 0.000 0.420 350 V N 5.178 125.228 119.914 0.226 0.000 2.709 350 V HA 0.601 4.721 4.120 0.000 0.000 0.308 350 V C -1.070 175.251 176.094 0.377 0.000 1.062 350 V CA -0.442 61.953 62.300 0.158 0.000 0.901 350 V CB 1.610 33.456 31.823 0.037 0.000 1.003 350 V HN 0.886 nan 8.190 nan 0.000 0.425 351 W N 1.742 123.086 121.300 0.074 0.000 2.950 351 W HA 0.770 5.430 4.660 -0.000 0.000 0.340 351 W C -0.491 176.068 176.519 0.066 0.000 1.139 351 W CA -0.974 56.429 57.345 0.096 0.000 1.188 351 W CB 1.383 30.919 29.460 0.127 0.000 1.426 351 W HN 0.331 nan 8.180 nan 0.000 0.531 352 S N 2.634 118.472 115.700 0.230 0.000 2.485 352 S HA 0.038 4.508 4.470 0.000 0.000 0.312 352 S C -0.403 174.313 174.600 0.194 0.000 1.102 352 S CA -0.150 58.120 58.200 0.117 0.000 1.066 352 S CB -0.329 62.919 63.200 0.079 0.000 1.102 352 S HN 0.466 nan 8.310 nan 0.000 0.519 353 D N 2.499 122.988 120.400 0.148 0.000 2.360 353 D HA 0.435 5.075 4.640 0.000 0.000 0.242 353 D C 0.412 176.808 176.300 0.161 0.000 1.184 353 D CA -0.279 53.865 54.000 0.241 0.000 0.930 353 D CB 0.740 41.617 40.800 0.129 0.000 1.161 353 D HN 0.517 nan 8.370 nan 0.000 0.447 354 A N 2.381 125.297 122.820 0.161 0.000 2.483 354 A HA 0.347 4.667 4.320 0.000 0.000 0.238 354 A C -2.133 175.514 177.584 0.105 0.000 1.070 354 A CA -0.899 51.205 52.037 0.112 0.000 0.770 354 A CB -0.225 18.831 19.000 0.093 0.000 1.008 354 A HN 0.514 nan 8.150 nan 0.000 0.497 355 P HA 0.298 nan 4.420 nan 0.000 0.271 355 P C -0.224 177.147 177.300 0.118 0.000 1.216 355 P CA 0.177 63.375 63.100 0.163 0.000 0.771 355 P CB 0.920 32.718 31.700 0.162 0.000 0.864 356 A N 3.109 125.977 122.820 0.080 0.000 2.332 356 A HA 0.383 4.703 4.320 0.000 0.000 0.258 356 A C 0.696 178.337 177.584 0.095 0.000 1.087 356 A CA -0.302 51.679 52.037 -0.093 0.000 0.802 356 A CB -0.115 18.503 19.000 -0.638 0.000 1.042 356 A HN 0.581 nan 8.150 nan 0.000 0.489 357 S N -0.353 115.368 115.700 0.035 0.000 2.576 357 S HA 0.222 4.692 4.470 0.000 0.000 0.276 357 S C 1.365 176.044 174.600 0.132 0.000 1.339 357 S CA 0.268 58.517 58.200 0.083 0.000 1.039 357 S CB 0.425 63.649 63.200 0.040 0.000 0.902 357 S HN 1.294 nan 8.310 nan 0.000 0.516 358 T N 0.268 114.920 114.554 0.163 0.000 3.113 358 T HA -0.019 4.331 4.350 0.000 0.000 0.263 358 T C 1.291 176.054 174.700 0.105 0.000 1.143 358 T CA 1.045 63.255 62.100 0.184 0.000 1.090 358 T CB -0.851 68.091 68.868 0.125 0.000 0.922 358 T HN 0.764 nan 8.240 nan 0.000 0.521 359 T N -0.978 113.616 114.554 0.067 0.000 3.069 359 T HA 0.633 4.983 4.350 0.000 0.000 0.252 359 T C 0.814 175.528 174.700 0.023 0.000 1.053 359 T CA -0.115 62.010 62.100 0.041 0.000 0.964 359 T CB -0.043 68.845 68.868 0.032 0.000 1.005 359 T HN 0.541 nan 8.240 nan 0.000 0.532 360 A N 1.987 124.812 122.820 0.009 0.000 2.425 360 A HA 0.542 4.862 4.320 0.000 0.000 0.249 360 A C 1.607 179.179 177.584 -0.019 0.000 1.084 360 A CA -0.026 52.001 52.037 -0.017 0.000 0.781 360 