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 2xe6_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKLTLDKLDV KGKRVVMRVD FNVPMKNNQI TNNQRIKAAV PSIKFCLDNG DATA SEQUENCE AKSVVLMSHL GRPDGVPMPD KYSLEPVAVE LKSLLGKDVL FLKDCVGPEV DATA SEQUENCE EKACANPAAG SVILLENLRF HVEEEGKGKD ASGNKVKAEP AKIEAFRASL DATA SEQUENCE SKLGDVYVND AFGTAHRAHS SMVGVNLPQK AGGFLMKKEL NYFAKALESP DATA SEQUENCE ERPFLAILGG AKVADKIQLI NNMLDKVNEM IIGGGMAFTF LKVLNNMEIG DATA SEQUENCE TSLFDEEGAK IVKDLMSKAE KNGVKITLPV DFVTADKFDE NAKTGQATVA DATA SEQUENCE SGIPAGWMGL DCGPESSKKY AEAVTRAKQI VWNGPVGVFE WEAFARGTKA DATA SEQUENCE LMDEVVKATS RGCITIIGGG DTATCCAKWN TEDKVSHVST GGGASLELLE DATA SEQUENCE GKVLPGVDAL SNI 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.520 175.510 0.016 0.000 1.280 4 N CA 0.000 53.058 53.050 0.013 0.000 0.885 4 N CB 0.000 38.492 38.487 0.009 0.000 1.341 5 K N 1.048 121.459 120.400 0.018 0.000 2.207 5 K HA 0.442 4.758 4.320 -0.007 0.000 0.255 5 K C -0.752 175.860 176.600 0.020 0.000 0.941 5 K CA -0.767 55.534 56.287 0.023 0.000 0.825 5 K CB 1.469 33.987 32.500 0.030 0.000 1.119 5 K HN 0.583 nan 8.250 nan 0.000 0.430 6 L N 2.265 123.501 121.223 0.022 0.000 2.490 6 L HA 0.148 4.484 4.340 -0.007 0.000 0.274 6 L C 0.029 176.905 176.870 0.010 0.000 1.201 6 L CA 0.912 55.763 54.840 0.019 0.000 0.869 6 L CB 0.296 42.369 42.059 0.024 0.000 1.123 6 L HN 0.834 nan 8.230 nan 0.000 0.484 7 T N 1.825 116.381 114.554 0.002 0.000 2.901 7 T HA 0.340 4.686 4.350 -0.007 0.000 0.293 7 T C 0.655 175.326 174.700 -0.048 0.000 1.084 7 T CA -0.583 61.507 62.100 -0.017 0.000 1.008 7 T CB 1.020 69.893 68.868 0.008 0.000 1.170 7 T HN 0.573 nan 8.240 nan 0.000 0.509 8 L N 1.370 122.507 121.223 -0.145 0.000 2.127 8 L HA -0.046 4.290 4.340 -0.007 0.000 0.211 8 L C 2.181 178.908 176.870 -0.238 0.000 1.089 8 L CA 2.328 56.999 54.840 -0.282 0.000 0.757 8 L CB -1.056 40.600 42.059 -0.672 0.000 0.899 8 L HN 0.882 nan 8.230 nan 0.000 0.434 9 D N -1.204 119.139 120.400 -0.095 0.000 2.218 9 D HA -0.226 4.410 4.640 -0.007 0.000 0.204 9 D C 1.265 177.629 176.300 0.107 0.000 0.976 9 D CA 1.022 55.025 54.000 0.005 0.000 0.853 9 D CB -0.270 40.581 40.800 0.085 0.000 0.939 9 D HN 0.384 nan 8.370 nan 0.000 0.481 10 K N -0.182 120.257 120.400 0.066 0.000 2.374 10 K HA 0.152 4.468 4.320 -0.007 0.000 0.196 10 K C 0.466 177.116 176.600 0.083 0.000 1.023 10 K CA -0.504 55.830 56.287 0.077 0.000 1.103 10 K CB 0.583 33.111 32.500 0.047 0.000 0.848 10 K HN 0.166 nan 8.250 nan 0.000 0.528 11 L N 2.195 123.475 121.223 0.094 0.000 2.326 11 L HA 0.190 4.526 4.340 -0.007 0.000 0.278 11 L C -0.487 176.458 176.870 0.126 0.000 1.092 11 L CA -0.259 54.634 54.840 0.089 0.000 0.810 11 L CB 0.960 43.052 42.059 0.055 0.000 1.153 11 L HN -0.087 nan 8.230 nan 0.000 0.439 12 D N 3.073 123.521 120.400 0.081 0.000 2.313 12 D HA 0.207 4.843 4.640 -0.007 0.000 0.239 12 D C 0.579 176.906 176.300 0.046 0.000 1.142 12 D CA -0.098 53.940 54.000 0.063 0.000 0.847 12 D CB 1.194 42.018 40.800 0.040 0.000 1.082 12 D HN 0.370 nan 8.370 nan 0.000 0.480 13 V N 1.038 120.974 119.914 0.036 0.000 3.578 13 V HA 0.288 4.404 4.120 -0.007 0.000 0.290 13 V C 0.405 176.494 176.094 -0.007 0.000 1.376 13 V CA -0.381 61.929 62.300 0.018 0.000 1.083 13 V CB -0.856 30.983 31.823 0.027 0.000 0.911 13 V HN 0.259 nan 8.190 nan 0.000 0.433 14 K N 2.247 122.638 120.400 -0.014 0.000 2.436 14 K HA 0.488 4.804 4.320 -0.007 0.000 0.282 14 K C 1.249 177.841 176.600 -0.012 0.000 1.044 14 K CA 0.723 56.996 56.287 -0.022 0.000 1.028 14 K CB 0.244 32.731 32.500 -0.022 0.000 0.919 14 K HN 0.633 nan 8.250 nan 0.000 0.474 15 G N 2.295 111.086 108.800 -0.014 0.000 2.155 15 G HA2 -0.284 3.672 3.960 -0.007 0.000 0.257 15 G HA3 -0.284 3.672 3.960 -0.007 0.000 0.257 15 G C -0.285 174.612 174.900 -0.006 0.000 0.983 15 G CA 0.073 45.168 45.100 -0.009 0.000 0.676 15 G HN 0.496 nan 8.290 nan 0.000 0.528 16 K N 0.135 120.532 120.400 -0.004 0.000 2.156 16 K HA 0.474 4.790 4.320 -0.007 0.000 0.254 16 K C 0.406 177.006 176.600 -0.001 0.000 0.950 16 K CA -0.884 55.403 56.287 0.000 0.000 0.849 16 K CB 1.559 34.063 32.500 0.006 0.000 1.100 16 K HN 0.252 nan 8.250 nan 0.000 0.434 17 R N 1.106 121.606 120.500 0.000 0.000 2.298 17 R HA 0.236 4.572 4.340 -0.007 0.000 0.310 17 R C -0.292 176.010 176.300 0.003 0.000 1.068 17 R CA -0.470 55.629 56.100 -0.001 0.000 0.957 17 R CB 0.633 30.931 30.300 -0.003 0.000 1.003 17 R HN 0.221 nan 8.270 nan 0.000 0.454 18 V N 4.816 124.729 119.914 -0.001 0.000 2.370 18 V HA 0.199 4.315 4.120 -0.007 0.000 0.279 18 V C 0.116 176.203 176.094 -0.011 0.000 1.029 18 V CA -0.842 61.455 62.300 -0.005 0.000 0.870 18 V CB 1.524 33.337 31.823 -0.016 0.000 0.984 18 V HN 0.481 nan 8.190 nan 0.000 0.451 19 V N 4.057 123.976 119.914 0.009 0.000 2.383 19 V HA 0.577 4.693 4.120 -0.007 0.000 0.275 19 V C -0.142 175.925 176.094 -0.045 0.000 1.036 19 V CA -0.483 61.825 62.300 0.013 0.000 0.889 19 V CB 1.190 33.064 31.823 0.086 0.000 0.985 19 V HN 0.909 nan 8.190 nan 0.000 0.459 20 M N 4.914 124.453 119.600 -0.102 0.000 2.190 20 M HA 0.526 5.002 4.480 -0.007 0.000 0.312 20 M C -0.486 175.696 176.300 -0.197 0.000 0.990 20 M CA -0.665 54.507 55.300 -0.213 0.000 0.927 20 M CB 1.500 33.992 32.600 -0.181 0.000 1.571 20 M HN 0.653 nan 8.290 nan 0.000 0.427 21 R N 3.683 124.041 120.500 -0.237 0.000 2.298 21 R HA 0.543 4.879 4.340 -0.007 0.000 0.310 21 R C -1.218 174.959 176.300 -0.205 0.000 1.068 21 R CA -0.025 55.987 56.100 -0.147 0.000 0.957 21 R CB 0.536 30.820 30.300 -0.026 0.000 1.003 21 R HN 0.643 nan 8.270 nan 0.000 0.454 22 V N -0.066 119.682 119.914 -0.277 0.000 3.001 22 V HA 0.462 4.578 4.120 -0.007 0.000 0.314 22 V C -0.373 175.567 176.094 -0.256 0.000 1.099 22 V CA -1.164 60.920 62.300 -0.360 0.000 0.989 22 V CB 2.356 33.677 31.823 -0.836 0.000 1.040 22 V HN 0.550 nan 8.190 nan 0.000 0.434 23 D N 1.778 122.118 120.400 -0.101 0.000 2.443 23 D HA 0.375 5.011 4.640 -0.007 0.000 0.221 23 D C -0.681 175.727 176.300 0.180 0.000 1.097 23 D CA -0.395 53.616 54.000 0.019 0.000 0.865 23 D CB 0.887 41.744 40.800 0.095 0.000 1.034 23 D HN 0.462 nan 8.370 nan 0.000 0.511 24 F N 2.294 122.202 119.950 -0.071 0.000 2.772 24 F HA 0.176 4.699 4.527 -0.007 0.000 0.302 24 F C 1.080 176.807 175.800 -0.122 0.000 1.136 24 F CA -0.825 57.137 58.000 -0.064 0.000 1.322 24 F CB -0.700 38.280 39.000 -0.032 0.000 0.967 24 F HN 0.272 nan 8.300 nan 0.000 0.513 25 N N 1.876 120.555 118.700 -0.036 0.000 3.178 25 N HA 0.131 4.867 4.740 -0.007 0.000 0.300 25 N C -0.344 175.153 175.510 -0.022 0.000 1.242 25 N CA 0.058 53.018 53.050 -0.151 0.000 1.192 25 N CB -0.042 38.209 38.487 -0.394 0.000 1.463 25 N HN 0.036 nan 8.380 nan 0.000 0.539 26 V N -0.034 119.881 119.914 0.003 0.000 2.834 26 V HA 0.655 4.771 4.120 -0.007 0.000 0.301 26 V C -2.095 174.008 176.094 0.014 0.000 1.066 26 V CA -2.075 60.227 62.300 0.003 0.000 1.052 26 V CB 0.543 32.349 31.823 -0.027 0.000 1.021 26 V HN 0.257 nan 8.190 nan 0.000 0.480 27 P HA 0.350 nan 4.420 nan 0.000 0.271 27 P C -0.539 176.770 177.300 0.016 0.000 1.216 27 P CA 0.099 63.212 63.100 0.022 0.000 0.771 27 P CB 0.349 32.056 31.700 0.012 0.000 0.864 28 M N 2.285 121.903 119.600 0.030 0.000 2.591 28 M HA 0.526 5.002 4.480 -0.007 0.000 0.306 28 M C -0.385 175.924 176.300 0.014 0.000 1.190 28 M CA -0.870 54.442 55.300 0.019 0.000 0.889 28 M CB 2.345 34.965 32.600 0.034 0.000 1.728 28 M HN 0.145 nan 8.290 nan 0.000 0.458 29 K N 1.135 121.535 120.400 0.000 0.000 2.581 29 K HA 0.406 4.722 4.320 -0.007 0.000 0.249 29 K C -0.881 175.711 176.600 -0.013 0.000 0.966 29 K CA -0.005 56.280 56.287 -0.003 0.000 0.811 29 K CB 0.732 33.232 32.500 -0.001 0.000 1.223 29 K HN 0.748 nan 8.250 nan 0.000 0.438 30 N N 3.887 122.576 118.700 -0.019 0.000 2.727 30 N HA -0.290 4.446 4.740 -0.007 0.000 0.249 30 N C -1.027 174.467 175.510 -0.027 0.000 1.048 30 N CA 0.890 53.925 53.050 -0.024 0.000 0.714 30 N CB -1.228 37.248 38.487 -0.018 0.000 0.959 30 N HN 0.971 nan 8.380 nan 0.000 0.544 31 N N -2.671 116.011 118.700 -0.030 0.000 2.925 31 N HA -0.190 4.545 4.740 -0.007 0.000 0.244 31 N C -1.253 174.237 175.510 -0.033 0.000 1.000 31 N CA 0.990 54.021 53.050 -0.032 0.000 0.895 31 N CB -0.388 38.080 38.487 -0.033 0.000 1.119 31 N HN 0.434 nan 8.380 nan 0.000 0.569 32 Q N 0.146 119.929 119.800 -0.028 0.000 2.421 32 Q HA 0.492 4.828 4.340 -0.007 0.000 0.280 32 Q C -0.225 175.758 176.000 -0.028 0.000 1.085 32 Q CA -0.635 55.148 55.803 -0.033 0.000 0.807 32 Q CB 1.920 30.640 28.738 -0.030 0.000 1.405 32 Q HN 0.212 nan 8.270 nan 0.000 0.419 33 I N 1.559 122.106 120.570 -0.038 0.000 2.533 33 I HA -0.010 4.155 4.170 -0.007 0.000 0.284 33 I C 1.568 177.667 176.117 -0.031 0.000 1.109 33 I CA 0.349 61.626 61.300 -0.038 0.000 1.412 33 I CB 0.649 38.613 38.000 -0.060 0.000 1.396 33 I HN 0.762 nan 8.210 nan 0.000 0.543 34 T N 0.903 115.444 114.554 -0.022 0.000 3.037 34 T HA 0.086 4.432 4.350 -0.007 0.000 0.251 34 T C 0.585 175.271 174.700 -0.024 0.000 1.079 34 T CA -0.005 62.084 62.100 -0.020 0.000 1.067 34 T CB 0.041 68.903 68.868 -0.011 0.000 0.948 34 T HN 0.529 nan 8.240 nan 0.000 0.496 35 N N 1.813 120.497 118.700 -0.027 0.000 2.519 35 N HA 0.214 4.950 4.740 -0.007 0.000 0.291 35 N C -0.735 174.751 175.510 -0.040 0.000 1.107 35 N CA -0.423 52.609 53.050 -0.031 0.000 0.904 35 N CB 1.607 40.078 38.487 -0.026 0.000 1.500 35 N HN 0.251 nan 8.380 nan 0.000 0.510 36 N N 2.633 121.305 118.700 -0.048 0.000 2.268 36 N HA -0.027 4.709 4.740 -0.007 0.000 0.204 36 N C 0.940 176.419 175.510 -0.052 0.000 1.124 36 N CA 0.158 53.168 53.050 -0.067 0.000 0.838 36 N CB 0.424 38.865 38.487 -0.077 0.000 0.994 36 N HN 0.464 nan 8.380 nan 0.000 0.489 37 Q N 1.478 121.260 119.800 -0.030 0.000 2.124 37 Q HA 0.018 4.354 4.340 -0.007 0.000 0.202 37 Q C 1.836 177.845 176.000 0.014 0.000 0.977 37 Q CA 1.608 57.404 55.803 -0.013 0.000 0.850 37 Q CB -0.148 28.579 28.738 -0.017 0.000 0.901 37 Q HN 0.410 nan 8.270 nan 0.000 0.429 38 R N -0.577 119.939 120.500 0.027 0.000 2.096 38 R HA -0.068 4.268 4.340 -0.007 0.000 0.235 38 R C 2.271 178.649 176.300 0.131 0.000 1.127 38 R CA 1.547 57.704 56.100 0.094 0.000 0.968 38 R CB -0.325 30.041 30.300 0.112 0.000 0.861 38 R HN 0.365 nan 8.270 nan 0.000 0.440 39 I N 0.706 121.260 120.570 -0.028 0.000 2.202 39 I HA -0.275 3.891 4.170 -0.007 0.000 0.242 39 I C 2.060 178.176 176.117 -0.003 0.000 1.091 39 I CA 1.381 62.571 61.300 -0.183 0.000 1.368 39 I CB -0.272 37.457 38.000 -0.452 0.000 1.058 39 I HN 0.077 nan 8.210 nan 0.000 0.410 40 K N 1.170 121.565 120.400 -0.008 0.000 2.103 40 K HA -0.156 4.160 4.320 -0.007 0.000 0.207 40 K C 2.265 178.909 176.600 0.074 0.000 1.048 40 K CA 1.524 57.826 56.287 0.025 0.000 0.930 40 K CB -0.330 32.176 32.500 0.011 0.000 0.716 40 K HN 0.333 nan 8.250 nan 0.000 0.444 41 A N 1.524 124.398 122.820 0.090 0.000 1.972 41 A HA -0.110 4.206 4.320 -0.007 0.000 0.219 41 A C 2.289 179.960 177.584 0.145 0.000 1.169 41 A CA 1.815 53.919 52.037 0.112 0.000 0.635 41 A CB -0.501 18.568 19.000 0.114 0.000 0.810 41 A HN 0.343 nan 8.150 nan 0.000 0.446 42 A N -0.816 122.118 122.820 0.190 0.000 2.167 42 A HA 0.249 4.564 4.320 -0.007 0.000 0.214 42 A C 1.988 179.668 177.584 0.160 0.000 1.151 42 A CA 1.026 53.174 52.037 0.186 0.000 0.735 42 A CB -0.503 18.654 19.000 0.260 0.000 0.802 42 A HN 0.297 nan 8.150 nan 0.000 0.467 43 V N 0.703 120.707 119.914 0.151 0.000 2.407 43 V HA -0.160 3.956 4.120 -0.007 0.000 0.248 43 V C -0.188 175.993 176.094 0.146 0.000 1.055 43 V CA 2.466 64.845 62.300 0.132 0.000 1.049 43 V CB -1.269 30.613 31.823 0.099 0.000 0.662 43 V HN 0.367 nan 8.190 nan 0.000 0.455 44 P HA -0.097 nan 4.420 nan 0.000 0.215 44 P C 2.014 179.499 177.300 0.307 0.000 1.153 44 P CA 1.696 64.949 63.100 0.255 0.000 0.853 44 P CB -0.074 31.791 31.700 0.276 0.000 0.788 45 S N -0.760 115.029 115.700 0.149 0.000 2.368 45 S HA -0.115 4.351 4.470 -0.007 0.000 0.225 45 S C 1.900 176.514 174.600 0.023 0.000 1.030 45 S CA 1.094 59.235 58.200 -0.099 0.000 0.999 45 S CB -1.067 62.012 63.200 -0.202 0.000 0.844 45 S HN 0.123 nan 8.310 nan 0.000 0.459 46 I N 1.327 121.938 120.570 0.069 0.000 2.202 46 I HA -0.186 3.980 4.170 -0.007 0.000 0.242 46 I C 2.480 178.657 176.117 0.100 0.000 1.091 46 I CA 1.133 62.478 61.300 0.075 0.000 1.368 46 I CB -0.294 37.761 38.000 0.092 0.000 1.058 46 I HN 0.195 nan 8.210 nan 0.000 0.410 47 K N 0.376 120.855 120.400 0.132 0.000 2.057 47 K HA -0.212 4.104 4.320 -0.007 0.000 0.207 47 K C 2.189 178.885 176.600 0.159 0.000 1.049 47 K CA 1.663 58.028 56.287 0.130 0.000 0.931 47 K CB -0.385 32.201 32.500 0.142 0.000 0.714 47 K HN 0.189 nan 8.250 nan 0.000 0.440 48 F N 1.572 121.573 119.950 0.085 0.000 2.126 48 F HA -0.303 4.221 4.527 -0.006 0.000 0.299 48 F C 2.306 178.122 175.800 0.025 0.000 1.096 48 F CA 1.348 59.406 58.000 0.097 0.000 1.255 48 F CB -0.327 38.768 39.000 0.159 0.000 0.997 48 F HN 0.012 nan 8.300 nan 0.000 0.479 49 C N 0.580 119.976 119.300 0.159 0.000 2.432 49 C HA -0.154 4.302 4.460 -0.007 0.000 0.277 49 C C 2.792 177.753 174.990 -0.049 0.000 1.249 49 C CA 1.107 60.146 59.018 0.036 0.000 1.725 49 C CB -1.372 26.399 27.740 0.053 0.000 2.028 49 C HN 0.512 nan 8.230 nan 0.000 0.477 50 L N 0.669 121.882 121.223 -0.015 0.000 2.027 50 L HA -0.142 4.194 4.340 -0.007 0.000 0.206 50 L C 2.253 179.089 176.870 -0.057 0.000 1.074 50 L CA 1.492 56.318 54.840 -0.023 0.000 0.745 50 L CB -0.839 41.224 42.059 0.007 0.000 0.898 50 L