A CB 0.367 19.334 19.000 -0.054 0.000 1.019 360 A HN 0.464 nan 8.150 nan 0.000 0.490 361 S N 1.060 116.753 115.700 -0.011 0.000 2.496 361 S HA 0.136 4.606 4.470 0.000 0.000 0.224 361 S C 0.329 174.919 174.600 -0.017 0.000 0.996 361 S CA 0.663 58.860 58.200 -0.006 0.000 0.927 361 S CB -0.228 62.974 63.200 0.003 0.000 0.774 361 S HN 0.550 nan 8.310 nan 0.000 0.524 362 V N 2.521 122.416 119.914 -0.032 0.000 2.531 362 V HA 0.402 4.522 4.120 0.000 0.000 0.301 362 V C 1.212 177.248 176.094 -0.096 0.000 1.034 362 V CA -0.144 62.132 62.300 -0.040 0.000 0.865 362 V CB 1.717 33.535 31.823 -0.007 0.000 0.995 362 V HN 0.545 nan 8.190 nan 0.000 0.424 363 T N 1.973 116.437 114.554 -0.151 0.000 3.035 363 T HA 0.134 4.484 4.350 0.000 0.000 0.259 363 T C 0.738 175.324 174.700 -0.190 0.000 1.078 363 T CA 0.170 62.084 62.100 -0.310 0.000 1.132 363 T CB 0.014 68.542 68.868 -0.566 0.000 0.900 363 T HN 0.265 nan 8.240 nan 0.000 0.480 364 L N 2.551 123.730 121.223 -0.073 0.000 2.499 364 L HA 0.223 4.563 4.340 0.000 0.000 0.273 364 L C 1.038 177.937 176.870 0.049 0.000 1.195 364 L CA 0.239 55.090 54.840 0.018 0.000 0.882 364 L CB 0.754 42.866 42.059 0.088 0.000 1.133 364 L HN 0.023 nan 8.230 nan 0.000 0.483 365 V N 3.123 123.091 119.914 0.089 0.000 2.602 365 V HA 0.172 4.292 4.120 0.000 0.000 0.235 365 V C 0.564 176.737 176.094 0.132 0.000 1.087 365 V CA 0.439 62.791 62.300 0.088 0.000 1.117 365 V CB -0.194 31.673 31.823 0.074 0.000 0.820 365 V HN 0.773 nan 8.190 nan 0.000 0.490 366 N N 1.913 120.739 118.700 0.210 0.000 2.426 366 N HA 0.312 5.052 4.740 0.000 0.000 0.275 366 N C -1.188 174.477 175.510 0.258 0.000 1.019 366 N CA -0.173 52.980 53.050 0.173 0.000 0.941 366 N CB 1.479 40.033 38.487 0.112 0.000 1.123 366 N HN 0.261 nan 8.380 nan 0.000 0.486 367 D N 2.821 123.304 120.400 0.138 0.000 2.414 367 D HA 0.326 4.966 4.640 0.000 0.000 0.232 367 D C -0.688 175.578 176.300 -0.056 0.000 1.070 367 D CA -0.386 53.727 54.000 0.188 0.000 0.839 367 D CB 0.538 41.508 40.800 0.284 0.000 1.079 367 D HN 0.323 nan 8.370 nan 0.000 0.521 368 L N 2.609 123.567 121.223 -0.443 0.000 2.334 368 L HA 0.521 4.861 4.340 0.000 0.000 0.275 368 L C -0.026 176.723 176.870 -0.202 0.000 1.036 368 L CA -0.958 53.543 54.840 -0.566 0.000 0.807 368 L CB 1.478 42.827 42.059 -1.183 0.000 1.231 368 L HN 0.223 nan 8.230 nan 0.000 0.438 369 D N 2.268 122.622 120.400 -0.077 0.000 2.362 369 D HA 0.428 5.068 4.640 0.000 0.000 0.247 369 D C -0.873 175.422 176.300 -0.009 0.000 1.050 369 D CA -0.423 53.617 54.000 0.067 0.000 0.839 369 D CB 2.873 43.847 40.800 0.290 0.000 1.283 369 D HN 0.116 nan 8.370 nan 0.000 0.477 370 L N 2.375 123.581 121.223 -0.028 0.000 2.276 370 L HA 0.426 4.766 4.340 0.000 0.000 0.286 370 L C -1.168 175.657 176.870 -0.075 0.000 1.061 370 L CA -0.299 54.500 54.840 -0.068 0.000 0.807 370 L CB 1.207 43.209 42.059 -0.095 0.000 1.177 370 L HN 0.133 nan 8.230 nan 0.000 0.429 371 V N 6.686 126.585 119.914 -0.025 0.000 2.482 371 V HA 0.477 4.597 4.120 0.000 0.000 0.295 371 V C -0.438 175.683 176.094 0.045 0.000 1.026 371 V CA -0.609 61.687 62.300 -0.008 0.000 0.856 371 V CB 1.567 33.425 31.823 0.058 0.000 1.001 371 V HN 0.506 nan 8.190 nan 0.000 0.424 372 I N 3.577 124.194 120.570 0.078 0.000 2.441 372 I HA 0.557 4.727 4.170 0.000 0.000 0.295 372 I C 0.297 176.568 176.117 0.256 0.000 0.994 372 I CA -0.256 61.141 61.300 0.161 0.000 1.144 372 I CB 1.924 39.996 38.000 0.121 0.000 1.314 372 I HN 0.536 nan 8.210 nan 0.000 0.445 373 T N 5.137 119.825 114.554 0.224 0.000 2.791 373 T HA 0.657 5.007 4.350 0.000 0.000 0.288 373 T C 0.313 175.075 174.700 0.104 0.000 0.999 373 T CA -0.506 61.696 62.100 0.170 0.000 0.952 373 T CB 1.612 70.529 68.868 0.082 0.000 0.938 373 T HN 0.716 nan 8.240 nan 0.000 0.444 374 A N 4.688 127.548 122.820 0.066 0.000 2.346 374 A HA 0.536 4.856 4.320 0.000 0.000 0.252 374 A C -1.189 176.156 177.584 -0.399 0.000 1.089 374 A CA -1.372 50.407 52.037 -0.429 0.000 0.797 374 A CB -0.166 18.789 19.000 -0.075 0.000 1.047 374 A HN 0.506 nan 8.150 nan 0.000 0.494 375 P HA -0.193 nan 4.420 nan 0.000 0.216 375 P C 0.626 177.844 177.300 -0.135 0.000 1.154 375 P CA 1.976 64.916 63.100 -0.267 0.000 0.865 375 P CB -0.096 31.463 31.700 -0.235 0.000 0.789 376 N N -2.043 116.595 118.700 -0.104 0.000 2.314 376 N HA 0.139 4.879 4.740 0.000 0.000 0.200 376 N C 1.132 176.624 175.510 -0.031 0.000 1.135 376 N CA 0.646 53.670 53.050 -0.044 0.000 0.835 376 N CB -0.651 37.827 38.487 -0.014 0.000 0.989 376 N HN 0.219 nan 8.380 nan 0.000 0.478 377 G N -1.325 107.452 108.800 -0.039 0.000 2.213 377 G HA2 -0.261 3.699 3.960 0.000 0.000 0.226 377 G HA3 -0.261 3.699 3.960 0.000 0.000 0.226 377 G C 0.071 174.964 174.900 -0.012 0.000 0.992 377 G CA 0.156 45.244 45.100 -0.020 0.000 0.632 377 G HN 0.433 nan 8.290 nan 0.000 0.511 378 T N 2.391 116.944 114.554 -0.001 0.000 2.928 378 T HA 0.445 4.795 4.350 0.000 0.000 0.305 378 T C 0.260 174.913 174.700 -0.078 0.000 1.035 378 T CA 0.501 62.566 62.100 -0.059 0.000 1.145 378 T CB 1.202 70.052 68.868 -0.029 0.000 0.963 378 T HN 0.394 nan 8.240 nan 0.000 0.545 379 Q N 1.628 121.299 119.800 -0.215 0.000 2.309 379 Q HA 0.458 4.798 4.340 0.000 0.000 0.264 379 Q C -1.391 174.392 176.000 -0.362 0.000 1.008 379 Q CA -0.685 55.039 55.803 -0.133 0.000 0.853 379 Q CB 1.783 30.488 28.738 -0.056 0.000 1.314 379 Q HN 0.641 nan 8.270 nan 0.000 0.448 380 Y N -0.317 119.957 120.300 -0.043 0.000 2.442 380 Y HA 0.444 4.994 4.550 0.000 0.000 0.344 380 Y C -0.284 175.474 175.900 -0.237 0.000 0.976 380 Y CA -0.909 57.125 58.100 -0.111 0.000 1.040 380 Y CB 1.559 39.938 38.460 -0.135 0.000 1.228 380 Y HN 0.249 nan 8.280 nan 0.000 0.451 381 V N 2.161 121.941 119.914 -0.223 0.000 2.483 381 V HA 0.600 4.720 4.120 0.000 0.000 0.295 381 V C 0.557 176.426 176.094 -0.375 0.000 1.035 381 V CA -1.040 60.980 62.300 -0.468 0.000 0.896 381 V CB 