HN 0.292 nan 8.230 nan 0.000 0.433 51 D N -0.009 120.345 120.400 -0.077 0.000 2.178 51 D HA -0.144 4.492 4.640 -0.007 0.000 0.201 51 D C 1.366 177.565 176.300 -0.170 0.000 0.980 51 D CA 1.046 54.984 54.000 -0.104 0.000 0.842 51 D CB -0.259 40.488 40.800 -0.088 0.000 0.948 51 D HN 0.319 nan 8.370 nan 0.000 0.472 52 N N -0.245 118.294 118.700 -0.268 0.000 2.295 52 N HA 0.157 4.893 4.740 -0.007 0.000 0.221 52 N C 0.899 176.316 175.510 -0.154 0.000 1.129 52 N CA 0.475 53.355 53.050 -0.284 0.000 0.836 52 N CB 1.283 39.450 38.487 -0.534 0.000 1.040 52 N HN 0.170 nan 8.380 nan 0.000 0.494 53 G N 0.534 109.271 108.800 -0.104 0.000 2.141 53 G HA2 -0.283 3.673 3.960 -0.007 0.000 0.242 53 G HA3 -0.283 3.673 3.960 -0.007 0.000 0.242 53 G C 0.323 175.198 174.900 -0.042 0.000 0.982 53 G CA 0.068 45.131 45.100 -0.061 0.000 0.662 53 G HN 0.562 nan 8.290 nan 0.000 0.527 54 A N 0.097 122.891 122.820 -0.043 0.000 2.540 54 A HA 0.533 4.849 4.320 -0.007 0.000 0.239 54 A C 1.461 179.036 177.584 -0.015 0.000 1.061 54 A CA 1.496 53.519 52.037 -0.022 0.000 0.758 54 A CB 0.331 19.322 19.000 -0.015 0.000 0.991 54 A HN 0.670 nan 8.150 nan 0.000 0.502 55 K N 1.108 121.502 120.400 -0.010 0.000 2.025 55 K HA -0.075 4.241 4.320 -0.007 0.000 0.207 55 K C 0.630 177.228 176.600 -0.004 0.000 1.049 55 K CA 1.655 57.938 56.287 -0.007 0.000 0.933 55 K CB -0.111 32.386 32.500 -0.005 0.000 0.714 55 K HN 0.917 nan 8.250 nan 0.000 0.438 56 S N -1.185 114.513 115.700 -0.003 0.000 2.607 56 S HA 0.526 4.992 4.470 -0.007 0.000 0.273 56 S C -1.022 173.578 174.600 0.001 0.000 1.148 56 S CA -1.111 57.089 58.200 0.000 0.000 0.833 56 S CB 2.400 65.600 63.200 -0.001 0.000 1.130 56 S HN -0.116 nan 8.310 nan 0.000 0.470 57 V N 1.618 121.536 119.914 0.005 0.000 2.443 57 V HA 0.507 4.623 4.120 -0.007 0.000 0.293 57 V C -0.870 175.226 176.094 0.004 0.000 1.021 57 V CA -0.627 61.675 62.300 0.003 0.000 0.848 57 V CB 1.470 33.299 31.823 0.011 0.000 0.998 57 V HN 0.817 nan 8.190 nan 0.000 0.424 58 V N 6.770 126.678 119.914 -0.010 0.000 2.347 58 V HA 0.469 4.585 4.120 -0.007 0.000 0.280 58 V C -0.120 175.956 176.094 -0.030 0.000 1.021 58 V CA -0.361 61.931 62.300 -0.014 0.000 0.847 58 V CB 1.426 33.236 31.823 -0.022 0.000 0.990 58 V HN 0.643 nan 8.190 nan 0.000 0.444 59 L N 6.801 128.011 121.223 -0.021 0.000 2.295 59 L HA 0.736 5.072 4.340 -0.007 0.000 0.285 59 L C -0.068 176.761 176.870 -0.068 0.000 1.035 59 L CA -0.321 54.478 54.840 -0.068 0.000 0.806 59 L CB 1.483 43.526 42.059 -0.027 0.000 1.214 59 L HN 0.694 nan 8.230 nan 0.000 0.426 60 M N 1.621 121.152 119.600 -0.115 0.000 2.446 60 M HA 0.812 5.288 4.480 -0.007 0.000 0.294 60 M C -0.898 175.347 176.300 -0.092 0.000 1.158 60 M CA -0.408 54.851 55.300 -0.068 0.000 0.899 60 M CB 2.352 34.934 32.600 -0.032 0.000 1.687 60 M HN 0.438 nan 8.290 nan 0.000 0.455 61 S N 0.222 115.908 115.700 -0.023 0.000 2.588 61 S HA 0.575 5.041 4.470 -0.007 0.000 0.269 61 S C -1.486 173.168 174.600 0.090 0.000 1.157 61 S CA -0.779 57.425 58.200 0.007 0.000 0.824 61 S CB 1.464 64.623 63.200 -0.067 0.000 1.126 61 S HN 1.021 nan 8.310 nan 0.000 0.464 62 H N 1.478 120.562 119.070 0.023 0.000 2.517 62 H HA 0.826 5.378 4.556 -0.007 0.000 0.346 62 H C -1.197 174.144 175.328 0.023 0.000 1.222 62 H CA -0.816 55.236 56.048 0.006 0.000 1.314 62 H CB 1.126 30.899 29.762 0.018 0.000 1.609 62 H HN 0.452 nan 8.280 nan 0.000 0.571 63 L N 0.935 122.136 121.223 -0.037 0.000 2.476 63 L HA 0.463 4.799 4.340 -0.007 0.000 0.269 63 L C 0.504 177.359 176.870 -0.025 0.000 0.965 63 L CA 1.051 55.853 54.840 -0.062 0.000 0.845 63 L CB 1.358 43.438 42.059 0.034 0.000 1.259 63 L HN 1.246 nan 8.230 nan 0.000 0.403 64 G N 4.382 113.175 108.800 -0.012 0.000 2.601 64 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.261 64 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.261 64 G C -0.147 174.641 174.900 -0.187 0.000 1.289 64 G CA 0.192 45.202 45.100 -0.150 0.000 0.920 64 G HN 0.756 nan 8.290 nan 0.000 0.571 65 R N 0.941 121.196 120.500 -0.408 0.000 2.629 65 R HA 0.325 4.661 4.340 -0.007 0.000 0.277 65 R C -1.765 174.382 176.300 -0.255 0.000 1.637 65 R CA -1.061 54.903 56.100 -0.227 0.000 1.663 65 R CB 1.817 32.062 30.300 -0.092 0.000 1.228 65 R HN 0.395 nan 8.270 nan 0.000 0.632 66 P HA -0.054 nan 4.420 nan 0.000 0.233 66 P C -0.569 176.739 177.300 0.013 0.000 1.167 66 P CA 0.521 63.608 63.100 -0.022 0.000 0.770 66 P CB 0.306 32.126 31.700 0.200 0.000 0.837 67 D N -0.666 119.720 120.400 -0.023 0.000 2.772 67 D HA -0.138 4.497 4.640 -0.007 0.000 0.233 67 D C 1.057 177.337 176.300 -0.034 0.000 1.143 67 D CA 1.643 55.621 54.000 -0.036 0.000 0.700 67 D CB -1.966 38.818 40.800 -0.027 0.000 1.076 67 D HN 0.418 nan 8.370 nan 0.000 0.430 68 G N -1.969 106.823 108.800 -0.015 0.000 2.149 68 G HA2 -0.182 3.774 3.960 -0.007 0.000 0.235 68 G HA3 -0.182 3.774 3.960 -0.007 0.000 0.235 68 G C 0.125 174.992 174.900 -0.054 0.000 1.018 68 G CA 0.195 45.275 45.100 -0.034 0.000 0.728 68 G HN 0.646 nan 8.290 nan 0.000 0.508 69 V N 0.323 120.205 119.914 -0.054 0.000 2.789 69 V HA 0.588 4.704 4.120 -0.007 0.000 0.311 69 V C -2.216 173.716 176.094 -0.269 0.000 1.073 69 V CA -1.883 60.341 62.300 -0.126 0.000 0.921 69 V CB 2.619 34.385 31.823 -0.095 0.000 1.009 69 V HN 0.064 nan 8.190 nan 0.000 0.426 70 P HA 0.337 nan 4.420 nan 0.000 0.271 70 P C -0.479 176.323 177.300 -0.830 0.000 1.226 70 P CA 0.215 62.791 63.100 -0.873 0.000 0.765 70 P CB 0.248 31.682 31.700 -0.444 0.000 0.835 71 M N 5.657 124.468 119.600 -1.316 0.000 2.952 71 M HA 0.195 4.671 4.480 -0.007 0.000 0.259 71 M C -1.772 174.408 176.300 -0.200 0.000 1.306 71 M CA -1.486 53.537 55.300 -0.461 0.000 0.626 71 M CB 1.980 34.553 32.600 -0.046 0.000 1.423 71 M HN 0.177 nan 8.290 nan 0.000 0.459 72 P HA -0.129 nan 4.420 nan 0.000 0.218 72 P C 0.372 177.747 177.300 0.125 0.000 1.149 72 P CA 1.410 64.611 63.100 0.169 0.000 0.817 72 P CB 0.251 32.026 31.700 0.125 0.000 0.785 73 D N -0.701 119.717 120.400 0.031 0.000 2.317 73 D HA -0.041 4.595 4.640 -0.007 0.000 0.211 73 D C 1.908 178.186 176.300 -0.036 0.000 0.966 73 D CA 0.920 54.921 54.000 0.001 0.000 0.876 73 D CB 0.057 40.843 40.800 -0.023 0.000 0.927 73 D HN 0.285 nan 8.370 nan 0.000 0.519 74 K N -1.059 119.304 120.400 -0.060 0.000 2.344 74 K HA 0.051 4.367 4.320 -0.007 0.000 0.200 74 K C 0.157 176.580 176.600 -0.296 0.000 1.132 74 K CA 0.182 56.319 56.287 -0.249 0.000 0.935 74 K CB 0.613 32.854 32.500 -0.432 0.000 1.089 74 K HN -0.042 nan 8.250 nan 0.000 0.496 75 Y N 0.389 120.807 120.300 0.196 0.000 2.698 75 Y HA 0.346 4.892 4.550 -0.007 0.000 0.261 75 Y C -0.148 175.911 175.900 0.266 0.000 1.104 75 Y CA -0.643 57.600 58.100 0.238 0.000 1.145 75 Y CB 0.937 39.580 38.460 0.305 0.000 1.191 75 Y HN -0.125 nan 8.280 nan 0.000 0.564 76 S N 0.334 116.233 115.700 0.332 0.000 2.576 76 S HA 0.226 4.692 4.470 -0.007 0.000 0.276 76 S C 0.994 175.645 174.600 0.086 0.000 1.339 76 S CA -0.264 58.080 58.200 0.241 0.000 1.039 76 S CB 0.576 63.893 63.200 0.196 0.000 0.902 76 S HN 0.562 nan 8.310 nan 0.000 0.516 77 L N 3.618 124.885 121.223 0.074 0.000 2.592 77 L HA 0.150 4.486 4.340 -0.007 0.000 0.227 77 L C 2.440 179.097 176.870 -0.356 0.000 1.127 77 L CA 0.092 54.934 54.840 0.004 0.000 0.884 77 L CB -0.266 41.913 42.059 0.200 0.000 1.065 77 L HN 0.764 nan 8.230 nan 0.000 0.457 78 E N 1.577 121.296 120.200 -0.802 0.000 2.108 78 E HA -0.250 4.096 4.350 -0.007 0.000 0.203 78 E C -0.618 175.693 176.600 -0.482 0.000 1.022 78 E CA 1.938 57.672 56.400 -1.111 0.000 0.823 78 E CB -0.795 28.492 29.700 -0.689 0.000 0.744 78 E HN 0.329 nan 8.360 nan 0.000 0.456 79 P HA -0.087 nan 4.420 nan 0.000 0.218 79 P C 1.713 178.920 177.300 -0.155 0.000 1.149 79 P CA 0.842 63.842 63.100 -0.166 0.000 0.817 79 P CB 0.007 31.639 31.700 -0.113 0.000 0.785 80 V N 0.203 120.021 119.914 -0.160 0.000 2.407 80 V HA -0.251 3.865 4.120 -0.007 0.000 0.248 80 V C 2.447 178.460 176.094 -0.135 0.000 1.055 80 V CA 2.143 64.344 62.300 -0.165 0.000 1.049 80 V CB -1.693 30.042 31.823 -0.146 0.000 0.662 80 V HN 0.107 nan 8.190 nan 0.000 0.455 81 A N -0.182 122.584 122.820 -0.091 0.000 1.902 81 A HA -0.159 4.157 4.320 -0.007 0.000 0.217 81 A C 2.401 179.967 177.584 -0.029 0.000 1.181 81 A CA 2.080 54.117 52.037 -0.000 0.000 0.623 81 A CB -0.650 18.376 19.000 0.044 0.000 0.818 81 A HN 0.339 nan 8.150 nan 0.000 0.443 82 V N -0.021 119.850 119.914 -0.072 0.000 2.295 82 V HA -0.242 3.874 4.120 -0.007 0.000 0.246 82 V C 2.602 178.663 176.094 -0.055 0.000 1.049 82 V CA 2.443 64.711 62.300 -0.054 0.000 1.024 82 V CB -0.683 31.099 31.823 -0.067 0.000 0.648 82 V HN 0.748 nan 8.190 nan 0.000 0.447 83 E N 0.216 120.366 120.200 -0.084 0.000 2.110 83 E HA -0.222 4.124 4.350 -0.007 0.000 0.193 83 E C 1.930 178.475 176.600 -0.092 0.000 0.988 83 E CA 1.208 57.553 56.400 -0.092 0.000 0.804 83 E CB -0.384 29.244 29.700 -0.120 0.000 0.745 83 E HN 0.401 nan 8.360 nan 0.000 0.458 84 L N 1.228 122.388 121.223 -0.105 0.000 2.083 84 L HA -0.116 4.220 4.340 -0.007 0.000 0.209 84 L C 2.241 179.102 176.870 -0.015 0.000 1.083 84 L CA 2.098 56.895 54.840 -0.070 0.000 0.752 84 L CB -0.638 41.399 42.059 -0.037 0.000 0.899 84 L HN 0.142 nan 8.230 nan 0.000 0.433 85 K N -1.329 119.068 120.400 -0.006 0.000 2.057 85 K HA -0.203 4.113 4.320 -0.007 0.000 0.207 85 K C 2.304 178.905 176.600 0.001 0.000 1.049 85 K CA 1.647 57.939 56.287 0.008 0.000 0.931 85 K CB -0.315 32.192 32.500 0.011 0.000 0.714 85 K HN 0.402 nan 8.250 nan 0.000 0.440 86 S N 0.656 116.349 115.700 -0.013 0.000 2.368 86 S HA -0.088 4.378 4.470 -0.007 0.000 0.225 86 S C 1.994 176.589 174.600 -0.008 0.000 1.030 86 S CA 1.074 59.267 58.200 -0.012 0.000 0.999 86 S CB -0.270 62.917 63.200 -0.021 0.000 0.844 86 S HN 0.390 nan 8.310 nan 0.000 0.459 87 L N 0.762 121.976 121.223 -0.014 0.000 2.083 87 L HA -0.010 4.326 4.340 -0.007 0.000 0.209 87 L C 2.306 179.183 176.870 0.013 0.000 1.083 87 L CA 1.013 55.850 54.840 -0.005 0.000 0.752 87 L CB -0.396 41.653 42.059 -0.017 0.000 0.899 87 L HN 0.339 nan 8.230 nan 0.000 0.433 88 L N -0.682 120.552 121.223 0.019 0.000 2.375 88 L HA 0.125 4.461 4.340 -0.007 0.000 0.215 88 L C 1.484 178.369 176.870 0.025 0.000 1.108 88 L CA 0.512 55.371 54.840 0.030 0.000 0.830 88 L CB -0.581 41.501 42.059 0.039 0.000 0.959 88 L HN 0.465 nan 8.230 nan 0.000 0.457 89 G N 1.626 110.436 108.800 0.017 0.000 2.283 89 G HA2 -0.333 3.623 3.960 -0.007 0.000 0.280 89 G HA3 -0.333 3.623 3.960 -0.007 0.000 0.280 89 G C 0.089 174.999 174.900 0.018 0.000 1.029 89 G CA 0.787 45.896 45.100 0.015 0.000 0.840 89 G HN 0.416 nan 8.290 nan 0.000 0.505 90 K N -0.403 120.010 120.400 0.021 0.000 2.508 90 K HA 0.430 4.746 4.320 -0.007 0.000 0.260 90 K C -0.884 175.732 176.600 0.027 0.000 0.949 90 K CA -1.044 55.257 56.287 0.024 0.000 0.834 90 K CB 1.310 33.826 32.500 0.027 0.000 1.365 90 K HN -0.044 nan 8.250 nan 0.000 0.437 91 D N 1.287 121.703 120.400 0.027 0.000 2.423 91 D HA 0.130 4.766 4.640 -0.007 0.000 0.238 91 D C -0.736 175.591 176.300 0.044 0.000 1.142 91 D CA 0.218 54.238 54.000 0.032 0.000 0.884 91 D CB 1.149 41.967 40.800 0.030 0.000 1.199 91 D HN 0.136 nan 8.370 nan 0.000 0.438 92 V N 2.852 122.800 119.914 0.055 0.000 2.577 92 V HA 0.192 4.308 4.120 -0.007 0.000 0.303 92 V C -0.383 175.770 176.094 0.099 0.000 1.042 92 V CA -0.956 61.391 62.300 0.078 0.000 0.872 92 V CB 1.893 33.770 31.823 0.091 0.000 0.998 92 V HN 0.308 nan 8.190 nan 0.000 0.423 93 L N 5.665 126.945 121.223 0.095 0.000 2.260 93 L HA 0.573 4.909 4.340 -0.007 0.000 0.289 93 L C -0.811 176.145 176.870 0.143 0.000 1.057 93 L CA 0.135 55.035 54.840 0.100 0.000 0.811 93 L CB 0.680 42.772 42.059 0.054 0.000 1.184 93 L HN 0.553 nan 8.230 nan 0.000 0.429 94 F N 6.135 126.106 119.950 0.035 0.000 2.411 94 F HA 0.513 5.036 4.527 -0.007 0.000 0.355 94 F C -0.737 175.088 175.800 0.041 0.000 1.117 94 F CA -0.614 57.410 58.000 0.041 0.000 1.139 94 F CB 0.612 39.637 39.000 0.042 0.000 1.120 94 F HN 0.367 nan 8.300 nan 0.000 0.493 95 L N 6.708 127.533 121.223 -0.664 0.000 2.343 95 L HA 0.371 4.707 4.340 -0.007 0.000 0.275 95 L C 0.977 177.425 176.870 -0.703 0.000 1.056 95 L CA -1.012 53.537 54.840 -0.485 0.000 0.804 95 L CB 1.202 43.101 42.059 -0.267 0.000 1.203 95 L HN 0.487 nan 8.230 nan 0.000 0.440 96 K N 0.721 120.958 120.400 -0.273 0.000 2.458 96 K HA 0.179 4.495 4.320 -0.007 0.000 0.194 96 K C -0.369 176.236 176.600 0.009 0.000 1.024 96 K CA 0.307 56.543 56.287 -0.085 0.000 1.108 96 K CB -0.191 32.350 32.500 0.069 0.000 0.846 96 K HN 0.523 nan 8.250 nan 0.000 0.518 97 D N -1.577 118.797 120.400 -0.043 0.000 2.643 97 D HA 0.108 4.744 4.640 -0.007 0.000 0.283 97 D C 0.016 176.318 176.300 0.003 0.000 1.242 97 D CA -0.484 53.564 54.000 0.080 0.000 0.863 97 D CB 1.392 42.269 40.800 0.127 0.000 1.382 97 D HN 0.030 nan 8.370 nan 0.000 0.444 98 C N -0.103 119.232 119.300 0.059 0.000 3.403 98 C HA 0.657 5.113 4.460 -0.007 0.000 0.317 98 C C 0.486 175.393 174.990 -0.139 0.000 1.346 98 C CA 0.084 59.077 59.018 -0.041 0.000 1.743 98 C CB -0.935 26.805 27.740 -0.001 0.000 2.308 98 C HN 0.367 nan 8.230 nan 0.000 0.675 99 V N -2.069 117.773 119.914 -0.119 0.000 3.181 99 V HA 1.021 5.137 4.120 -0.007 0.000 0.308 99 V C -0.045 176.014 176.094 -0.058 0.000 1.214 99 V CA 0.087 62.285 62.300 -0.169 0.000 1.053 99 V CB 0.771 32.412 31.823 -0.303 0.000 1.069 99 V HN 1.779 nan 8.190 nan 0.000 0.441 100 G N 1.270 110.036 108.800 -0.056 0.000 2.479 100 G HA2 