1.673 32.955 31.823 -0.902 0.000 0.986 381 V HN 0.995 nan 8.190 nan 0.000 0.447 382 G N 3.235 111.842 108.800 -0.321 0.000 2.265 382 G HA2 0.152 4.112 3.960 0.000 0.000 0.240 382 G HA3 0.152 4.112 3.960 0.000 0.000 0.240 382 G C 0.545 175.277 174.900 -0.279 0.000 1.270 382 G CA 0.212 45.136 45.100 -0.293 0.000 0.901 382 G HN 0.968 nan 8.290 nan 0.000 0.507 383 N N -0.444 118.031 118.700 -0.374 0.000 2.800 383 N HA -0.164 4.576 4.740 0.000 0.000 0.250 383 N C -0.126 175.303 175.510 -0.136 0.000 1.078 383 N CA 1.528 54.480 53.050 -0.163 0.000 0.804 383 N CB -0.745 37.816 38.487 0.123 0.000 1.135 383 N HN 0.726 nan 8.380 nan 0.000 0.565 384 D N -0.137 120.062 120.400 -0.336 0.000 2.411 384 D HA 0.237 4.877 4.640 0.000 0.000 0.225 384 D C 0.186 176.388 176.300 -0.163 0.000 1.156 384 D CA -0.283 53.630 54.000 -0.146 0.000 0.874 384 D CB -0.338 40.380 40.800 -0.138 0.000 1.034 384 D HN 0.129 nan 8.370 nan 0.000 0.502 385 F N 1.286 121.353 119.950 0.195 0.000 2.641 385 F HA 0.108 4.635 4.527 -0.000 0.000 0.302 385 F C 1.039 177.063 175.800 0.373 0.000 1.098 385 F CA -0.275 57.889 58.000 0.273 0.000 1.318 385 F CB 0.540 39.677 39.000 0.227 0.000 1.035 385 F HN 0.124 nan 8.300 nan 0.000 0.551 386 T N -2.933 111.851 114.554 0.382 0.000 2.807 386 T HA 0.412 4.762 4.350 0.000 0.000 0.279 386 T C -0.023 174.538 174.700 -0.231 0.000 0.993 386 T CA -0.825 61.371 62.100 0.159 0.000 0.970 386 T CB 1.744 70.660 68.868 0.080 0.000 0.950 386 T HN -0.075 nan 8.240 nan 0.000 0.441 387 S N 3.559 118.963 115.700 -0.493 0.000 2.549 387 S HA 0.388 4.858 4.470 0.000 0.000 0.283 387 S C -2.081 172.265 174.600 -0.423 0.000 1.320 387 S CA -1.044 56.615 58.200 -0.903 0.000 1.058 387 S CB -0.492 62.346 63.200 -0.603 0.000 0.882 387 S HN 0.680 nan 8.310 nan 0.000 0.498 388 P HA 0.154 nan 4.420 nan 0.000 0.271 388 P C -0.600 176.432 177.300 -0.446 0.000 1.216 388 P CA -0.043 62.796 63.100 -0.435 0.000 0.771 388 P CB 0.069 31.635 31.700 -0.223 0.000 0.864 389 Y N 1.084 121.285 120.300 -0.165 0.000 2.477 389 Y HA 0.011 4.561 4.550 0.000 0.000 0.303 389 Y C 1.431 177.177 175.900 -0.256 0.000 1.202 389 Y CA -0.194 57.796 58.100 -0.183 0.000 1.282 389 Y CB -0.408 37.959 38.460 -0.154 0.000 1.071 389 Y HN 0.365 nan 8.280 nan 0.000 0.510 390 N N -1.225 117.377 118.700 -0.162 0.000 2.299 390 N HA -0.008 4.732 4.740 0.000 0.000 0.246 390 N C -0.182 175.208 175.510 -0.199 0.000 1.254 390 N CA 0.154 53.062 53.050 -0.236 0.000 0.879 390 N CB -0.232 38.155 38.487 -0.167 0.000 1.214 390 N HN 0.318 nan 8.380 nan 0.000 0.510 391 D N -1.048 119.262 120.400 -0.150 0.000 2.474 391 D HA 0.094 4.734 4.640 0.000 0.000 0.213 391 D C -0.742 175.574 176.300 0.027 0.000 1.120 391 D CA -0.139 53.858 54.000 -0.006 0.000 0.836 391 D CB -0.587 40.216 40.800 0.004 0.000 1.019 391 D HN 0.120 nan 8.370 nan 0.000 0.507 392 N N 0.409 119.040 118.700 -0.114 0.000 2.558 392 N HA 0.302 5.042 4.740 0.000 0.000 0.242 392 N C -1.301 174.128 175.510 -0.135 0.000 0.979 392 N CA -0.729 52.306 53.050 -0.025 0.000 0.931 392 N CB 0.719 39.205 38.487 -0.002 0.000 1.122 392 N HN 0.030 nan 8.380 nan 0.000 0.508 393 W N 0.938 122.212 121.300 -0.043 0.000 2.313 393 W HA 0.274 4.934 4.660 0.000 0.000 0.328 393 W C 0.469 176.957 176.519 -0.052 0.000 1.197 393 W CA -0.396 56.906 57.345 -0.072 0.000 1.235 393 W CB 0.629 30.002 29.460 -0.145 0.000 1.158 393 W HN 0.277 nan 8.180 nan 0.000 0.578 394 D N 0.658 121.161 120.400 0.172 0.000 2.233 394 D HA 0.330 4.970 4.640 0.000 0.000 0.240 394 D C 0.379 176.761 176.300 0.137 0.000 1.074 394 D CA -0.333 53.747 54.000 0.132 0.000 0.838 394 D CB 1.712 42.577 40.800 0.110 0.000 1.124 394 D HN 0.624 nan 8.370 nan 0.000 0.475 395 G N 3.126 111.993 108.800 0.112 0.000 3.839 395 G HA2 0.028 3.988 3.960 0.000 0.000 0.286 395 G HA3 0.028 3.988 3.960 0.000 0.000 0.286 395 G C 1.003 175.973 174.900 0.117 0.000 1.005 395 G CA -0.198 44.967 45.100 0.107 0.000 0.824 395 G HN 0.308 nan 8.290 nan 0.000 0.489 396 R N -0.185 120.382 120.500 0.112 0.000 2.383 396 R HA 0.222 4.562 4.340 0.000 0.000 0.205 396 R C -0.103 176.233 176.300 0.060 0.000 0.875 396 R CA -0.001 56.147 56.100 0.080 0.000 1.039 396 R CB 0.052 30.390 30.300 0.064 0.000 1.267 396 R HN 0.150 nan 8.270 nan 0.000 0.635 397 N N 2.545 121.286 118.700 0.068 0.000 2.487 397 N HA 0.072 4.812 4.740 0.000 0.000 0.292 397 N C 0.111 175.488 175.510 -0.222 0.000 1.108 397 N CA -0.123 52.919 53.050 -0.013 0.000 0.956 397 N CB 1.095 39.627 38.487 0.074 0.000 1.176 397 N HN 0.145 nan 8.380 nan 0.000 0.484 398 N N -0.206 118.185 118.700 -0.514 0.000 2.279 398 N HA 0.049 4.789 4.740 0.000 0.000 0.226 398 N C -0.883 173.959 175.510 -1.114 0.000 1.126 398 N CA -0.083 52.086 53.050 -1.469 0.000 0.846 398 N CB 0.396 38.045 38.487 -1.397 0.000 1.050 398 N HN 0.078 nan 8.380 nan 0.000 0.502 399 V N 0.392 120.014 119.914 -0.488 0.000 2.483 399 V HA 0.373 4.493 4.120 0.000 0.000 0.297 399 V C -0.481 175.490 176.094 -0.205 0.000 1.027 399 V CA -0.723 61.416 62.300 -0.268 0.000 0.855 399 V CB 2.032 33.756 31.823 -0.166 0.000 0.995 399 V HN 0.113 nan 8.190 nan 0.000 0.424 400 E N 3.717 123.820 120.200 -0.161 0.000 2.248 400 E HA 0.535 4.885 4.350 0.000 0.000 0.267 400 E C -1.264 175.103 176.600 -0.388 0.000 0.877 400 E CA -0.840 55.439 56.400 -0.202 0.000 0.759 400 E CB 2.435 32.130 29.700 -0.009 0.000 1.182 400 E HN 0.633 nan 8.360 nan 0.000 0.418 401 N N 1.149 119.491 118.700 -0.597 0.000 2.225 401 N HA 0.382 5.122 4.740 0.000 0.000 0.298 401 N C -1.335 173.682 175.510 -0.822 0.000 1.076 401 N CA -0.487 52.063 53.050 -0.832 0.000 0.792 401 N CB 2.545 40.105 38.487 -1.547 0.000 1.498 401 N HN 0.086 nan 8.380 nan 0.000 0.474 402 V N 2.892 122.435 119.914 -0.619 0.000 2.407 402 V HA 0.497 4.617 4.120 0.000 0.000 0.291 402 V C -0.859 175.091 176.094 -0.241 0.000 1.018 402 V CA -0.522 61.464 62.300 -0.525 0.000 0.842 