0.096 4.052 3.960 -0.007 0.000 0.686 100 G HA3 0.096 4.052 3.960 -0.007 0.000 0.686 100 G C -2.590 172.300 174.900 -0.016 0.000 1.295 100 G CA -0.025 45.070 45.100 -0.009 0.000 0.922 100 G HN 0.719 nan 8.290 nan 0.000 0.582 101 P HA 0.039 nan 4.420 nan 0.000 0.216 101 P C 1.582 178.877 177.300 -0.009 0.000 1.153 101 P CA 1.765 64.860 63.100 -0.007 0.000 0.848 101 P CB 0.089 31.790 31.700 0.001 0.000 0.787 102 E N -0.668 119.531 120.200 -0.003 0.000 2.072 102 E HA -0.107 4.239 4.350 -0.007 0.000 0.191 102 E C 1.994 178.583 176.600 -0.017 0.000 0.985 102 E CA 0.965 57.362 56.400 -0.006 0.000 0.801 102 E CB -0.686 29.015 29.700 0.002 0.000 0.750 102 E HN 0.001 nan 8.360 nan 0.000 0.452 103 V N 1.627 121.527 119.914 -0.024 0.000 2.343 103 V HA -0.270 3.846 4.120 -0.007 0.000 0.247 103 V C 2.063 178.130 176.094 -0.044 0.000 1.051 103 V CA 1.922 64.197 62.300 -0.042 0.000 1.036 103 V CB -0.448 31.342 31.823 -0.055 0.000 0.654 103 V HN 0.247 nan 8.190 nan 0.000 0.451 104 E N -0.117 120.057 120.200 -0.043 0.000 2.085 104 E HA -0.301 4.045 4.350 -0.007 0.000 0.194 104 E C 2.255 178.837 176.600 -0.030 0.000 0.994 104 E CA 1.587 57.962 56.400 -0.042 0.000 0.801 104 E CB -0.160 29.515 29.700 -0.041 0.000 0.743 104 E HN 0.526 nan 8.360 nan 0.000 0.453 105 K N 0.785 121.171 120.400 -0.023 0.000 2.057 105 K HA -0.119 4.197 4.320 -0.007 0.000 0.207 105 K C 2.051 178.641 176.600 -0.016 0.000 1.049 105 K CA 1.210 57.487 56.287 -0.016 0.000 0.931 105 K CB -0.102 32.391 32.500 -0.011 0.000 0.714 105 K HN 0.085 nan 8.250 nan 0.000 0.440 106 A N 0.053 122.861 122.820 -0.019 0.000 2.019 106 A HA -0.138 4.178 4.320 -0.007 0.000 0.219 106 A C 2.038 179.611 177.584 -0.019 0.000 1.164 106 A CA 1.562 53.589 52.037 -0.018 0.000 0.644 106 A CB -0.565 18.422 19.000 -0.023 0.000 0.805 106 A HN 0.553 nan 8.150 nan 0.000 0.449 107 C N -1.542 117.743 119.300 -0.025 0.000 2.926 107 C HA 0.483 4.939 4.460 -0.007 0.000 0.272 107 C C 2.913 177.891 174.990 -0.020 0.000 1.249 107 C CA -0.312 58.692 59.018 -0.024 0.000 1.691 107 C CB -0.889 26.830 27.740 -0.034 0.000 1.983 107 C HN 0.706 nan 8.230 nan 0.000 0.615 108 A N 1.390 124.199 122.820 -0.019 0.000 1.902 108 A HA -0.129 4.187 4.320 -0.007 0.000 0.217 108 A C 1.161 178.738 177.584 -0.012 0.000 1.181 108 A CA 2.088 54.115 52.037 -0.017 0.000 0.623 108 A CB -0.246 18.745 19.000 -0.015 0.000 0.818 108 A HN 0.572 nan 8.150 nan 0.000 0.443 109 N N -0.998 117.696 118.700 -0.010 0.000 2.732 109 N HA 0.299 5.035 4.740 -0.007 0.000 0.230 109 N C -3.264 172.243 175.510 -0.005 0.000 1.487 109 N CA -1.067 51.979 53.050 -0.007 0.000 0.765 109 N CB 0.457 38.940 38.487 -0.006 0.000 1.384 109 N HN 0.010 nan 8.380 nan 0.000 0.530 110 P HA 0.376 nan 4.420 nan 0.000 0.274 110 P C -0.493 176.806 177.300 -0.000 0.000 1.256 110 P CA -0.553 62.546 63.100 -0.002 0.000 0.795 110 P CB 0.566 32.265 31.700 -0.001 0.000 1.038 111 A N 0.945 123.766 122.820 0.002 0.000 2.483 111 A HA 0.446 4.762 4.320 -0.007 0.000 0.238 111 A C 0.478 178.063 177.584 0.002 0.000 1.070 111 A CA 0.033 52.071 52.037 0.002 0.000 0.770 111 A CB -0.651 18.351 19.000 0.004 0.000 1.008 111 A HN 0.623 nan 8.150 nan 0.000 0.497 112 A N 0.957 123.777 122.820 0.000 0.000 2.511 112 A HA 0.490 4.806 4.320 -0.007 0.000 0.242 112 A C 1.601 179.185 177.584 0.000 0.000 1.069 112 A CA 0.743 52.779 52.037 -0.002 0.000 0.763 112 A CB -0.682 18.315 19.000 -0.004 0.000 1.001 112 A HN 2.768 nan 8.150 nan 0.000 0.498 113 G N 1.612 110.412 108.800 -0.000 0.000 2.176 113 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.253 113 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.253 113 G C 0.502 175.407 174.900 0.010 0.000 0.979 113 G CA 0.357 45.458 45.100 0.003 0.000 0.641 113 G HN 1.177 nan 8.290 nan 0.000 0.530 114 S N -0.310 115.396 115.700 0.010 0.000 2.549 114 S HA 0.465 4.931 4.470 -0.007 0.000 0.283 114 S C 0.473 175.086 174.600 0.021 0.000 1.320 114 S CA 0.050 58.260 58.200 0.016 0.000 1.058 114 S CB 1.866 65.073 63.200 0.012 0.000 0.882 114 S HN 0.734 nan 8.310 nan 0.000 0.498 115 V N 5.153 125.087 119.914 0.032 0.000 2.448 115 V HA 0.524 4.640 4.120 -0.007 0.000 0.295 115 V C -0.233 175.892 176.094 0.052 0.000 1.025 115 V CA -0.505 61.822 62.300 0.044 0.000 0.859 115 V CB 1.233 33.091 31.823 0.058 0.000 0.988 115 V HN 0.734 nan 8.190 nan 0.000 0.431 116 I N 5.369 125.968 120.570 0.049 0.000 2.498 116 I HA 0.474 4.640 4.170 -0.007 0.000 0.290 116 I C -1.171 174.983 176.117 0.063 0.000 1.032 116 I CA -0.740 60.587 61.300 0.045 0.000 1.073 116 I CB 2.157 40.162 38.000 0.009 0.000 1.251 116 I HN 0.413 nan 8.210 nan 0.000 0.426 117 L N 7.586 128.869 121.223 0.101 0.000 2.325 117 L HA 0.587 4.923 4.340 -0.007 0.000 0.281 117 L C -0.846 176.026 176.870 0.004 0.000 1.004 117 L CA -0.202 54.725 54.840 0.145 0.000 0.823 117 L CB 1.257 43.512 42.059 0.326 0.000 1.236 117 L HN 0.424 nan 8.230 nan 0.000 0.415 118 L N 2.416 123.615 121.223 -0.042 0.000 2.439 118 L HA 0.440 4.776 4.340 -0.007 0.000 0.261 118 L C 0.514 177.311 176.870 -0.122 0.000 1.153 118 L CA -0.693 54.053 54.840 -0.156 0.000 0.808 118 L CB 0.533 42.538 42.059 -0.090 0.000 1.126 118 L HN 0.601 nan 8.230 nan 0.000 0.460 119 E N 1.331 121.403 120.200 -0.213 0.000 2.391 119 E HA -0.021 4.325 4.350 -0.007 0.000 0.255 119 E C -0.114 176.436 176.600 -0.083 0.000 1.187 119 E CA -0.325 56.055 56.400 -0.033 0.000 0.941 119 E CB 0.411 30.118 29.700 0.011 0.000 1.010 119 E HN 0.427 nan 8.360 nan 0.000 0.458 120 N N 2.189 120.705 118.700 -0.306 0.000 2.365 120 N HA -0.101 4.635 4.740 -0.007 0.000 0.265 120 N C 0.717 176.077 175.510 -0.250 0.000 1.288 120 N CA 0.433 53.232 53.050 -0.418 0.000 0.869 120 N CB 0.234 38.077 38.487 -1.073 0.000 1.071 120 N HN 0.546 nan 8.380 nan 0.000 0.480 121 L N 3.808 125.033 121.223 0.004 0.000 2.131 121 L HA -0.105 4.231 4.340 -0.007 0.000 0.210 121 L C 2.018 179.003 176.870 0.192 0.000 1.092 121 L CA 1.078 56.025 54.840 0.178 0.000 0.759 121 L CB -0.138 42.048 42.059 0.211 0.000 0.903 121 L HN 0.497 nan 8.230 nan 0.000 0.435 122 R N -0.879 119.681 120.500 0.101 0.000 2.323 122 R HA -0.024 4.312 4.340 -0.007 0.000 0.198 122 R C 1.493 177.945 176.300 0.254 0.000 0.988 122 R CA 0.157 56.317 56.100 0.101 0.000 1.041 122 R CB -0.046 30.283 30.300 0.048 0.000 0.926 122 R HN 0.201 nan 8.270 nan 0.000 0.476 123 F N -0.016 119.972 119.950 0.063 0.000 2.546 123 F HA -0.005 4.518 4.527 -0.006 0.000 0.298 123 F C 0.411 176.094 175.800 -0.195 0.000 1.120 123 F CA 0.468 58.450 58.000 -0.029 0.000 1.456 123 F CB -0.475 38.527 39.000 0.003 0.000 1.088 123 F HN 0.001 nan 8.300 nan 0.000 0.572 124 H N -2.073 117.063 119.070 0.110 0.000 2.547 124 H HA 0.272 4.824 4.556 -0.007 0.000 0.342 124 H C 0.817 176.005 175.328 -0.233 0.000 1.048 124 H CA -0.372 55.629 56.048 -0.078 0.000 1.204 124 H CB 2.372 32.030 29.762 -0.173 0.000 1.493 124 H HN -0.212 nan 8.280 nan 0.000 0.511 125 V N 3.137 122.986 119.914 -0.108 0.000 2.720 125 V HA -0.198 3.918 4.120 -0.007 0.000 0.256 125 V C 1.152 177.092 176.094 -0.256 0.000 1.082 125 V CA 1.962 64.171 62.300 -0.153 0.000 1.101 125 V CB -0.151 31.607 31.823 -0.108 0.000 0.693 125 V HN 0.757 nan 8.190 nan 0.000 0.479 126 E N 0.041 119.999 120.200 -0.403 0.000 2.268 126 E HA -0.191 4.155 4.350 -0.007 0.000 0.195 126 E C 1.943 178.198 176.600 -0.575 0.000 0.995 126 E CA 1.132 57.215 56.400 -0.528 0.000 0.836 126 E CB -0.147 29.154 29.700 -0.666 0.000 0.763 126 E HN 0.778 nan 8.360 nan 0.000 0.491 127 E N 1.438 121.253 120.200 -0.641 0.000 2.015 127 E HA -0.183 4.163 4.350 -0.007 0.000 0.191 127 E C 1.473 177.884 176.600 -0.314 0.000 0.991 127 E CA 1.599 57.820 56.400 -0.300 0.000 0.802 127 E CB -0.055 29.569 29.700 -0.127 0.000 0.759 127 E HN 0.311 nan 8.360 nan 0.000 0.447 128 E N -1.097 118.823 120.200 -0.466 0.000 2.274 128 E HA 0.037 4.383 4.350 -0.007 0.000 0.194 128 E C 1.191 177.600 176.600 -0.319 0.000 0.996 128 E CA 0.537 56.544 56.400 -0.656 0.000 0.840 128 E CB -0.008 29.337 29.700 -0.592 0.000 0.772 128 E HN 0.513 nan 8.360 nan 0.000 0.491 129 G N 1.961 110.623 108.800 -0.230 0.000 2.199 129 G HA2 -0.327 3.629 3.960 -0.007 0.000 0.254 129 G HA3 -0.327 3.629 3.960 -0.007 0.000 0.254 129 G C 0.220 175.049 174.900 -0.117 0.000 0.982 129 G CA 0.894 45.908 45.100 -0.143 0.000 0.632 129 G HN 0.372 nan 8.290 nan 0.000 0.529 130 K N -1.443 118.876 120.400 -0.135 0.000 2.579 130 K HA 0.786 5.102 4.320 -0.007 0.000 0.284 130 K C 0.044 176.580 176.600 -0.107 0.000 0.990 130 K CA -0.436 55.791 56.287 -0.100 0.000 0.880 130 K CB 1.556 34.011 32.500 -0.075 0.000 1.488 130 K HN 1.386 nan 8.250 nan 0.000 0.425 131 G N 0.625 109.378 108.800 -0.078 0.000 2.450 131 G HA2 0.380 4.335 3.960 -0.007 0.000 0.273 131 G HA3 0.380 4.335 3.960 -0.007 0.000 0.273 131 G C -1.846 173.025 174.900 -0.048 0.000 1.221 131 G CA -0.929 44.130 45.100 -0.068 0.000 0.900 131 G HN 0.449 nan 8.290 nan 0.000 0.483 132 K N 0.715 121.091 120.400 -0.041 0.000 2.371 132 K HA 0.489 4.805 4.320 -0.007 0.000 0.251 132 K C -1.062 175.518 176.600 -0.033 0.000 0.934 132 K CA -0.837 55.431 56.287 -0.031 0.000 0.798 132 K CB 2.286 34.774 32.500 -0.021 0.000 1.204 132 K HN 0.725 nan 8.250 nan 0.000 0.427 133 D N 0.648 121.030 120.400 -0.030 0.000 2.433 133 D HA 0.121 4.757 4.640 -0.007 0.000 0.255 133 D C 0.719 177.002 176.300 -0.029 0.000 1.226 133 D CA -0.558 53.423 54.000 -0.032 0.000 1.015 133 D CB 0.519 41.301 40.800 -0.029 0.000 1.091 133 D HN 0.435 nan 8.370 nan 0.000 0.527 134 A N -0.466 122.335 122.820 -0.033 0.000 2.216 134 A HA -0.031 4.285 4.320 -0.007 0.000 0.214 134 A C 1.804 179.374 177.584 -0.023 0.000 1.160 134 A CA 0.851 52.869 52.037 -0.032 0.000 0.725 134 A CB -0.597 18.381 19.000 -0.037 0.000 0.784 134 A HN 0.413 nan 8.150 nan 0.000 0.472 135 S N -1.949 113.738 115.700 -0.020 0.000 2.535 135 S HA 0.379 4.845 4.470 -0.007 0.000 0.214 135 S C 1.380 175.973 174.600 -0.012 0.000 0.980 135 S CA 0.666 58.857 58.200 -0.015 0.000 0.907 135 S CB 0.352 63.543 63.200 -0.015 0.000 0.790 135 S HN 1.505 nan 8.310 nan 0.000 0.510 136 G N 2.007 110.800 108.800 -0.013 0.000 2.157 136 G HA2 -0.228 3.728 3.960 -0.007 0.000 0.239 136 G HA3 -0.228 3.728 3.960 -0.007 0.000 0.239 136 G C -0.300 174.593 174.900 -0.012 0.000 0.982 136 G CA -0.432 44.663 45.100 -0.010 0.000 0.650 136 G HN 0.537 nan 8.290 nan 0.000 0.527 137 N N 0.882 119.573 118.700 -0.015 0.000 2.514 137 N HA 0.437 5.173 4.740 -0.007 0.000 0.277 137 N C 0.240 175.739 175.510 -0.019 0.000 1.126 137 N CA -0.248 52.793 53.050 -0.016 0.000 0.978 137 N CB 0.702 39.179 38.487 -0.016 0.000 1.106 137 N HN 0.245 nan 8.380 nan 0.000 0.461 138 K N 1.285 121.674 120.400 -0.018 0.000 2.412 138 K HA 0.181 4.497 4.320 -0.007 0.000 0.281 138 K C -0.310 176.275 176.600 -0.026 0.000 1.027 138 K CA -0.183 56.091 56.287 -0.022 0.000 0.989 138 K CB 0.416 32.904 32.500 -0.020 0.000 0.935 138 K HN 0.347 nan 8.250 nan 0.000 0.475 139 V N -0.561 119.334 119.914 -0.032 0.000 3.078 139 V HA 0.544 4.660 4.120 -0.007 0.000 0.311 139 V C -0.970 175.099 176.094 -0.042 0.000 1.138 139 V CA -1.212 61.068 62.300 -0.034 0.000 1.007 139 V CB 2.124 33.926 31.823 -0.036 0.000 1.045 139 V HN 0.524 nan 8.190 nan 0.000 0.432 140 K N 1.842 122.219 120.400 -0.039 0.000 2.207 140 K HA 0.813 5.129 4.320 -0.007 0.000 0.255 140 K C 0.028 176.599 176.600 -0.048 0.000 0.941 140 K CA -0.227 56.033 56.287 -0.045 0.000 0.825 140 K CB 2.343 34.822 32.500 -0.036 0.000 1.119 140 K HN 1.154 nan 8.250 nan 0.000 0.430 141 A N 2.402 125.186 122.820 -0.061 0.000 2.366 141 A HA 0.163 4.479 4.320 -0.007 0.000 0.249 141 A C -0.179 177.379 177.584 -0.043 0.000 1.084 141 A CA -0.159 51.841 52.037 -0.062 0.000 0.794 141 A CB 0.148 19.093 19.000 -0.091 0.000 1.034 141 A HN 0.697 nan 8.150 nan 0.000 0.491 142 E N 1.397 121.577 120.200 -0.033 0.000 2.266 142 E HA 0.252 4.598 4.350 -0.007 0.000 0.277 142 E C -1.772 174.819 176.600 -0.016 0.000 1.018 142 E CA -1.776 54.611 56.400 -0.021 0.000 0.840 142 E CB 0.886 30.578 29.700 -0.013 0.000 1.082 142 E HN 0.389 nan 8.360 nan 0.000 0.395 143 P HA -0.213 nan 4.420 nan 0.000 0.215 143 P C 1.017 178.318 177.300 0.001 0.000 1.153 143 P CA 1.328 64.424 63.100 -0.007 0.000 0.853 143 P CB 0.137 31.834 31.700 -0.006 0.000 0.788 144 A N 0.186 123.007 122.820 0.002 0.000 1.933 144 A HA -0.204 4.112 4.320 -0.007 0.000 0.218 144 A C 2.151 179.745 177.584 0.017 0.000 1.175 144 A CA 1.758 53.800 52.037 0.008 0.000 0.628 144 A CB -1.027 17.977 19.000 0.006 0.000 0.814 144 A HN 0.156 nan 8.150 nan 0.000 0.444 145 K N -0.457 119.953 120.400 0.016 0.000 2.057 145 K HA -0.005 4.311 4.320 -0.007 0.000 0.206 145 K C 1.769 178.396 176.600 0.046 0.000 1.050 145 K CA 1.398 57.703 56.287 0.029 0.000 0.935 145 K CB -0.347 32.163 32.500 0.016 0.000 0.715 145 K HN 0.523 nan 8.250 nan 0.000 0.439 146 I N 1.132 121.714 120.570 0.020 0.000 2.226 146 I HA -0.283 3.883 4.170 -0.007 0.000 0.245 146 I C 2.519 178.689 176.117 0.087 0.000 1.100 146 I CA 1.287 62.607 61.300 0.034 0.000 1.374 146 I CB -0.218 37.780 38.000 -0.003 0.000 1.057 146 I HN 0.239 nan 8.210 nan 0.000 0.413 147 E N 1.097 121.326 120.200 0.048 0.000 2.070 147 E HA -0.274 4.072 4.350 -0.007 0.000 0.197 147 E C 2.241 178.864 176.600 0.038 0.000 1.004 147 E CA 1.657 58.077 56.400 0.034 0.000 0.805 147 E CB -0.082 29.627 29.700 0.015 0.000 0.744 147 E HN 0.495 nan 8.360 nan 0.000 0.451 148 A N 0.097 122.947 122.820 0.051 