402 V CB 0.615 32.218 31.823 -0.366 0.000 0.996 402 V HN 0.525 nan 8.190 nan 0.000 0.426 403 F N 5.633 125.403 119.950 -0.300 0.000 2.460 403 F HA 0.618 5.145 4.527 0.000 0.000 0.341 403 F C -0.062 175.620 175.800 -0.197 0.000 1.130 403 F CA -0.843 57.067 58.000 -0.150 0.000 0.962 403 F CB 1.793 40.863 39.000 0.117 0.000 1.171 403 F HN 0.282 nan 8.300 nan 0.000 0.436 404 I N 3.281 123.813 120.570 -0.064 0.000 2.420 404 I HA 0.209 4.379 4.170 0.000 0.000 0.282 404 I C 0.334 176.421 176.117 -0.050 0.000 1.019 404 I CA -0.390 60.827 61.300 -0.138 0.000 1.130 404 I CB 1.499 39.312 38.000 -0.311 0.000 1.262 404 I HN 0.556 nan 8.210 nan 0.000 0.454 405 N N 3.892 122.600 118.700 0.013 0.000 2.166 405 N HA -0.027 4.713 4.740 0.000 0.000 0.186 405 N C 0.715 176.238 175.510 0.021 0.000 1.019 405 N CA 1.106 54.171 53.050 0.025 0.000 0.856 405 N CB 0.204 38.724 38.487 0.055 0.000 0.993 405 N HN 0.711 nan 8.380 nan 0.000 0.426 406 A N 0.633 123.475 122.820 0.037 0.000 2.938 406 A HA 0.360 4.680 4.320 0.000 0.000 0.344 406 A C -2.425 175.203 177.584 0.073 0.000 1.142 406 A CA -1.234 50.834 52.037 0.052 0.000 0.841 406 A CB 0.196 19.235 19.000 0.066 0.000 1.083 406 A HN 0.047 nan 8.150 nan 0.000 0.479 407 P HA 0.228 nan 4.420 nan 0.000 0.274 407 P C -0.618 176.795 177.300 0.189 0.000 1.246 407 P CA -0.105 63.062 63.100 0.112 0.000 0.795 407 P CB 0.614 32.301 31.700 -0.022 0.000 1.006 408 Q N 0.157 120.148 119.800 0.318 0.000 2.286 408 Q HA 0.279 4.620 4.340 0.000 0.000 0.257 408 Q C 0.038 176.184 176.000 0.244 0.000 0.941 408 Q CA -0.239 55.697 55.803 0.222 0.000 0.912 408 Q CB 0.349 29.169 28.738 0.136 0.000 1.192 408 Q HN 0.322 nan 8.270 nan 0.000 0.410 409 S N 1.543 117.326 115.700 0.138 0.000 2.525 409 S HA 0.505 4.976 4.470 0.000 0.000 0.285 409 S C 0.289 174.950 174.600 0.103 0.000 1.283 409 S CA 0.328 58.597 58.200 0.115 0.000 1.072 409 S CB 0.252 63.491 63.200 0.065 0.000 0.867 409 S HN 0.807 nan 8.310 nan 0.000 0.492 410 G N 2.243 111.115 108.800 0.120 0.000 2.369 410 G HA2 0.169 4.129 3.960 0.000 0.000 0.293 410 G HA3 0.169 4.129 3.960 0.000 0.000 0.293 410 G C -1.071 173.884 174.900 0.093 0.000 1.301 410 G CA -1.014 44.119 45.100 0.055 0.000 0.913 410 G HN 0.521 nan 8.290 nan 0.000 0.540 411 T N 1.285 115.850 114.554 0.019 0.000 2.729 411 T HA 0.533 4.883 4.350 0.000 0.000 0.296 411 T C -0.818 173.910 174.700 0.045 0.000 0.928 411 T CA 0.357 62.493 62.100 0.061 0.000 1.045 411 T CB 0.206 69.087 68.868 0.023 0.000 0.902 411 T HN 0.342 nan 8.240 nan 0.000 0.500 412 Y N 1.995 122.356 120.300 0.102 0.000 2.320 412 Y HA 0.322 4.872 4.550 0.000 0.000 0.334 412 Y C 1.293 177.274 175.900 0.135 0.000 1.055 412 Y CA -0.697 57.478 58.100 0.125 0.000 1.143 412 Y CB 0.999 39.547 38.460 0.148 0.000 1.193 412 Y HN 0.473 nan 8.280 nan 0.000 0.477 413 T N 5.515 120.202 114.554 0.221 0.000 2.806 413 T HA 0.532 4.882 4.350 0.000 0.000 0.290 413 T C -0.208 174.607 174.700 0.192 0.000 0.966 413 T CA -0.369 61.835 62.100 0.173 0.000 1.060 413 T CB 0.088 69.018 68.868 0.103 0.000 0.927 413 T HN 0.352 nan 8.240 nan 0.000 0.485 414 I N 3.148 123.839 120.570 0.201 0.000 2.410 414 I HA 0.339 4.509 4.170 0.000 0.000 0.286 414 I C 0.165 176.395 176.117 0.188 0.000 1.009 414 I CA -0.638 60.775 61.300 0.188 0.000 1.111 414 I CB 1.654 39.775 38.000 0.202 0.000 1.262 414 I HN 0.525 nan 8.210 nan 0.000 0.443 415 E N 5.475 125.742 120.200 0.112 0.000 2.183 415 E HA 0.538 4.888 4.350 0.000 0.000 0.271 415 E C -1.204 175.406 176.600 0.016 0.000 0.919 415 E CA -0.810 55.632 56.400 0.070 0.000 0.781 415 E CB 3.072 32.803 29.700 0.051 0.000 1.140 415 E HN 0.240 nan 8.360 nan 0.000 0.402 416 V N 3.650 123.542 119.914 -0.036 0.000 2.350 416 V HA 0.183 4.303 4.120 0.000 0.000 0.285 416 V C -0.412 175.566 176.094 -0.193 0.000 1.014 416 V CA -0.675 61.487 62.300 -0.229 0.000 0.831 416 V CB 1.110 32.565 31.823 -0.613 0.000 1.000 416 V HN 0.631 nan 8.190 nan 0.000 0.433 417 Q N 3.042 122.761 119.800 -0.136 0.000 2.307 417 Q HA 0.690 5.030 4.340 0.000 0.000 0.262 417 Q C -0.076 175.867 176.000 -0.096 0.000 0.961 417 Q CA -0.599 55.166 55.803 -0.064 0.000 0.882 417 Q CB 2.399 31.163 28.738 0.044 0.000 1.264 417 Q HN 0.846 nan 8.270 nan 0.000 0.446 418 A N 2.666 125.432 122.820 -0.091 0.000 2.527 418 A HA 0.072 4.392 4.320 0.000 0.000 0.313 418 A C -0.071 177.492 177.584 -0.035 0.000 1.410 418 A CA -0.223 51.751 52.037 -0.105 0.000 1.060 418 A CB -0.241 18.694 19.000 -0.108 0.000 1.137 418 A HN 0.931 nan 8.150 nan 0.000 0.542 419 Y N 3.140 123.371 120.300 -0.114 0.000 2.220 419 Y HA 0.026 4.576 4.550 0.000 0.000 0.291 419 Y C 0.494 176.348 175.900 -0.077 0.000 1.129 419 Y CA 1.793 59.838 58.100 -0.090 0.000 1.161 419 Y CB 0.349 38.768 38.460 -0.068 0.000 0.997 419 Y HN 0.603 nan 8.280 nan 0.000 0.522 420 N N -0.238 118.384 118.700 -0.131 0.000 2.655 420 N HA 0.200 4.940 4.740 0.000 0.000 0.277 420 N C -2.284 173.188 175.510 -0.063 0.000 1.177 420 N CA -0.246 52.690 53.050 -0.191 0.000 0.882 420 N CB 1.251 39.607 38.487 -0.219 0.000 1.481 420 N HN -0.131 nan 8.380 nan 0.000 0.547 421 V N 6.284 126.154 119.914 -0.074 0.000 2.313 421 V HA 0.379 4.499 4.120 0.000 0.000 0.262 421 V C -1.381 174.696 176.094 -0.028 0.000 1.011 421 V CA -0.978 61.298 62.300 -0.041 0.000 0.858 421 V CB 1.349 33.137 31.823 -0.058 0.000 1.104 421 V HN 0.547 nan 8.190 nan 0.000 0.456 422 P HA 0.016 nan 4.420 nan 0.000 0.229 422 P C 0.457 177.759 177.300 0.003 0.000 1.160 422 P CA 0.817 63.911 63.100 -0.010 0.000 0.777 422 P CB 0.651 32.348 31.700 -0.004 0.000 0.814 423 V N 0.311 120.235 119.914 0.017 0.000 2.271 423 V HA 0.516 4.636 4.120 0.000 0.000 0.259 423 V C 0.777 176.885 176.094 0.025 0.000 1.030 423 V CA -0.519 61.796 62.300 0.024 0.000 0.957 423 V CB 0.647 32.493 31.823 0.038 0.000 1.186 423 V HN 0.043 nan 8.190 nan 0.000 0.471 424 G N 2.609 111.415 108.800 