0.000 1.898 148 A HA -0.160 4.156 4.320 -0.007 0.000 0.216 148 A C 2.028 179.649 177.584 0.062 0.000 1.181 148 A CA 1.258 53.321 52.037 0.043 0.000 0.620 148 A CB -0.836 18.191 19.000 0.045 0.000 0.819 148 A HN 0.490 nan 8.150 nan 0.000 0.442 149 F N 0.832 120.747 119.950 -0.059 0.000 2.102 149 F HA -0.167 4.356 4.527 -0.007 0.000 0.298 149 F C 2.403 178.153 175.800 -0.084 0.000 1.105 149 F CA 1.937 59.883 58.000 -0.091 0.000 1.239 149 F CB -0.230 38.718 39.000 -0.088 0.000 0.991 149 F HN 0.123 nan 8.300 nan 0.000 0.474 150 R N 0.102 120.631 120.500 0.049 0.000 2.096 150 R HA -0.122 4.214 4.340 -0.007 0.000 0.235 150 R C 2.442 178.666 176.300 -0.127 0.000 1.127 150 R CA 1.205 57.264 56.100 -0.068 0.000 0.968 150 R CB -0.880 29.420 30.300 -0.001 0.000 0.861 150 R HN 0.386 nan 8.270 nan 0.000 0.440 151 A N 0.345 123.114 122.820 -0.085 0.000 1.902 151 A HA -0.181 4.135 4.320 -0.007 0.000 0.217 151 A C 2.210 179.725 177.584 -0.116 0.000 1.181 151 A CA 1.816 53.803 52.037 -0.083 0.000 0.623 151 A CB -0.582 18.388 19.000 -0.050 0.000 0.818 151 A HN 0.296 nan 8.150 nan 0.000 0.443 152 S N -0.446 115.162 115.700 -0.154 0.000 2.355 152 S HA -0.075 4.391 4.470 -0.007 0.000 0.222 152 S C 1.934 176.403 174.600 -0.220 0.000 1.031 152 S CA 1.354 59.447 58.200 -0.178 0.000 0.993 152 S CB -0.498 62.580 63.200 -0.204 0.000 0.859 152 S HN 0.487 nan 8.310 nan 0.000 0.453 153 L N 1.121 122.151 121.223 -0.322 0.000 2.083 153 L HA -0.074 4.262 4.340 -0.007 0.000 0.209 153 L C 2.625 179.399 176.870 -0.160 0.000 1.083 153 L CA 1.267 55.943 54.840 -0.273 0.000 0.752 153 L CB -0.656 41.200 42.059 -0.339 0.000 0.899 153 L HN 0.288 nan 8.230 nan 0.000 0.433 154 S N -0.454 115.157 115.700 -0.149 0.000 2.419 154 S HA -0.102 4.364 4.470 -0.007 0.000 0.233 154 S C 1.851 176.407 174.600 -0.073 0.000 1.016 154 S CA 0.886 59.021 58.200 -0.108 0.000 0.974 154 S CB -0.105 63.028 63.200 -0.110 0.000 0.786 154 S HN 0.324 nan 8.310 nan 0.000 0.492 155 K N 1.470 121.823 120.400 -0.078 0.000 2.283 155 K HA 0.119 4.435 4.320 -0.007 0.000 0.202 155 K C 1.572 178.143 176.600 -0.048 0.000 1.048 155 K CA 0.539 56.791 56.287 -0.058 0.000 0.948 155 K CB -0.448 32.015 32.500 -0.061 0.000 0.742 155 K HN 0.428 nan 8.250 nan 0.000 0.458 156 L N -0.053 121.136 121.223 -0.056 0.000 2.551 156 L HA 0.025 4.361 4.340 -0.007 0.000 0.228 156 L C 1.157 178.013 176.870 -0.024 0.000 1.153 156 L CA 0.123 54.936 54.840 -0.045 0.000 0.851 156 L CB -0.289 41.735 42.059 -0.059 0.000 0.959 156 L HN 0.055 nan 8.230 nan 0.000 0.451 157 G N -1.690 107.102 108.800 -0.013 0.000 2.690 157 G HA2 0.300 4.256 3.960 -0.007 0.000 0.291 157 G HA3 0.300 4.256 3.960 -0.007 0.000 0.291 157 G C -0.610 174.293 174.900 0.005 0.000 1.403 157 G CA -0.382 44.720 45.100 0.003 0.000 0.864 157 G HN -0.189 nan 8.290 nan 0.000 0.480 158 D N -1.099 119.306 120.400 0.009 0.000 2.240 158 D HA 0.052 4.688 4.640 -0.007 0.000 0.206 158 D C 1.376 177.689 176.300 0.023 0.000 0.963 158 D CA 1.341 55.347 54.000 0.010 0.000 0.863 158 D CB 0.811 41.615 40.800 0.007 0.000 0.973 158 D HN 0.440 nan 8.370 nan 0.000 0.501 159 V N -2.109 117.827 119.914 0.036 0.000 3.040 159 V HA 0.598 4.714 4.120 -0.007 0.000 0.312 159 V C -1.335 174.820 176.094 0.102 0.000 1.115 159 V CA -1.154 61.181 62.300 0.059 0.000 0.998 159 V CB 2.341 34.188 31.823 0.041 0.000 1.042 159 V HN -0.002 nan 8.190 nan 0.000 0.433 160 Y N 1.832 122.116 120.300 -0.026 0.000 2.364 160 Y HA 0.829 5.375 4.550 -0.007 0.000 0.340 160 Y C -0.892 174.987 175.900 -0.036 0.000 0.975 160 Y CA -0.866 57.213 58.100 -0.034 0.000 1.089 160 Y CB 2.063 40.503 38.460 -0.033 0.000 1.192 160 Y HN 0.687 nan 8.280 nan 0.000 0.454 161 V N 6.131 125.718 119.914 -0.546 0.000 2.604 161 V HA 0.364 4.480 4.120 -0.007 0.000 0.305 161 V C -0.901 174.688 176.094 -0.842 0.000 1.043 161 V CA -1.061 60.923 62.300 -0.526 0.000 0.888 161 V CB 1.828 33.469 31.823 -0.303 0.000 0.995 161 V HN 0.790 nan 8.190 nan 0.000 0.429 162 N N 2.596 120.943 118.700 -0.588 0.000 2.476 162 N HA 0.310 5.046 4.740 -0.007 0.000 0.257 162 N C -0.448 174.963 175.510 -0.164 0.000 0.970 162 N CA -0.169 52.656 53.050 -0.375 0.000 0.938 162 N CB 1.765 40.159 38.487 -0.155 0.000 1.144 162 N HN 0.691 nan 8.380 nan 0.000 0.500 163 D N 1.808 122.125 120.400 -0.139 0.000 2.440 163 D HA 0.254 4.890 4.640 -0.007 0.000 0.216 163 D C 0.027 176.345 176.300 0.031 0.000 1.150 163 D CA -0.040 53.931 54.000 -0.047 0.000 0.832 163 D CB 0.356 41.115 40.800 -0.069 0.000 0.992 163 D HN 0.545 nan 8.370 nan 0.000 0.502 164 A N 0.606 123.436 122.820 0.017 0.000 3.091 164 A HA 0.137 4.453 4.320 -0.007 0.000 0.264 164 A C 0.996 178.648 177.584 0.113 0.000 1.673 164 A CA -0.472 51.596 52.037 0.052 0.000 1.362 164 A CB -1.241 17.768 19.000 0.015 0.000 1.137 164 A HN 0.272 nan 8.150 nan 0.000 0.617 165 F N 1.471 121.455 119.950 0.057 0.000 2.161 165 F HA -0.095 4.429 4.527 -0.006 0.000 0.300 165 F C 2.012 177.868 175.800 0.093 0.000 1.089 165 F CA 2.082 60.129 58.000 0.078 0.000 1.282 165 F CB -0.322 38.740 39.000 0.104 0.000 1.010 165 F HN 0.411 nan 8.300 nan 0.000 0.485 166 G N -1.397 107.436 108.800 0.055 0.000 2.462 166 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.220 166 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.220 166 G C 1.376 176.301 174.900 0.042 0.000 1.121 166 G CA 1.387 46.494 45.100 0.012 0.000 0.758 166 G HN 0.416 nan 8.290 nan 0.000 0.559 167 T N 0.498 115.076 114.554 0.039 0.000 3.054 167 T HA 0.447 4.792 4.350 -0.007 0.000 0.255 167 T C 2.372 177.026 174.700 -0.077 0.000 1.035 167 T CA 0.414 62.522 62.100 0.013 0.000 0.941 167 T CB 0.569 69.470 68.868 0.056 0.000 1.026 167 T HN 0.309 nan 8.240 nan 0.000 0.533 168 A N 2.364 125.144 122.820 -0.066 0.000 2.019 168 A HA -0.172 4.144 4.320 -0.007 0.000 0.219 168 A C 2.038 179.589 177.584 -0.055 0.000 1.164 168 A CA 1.394 53.378 52.037 -0.088 0.000 0.644 168 A CB -0.674 18.233 19.000 -0.154 0.000 0.805 168 A HN 0.741 nan 8.150 nan 0.000 0.449 169 H N -0.594 118.334 119.070 -0.236 0.000 2.546 169 H HA 0.090 4.642 4.556 -0.006 0.000 0.277 169 H C -0.128 175.072 175.328 -0.213 0.000 1.004 169 H CA 0.458 56.388 56.048 -0.196 0.000 1.231 169 H CB -0.303 29.347 29.762 -0.187 0.000 1.382 169 H HN 0.217 nan 8.280 nan 0.000 0.580 170 R N 1.346 121.512 120.500 -0.556 0.000 2.207 170 R HA 0.466 4.802 4.340 -0.007 0.000 0.334 170 R C -0.182 175.833 176.300 -0.474 0.000 1.013 170 R CA -0.053 55.609 56.100 -0.730 0.000 0.858 170 R CB 1.078 30.606 30.300 -1.288 0.000 1.094 170 R HN 0.271 nan 8.270 nan 0.000 0.457 171 A N 4.746 127.400 122.820 -0.276 0.000 3.135 171 A HA 0.147 4.463 4.320 -0.007 0.000 0.253 171 A C -0.148 177.469 177.584 0.056 0.000 1.638 171 A CA -0.289 51.697 52.037 -0.085 0.000 1.295 171 A CB -0.700 18.279 19.000 -0.036 0.000 1.106 171 A HN 0.707 nan 8.150 nan 0.000 0.648 172 H N -0.641 118.389 119.070 -0.066 0.000 2.495 172 H HA 0.216 4.768 4.556 -0.006 0.000 0.350 172 H C 1.149 176.479 175.328 0.002 0.000 1.202 172 H CA -0.578 55.441 56.048 -0.049 0.000 1.322 172 H CB 1.263 30.977 29.762 -0.081 0.000 1.544 172 H HN 0.422 nan 8.280 nan 0.000 0.565 173 S N 0.682 116.480 115.700 0.163 0.000 2.370 173 S HA -0.223 4.243 4.470 -0.007 0.000 0.226 173 S C 2.258 176.932 174.600 0.123 0.000 1.033 173 S CA 1.681 59.974 58.200 0.156 0.000 1.011 173 S CB -0.310 63.073 63.200 0.305 0.000 0.852 173 S HN 0.773 nan 8.310 nan 0.000 0.457 174 S N 0.663 116.463 115.700 0.166 0.000 2.474 174 S HA 0.059 4.525 4.470 -0.007 0.000 0.235 174 S C 1.629 176.310 174.600 0.135 0.000 0.997 174 S CA 0.746 59.019 58.200 0.121 0.000 0.949 174 S CB -0.235 63.054 63.200 0.148 0.000 0.766 174 S HN 0.286 nan 8.310 nan 0.000 0.517 175 M N 1.059 120.728 119.600 0.114 0.000 2.545 175 M HA 0.251 4.727 4.480 -0.007 0.000 0.264 175 M C 1.965 178.310 176.300 0.075 0.000 1.155 175 M CA 0.897 56.263 55.300 0.111 0.000 1.162 175 M CB -0.089 32.529 32.600 0.030 0.000 1.330 175 M HN 0.470 nan 8.290 nan 0.000 0.479 176 V N -4.599 115.326 119.914 0.020 0.000 3.548 176 V HA 0.499 4.615 4.120 -0.007 0.000 0.279 176 V C 1.351 177.403 176.094 -0.069 0.000 1.446 176 V CA 0.708 62.998 62.300 -0.017 0.000 1.023 176 V CB -0.258 31.562 31.823 -0.005 0.000 0.820 176 V HN 0.294 nan 8.190 nan 0.000 0.438 177 G N 0.503 109.256 108.800 -0.078 0.000 3.393 177 G HA2 0.357 4.313 3.960 -0.007 0.000 0.255 177 G HA3 0.357 4.313 3.960 -0.007 0.000 0.255 177 G C 0.239 175.045 174.900 -0.157 0.000 1.097 177 G CA 0.161 45.210 45.100 -0.085 0.000 0.780 177 G HN 0.324 nan 8.290 nan 0.000 0.540 178 V N 1.681 121.411 119.914 -0.306 0.000 2.488 178 V HA 0.194 4.310 4.120 -0.007 0.000 0.277 178 V C -0.211 175.694 176.094 -0.315 0.000 1.046 178 V CA -0.706 61.360 62.300 -0.390 0.000 0.986 178 V CB 1.218 32.575 31.823 -0.777 0.000 0.989 178 V HN 0.288 nan 8.190 nan 0.000 0.475 179 N N 6.297 124.880 118.700 -0.195 0.000 2.699 179 N HA 0.507 5.243 4.740 -0.007 0.000 0.232 179 N C -1.126 174.324 175.510 -0.100 0.000 1.027 179 N CA -0.115 52.858 53.050 -0.129 0.000 0.920 179 N CB 0.221 38.655 38.487 -0.088 0.000 1.148 179 N HN 0.630 nan 8.380 nan 0.000 0.509 180 L N 3.069 124.237 121.223 -0.092 0.000 2.350 180 L HA 0.568 4.904 4.340 -0.007 0.000 0.260 180 L C -1.402 175.457 176.870 -0.019 0.000 1.015 180 L CA -2.019 52.797 54.840 -0.040 0.000 0.821 180 L CB 2.260 44.313 42.059 -0.010 0.000 1.370 180 L HN 0.236 nan 8.230 nan 0.000 0.416 181 P HA -0.073 nan 4.420 nan 0.000 0.217 181 P C -0.481 176.829 177.300 0.016 0.000 1.150 181 P CA 1.186 64.287 63.100 0.003 0.000 0.832 181 P CB 0.305 32.007 31.700 0.005 0.000 0.787 182 Q N -0.044 119.775 119.800 0.032 0.000 2.333 182 Q HA 0.359 4.695 4.340 -0.007 0.000 0.268 182 Q C -0.587 175.468 176.000 0.093 0.000 1.007 182 Q CA -0.458 55.375 55.803 0.049 0.000 0.810 182 Q CB 1.874 30.637 28.738 0.042 0.000 1.264 182 Q HN 0.067 nan 8.270 nan 0.000 0.452 183 K N 1.518 121.983 120.400 0.109 0.000 2.507 183 K HA 0.643 4.959 4.320 -0.007 0.000 0.253 183 K C -1.165 175.518 176.600 0.139 0.000 0.969 183 K CA -0.432 55.987 56.287 0.220 0.000 0.908 183 K CB 1.719 34.348 32.500 0.215 0.000 1.127 183 K HN 0.502 nan 8.250 nan 0.000 0.437 184 A N 1.956 124.819 122.820 0.071 0.000 2.330 184 A HA 0.694 5.010 4.320 -0.007 0.000 0.327 184 A C 0.225 177.774 177.584 -0.059 0.000 1.155 184 A CA -0.699 51.335 52.037 -0.004 0.000 0.803 184 A CB 1.071 20.048 19.000 -0.038 0.000 1.208 184 A HN 0.725 nan 8.150 nan 0.000 0.477 185 G N 1.168 109.948 108.800 -0.034 0.000 2.378 185 G HA2 0.470 4.426 3.960 -0.007 0.000 0.255 185 G HA3 0.470 4.426 3.960 -0.007 0.000 0.255 185 G C 0.549 175.389 174.900 -0.101 0.000 1.270 185 G CA 0.375 45.449 45.100 -0.044 0.000 0.876 185 G HN 1.099 nan 8.290 nan 0.000 0.521 186 G N 0.400 109.121 108.800 -0.131 0.000 2.621 186 G HA2 0.360 4.316 3.960 -0.007 0.000 0.271 186 G HA3 0.360 4.316 3.960 -0.007 0.000 0.271 186 G C 0.656 175.511 174.900 -0.075 0.000 1.236 186 G CA -0.530 44.441 45.100 -0.214 0.000 0.958 186 G HN 0.376 nan 8.290 nan 0.000 0.512 187 F N -0.473 119.424 119.950 -0.088 0.000 2.171 187 F HA -0.018 4.505 4.527 -0.006 0.000 0.300 187 F C 2.453 178.234 175.800 -0.032 0.000 1.090 187 F CA 0.477 58.428 58.000 -0.082 0.000 1.293 187 F CB -0.820 38.125 39.000 -0.092 0.000 1.013 187 F HN 0.267 nan 8.300 nan 0.000 0.486 188 L N -0.348 120.975 121.223 0.166 0.000 2.056 188 L HA -0.161 4.175 4.340 -0.007 0.000 0.207 188 L C 2.333 179.257 176.870 0.090 0.000 1.078 188 L CA 1.546 56.462 54.840 0.127 0.000 0.749 188 L CB -0.833 41.306 42.059 0.135 0.000 0.901 188 L HN 0.150 nan 8.230 nan 0.000 0.433 189 M N -0.220 119.444 119.600 0.107 0.000 2.117 189 M HA -0.230 4.246 4.480 -0.007 0.000 0.262 189 M C 2.292 178.638 176.300 0.076 0.000 1.065 189 M CA 2.017 57.401 55.300 0.140 0.000 1.114 189 M CB -0.432 32.244 32.600 0.126 0.000 1.361 189 M HN 0.285 nan 8.290 nan 0.000 0.408 190 K N -0.279 120.158 120.400 0.062 0.000 2.025 190 K HA -0.234 4.082 4.320 -0.007 0.000 0.207 190 K C 2.187 178.773 176.600 -0.023 0.000 1.049 190 K CA 1.814 58.120 56.287 0.031 0.000 0.933 190 K CB -0.270 32.263 32.500 0.055 0.000 0.714 190 K HN 0.404 nan 8.250 nan 0.000 0.438 191 K N 0.488 120.877 120.400 -0.019 0.000 2.026 191 K HA -0.157 4.159 4.320 -0.007 0.000 0.208 191 K C 1.831 178.372 176.600 -0.097 0.000 1.048 191 K CA 1.566 57.816 56.287 -0.062 0.000 0.929 191 K CB 0.040 32.556 32.500 0.027 0.000 0.713 191 K HN 0.163 nan 8.250 nan 0.000 0.439 192 E N 0.886 121.003 120.200 -0.138 0.000 2.051 192 E HA -0.205 4.141 4.350 -0.007 0.000 0.192 192 E C 2.218 178.762 176.600 -0.092 0.000 0.991 192 E CA 1.231 57.459 56.400 -0.288 0.000 0.799 192 E CB -0.220 28.832 29.700 -1.080 0.000 0.748 192 E HN 0.364 nan 8.360 nan 0.000 0.449 193 L N 1.357 122.555 121.223 -0.042 0.000 2.046 193 L HA -0.206 4.130 4.340 -0.007 0.000 0.208 193 L C 2.104 179.009 176.870 0.058 0.000 1.077 193 L CA 0.970 55.877 54.840 0.111 0.000 0.747 193 L CB -0.396 41.732 42.059 0.116 0.000 0.896 193 L HN 0.071 nan 8.230 nan 0.000 0.432 194 N N -0.902 117.764 118.700 -0.058 0.000 2.166 194 N HA -0.192 4.544 4.740 -0.007 0.000 0.186 194 N C 1.735 177.106 175.510 -0.233 0.000 1.019 194 N CA 1.290 54.249 53.050 -0.152 0.000 0.856 194 N CB -0.429 37.930 38.487 -0.213 0.000 0.993 194 N HN 0.332 nan 8.380 nan 0.000 0.426 195 Y N -0.156 119.974 120.300 -0.283 0.000 2.145 195 Y HA -0.142 4.401 4.550 -0.010 0.000 0.286 195 Y C 1.918 177.619 175.900 -0.332 0.000 1.145 195 Y CA 1.142 58.997 58.100 -0.408 0.000 1.148 195 Y CB -0.349 37.648 38.460 -0.771 0.000 0.981 195 Y HN -0.045 nan 8.280 nan 0.000 0.507 196 F N -0.901 119.088 119.950 0.065 0.000 2.186 196 F HA -0.204 4.321 4.527 -0.004 0.000 0.299 196 F C 2.430 178.252 175.800 0.036 0.000 1.090 196 F CA 1.043 59.087 58.000 0.073 0.000 1.307 196 F CB -1.021 38.047 39.000 0.112 0.000 1.019 196 F HN -0.001 nan 8.300 nan 0.000 0.489 197 A N -0.197 122.723 122.820 0.166 0.000 1.902 197 A HA -0.206 4.110 4.320 -0.007 0.000 0.217 197 A C 2.357 179.952 177.584 0.018 0.000 1.181 197 A CA 1.633 53.720 52.037 0.084 0.000 0.623 197 A CB -0.642 18.385 19.000 0.044 0.000 0.818 197 A HN 0.216 nan 8.150 nan 0.000 0.443 198 K N -0.201 120.175 120.400 -0.040 0.000 2.057 198 K HA -0.103 4.213 4.320 -0.007 0.000 0.207 198 K C 2.220 178.745 176.600 -0.126 0.000 1.049 198 K CA 1.303 57.535 56.287 -0.091 0.000 0.931 198 K CB -0.375 32.041 32.500 -0.141 0.000 0.714 198 K HN 0.381 nan 8.250 nan 0.000 0.440 199 A N 1.381 124.127 122.820 -0.124 0.000 1.902 199 A HA -0.136 4.180 4.320 -0.007 0.000 0.217 199 A C 2.266 179.752 177.584 -0.162 0.000 1.181 199 A CA 1.270 53.156 52.037 -0.252 0.000 0.623 199 A CB -0.547 18.381 19.000 -0.120 0.000 0.818 199 A HN 0.288 nan 8.150 nan 0.000 0.443 200 L N -1.167 120.088 121.223 0.053 0.000 2.056 200 L HA -0.159 4.177 4.340 -0.007 0.000 0.207 200 L C 2.587 179.497 176.870 0.068 0.000 1.078 200 L CA 1.660 56.575 54.840 0.126 0.000 0.749 200 L CB -0.404 41.747 42.059 0.153 0.000 0.901 200 L HN 0.466 nan 8.230 nan 0.000 0.433 201 E N -0.736 119.476 120.200 0.020 0.000 2.127 201 E HA -0.020 4.326 4.350 -0.007 0.000 0.191 201 E C 0.823 177.413 176.600 -0.017 0.000 0.964 201 E CA 1.007 57.413 56.400 0.010 0.000 0.832 201 E CB 0.317 30.019 29.700 0.003 0.000 0.790 201 E HN 0.357 nan 8.360 nan 0.000 0.465 202 S N 0.710 116.376 115.700 -0.058 0.000 2.569 202 S HA 0.283 4.749 4.470 -0.007 0.000 0.215 202 S C -2.700 171.829 174.600 -0.119 0.000 1.096 202 S CA -1.244 56.916 58.200 -0.067 0.000 1.183 202 S CB 0.480 63.648 63.200 -0.054 0.000 1.324 202 S HN -0.096 nan 8.310 nan 0.000 0.421 203 P HA 0.259 nan 4.420 nan 0.000 0.272 203 P C -0.217 176.977 177.300 -0.177 0.000 1.223 203 P CA 0.099 63.015 63.100 -0.308 0.000 0.784 203 P CB 0.610 31.952 31.700 -0.596 0.000 0.923 204 E N 2.362 122.465 120.200 -0.162 0.000 2.398 204 E HA 0.141 4.487 4.350 -0.007 0.000 0.263 204 E C 0.290 176.865 176.600 -0.041 0.000 1.046 204 E CA 0.329 56.681 56.400 -0.080 0.000 0.908 204 E CB 0.621 30.284 29.700 -0.062 0.000 0.963 204 E HN 0.384 nan 8.360 nan 0.000 0.431 205 R N 2.130 122.631 120.500 0.003 0.000 2.750 205 R HA 0.419 4.755 4.340 -0.007 0.000 0.281 205 R C -2.398 173.926 176.300 0.040 0.000 0.972 205 R CA -1.941 54.190 56.100 0.051 0.000 0.912 205 R CB 1.502 31.836 30.300 0.057 0.000 1.187 205 R HN 0.243 nan 8.270 nan 0.000 0.464 206 P HA 0.017 nan 4.420 nan 0.000 0.271 206 P C -1.194 176.204 177.300 0.162 0.000 1.218 206 P CA -0.110 63.041 63.100 0.086 0.000 0.780 206 P CB 0.390 32.120 31.700 0.050 0.000 0.901 207 F N 4.636 124.582 119.950 -0.007 0.000 2.388 207 F HA 0.487 5.010 4.527 -0.007 0.000 0.358 207 F C -1.211 174.583 175.800 -0.010 0.000 1.122 207 F CA -1.832 56.166 58.000 -0.004 0.000 1.056 207 F CB 0.242 39.245 39.000 0.006 0.000 1.155 207 F HN 0.045 nan 8.300 nan 0.000 0.461 208 L N 6.412 127.690 121.223 0.090 0.000 2.307 208 L HA 0.840 5.176 4.340 -0.007 0.000 0.284 208 L C -0.992 175.757 176.870 -0.201 0.000 1.023 208 L CA -0.305 54.470 54.840 -0.109 0.000 0.810 208 L CB 1.266 43.294 42.059 -0.051 0.000 1.231 208 L HN 0.696 nan 8.230 nan 0.000 0.423 209 A N 6.389 129.022 122.820 -0.311 0.000 2.304 209 A HA 0.750 5.066 4.320 -0.007 0.000 0.323 209 A C -0.677 176.813 177.584 -0.157 0.000 1.195 209 A CA -0.455 51.456 52.037 -0.210 0.000 0.826 209 A CB 0.384 19.230 19.000 -0.258 0.000 1.184 209 A HN 0.712 nan 8.150 nan 0.000 0.496 210 I N 3.585 124.100 120.570 -0.092 0.000 2.382 210 I HA 0.290 4.456 4.170 -0.007 0.000 0.285 210 I C -0.887 175.246 176.117 0.026 0.000 1.007 210 I CA -0.084 61.120 61.300 -0.159 0.000 1.142 210 I CB 1.150 38.906 38.000 -0.406 0.000 1.289 210 I HN 0.474 nan 8.210 nan 0.000 0.453 211 L N 6.180 127.382 121.223 -0.035 0.000 2.313 211 L HA 0.826 5.162 4.340 -0.007 0.000 0.283 211 L C 0.265 177.147 176.870 0.018 0.000 1.013 211 L CA -0.521 54.333 54.840 0.022 0.000 0.816 211 L CB 1.789 43.837 42.059 -0.019 0.000 1.236 211 L HN 0.645 nan 8.230 nan 0.000 0.419 212 G N 0.979 109.828 108.800 0.082 0.000 2.659 212 G HA2 0.824 4.780 3.960 -0.007 0.000 0.296 212 G HA3 0.824 4.780 3.960 -0.007 0.000 0.296 212 G C -0.889 174.062 174.900 0.085 0.000 1.369 212 G CA -0.403 44.749 45.100 0.088 0.000 0.937 212 G HN 0.889 nan 8.290 nan 0.000 0.485 213 G N -1.452 107.400 108.800 0.087 0.000 2.321 213 G HA2 0.585 4.541 3.960 -0.007 0.000 0.298 213 G HA3 0.585 4.541 3.960 -0.007 0.000 0.298 213 G C 0.541 175.492 174.900 0.084 0.000 1.385 213 G CA 0.386 45.534 45.100 0.080 0.000 0.856 213 G HN 1.523 nan 8.290 nan 0.000 0.584 214 A N -0.369 122.491 122.820 0.067 0.000 1.872 214 A HA 0.342 4.658 4.320 -0.007 0.000 0.214 214 A C 1.274 178.893 177.584 0.058 0.000 1.187 214 A CA 1.627 53.700 52.037 0.060 0.000 0.614 214 A CB -0.258 18.753 19.000 0.018 0.000 0.826 214 A HN 0.577 nan 8.150 nan 0.000 0.442 215 K N -1.331 119.092 120.400 0.038 0.000 2.123 215 K HA 0.524 4.840 4.320 -0.007 0.000 0.248 215 K C 0.483 177.108 176.600 0.042 0.000 0.969 215 K CA -0.400 55.901 56.287 0.022 0.000 0.882 215 K CB 2.108 34.607 32.500 -0.002 0.000 1.080 215 K HN -0.059 nan 8.250 nan 0.000 0.441 216 V N 0.756 120.682 119.914 0.021 0.000 2.795 216 V HA -0.052 4.064 4.120 -0.007 0.000 0.243 216 V C 1.760 177.858 176.094 0.007 0.000 1.069 216 V CA 1.573 63.899 62.300 0.043 0.000 1.089 216 V CB 0.029 31.855 31.823 0.005 0.000 0.756 216 V HN 0.930 nan 8.190 nan 0.000 0.471 217 A N 1.490 124.292 122.820 -0.029 0.000 1.933 217 A HA -0.229 4.087 4.320 -0.007 0.000 0.218 217 A C 1.819 179.395 177.584 -0.013 0.000 1.175 217 A CA 1.958 53.975 52.037 -0.034 0.000 0.628 217 A CB -0.504 18.468 19.000 -0.047 0.000 0.814 217 A HN 0.705 nan 8.150 nan 0.000 0.444 218 D N -1.227 119.170 120.400 -0.004 0.000 2.328 218 D HA 0.009 4.645 4.640 -0.007 0.000 0.221 218 D C 0.765 177.071 176.300 0.009 0.000 1.072 218 D CA 0.265 54.265 54.000 0.000 0.000 0.850 218 D CB -0.043 40.756 40.800 -0.001 0.000 0.922 218 D HN 0.371 nan 8.370 nan 0.000 0.516 219 K N 0.171 120.584 120.400 0.021 0.000 2.387 219 K HA 0.264 4.580 4.320 -0.007 0.000 0.203 219 K C 1.706 178.326 176.600 0.034 0.000 1.030 219 K CA -0.312 55.993 56.287 0.030 0.000 1.099 219 K CB 0.967 33.495 32.500 0.045 0.000 0.863 219 K HN 0.173 nan 8.250 nan 0.000 0.529 220 I N 1.869 122.454 120.570 0.026 0.000 2.179 220 I HA -0.314 3.852 4.170 -0.007 0.000 0.242 220 I C 2.384 178.514 176.117 0.022 0.000 1.088 220 I CA 1.518 62.833 61.300 0.026 0.000 1.357 220 I CB -0.106 37.898 38.000 0.008 0.000 1.051 220 I HN 0.211 nan 8.210 nan 0.000 0.409 221 Q N 0.077 119.885 119.800 0.014 0.000 2.135 221 Q HA -0.250 4.085 4.340 -0.007 0.000 0.204 221 Q C 2.299 178.308 176.000 0.016 0.000 0.981 221 Q CA 1.453 57.263 55.803 0.012 0.000 0.856 221 Q CB -0.391 28.351 28.738 0.007 0.000 0.902 221 Q HN 0.421 nan 8.270 nan 0.000 0.425 222 L N 0.865 122.097 121.223 0.016 0.000 2.017 222 L HA -0.156 4.180 4.340 -0.007 0.000 0.208 222 L C 2.074 178.955 176.870 0.019 0.000 1.073 222 L CA 1.598 56.448 54.840 0.017 0.000 0.745 222 L CB -0.384 41.684 42.059 0.016 0.000 0.894 222 L HN 0.130 nan 8.230 nan 0.000 0.432 223 I N -0.233 120.352 120.570 0.026 0.000 2.226 223 I HA -0.309 3.857 4.170 -0.007 0.000 0.245 223 I C 2.118 178.248 176.117 0.022 0.000 1.100 223 I CA 1.722 63.037 61.300 0.026 0.000 1.374 223 I CB -0.506 37.531 38.000 0.062 0.000 1.057 223 I HN 0.387 nan 8.210 nan 0.000 0.413 224 N N 0.664 119.380 118.700 0.027 0.000 2.084 224 N HA -0.213 4.523 4.740 -0.007 0.000 0.190 224 N C 1.758 177.280 175.510 0.019 0.000 1.030 224 N CA 1.304 54.368 53.050 0.023 0.000 0.849 224 N CB -0.186 38.314 38.487 0.021 0.000 1.012 224 N HN 0.304 nan 8.380 nan 0.000 0.423 225 N N 0.006 118.718 118.700 0.021 0.000 2.084 225 N HA -0.138 4.598 4.740 -0.007 0.000 0.190 225 N C 1.345 176.870 175.510 0.026 0.000 1.030 225 N CA 1.060 54.126 53.050 0.027 0.000 0.849 225 N CB 0.060 38.566 38.487 0.032 0.000 1.012 225 N HN 0.165 nan 8.380 nan 0.000 0.423 226 M N 1.045 120.651 119.600 0.011 0.000 2.229 226 M HA -0.041 4.435 4.480 -0.007 0.000 0.264 226 M C 2.079 178.350 176.300 -0.047 0.000 1.063 226 M CA 0.729 56.016 55.300 -0.022 0.000 1.114 226 M CB -1.057 31.511 32.600 -0.053 0.000 1.387 226 M HN 0.208 nan 8.290 nan 0.000 0.420 227 L N -0.334 120.874 121.223 -0.025 0.000 2.353 227 L HA -0.203 4.133 4.340 -0.007 0.000 0.220 227 L C 1.361 178.229 176.870 -0.004 0.000 1.133 227 L CA 0.725 55.552 54.840 -0.022 0.000 0.798 227 L CB -0.516 41.541 42.059 -0.003 0.000 0.922 227 L HN 0.248 nan 8.230 nan 0.000 0.445 228 D N -0.558 119.849 120.400 0.012 0.000 2.348 228 D HA -0.042 4.594 4.640 -0.007 0.000 0.211 228 D C 1.816 178.146 176.300 0.049 0.000 0.998 228 D CA 0.583 54.600 54.000 0.028 0.000 0.873 228 D CB 0.419 41.239 40.800 0.033 0.000 0.925 228 D HN 0.286 nan 8.370 nan 0.000 0.524 229 K N 0.245 120.677 120.400 0.054 0.000 2.367 229 K HA 0.116 4.432 4.320 -0.007 0.000 0.198 229 K C 1.198 177.882 176.600 0.139 0.000 1.132 229 K CA 0.155 56.520 56.287 0.130 0.000 0.941 229 K CB 0.292 32.922 32.500 0.217 0.000 1.052 229 K HN 0.077 nan 8.250 nan 0.000 0.507 230 V N 0.837 120.708 119.914 -0.071 0.000 3.083 230 V HA 0.269 4.385 4.120 -0.007 0.000 0.306 230 V C 0.781 176.838 176.094 -0.061 0.000 1.077 230 V CA -0.486 61.679 62.300 -0.224 0.000 1.073 230 V CB 0.933 32.443 31.823 -0.522 0.000 1.081 230 V HN 0.077 nan 8.190 nan 0.000 0.474 231 N N 0.637 119.315 118.700 -0.037 0.000 2.415 231 N HA 0.168 4.904 4.740 -0.007 0.000 0.174 231 N C 0.159 175.643 175.510 -0.044 0.000 1.048 231 N CA 0.459 53.504 53.050 -0.008 0.000 0.895 231 N CB 0.583 39.095 38.487 0.041 0.000 1.036 231 N HN 0.813 nan 8.380 nan 0.000 0.449 232 E N -0.015 120.133 120.200 -0.088 0.000 2.390 232 E HA 0.420 4.766 4.350 -0.007 0.000 0.277 232 E C -1.163 175.348 176.600 -0.149 0.000 0.939 232 E CA -0.425 55.919 56.400 -0.094 0.000 0.769 232 E CB 3.106 32.764 29.700 -0.071 0.000 1.251 232 E HN -0.095 nan 8.360 nan 0.000 0.450 233 M N 2.866 122.385 119.600 -0.135 0.000 2.271 233 M HA 0.447 4.923 4.480 -0.007 0.000 0.285 233 M C -1.918 174.282 176.300 -0.166 0.000 1.059 233 M CA -0.522 54.681 55.300 -0.162 0.000 0.940 233 M CB 1.464 33.973 32.600 -0.152 0.000 1.636 233 M HN 0.534 nan 8.290 nan 0.000 0.460 234 I N 5.519 125.961 120.570 -0.214 0.000 2.331 234 I HA 0.377 4.543 4.170 -0.007 0.000 0.292 234 I C -0.695 175.265 176.117 -0.262 0.000 0.998 234 I CA -0.492 60.645 61.300 -0.272 0.000 1.267 234 I CB 1.339 39.050 38.000 -0.481 0.000 1.386 234 I HN 0.626 nan 8.210 nan 0.000 0.476 235 I N 6.005 126.428 120.570 -0.245 0.000 2.354 235 I HA 0.493 4.659 4.170 -0.007 0.000 0.286 235 I C 0.431 176.446 176.117 -0.169 0.000 1.007 235 I CA -0.129 61.014 61.300 -0.261 0.000 1.167 235 I CB 1.455 39.170 38.000 -0.475 0.000 1.320 235 I HN 0.636 nan 8.210 nan 0.000 0.458 236 G N 3.120 111.855 108.800 -0.108 0.000 2.818 236 G HA2 0.772 4.728 3.960 -0.007 0.000 0.286 236 G HA3 0.772 4.728 3.960 -0.007 0.000 0.286 236 G C -0.220 174.712 174.900 0.052 0.000 1.364 236 G CA -0.344 44.758 45.100 0.003 0.000 0.938 236 G HN 0.925 nan 8.290 nan 0.000 0.490 237 G N -1.183 107.689 108.800 0.121 0.000 2.645 237 G HA2 0.254 4.210 3.960 -0.007 0.000 0.239 237 G HA3 0.254 4.210 3.960 -0.007 0.000 0.239 237 G C 1.317 176.280 174.900 0.104 0.000 1.331 237 G CA 0.524 45.712 45.100 0.147 0.000 0.890 237 G HN 1.907 nan 8.290 nan 0.000 0.572 238 G N 0.001 108.905 108.800 0.173 0.000 2.432 238 G HA2 0.020 3.975 3.960 -0.007 0.000 0.219 238 G HA3 0.020 3.975 3.960 -0.007 0.000 0.219 238 G C 1.974 177.001 174.900 0.211 0.000 1.135 238 G CA 2.344 47.602 45.100 0.262 0.000 0.767 238 G HN 1.496 nan 8.290 nan 0.000 0.550 239 M N 0.049 119.728 119.600 0.131 0.000 2.358 239 M HA 0.255 4.731 4.480 -0.007 0.000 0.264 239 M C 2.519 178.936 176.300 0.195 0.000 1.064 239 M CA 1.517 56.909 55.300 0.154 0.000 1.093 239 M CB -0.393 32.294 32.600 0.145 0.000 1.401 239 M HN 0.111 nan 8.290 nan 0.000 0.440 240 A N 0.907 123.741 122.820 0.022 0.000 1.972 240 A HA -0.064 4.252 4.320 -0.007 0.000 0.219 240 A C 1.722 179.310 177.584 0.007 0.000 1.169 240 A CA 1.311 53.325 52.037 -0.039 0.000 0.635 240 A CB -1.085 17.801 19.000 -0.191 0.000 0.810 240 A HN 0.566 nan 8.150 nan 0.000 0.446 241 F N 0.675 120.739 119.950 0.190 0.000 2.216 241 F HA -0.123 4.401 4.527 -0.005 0.000 0.300 241 F C 2.648 178.595 175.800 0.244 0.000 1.085 241 F CA 1.620 59.707 58.000 0.145 0.000 1.326 241 F CB -1.225 37.812 39.000 0.062 0.000 1.027 241 F HN 0.120 nan 8.300 nan 0.000 0.497 242 T N 0.080 114.859 114.554 0.374 0.000 2.708 242 T HA -0.178 4.168 4.350 -0.007 0.000 0.266 242 T C 1.826 176.639 174.700 0.188 0.000 1.037 242 T CA 1.437 63.688 62.100 0.251 0.000 1.146 242 T CB -0.671 68.152 68.868 -0.074 0.000 0.865 242 T HN 0.095 nan 8.240 nan 0.000 0.435 243 F N 1.168 121.179 119.950 0.102 0.000 2.102 243 F HA -0.003 4.521 4.527 -0.005 0.000 