0.011 0.000 2.601 424 G HA2 0.811 4.771 3.960 0.000 0.000 0.317 424 G HA3 0.811 4.771 3.960 0.000 0.000 0.317 424 G C -2.415 172.490 174.900 0.009 0.000 1.246 424 G CA -1.131 43.974 45.100 0.008 0.000 1.012 424 G HN 0.452 nan 8.290 nan 0.000 0.494 425 P HA 0.387 nan 4.420 nan 0.000 0.278 425 P C -1.277 176.038 177.300 0.026 0.000 1.266 425 P CA -0.433 62.673 63.100 0.012 0.000 0.807 425 P CB 1.671 33.380 31.700 0.015 0.000 1.094 426 Q N 0.173 119.987 119.800 0.024 0.000 2.333 426 Q HA 0.400 4.740 4.340 0.000 0.000 0.265 426 Q C -0.272 175.792 176.000 0.108 0.000 0.989 426 Q CA -0.350 55.479 55.803 0.043 0.000 0.842 426 Q CB 1.095 29.811 28.738 -0.038 0.000 1.262 426 Q HN 0.500 nan 8.270 nan 0.000 0.451 427 T N 2.934 117.560 114.554 0.120 0.000 2.814 427 T HA 0.821 5.171 4.350 0.000 0.000 0.284 427 T C -0.919 173.943 174.700 0.270 0.000 0.998 427 T CA -0.077 62.098 62.100 0.125 0.000 0.935 427 T CB 0.179 69.041 68.868 -0.010 0.000 1.167 427 T HN 0.548 nan 8.240 nan 0.000 0.545 428 F N -1.782 118.211 119.950 0.071 0.000 2.807 428 F HA 0.711 5.238 4.527 -0.000 0.000 0.316 428 F C -1.084 174.762 175.800 0.078 0.000 1.162 428 F CA -1.151 56.921 58.000 0.121 0.000 0.910 428 F CB 0.837 39.891 39.000 0.090 0.000 1.314 428 F HN 0.428 nan 8.300 nan 0.000 0.454 429 S N 1.021 116.860 115.700 0.231 0.000 2.599 429 S HA 0.859 5.329 4.470 0.000 0.000 0.294 429 S C -1.274 173.460 174.600 0.223 0.000 1.094 429 S CA -0.814 57.443 58.200 0.095 0.000 0.931 429 S CB 1.989 65.201 63.200 0.020 0.000 1.093 429 S HN 0.646 nan 8.310 nan 0.000 0.488 430 L N 1.451 122.741 121.223 0.111 0.000 2.381 430 L HA 0.864 5.204 4.340 0.000 0.000 0.268 430 L C -0.516 176.370 176.870 0.026 0.000 0.997 430 L CA -0.663 54.211 54.840 0.056 0.000 0.818 430 L CB 1.902 43.939 42.059 -0.037 0.000 1.310 430 L HN 0.770 nan 8.230 nan 0.000 0.416 431 A N 3.954 126.774 122.820 -0.001 0.000 2.393 431 A HA 0.887 5.207 4.320 0.000 0.000 0.306 431 A C -1.121 176.413 177.584 -0.083 0.000 1.050 431 A CA -0.385 51.658 52.037 0.009 0.000 0.724 431 A CB 1.251 20.276 19.000 0.041 0.000 1.248 431 A HN 0.600 nan 8.150 nan 0.000 0.424 432 I N 2.169 122.657 120.570 -0.137 0.000 2.447 432 I HA 0.411 4.581 4.170 0.000 0.000 0.287 432 I C -0.783 175.183 176.117 -0.252 0.000 1.023 432 I CA -0.839 60.269 61.300 -0.319 0.000 1.083 432 I CB 2.128 39.715 38.000 -0.688 0.000 1.245 432 I HN 0.312 nan 8.210 nan 0.000 0.434 433 V N 6.779 126.558 119.914 -0.226 0.000 2.435 433 V HA 0.552 4.672 4.120 0.000 0.000 0.290 433 V C -0.114 175.897 176.094 -0.138 0.000 1.030 433 V CA -0.339 61.875 62.300 -0.143 0.000 0.881 433 V CB 1.539 33.280 31.823 -0.136 0.000 0.983 433 V HN 0.914 nan 8.190 nan 0.000 0.445 434 N N 0.000 118.684 118.700 -0.026 0.000 1.763 434 N HA 0.000 4.740 4.740 0.000 0.000 0.220 434 N CA 0.000 53.071 53.050 0.035 0.000 0.885 434 N CB 0.000 38.576 38.487 0.149 0.000 1.341 434 N HN 0.000 nan 8.380 nan 0.000 0.667