0.298 243 F C 2.149 178.012 175.800 0.106 0.000 1.105 243 F CA 0.932 58.981 58.000 0.081 0.000 1.239 243 F CB -0.602 38.425 39.000 0.046 0.000 0.991 243 F HN 0.063 nan 8.300 nan 0.000 0.474 244 L N -0.182 121.225 121.223 0.306 0.000 2.093 244 L HA -0.210 4.126 4.340 -0.007 0.000 0.208 244 L C 2.364 179.347 176.870 0.188 0.000 1.085 244 L CA 1.396 56.373 54.840 0.229 0.000 0.755 244 L CB -0.736 41.460 42.059 0.227 0.000 0.904 244 L HN 0.065 nan 8.230 nan 0.000 0.435 245 K N 0.249 120.775 120.400 0.209 0.000 2.057 245 K HA -0.148 4.168 4.320 -0.007 0.000 0.207 245 K C 2.013 178.683 176.600 0.117 0.000 1.049 245 K CA 1.407 57.776 56.287 0.136 0.000 0.931 245 K CB 0.019 32.582 32.500 0.105 0.000 0.714 245 K HN 0.070 nan 8.250 nan 0.000 0.440 246 V N 1.479 121.482 119.914 0.150 0.000 2.270 246 V HA -0.232 3.884 4.120 -0.007 0.000 0.245 246 V C 2.280 178.422 176.094 0.080 0.000 1.043 246 V CA 1.601 63.959 62.300 0.098 0.000 1.014 246 V CB -0.365 31.492 31.823 0.057 0.000 0.645 246 V HN 0.298 nan 8.190 nan 0.000 0.447 247 L N 0.343 121.628 121.223 0.102 0.000 2.056 247 L HA -0.069 4.267 4.340 -0.007 0.000 0.207 247 L C 1.755 178.676 176.870 0.085 0.000 1.078 247 L CA 1.415 56.314 54.840 0.098 0.000 0.749 247 L CB -0.428 41.709 42.059 0.131 0.000 0.901 247 L HN 0.412 nan 8.230 nan 0.000 0.433 248 N N -0.933 117.823 118.700 0.094 0.000 2.171 248 N HA 0.028 4.764 4.740 -0.007 0.000 0.212 248 N C -0.173 175.376 175.510 0.066 0.000 1.184 248 N CA 0.025 53.123 53.050 0.081 0.000 0.888 248 N CB 0.515 39.062 38.487 0.100 0.000 1.038 248 N HN 0.090 nan 8.380 nan 0.000 0.517 249 N N 0.896 119.631 118.700 0.058 0.000 2.714 249 N HA -0.202 4.534 4.740 -0.007 0.000 0.250 249 N C -0.063 175.468 175.510 0.034 0.000 1.117 249 N CA 0.493 53.564 53.050 0.035 0.000 0.719 249 N CB -1.605 36.896 38.487 0.024 0.000 1.081 249 N HN 0.506 nan 8.380 nan 0.000 0.557 250 M N 0.485 120.120 119.600 0.059 0.000 2.248 250 M HA -0.013 4.463 4.480 -0.007 0.000 0.345 250 M C 0.195 176.507 176.300 0.020 0.000 1.243 250 M CA 0.537 55.876 55.300 0.064 0.000 1.090 250 M CB 0.458 33.130 32.600 0.119 0.000 1.683 250 M HN -0.053 nan 8.290 nan 0.000 0.450 251 E N 5.981 126.185 120.200 0.007 0.000 2.223 251 E HA 0.137 4.483 4.350 -0.007 0.000 0.282 251 E C 0.333 176.905 176.600 -0.046 0.000 1.046 251 E CA 0.086 56.468 56.400 -0.030 0.000 0.857 251 E CB 0.580 30.265 29.700 -0.025 0.000 1.055 251 E HN 0.751 nan 8.360 nan 0.000 0.409 252 I N -0.114 120.402 120.570 -0.090 0.000 4.082 252 I HA 0.298 4.464 4.170 -0.007 0.000 0.337 252 I C 0.979 176.979 176.117 -0.195 0.000 1.352 252 I CA -0.049 61.151 61.300 -0.166 0.000 1.097 252 I CB 0.271 38.184 38.000 -0.145 0.000 1.048 252 I HN 0.559 nan 8.210 nan 0.000 0.393 253 G N 2.969 111.704 108.800 -0.109 0.000 2.591 253 G HA2 -0.415 3.541 3.960 -0.007 0.000 0.298 253 G HA3 -0.415 3.541 3.960 -0.007 0.000 0.298 253 G C 0.707 175.564 174.900 -0.073 0.000 1.195 253 G CA 1.067 46.132 45.100 -0.057 0.000 0.989 253 G HN 0.642 nan 8.290 nan 0.000 0.551 254 T N -1.318 113.204 114.554 -0.055 0.000 3.206 254 T HA 0.582 4.928 4.350 -0.007 0.000 0.253 254 T C 0.985 175.627 174.700 -0.095 0.000 1.042 254 T CA 0.968 63.035 62.100 -0.054 0.000 0.931 254 T CB 0.095 68.948 68.868 -0.026 0.000 1.029 254 T HN 0.762 nan 8.240 nan 0.000 0.564 255 S N 1.653 117.236 115.700 -0.196 0.000 2.576 255 S HA 0.327 4.793 4.470 -0.007 0.000 0.272 255 S C 0.558 175.106 174.600 -0.088 0.000 1.352 255 S CA -0.665 57.354 58.200 -0.302 0.000 1.021 255 S CB 0.234 62.899 63.200 -0.892 0.000 0.887 255 S HN 0.461 nan 8.310 nan 0.000 0.542 256 L N 2.351 123.573 121.223 -0.001 0.000 2.525 256 L HA 0.171 4.506 4.340 -0.007 0.000 0.278 256 L C -0.350 176.651 176.870 0.219 0.000 1.218 256 L CA 0.397 55.292 54.840 0.090 0.000 0.878 256 L CB -0.179 41.938 42.059 0.097 0.000 1.127 256 L HN 0.540 nan 8.230 nan 0.000 0.492 257 F N 3.118 123.081 119.950 0.023 0.000 2.539 257 F HA 0.302 4.825 4.527 -0.007 0.000 0.318 257 F C -0.501 175.309 175.800 0.017 0.000 1.135 257 F CA -1.035 56.986 58.000 0.034 0.000 0.915 257 F CB 1.457 40.465 39.000 0.014 0.000 1.176 257 F HN 0.331 nan 8.300 nan 0.000 0.440 258 D N 5.425 125.385 120.400 -0.733 0.000 2.454 258 D HA 0.183 4.819 4.640 -0.007 0.000 0.225 258 D C 0.689 176.568 176.300 -0.702 0.000 1.081 258 D CA 0.043 53.744 54.000 -0.499 0.000 0.864 258 D CB 1.017 41.647 40.800 -0.283 0.000 1.040 258 D HN 0.769 nan 8.370 nan 0.000 0.517 259 E N 2.142 122.074 120.200 -0.446 0.000 2.077 259 E HA -0.174 4.172 4.350 -0.007 0.000 0.193 259 E C 1.151 177.641 176.600 -0.185 0.000 0.989 259 E CA 0.849 57.095 56.400 -0.257 0.000 0.800 259 E CB 0.382 30.056 29.700 -0.043 0.000 0.746 259 E HN 0.511 nan 8.360 nan 0.000 0.452 260 E N 0.209 120.317 120.200 -0.153 0.000 2.051 260 E HA -0.127 4.219 4.350 -0.007 0.000 0.192 260 E C 2.257 178.774 176.600 -0.138 0.000 0.991 260 E CA 1.154 57.487 56.400 -0.112 0.000 0.799 260 E CB -0.579 29.071 29.700 -0.084 0.000 0.748 260 E HN 0.356 nan 8.360 nan 0.000 0.449 261 G N 1.138 109.826 108.800 -0.186 0.000 2.432 261 G HA2 -0.199 3.757 3.960 -0.007 0.000 0.219 261 G HA3 -0.199 3.757 3.960 -0.007 0.000 0.219 261 G C 1.726 176.472 174.900 -0.257 0.000 1.135 261 G CA 1.137 46.114 45.100 -0.205 0.000 0.767 261 G HN 0.377 nan 8.290 nan 0.000 0.550 262 A N 1.095 123.744 122.820 -0.284 0.000 1.978 262 A HA -0.036 4.280 4.320 -0.007 0.000 0.220 262 A C 2.278 179.790 177.584 -0.121 0.000 1.170 262 A CA 1.839 53.751 52.037 -0.209 0.000 0.636 262 A CB -0.312 18.604 19.000 -0.140 0.000 0.810 262 A HN 0.413 nan 8.150 nan 0.000 0.448 263 K N -0.577 119.761 120.400 -0.103 0.000 2.209 263 K HA -0.118 4.198 4.320 -0.007 0.000 0.204 263 K C 1.106 177.661 176.600 -0.074 0.000 1.048 263 K CA 1.645 57.893 56.287 -0.065 0.000 0.940 263 K CB -0.324 32.145 32.500 -0.051 0.000 0.729 263 K HN 0.766 nan 8.250 nan 0.000 0.451 264 I N -3.711 116.793 120.570 -0.110 0.000 4.025 264 I HA 0.073 4.239 4.170 -0.007 0.000 0.336 264 I C 1.283 177.322 176.117 -0.130 0.000 1.390 264 I CA -0.054 61.190 61.300 -0.094 0.000 1.099 264 I CB 0.280 38.238 38.000 -0.070 0.000 1.049 264 I HN -0.310 nan 8.210 nan 0.000 0.394 265 V N 1.369 121.151 119.914 -0.220 0.000 2.343 265 V HA -0.245 3.871 4.120 -0.007 0.000 0.247 265 V C 2.581 178.622 176.094 -0.089 0.000 1.051 265 V CA 2.114 64.221 62.300 -0.322 0.000 1.036 265 V CB -0.680 30.835 31.823 -0.513 0.000 0.654 265 V HN 0.467 nan 8.190 nan 0.000 0.451 266 K N -0.362 120.008 120.400 -0.050 0.000 2.097 266 K HA -0.174 4.142 4.320 -0.007 0.000 0.206 266 K C 1.889 178.498 176.600 0.015 0.000 1.049 266 K CA 1.613 57.902 56.287 0.004 0.000 0.933 266 K CB -0.292 32.210 32.500 0.003 0.000 0.717 266 K HN 0.449 nan 8.250 nan 0.000 0.442 267 D N 1.091 121.491 120.400 0.000 0.000 2.117 267 D HA -0.140 4.496 4.640 -0.007 0.000 0.197 267 D C 1.932 178.249 176.300 0.028 0.000 0.987 267 D CA 1.010 55.015 54.000 0.010 0.000 0.829 267 D CB -0.157 40.643 40.800 -0.001 0.000 0.961 267 D HN 0.137 nan 8.370 nan 0.000 0.460 268 L N 0.077 121.324 121.223 0.041 0.000 2.017 268 L HA -0.152 4.184 4.340 -0.007 0.000 0.208 268 L C 2.495 179.426 176.870 0.102 0.000 1.073 268 L CA 0.749 55.642 54.840 0.088 0.000 0.745 268 L CB -0.361 41.794 42.059 0.161 0.000 0.894 268 L HN 0.034 nan 8.230 nan 0.000 0.432 269 M N -0.732 118.938 119.600 0.117 0.000 2.117 269 M HA -0.173 4.303 4.480 -0.007 0.000 0.262 269 M C 2.606 178.942 176.300 0.060 0.000 1.065 269 M CA 1.609 56.971 55.300 0.103 0.000 1.114 269 M CB -1.391 31.280 32.600 0.119 0.000 1.361 269 M HN 0.237 nan 8.290 nan 0.000 0.408 270 S N 0.280 116.009 115.700 0.048 0.000 2.368 270 S HA -0.176 4.290 4.470 -0.007 0.000 0.225 270 S C 2.043 176.660 174.600 0.029 0.000 1.030 270 S CA 1.548 59.768 58.200 0.033 0.000 0.999 270 S CB -0.096 63.120 63.200 0.026 0.000 0.844 270 S HN 0.472 nan 8.310 nan 0.000 0.459 271 K N 0.519 120.937 120.400 0.030 0.000 2.057 271 K HA -0.035 4.281 4.320 -0.007 0.000 0.207 271 K C 2.193 178.807 176.600 0.022 0.000 1.049 271 K CA 1.217 57.519 56.287 0.025 0.000 0.931 271 K CB -0.552 31.964 32.500 0.026 0.000 0.714 271 K HN 0.403 nan 8.250 nan 0.000 0.440 272 A N 1.301 124.137 122.820 0.027 0.000 1.877 272 A HA -0.240 4.076 4.320 -0.007 0.000 0.216 272 A C 2.025 179.617 177.584 0.014 0.000 1.186 272 A CA 1.952 53.999 52.037 0.016 0.000 0.620 272 A CB -0.658 18.353 19.000 0.019 0.000 0.822 272 A HN 0.621 nan 8.150 nan 0.000 0.443 273 E N 0.030 120.242 120.200 0.020 0.000 2.051 273 E HA -0.269 4.077 4.350 -0.007 0.000 0.192 273 E C 2.030 178.639 176.600 0.014 0.000 0.991 273 E CA 1.700 58.110 56.400 0.017 0.000 0.799 273 E CB -0.175 29.537 29.700 0.021 0.000 0.748 273 E HN 0.625 nan 8.360 nan 0.000 0.449 274 K N 0.194 120.603 120.400 0.015 0.000 2.063 274 K HA -0.168 4.148 4.320 -0.007 0.000 0.208 274 K C 1.562 178.169 176.600 0.013 0.000 1.048 274 K CA 1.860 58.155 56.287 0.014 0.000 0.928 274 K CB -0.028 32.480 32.500 0.015 0.000 0.713 274 K HN 0.073 nan 8.250 nan 0.000 0.442 275 N N -0.422 118.285 118.700 0.012 0.000 2.463 275 N HA 0.048 4.784 4.740 -0.007 0.000 0.181 275 N C 0.588 176.104 175.510 0.010 0.000 1.078 275 N CA 1.106 54.163 53.050 0.012 0.000 0.902 275 N CB 0.739 39.233 38.487 0.011 0.000 0.970 275 N HN 0.517 nan 8.380 nan 0.000 0.451 276 G N -0.636 108.169 108.800 0.008 0.000 2.132 276 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.234 276 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.234 276 G C -0.299 174.601 174.900 -0.000 0.000 0.989 276 G CA 0.077 45.181 45.100 0.006 0.000 0.676 276 G HN 0.169 nan 8.290 nan 0.000 0.522 277 V N 0.968 120.878 119.914 -0.006 0.000 2.432 277 V HA 0.412 4.528 4.120 -0.007 0.000 0.275 277 V C 0.845 176.926 176.094 -0.021 0.000 1.043 277 V CA -0.370 61.918 62.300 -0.020 0.000 0.925 277 V CB 1.626 33.431 31.823 -0.031 0.000 0.985 277 V HN 0.398 nan 8.190 nan 0.000 0.466 278 K N 5.576 125.960 120.400 -0.026 0.000 2.312 278 K HA 0.343 4.659 4.320 -0.007 0.000 0.287 278 K C -0.736 175.840 176.600 -0.040 0.000 1.062 278 K CA -0.546 55.727 56.287 -0.025 0.000 0.934 278 K CB 0.443 32.930 32.500 -0.022 0.000 1.027 278 K HN 0.447 nan 8.250 nan 0.000 0.478 279 I N 4.254 124.803 120.570 -0.035 0.000 2.315 279 I HA 0.146 4.312 4.170 -0.007 0.000 0.291 279 I C -0.071 176.021 176.117 -0.042 0.000 1.006 279 I CA -0.343 60.925 61.300 -0.055 0.000 1.265 279 I CB 1.224 39.194 38.000 -0.050 0.000 1.387 279 I HN 0.597 nan 8.210 nan 0.000 0.475 280 T N 7.778 122.301 114.554 -0.051 0.000 2.772 280 T HA 0.642 4.988 4.350 -0.007 0.000 0.288 280 T C 0.130 174.842 174.700 0.020 0.000 0.994 280 T CA -0.371 61.729 62.100 0.001 0.000 0.951 280 T CB 1.107 69.997 68.868 0.036 0.000 0.933 280 T HN 0.247 nan 8.240 nan 0.000 0.447 281 L N 4.824 126.066 121.223 0.030 0.000 2.332 281 L HA 0.610 4.946 4.340 -0.007 0.000 0.269 281 L C -1.916 174.996 176.870 0.070 0.000 1.016 281 L CA -2.600 52.264 54.840 0.039 0.000 0.809 281 L CB 1.317 43.376 42.059 0.001 0.000 1.280 281 L HN 0.365 nan 8.230 nan 0.000 0.447 282 P HA 0.052 nan 4.420 nan 0.000 0.274 282 P C 0.066 177.278 177.300 -0.147 0.000 1.231 282 P CA -0.170 62.851 63.100 -0.131 0.000 0.790 282 P CB 1.272 32.910 31.700 -0.103 0.000 0.951 283 V N -2.674 117.044 119.914 -0.326 0.000 3.502 283 V HA 0.302 4.418 4.120 -0.007 0.000 0.288 283 V C -0.166 175.707 176.094 -0.368 0.000 1.461 283 V CA 0.171 62.338 62.300 -0.221 0.000 1.029 283 V CB -0.188 31.549 31.823 -0.144 0.000 0.843 283 V HN 0.588 nan 8.190 nan 0.000 0.438 284 D N -0.429 119.471 120.400 -0.833 0.000 2.599 284 D HA 0.586 5.222 4.640 -0.007 0.000 0.252 284 D C -1.259 174.294 176.300 -1.245 0.000 1.232 284 D CA -0.522 53.016 54.000 -0.770 0.000 0.819 284 D CB 1.606 42.233 40.800 -0.289 0.000 1.401 284 D HN 0.050 nan 8.370 nan 0.000 0.429 285 F N -0.993 119.028 119.950 0.118 0.000 2.631 285 F HA 0.523 5.046 4.527 -0.006 0.000 0.308 285 F C -0.389 175.528 175.800 0.195 0.000 1.097 285 F CA -1.164 56.951 58.000 0.191 0.000 0.952 285 F CB 2.232 41.406 39.000 0.290 0.000 1.307 285 F HN 0.126 nan 8.300 nan 0.000 0.450 286 V N 1.375 121.547 119.914 0.430 0.000 2.407 286 V HA 0.535 4.651 4.120 -0.007 0.000 0.278 286 V C 0.013 176.394 176.094 0.479 0.000 1.037 286 V CA -0.633 61.914 62.300 0.412 0.000 0.900 286 V CB 1.275 33.355 31.823 0.429 0.000 0.983 286 V HN 0.877 nan 8.190 nan 0.000 0.459 287 T N 2.145 116.969 114.554 0.450 0.000 2.943 287 T HA 0.885 5.231 4.350 -0.007 0.000 0.284 287 T C -0.295 174.743 174.700 0.563 0.000 1.015 287 T CA -0.482 61.899 62.100 0.469 0.000 1.042 287 T CB 2.038 71.195 68.868 0.482 0.000 1.055 287 T HN 1.076 nan 8.240 nan 0.000 0.500 288 A N 1.430 124.480 122.820 0.382 0.000 2.475 288 A HA 0.602 4.918 4.320 -0.007 0.000 0.301 288 A C 0.706 178.041 177.584 -0.416 0.000 1.059 288 A CA -0.598 51.495 52.037 0.092 0.000 0.710 288 A CB 1.400 20.425 19.000 0.043 0.000 1.288 288 A HN 0.903 nan 8.150 nan 0.000 0.408 289 D N 1.028 120.826 120.400 -1.003 0.000 2.348 289 D HA -0.017 4.619 4.640 -0.007 0.000 0.216 289 D C 0.348 176.323 176.300 -0.542 0.000 0.970 289 D CA 1.160 54.387 54.000 -1.289 0.000 0.889 289 D CB 0.050 40.081 40.800 -1.282 0.000 0.912 289 D HN 0.700 nan 8.370 nan 0.000 0.524 290 K N -2.161 118.057 120.400 -0.302 0.000 2.658 290 K HA 0.240 4.556 4.320 -0.007 0.000 0.293 290 K C -1.560 175.039 176.600 -0.001 0.000 1.026 290 K CA -0.973 55.242 56.287 -0.120 0.000 0.871 290 K CB 0.067 32.497 32.500 -0.116 0.000 1.524 290 K HN -0.162 nan 8.250 nan 0.000 0.400 291 F N 2.192 122.120 119.950 -0.035 0.000 2.652 291 F HA 0.305 4.827 4.527 -0.007 0.000 0.352 291 F C -0.890 174.980 175.800 0.117 0.000 1.259 291 F CA 0.258 58.312 58.000 0.089 0.000 1.249 291 F CB -0.251 38.808 39.000 0.098 0.000 1.628 291 F HN 0.689 nan 8.300 nan 0.000 0.654 292 D N 1.666 121.879 120.400 -0.312 0.000 2.756 292 D HA 0.117 4.753 4.640 -0.007 0.000 0.226 292 D C 0.713 176.353 176.300 -1.100 0.000 1.186 292 D CA -0.448 53.151 54.000 -0.669 0.000 0.845 292 D CB 1.457 42.055 40.800 -0.337 0.000 1.610 292 D HN 0.393 nan 8.370 nan 0.000 0.465 293 E N 1.338 120.486 120.200 -1.753 0.000 2.153 293 E HA -0.167 4.179 4.350 -0.007 0.000 0.194 293 E C 0.169 176.456 176.600 -0.522 0.000 0.988 293 E CA 1.236 56.759 56.400 -1.461 0.000 0.811 293 E CB 0.077 28.915 29.700 -1.437 0.000 0.746 293 E HN 0.428 nan 8.360 nan 0.000 0.466 294 N N -0.058 118.391 118.700 -0.419 0.000 2.273 294 N HA 0.221 4.957 4.740 -0.007 0.000 0.231 294 N C -0.814 174.605 175.510 -0.150 0.000 1.134 294 N CA -0.131 52.783 53.050 -0.228 0.000 0.856 294 N CB 1.232 39.600 38.487 -0.199 0.000 1.068 294 N HN 0.112 nan 8.380 nan 0.000 0.510 295 A N 0.911 123.660 122.820 -0.118 0.000 2.466 295 A HA 0.099 4.415 4.320 -0.007 0.000 0.238 295 A C 0.519 178.088 177.584 -0.024 0.000 1.074 295 A CA -0.034 51.959 52.037 -0.074 0.000 0.774 295 A CB 0.395 19.376 19.000 -0.031 0.000 1.015 295 A HN 0.206 nan 8.150 nan 0.000 0.498 296 K N 0.568 120.922 120.400 -0.076 0.000 2.436 296 K HA 0.266 4.582 4.320 -0.007 0.000 0.275 296 K C 0.453 177.122 176.600 0.114 0.000 0.999 296 K CA 0.732 57.027 56.287 0.013 0.000 0.980 296 K CB 0.391 32.900 32.500 0.015 0.000 0.919 296 K HN 0.892 nan 8.250 nan 0.000 0.484 297 T N -1.295 113.423 114.554 0.273 0.000 2.930 297 T HA 0.768 5.114 4.350 -0.007 0.000 0.290 297 T C 0.118 175.088 174.700 0.450 0.000 1.052 297 T CA -0.820 61.520 62.100 0.400 0.000 1.017 297 T CB 2.159 71.165 68.868 0.230 0.000 1.137 297 T HN 0.638 nan 8.240 nan 0.000 0.511 298 G N 0.112 109.165 108.800 0.422 0.000 2.721 298 G HA2 0.612 4.568 3.960 -0.007 0.000 0.296 298 G HA3 0.612 4.568 3.960 -0.007 0.000 0.296 298 G C -2.061 172.956 174.900 0.195 0.000 1.383 298 G CA -0.967 44.266 45.100 0.221 0.000 0.788 298 G HN 0.788 nan 8.290 nan 0.000 0.500 299 Q N -1.290 118.575 119.800 0.109 0.000 2.413 299 Q HA 0.809 5.145 4.340 -0.007 0.000 0.276 299 Q C -0.383 175.686 176.000 0.115 0.000 1.099 299 Q CA -0.401 55.480 55.803 0.129 0.000 0.814 299 Q CB 2.560 31.347 28.738 0.082 0.000 1.379 299 Q HN 1.080 nan 8.270 nan 0.000 0.436 300 A N 0.347 123.281 122.820 0.190 0.000 2.593 300 A HA 0.929 5.245 4.320 -0.007 0.000 0.290 300 A C -1.052 176.690 177.584 0.264 0.000 1.126 300 A CA -0.471 51.692 52.037 0.209 0.000 0.695 300 A CB 1.550 20.692 19.000 0.238 0.000 1.290 300 A HN 0.710 nan 8.150 nan 0.000 0.414 301 T N -2.453 112.242 114.554 0.235 0.000 2.887 301 T HA 0.538 4.884 4.350 -0.007 0.000 0.292 301 T C 0.740 175.614 174.700 0.290 0.000 1.087 301 T CA 0.008 62.233 62.100 0.208 0.000 1.009 301 T CB 0.878 69.796 68.868 0.084 0.000 1.203 301 T HN 0.775 nan 8.240 nan 0.000 0.518 302 V N 1.133 121.215 119.914 0.281 0.000 2.332 302 V HA -0.113 4.003 4.120 -0.007 0.000 0.248 302 V C 3.070 179.255 176.094 0.151 0.000 1.055 302 V CA 2.555 65.012 62.300 0.262 0.000 1.038 302 V CB -1.457 30.494 31.823 0.214 0.000 0.651 302 V HN 1.073 nan 8.190 nan 0.000 0.450 303 A N 0.578 123.462 122.820 0.107 0.000 1.930 303 A HA -0.193 4.123 4.320 -0.007 0.000 0.217 303 A C 2.541 180.159 177.584 0.056 0.000 1.175 303 A CA 2.166 54.245 52.037 0.069 0.000 0.627 303 A CB -0.705 18.323 19.000 0.046 0.000 0.815 303 A HN 0.688 nan 8.150 nan 0.000 0.443 304 S N -1.256 114.481 115.700 0.063 0.000 2.402 304 S HA 0.351 4.817 4.470 -0.007 0.000 0.229 304 S C 1.315 175.936 174.600 0.036 0.000 1.021 304 S CA 1.120 59.345 58.200 0.041 0.000 0.974 304 S CB -1.033 62.190 63.200 0.038 0.000 0.800 304 S HN 2.160 nan 8.310 nan 0.000 0.484 305 G N 0.594 109.433 108.800 0.064 0.000 2.795 305 G HA2 -0.119 3.837 3.960 -0.007 0.000 0.664 305 G HA3 -0.119 3.837 3.960 -0.007 0.000 0.664 305 G C -0.713 174.206 174.900 0.032 0.000 1.381 305 G CA -0.384 44.742 45.100 0.044 0.000 0.853 305 G HN 0.574 nan 8.290 nan 0.000 0.545 306 I N 2.103 122.670 120.570 -0.005 0.000 2.359 306 I HA 0.336 4.502 4.170 -0.007 0.000 0.294 306 I C -1.779 174.317 176.117 -0.036 0.000 0.987 306 I CA -2.108 59.179 61.300 -0.020 0.000 1.225 306 I CB 2.047 40.004 38.000 -0.071 0.000 1.366 306 I HN 0.276 nan 8.210 nan 0.000 0.466 307 P HA 0.083 nan 4.420 nan 0.000 0.269 307 P C -0.533 176.773 177.300 0.010 0.000 1.215 307 P CA -0.380 62.657 63.100 -0.105 0.000 0.780 307 P CB 0.505 32.017 31.700 -0.313 0.000 0.898 308 A N 2.022 124.855 122.820 0.023 0.000 2.540 308 A HA 0.401 4.717 4.320 -0.007 0.000 0.239 308 A C 1.502 179.199 177.584 0.189 0.000 1.061 308 A CA 0.759 52.837 52.037 0.069 0.000 0.758 308 A CB -1.453 17.571 19.000 0.040 0.000 0.991 308 A HN 0.911 nan 8.150 nan 0.000 0.502 309 G N 0.327 109.230 108.800 0.171 0.000 2.159 309 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.256 309 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.256 309 G C -0.213 174.843 174.900 0.260 0.000 0.977 309 G CA 0.541 45.758 45.100 0.195 0.000 0.652 309 G HN 0.807 nan 8.290 nan 0.000 0.531 310 W N 0.307 121.589 121.300 -0.031 0.000 2.736 310 W HA 0.835 5.491 4.660 -0.007 0.000 0.355 310 W C 0.540 177.015 176.519 -0.073 0.000 1.102 310 W CA -1.020 56.310 57.345 -0.025 0.000 1.164 310 W CB 0.986 30.444 29.460 -0.002 0.000 1.422 310 W HN 0.290 nan 8.180 nan 0.000 0.572 311 M N 1.121 120.797 119.600 0.127 0.000 2.518 311 M HA 0.819 5.295 4.480 -0.007 0.000 0.300 311 M C -0.008 176.278 176.300 -0.023 0.000 1.175 311 M CA -0.946 54.331 55.300 -0.039 0.000 0.890 311 M CB 1.949 34.516 32.600 -0.055 0.000 1.710 311 M HN 0.479 nan 8.290 nan 0.000 0.453 312 G N 2.514 111.178 108.800 -0.227 0.000 2.333 312 G HA2 0.557 4.513 3.960 -0.007 0.000 0.290 312 G HA3 0.557 4.513 3.960 -0.007 0.000 0.290 312 G C -0.020 175.001 174.900 0.201 0.000 1.150 312 G CA -0.704 44.413 45.100 0.029 0.000 0.895 312 G HN 0.856 nan 8.290 nan 0.000 0.444 313 L N 1.277 122.626 121.223 0.211 0.000 2.817 313 L HA 0.341 4.677 4.340 -0.007 0.000 0.248 313 L C 0.056 177.105 176.870 0.297 0.000 1.133 313 L CA 0.030 54.934 54.840 0.106 0.000 0.935 313 L CB 0.646 42.417 42.059 -0.480 0.000 1.266 313 L HN 0.414 nan 8.230 nan 0.000 0.535 314 D N -0.632 120.034 120.400 0.443 0.000 2.602 314 D HA 0.268 4.904 4.640 -0.007 0.000 0.236 314 D C -0.676 175.875 176.300 0.419 0.000 1.209 314 D CA -0.458 53.801 54.000 0.432 0.000 0.831 314 D CB 2.067 43.139 40.800 0.454 0.000 1.478 314 D HN 0.068 nan 8.370 nan 0.000 0.438 315 C N 0.713 120.188 119.300 0.292 0.000 2.649 315 C HA 0.962 5.418 4.460 -0.007 0.000 0.377 315 C C 1.085 176.088 174.990 0.022 0.000 1.321 315 C CA -0.096 58.975 59.018 0.088 0.000 2.368 315 C CB 0.022 27.749 27.740 -0.021 0.000 2.597 315 C HN 0.488 nan 8.230 nan 0.000 0.678 316 G N 0.628 109.341 108.800 -0.145 0.000 2.613 316 G HA2 0.637 4.593 3.960 -0.007 0.000 0.303 316 G HA3 0.637 4.593 3.960 -0.007 0.000 0.303 316 G C -1.677 173.140 174.900 -0.138 0.000 1.312 316 G CA -0.748 44.295 45.100 -0.096 0.000 1.036 316 G HN 0.563 nan 8.290 nan 0.000 0.513 317 P HA -0.062 nan 4.420 nan 0.000 0.218 317 P C 1.200 178.417 177.300 -0.139 0.000 1.149 317 P CA 0.959 64.000 63.100 -0.098 0.000 0.817 317 P CB 0.356 32.019 31.700 -0.061 0.000 0.785 318 E N 0.186 120.294 120.200 -0.154 0.000 2.110 318 E HA -0.083 4.263 4.350 -0.007 0.000 0.193 318 E C 2.228 178.676 176.600 -0.253 0.000 0.988 318 E CA 1.027 57.326 56.400 -0.169 0.000 0.804 318 E CB -0.841 28.772 29.700 -0.145 0.000 0.745 318 E HN 0.264 nan 8.360 nan 0.000 0.458 319 S N 1.019 116.500 115.700 -0.364 0.000 2.368 319 S HA -0.096 4.370 4.470 -0.007 0.000 0.225 319 S C 2.169 176.338 174.600 -0.719 0.000 1.030 319 S CA 1.161 58.993 58.200 -0.614 0.000 0.999 319 S CB -0.161 62.604 63.200 -0.725 0.000 0.844 319 S HN 0.173 nan 8.310 nan 0.000 0.459 320 S N 1.493 116.933 115.700 -0.433 0.000 2.399 320 S HA -0.063 4.403 4.470 -0.007 0.000 0.231 320 S C 1.776 176.282 174.600 -0.157 0.000 1.022 320 S CA 0.989 59.041 58.200 -0.246 0.000 0.983 320 S CB -0.165 62.970 63.200 -0.108 0.000 0.803 320 S HN 0.453 nan 8.310 nan 0.000 0.480 321 K N 1.193 121.495 120.400 -0.163 0.000 2.026 321 K HA -0.029 4.287 4.320 -0.007 0.000 0.208 321 K C 2.213 178.762 176.600 -0.085 0.000 1.048 321 K CA 1.090 57.315 56.287 -0.104 0.000 0.929 321 K CB -0.096 32.346 32.500 -0.097 0.000 0.713 321 K HN 0.225 nan 8.250 nan 0.000 0.439 322 K N -0.277 120.049 120.400 -0.125 0.000 2.097 322 K HA -0.137 4.179 4.320 -0.007 0.000 0.206 322 K C 2.136 178.760 176.600 0.040 0.000 1.049 322 K CA 1.265 57.511 56.287 -0.069 0.000 0.933 322 K CB -0.116 32.319 32.500 -0.107 0.000 0.717 322 K HN 0.118 nan 8.250 nan 0.000 0.442 323 Y N 0.678 120.916 120.300 -0.103 0.000 2.181 323 Y HA -0.143 4.403 4.550 -0.007 0.000 0.288 323 Y C 2.478 178.301 175.900 -0.128 0.000 1.146 323 Y CA 0.575 58.598 58.100 -0.128 0.000 1.164 323 Y CB -1.114 37.256 38.460 -0.149 0.000 0.982 323 Y HN 0.055 nan 8.280 nan 0.000 0.515 324 A N 0.119 122.968 122.820 0.049 0.000 1.978 324 A HA -0.219 4.097 4.320 -0.007 0.000 0.220 324 A C 2.146 179.717 177.584 -0.021 0.000 1.170 324 A CA 1.792 53.821 52.037 -0.013 0.000 0.636 324 A CB -0.664 18.320 19.000 -0.027 0.000 0.810 324 A HN 0.536 nan 8.150 nan 0.000 0.448 325 E N -0.244 119.947 120.200 -0.014 0.000 2.077 325 E HA -0.105 4.241 4.350 -0.007 0.000 0.193 325 E C 2.329 178.917 176.600 -0.020 0.000 0.989 325 E CA 1.026 57.415 56.400 -0.018 0.000 0.800 325 E CB -0.302 29.388 29.700 -0.017 0.000 0.746 325 E HN 0.628 nan 8.360 nan 0.000 0.452 326 A N 0.875 123.683 122.820 -0.020 0.000 1.902 326 A HA -0.139 4.177 4.320 -0.007 0.000 0.217 326 A C 2.491 180.045 177.584 -0.050 0.000 1.181 326 A CA 1.108 53.124 52.037 -0.036 0.000 0.623 326 A CB -0.625 18.345 19.000 -0.049 0.000 0.818 326 A HN 0.123 nan 8.150 nan 0.000 0.443 327 V N -0.219 119.656 119.914 -0.065 0.000 2.407 327 V HA -0.226 3.890 4.120 -0.007 0.000 0.248 327 V C 2.725 178.794 176.094 -0.042 0.000 1.055 327 V CA 2.439 64.695 62.300 -0.073 0.000 1.049 327 V CB -1.196 30.565 31.823 -0.103 0.000 0.662 327 V HN 0.610 nan 8.190 nan 0.000 0.455 328 T N -0.187 114.347 114.554 -0.034 0.000 2.746 328 T HA -0.196 4.150 4.350 -0.007 0.000 0.267 328 T C 2.008 176.700 174.700 -0.015 0.000 1.039 328 T CA 1.467 63.554 62.100 -0.022 0.000 1.142 328 T CB -0.246 68.609 68.868 -0.021 0.000 0.866 328 T HN 0.473 nan 8.240 nan 0.000 0.444 329 R N 1.225 121.717 120.500 -0.014 0.000 2.148 329 R HA 0.204 4.540 4.340 -0.007 0.000 0.227 329 R C 1.247 177.549 176.300 0.004 0.000 1.103 329 R CA 0.403 56.499 56.100 -0.006 0.000 0.983 329 R CB -0.255 30.041 30.300 -0.007 0.000 0.874 329 R HN 0.282 nan 8.270 nan 0.000 0.451 330 A N 1.647 124.469 122.820 0.004 0.000 2.477 330 A HA 0.072 4.388 4.320 -0.007 0.000 0.246 330 A C 0.614 178.213 177.584 0.025 0.000 1.078 330 A CA -0.070 51.982 52.037 0.024 0.000 0.770 330 A CB 0.471 19.485 19.000 0.024 0.000 1.011 330 A HN 0.034 nan 8.150 nan 0.000 0.494 331 K N 0.410 120.832 120.400 0.036 0.000 2.334 331 K HA 0.085 4.401 4.320 -0.007 0.000 0.195 331 K C 0.530 177.143 176.600 0.021 0.000 1.045 331 K CA 0.705 57.005 56.287 0.021 0.000 1.004 331 K CB 0.276 32.782 32.500 0.009 0.000 0.837 331 K HN 0.832 nan 8.250 nan 0.000 0.510 332 Q N 0.120 119.956 119.800 0.059 0.000 2.345 332 Q HA 0.520 4.856 4.340 -0.007 0.000 0.275 332 Q C -1.622 174.497 176.000 0.198 0.000 1.063 332 Q CA -0.393 55.444 55.803 0.055 0.000 0.819 332 Q CB 1.927 30.596 28.738 -0.114 0.000 1.356 332 Q HN -0.012 nan 8.270 nan 0.000 0.418 333 I N 2.990 123.663 120.570 0.171 0.000 2.533 333 I HA 0.460 4.626 4.170 -0.007 0.000 0.290 333 I C -1.079 175.187 176.117 0.248 0.000 1.056 333 I CA -1.150 60.273 61.300 0.204 0.000 1.057 333 I CB 2.307 40.360 38.000 0.088 0.000 1.240 333 I HN 0.374 nan 8.210 nan 0.000 0.423 334 V N 5.273 125.376 119.914 0.315 0.000 2.384 334 V HA 0.333 4.449 4.120 -0.007 0.000 0.287 334 V C -1.220 175.032 176.094 0.264 0.000 1.020 334 V CA -0.381 62.091 62.300 0.286 0.000 0.850 334 V CB 1.847 33.888 31.823 0.364 0.000 0.987 334 V HN 0.611 nan 8.190 nan 0.000 0.436 335 W N 6.591 127.918 121.300 0.045 0.000 2.362 335 W HA 0.481 5.137 4.660 -0.006 0.000 0.316 335 W C -0.424 176.103 176.519 0.014 0.000 1.024 335 W CA -1.357 55.989 57.345 0.001 0.000 1.270 335 W CB 1.110 30.560 29.460 -0.017 0.000 1.273 335 W HN 0.541 nan 8.180 nan 0.000 0.424 336 N N 4.554 123.441 118.700 0.312 0.000 2.664 336 N HA 0.468 5.204 4.740 -0.007 0.000 0.257 336 N C -0.652 174.903 175.510 0.076 0.000 1.108 336 N CA 0.237 53.336 53.050 0.083 0.000 0.822 336 N CB 0.870 39.415 38.487 0.097 0.000 1.199 336 N HN 0.704 nan 8.380 nan 0.000 0.529 337 G N 3.326 112.086 108.800 -0.068 0.000 3.101 337 G HA2 -0.094 3.862 3.960 -0.007 0.000 0.672 337 G HA3 -0.094 3.862 3.960 -0.007 0.000 0.672 337 G C -3.379 171.608 174.900 0.145 0.000 1.331 337 G CA -0.977 44.132 45.100 0.015 0.000 0.925 337 G HN 0.288 nan 8.290 nan 0.000 0.596 338 P HA 0.380 nan 4.420 nan 0.000 0.274 338 P C 1.072 178.543 177.300 0.285 0.000 1.246 338 P CA 0.277 63.500 63.100 0.206 0.000 0.795 338 P CB 1.498 33.274 31.700 0.126 0.000 1.006 339 V N -2.787 117.327 119.914 0.335 0.000 3.483 339 V HA 0.561 4.677 4.120 -0.007 0.000 0.301 339 V C 0.574 176.854 176.094 0.310 0.000 1.389 339 V CA 0.586 63.059 62.300 0.288 0.000 1.101 339 V CB -0.286 31.710 31.823 0.288 0.000 0.971 339 V HN 0.739 nan 8.190 nan 0.000 0.434 340 G N -0.720 108.283 108.800 0.339 0.000 2.606 340 G HA2 0.487 4.443 3.960 -0.007 0.000 0.300 340 G HA3 0.487 4.443 3.960 -0.007 0.000 0.300 340 G C -1.235 173.867 174.900 0.336 0.000 1.360 340 G CA -0.274 45.032 45.100 0.343 0.000 0.783 340 G HN 0.152 nan 8.290 nan 0.000 0.484 341 V N 2.446 122.516 119.914 0.261 0.000 2.229 341 V HA 0.135 4.251 4.120 -0.007 0.000 0.245 341 V C 1.409 177.547 176.094 0.074 0.000 1.243 341 V CA 0.106 62.441 62.300 0.058 0.000 1.176 341 V CB -1.375 30.353 31.823 -0.158 0.000 1.323 341 V HN 0.639 nan 8.190 nan 0.000 0.499 342 F N 0.950 120.967 119.950 0.112 0.000 2.333 342 F HA -0.022 4.503 4.527 -0.005 0.000 0.300 342 F C 1.744 177.610 175.800 0.110 0.000 1.083 342 F CA 1.051 59.165 58.000 0.190 0.000 1.395 342 F CB -0.181 38.935 39.000 0.194 0.000 1.056 342 F HN 0.319 nan 8.300 nan 0.000 0.529 343 E N -0.123 119.583 120.200 -0.824 0.000 2.418 343 E HA -0.074 4.272 4.350 -0.007 0.000 0.197 343 E C -0.270 176.340 176.600 0.018 0.000 1.026 343 E CA 0.356 56.457 56.400 -0.500 0.000 0.862 343 E CB -0.144 29.146 29.700 -0.682 0.000 0.799 343 E HN 0.405 nan 8.360 nan 0.000 0.518 344 W N 1.042 122.330 121.300 -0.021 0.000 2.529 344 W HA 0.299 4.955 4.660 -0.006 0.000 0.321 344 W C 1.333 177.895 176.519 0.072 0.000 1.047 344 W CA -1.495 55.880 57.345 0.050 0.000 1.216 344 W CB 0.649 30.201 29.460 0.154 0.000 1.357 344 W HN -0.050 nan 8.180 nan 0.000 0.489 345 E N 1.973 122.304 120.200 0.219 0.000 2.118 345 E HA -0.182 4.164 4.350 -0.007 0.000 0.195 345 E C 1.933 178.538 176.600 0.009 0.000 0.992 345 E CA 1.715 58.190 56.400 0.124 0.000 0.804 345 E CB 0.176 29.912 29.700 0.059 0.000 0.741 345 E HN 0.482 nan 8.360 nan 0.000 0.458 346 A N 0.019 122.714 122.820 -0.208 0.000 2.172 346 A HA -0.093 4.223 4.320 -0.007 0.000 0.216 346 A C 1.083 178.285 177.584 -0.637 0.000 1.154 346 A CA 0.858 52.565 52.037 -0.550 0.000 0.701 346 A CB -0.208 18.233 19.000 -0.931 0.000 0.789 346 A HN 0.178 nan 8.150 nan 0.000 0.465 347 F N -2.306 117.783 119.950 0.232 0.000 2.724 347 F HA 0.467 4.990 4.527 -0.007 0.000 0.310 347 F C 1.689 177.645 175.800 0.261 0.000 1.107 347 F CA -0.102 58.044 58.000 0.244 0.000 1.218 347 F CB 0.020 39.180 39.000 0.265 0.000 1.042 347 F HN 0.139 nan 8.300 nan 0.000 0.540 348 A N -0.045 122.979 122.820 0.341 0.000 2.220 348 A HA 0.097 4.413 4.320 -0.007 0.000 0.211 348 A C 2.276 180.035 177.584 0.292 0.000 1.176 348 A CA 0.175 52.455 52.037 0.404 0.000 0.834 348 A CB -0.318 18.967 19.000 0.475 0.000 0.868 348 A HN 0.264 nan 8.150 nan 0.000 0.488 349 R N 0.110 120.722 120.500 0.187 0.000 2.081 349 R HA -0.117 4.219 4.340 -0.007 0.000 0.235 349 R C 2.133 178.483 176.300 0.084 0.000 1.131 349 R CA 1.668 57.821 56.100 0.089 0.000 0.960 349 R CB -0.569 29.769 30.300 0.064 0.000 0.856 349 R HN 0.425 nan 8.270 nan 0.000 0.436 350 G N -0.552 108.341 108.800 0.154 0.000 2.421 350 G HA2 -0.235 3.721 3.960 -0.007 0.000 0.216 350 G HA3 -0.235 3.721 3.960 -0.007 0.000 0.216 350 G C 1.310 176.324 174.900 0.189 0.000 1.171 350 G CA 1.255 46.450 45.100 0.158 0.000 0.775 350 G HN 0.352 nan 8.290 nan 0.000 0.543 351 T N 0.617 115.335 114.554 0.273 0.000 2.777 351 T HA -0.081 4.265 4.350 -0.007 0.000 0.266 351 T C 2.318 177.100 174.700 0.138 0.000 1.040 351 T CA 1.627 63.939 62.100 0.353 0.000 1.141 351 T CB -0.109 69.080 68.868 0.535 0.000 0.868 351 T HN 0.318 nan 8.240 nan 0.000 0.444 352 K N 1.989 122.284 120.400 -0.174 0.000 2.057 352 K HA 0.116 4.432 4.320 -0.007 0.000 0.207 352 K C 2.248 178.662 176.600 -0.311 0.000 1.049 352 K CA 1.460 57.341 56.287 -0.676 0.000 0.931 352 K CB -0.802 31.224 32.500 -0.790 0.000 0.714 352 K HN 0.237 nan 8.250 nan 0.000 0.440 353 A N 0.598 123.332 122.820 -0.144 0.000 1.902 353 A HA -0.103 4.213 4.320 -0.007 0.000 0.217 353 A C 2.118 179.664 177.584 -0.064 0.000 1.181 353 A CA 1.587 53.571 52.037 -0.088 0.000 0.623 353 A CB -0.760 18.211 19.000 -0.048 0.000 0.818 353 A HN 0.362 nan 8.150 nan 0.000 0.443 354 L N -1.062 120.141 121.223 -0.033 0.000 2.046 354 L HA -0.138 4.198 4.340 -0.007 0.000 0.208 354 L C 2.439 179.244 176.870 -0.110 0.000 1.077 354 L CA 2.654 57.421 54.840 -0.121 0.000 0.747 354 L CB -0.553 41.385 42.059 -0.200 0.000 0.896 354 L HN 0.486 nan 8.230 nan 0.000 0.432 355 M N -0.585 119.072 119.600 0.094 0.000 2.159 355 M HA -0.188 4.288 4.480 -0.007 0.000 0.263 355 M C 1.660 177.993 176.300 0.054 0.000 1.063 355 M CA 1.762 57.194 55.300 0.220 0.000 1.110 355 M CB -0.570 32.170 32.600 0.234 0.000 1.374 355 M HN 0.246 nan 8.290 nan 0.000 0.411 356 D N 0.151 120.528 120.400 -0.039 0.000 2.117 356 D HA -0.161 4.475 4.640 -0.007 0.000 0.197 356 D C 1.975 178.257 176.300 -0.030 0.000 0.987 356 D CA 1.314 55.288 54.000 -0.044 0.000 0.829 356 D CB -0.308 40.448 40.800 -0.075 0.000 0.961 356 D HN 0.472 nan 8.370 nan 0.000 0.460 357 E N 0.383 120.554 120.200 -0.048 0.000 2.072 357 E HA -0.079 4.267 4.350 -0.007 0.000 0.191 357 E C 2.449 179.023 176.600 -0.044 0.000 0.985 357 E CA 0.346 56.714 56.400 -0.054 0.000 0.801 357 E CB -0.280 29.373 29.700 -0.078 0.000 0.750 357 E HN 0.178 nan 8.360 nan 0.000 0.452 358 V N 1.310 121.198 119.914 -0.043 0.000 2.407 358 V HA -0.193 3.923 4.120 -0.007 0.000 0.248 358 V C 2.567 178.682 176.094 0.034 0.000 1.055 358 V CA 1.140 63.438 62.300 -0.003 0.000 1.049 358 V CB -0.463 31.391 31.823 0.052 0.000 0.662 358 V HN 0.050 nan 8.190 nan 0.000 0.455 359 V N -0.390 119.550 119.914 0.043 0.000 2.295 359 V HA -0.258 3.858 4.120 -0.007 0.000 0.246 359 V C 2.491 178.595 176.094 0.018 0.000 1.049 359 V CA 1.910 64.232 62.300 0.038 0.000 1.024 359 V CB -0.659 31.187 31.823 0.039 0.000 0.648 359 V HN 0.511 nan 8.190 nan 0.000 0.447 360 K N 0.084 120.486 120.400 0.005 0.000 2.074 360 K HA -0.219 4.097 4.320 -0.007 0.000 0.209 360 K C 2.287 178.886 176.600 -0.002 0.000 1.048 360 K CA 1.648 57.933 56.287 -0.003 0.000 0.926 360 K CB -0.443 32.049 32.500 -0.013 0.000 0.713 360 K HN 0.491 nan 8.250 nan 0.000 0.444 361 A N 0.843 123.661 122.820 -0.004 0.000 1.902 361 A HA -0.149 4.167 4.320 -0.007 0.000 0.217 361 A C 2.233 179.820 177.584 0.005 0.000 1.181 361 A CA 2.039 54.074 52.037 -0.003 0.000 0.623 361 A CB -0.849 18.145 19.000 -0.008 0.000 0.818 361 A HN 0.273 nan 8.150 nan 0.000 0.443 362 T N -0.123 114.439 114.554 0.012 0.000 2.746 362 T HA -0.099 4.247 4.350 -0.007 0.000 0.267 362 T C 2.159 176.866 174.700 0.012 0.000 1.039 362 T CA 1.642 63.752 62.100 0.016 0.000 1.142 362 T CB -0.297 68.585 68.868 0.023 0.000 0.866 362 T HN 0.441 nan 8.240 nan 0.000 0.444 363 S N 1.307 117.013 115.700 0.010 0.000 2.442 363 S HA -0.090 4.375 4.470 -0.007 0.000 0.236 363 S C 1.691 176.293 174.600 0.004 0.000 1.007 363 S CA 0.882 59.086 58.200 0.007 0.000 0.965 363 S CB -0.099 63.105 63.200 0.006 0.000 0.773 363 S HN 0.636 nan 8.310 nan 0.000 0.504 364 R N -0.168 120.334 120.500 0.002 0.000 2.586 364 R HA 0.524 4.860 4.340 -0.007 0.000 0.336 364 R C 0.955 177.255 176.300 -0.000 0.000 1.060 364 R CA 0.459 56.559 56.100 -0.000 0.000 1.079 364 R CB -0.354 29.944 30.300 -0.002 0.000 1.317 364 R HN 0.089 nan 8.270 nan 0.000 0.568 365 G N -0.254 108.548 108.800 0.002 0.000 2.175 365 G HA2 -0.313 3.643 3.960 -0.007 0.000 0.244 365 G HA3 -0.313 3.643 3.960 -0.007 0.000 0.244 365 G C 0.245 175.147 174.900 0.003 0.000 0.982 365 G CA -0.109 44.991 45.100 0.001 0.000 0.641 365 G HN 0.501 nan 8.290 nan 0.000 0.527 366 C N 2.216 121.520 119.300 0.006 0.000 2.642 366 C HA 0.484 4.940 4.460 -0.007 0.000 0.420 366 C C 1.140 176.139 174.990 0.014 0.000 1.349 366 C CA -0.788 58.235 59.018 0.010 0.000 1.821 366 C CB -0.770 26.978 27.740 0.012 0.000 2.637 366 C HN 0.366 nan 8.230 nan 0.000 0.605 367 I N 6.595 127.172 120.570 0.012 0.000 2.322 367 I HA 0.215 4.381 4.170 -0.007 0.000 0.292 367 I C 0.827 176.958 176.117 0.023 0.000 1.060 367 I CA 0.529 61.840 61.300 0.018 0.000 1.309 367 I CB 0.295 38.298 38.000 0.004 0.000 1.415 367 I HN 0.789 nan 8.210 nan 0.000 0.492 368 T N 5.245 119.812 114.554 0.021 0.000 2.791 368 T HA 0.737 5.083 4.350 -0.007 0.000 0.288 368 T C -0.379 174.320 174.700 -0.001 0.000 0.999 368 T CA -0.591 61.532 62.100 0.038 0.000 0.952 368 T CB 1.167 70.069 68.868 0.056 0.000 0.938 368 T HN 0.288 nan 8.240 nan 0.000 0.444 369 I N 3.706 124.283 120.570 0.011 0.000 2.389 369 I HA 0.446 4.612 4.170 -0.007 0.000 0.288 369 I C -0.862 175.271 176.117 0.027 0.000 0.999 369 I CA -1.092 60.167 61.300 -0.067 0.000 1.129 369 I CB 1.654 39.554 38.000 -0.165 0.000 1.288 369 I HN 0.526 nan 8.210 nan 0.000 0.444 370 I N 5.347 125.896 120.570 -0.036 0.000 2.362 370 I HA 0.410 4.576 4.170 -0.007 0.000 0.289 370 I C 0.789 176.882 176.117 -0.040 0.000 0.994 370 I CA 0.009 61.286 61.300 -0.039 0.000 1.158 370 I CB 1.585 39.514 38.000 -0.118 0.000 1.315 370 I HN 0.569 nan 8.210 nan 0.000 0.451 371 G N 4.225 113.029 108.800 0.006 0.000 2.544 371 G HA2 0.461 4.417 3.960 -0.007 0.000 0.242 371 G HA3 0.461 4.417 3.960 -0.007 0.000 0.242 371 G C 0.443 175.325 174.900 -0.030 0.000 1.247 371 G CA -0.202 44.944 45.100 0.077 0.000 0.840 371 G HN 0.796 nan 8.290 nan 0.000 0.578 372 G N -0.947 107.865 108.800 0.019 0.000 2.611 372 G HA2 0.588 4.544 3.960 -0.007 0.000 0.273 372 G HA3 0.588 4.544 3.960 -0.007 0.000 0.273 372 G C 0.942 175.806 174.900 -0.059 0.000 1.305 372 G CA 0.551 45.638 45.100 -0.021 0.000 1.010 372 G HN 2.000 nan 8.290 nan 0.000 0.509 373 G N -0.345 108.424 108.800 -0.052 0.000 2.512 373 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.254 373 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.254 373 G C 0.795 175.633 174.900 -0.103 0.000 1.199 373 G CA 0.736 45.804 45.100 -0.054 0.000 0.941 373 G HN 0.605 nan 8.290 nan 0.000 0.569 374 D N 0.172 120.510 120.400 -0.103 0.000 2.117 374 D HA -0.018 4.618 4.640 -0.007 0.000 0.197 374 D C 2.751 178.801 176.300 -0.416 0.000 0.987 374 D CA 2.229 56.140 54.000 -0.148 0.000 0.829 374 D CB -0.736 40.043 40.800 -0.035 0.000 0.961 374 D HN 0.497 nan 8.370 nan 0.000 0.460 375 T N 0.505 114.803 114.554 -0.427 0.000 2.746 375 T HA -0.129 4.217 4.350 -0.007 0.000 0.267 375 T C 2.047 176.460 174.700 -0.479 0.000 1.039 375 T CA 1.533 63.258 62.100 -0.625 0.000 1.142 375 T CB -0.361 68.054 68.868 -0.755 0.000 0.866 375 T HN 0.195 nan 8.240 nan 0.000 0.444 376 A N 1.450 124.084 122.820 -0.310 0.000 1.933 376 A HA -0.115 4.201 4.320 -0.007 0.000 0.218 376 A C 2.559 180.017 177.584 -0.211 0.000 1.175 376 A CA 1.940 53.844 52.037 -0.222 0.000 0.628 376 A CB -1.283 17.628 19.000 -0.149 0.000 0.814 376 A HN 0.471 nan 8.150 nan 0.000 0.444 377 T N -0.726 113.694 114.554 -0.223 0.000 2.746 377 T HA -0.193 4.153 4.350 -0.007 0.000 0.267 377 T C 1.873 176.396 174.700 -0.296 0.000 1.039 377 T CA 1.620 63.607 62.100 -0.188 0.000 1.142 377 T CB -0.669 68.144 68.868 -0.092 0.000 0.866 377 T HN 0.595 nan 8.240 nan 0.000 0.444 378 C N 0.872 119.883 119.300 -0.481 0.000 2.422 378 C HA -0.069 4.387 4.460 -0.007 0.000 0.279 378 C C 3.084 177.917 174.990 -0.262 0.000 1.305 378 C CA -0.173 58.492 59.018 -0.588 0.000 1.757 378 C CB -1.438 25.968 27.740 -0.557 0.000 1.962 378 C HN 0.665 nan 8.230 nan 0.000 0.499 379 C N 0.805 120.006 119.300 -0.165 0.000 2.425 379 C HA -0.052 4.404 4.460 -0.007 0.000 0.277 379 C C 3.095 178.059 174.990 -0.045 0.000 1.280 379 C CA 1.246 60.237 59.018 -0.045 0.000 1.744 379 C CB -1.487 26.208 27.740 -0.075 0.000 1.989 379 C HN 0.715 nan 8.230 nan 0.000 0.491 380 A N 0.654 123.412 122.820 -0.103 0.000 1.873 380 A HA -0.207 4.109 4.320 -0.007 0.000 0.215 380 A C 2.214 179.740 177.584 -0.098 0.000 1.186 380 A CA 1.951 53.939 52.037 -0.081 0.000 0.616 380 A CB -0.595 18.353 19.000 -0.087 0.000 0.823 380 A HN 0.684 nan 8.150 nan 0.000 0.442 381 K N -1.700 118.568 120.400 -0.219 0.000 2.063 381 K HA -0.176 4.140 4.320 -0.007 0.000 0.208 381 K C 1.036 177.503 176.600 -0.222 0.000 1.048 381 K CA 1.643 57.731 56.287 -0.333 0.000 0.928 381 K CB -0.192 31.900 32.500 -0.680 0.000 0.713 381 K HN 0.641 nan 8.250 nan 0.000 0.442 382 W N 1.152 122.468 121.300 0.027 0.000 3.239 382 W HA 0.212 4.868 4.660 -0.007 0.000 0.348 382 W C -0.059 176.472 176.519 0.020 0.000 1.183 382 W CA -0.481 56.883 57.345 0.031 0.000 1.819 382 W CB -1.053 28.432 29.460 0.040 0.000 1.091 382 W HN 0.258 nan 8.180 nan 0.000 0.629 383 N N 1.183 119.981 118.700 0.164 0.000 2.714 383 N HA -0.219 4.517 4.740 -0.007 0.000 0.253 383 N C 0.301 175.870 175.510 0.097 0.000 1.024 383 N CA 1.573 54.683 53.050 0.099 0.000 0.726 383 N CB -0.928 37.609 38.487 0.083 0.000 0.908 383 N HN 0.104 nan 8.380 nan 0.000 0.542 384 T N -3.938 110.676 114.554 0.099 0.000 3.145 384 T HA 0.256 4.602 4.350 -0.007 0.000 0.281 384 T C 1.100 175.825 174.700 0.042 0.000 1.003 384 T CA -0.036 62.114 62.100 0.084 0.000 0.901 384 T CB 0.201 69.143 68.868 0.124 0.000 1.112 384 T HN 0.299 nan 8.240 nan 0.000 0.535 385 E N 2.429 122.640 120.200 0.018 0.000 2.118 385 E HA -0.151 4.195 4.350 -0.007 0.000 0.195 385 E C 1.607 178.201 176.600 -0.009 0.000 0.992 385 E CA 1.530 57.922 56.400 -0.013 0.000 0.804 385 E CB 0.006 29.692 29.700 -0.023 0.000 0.741 385 E HN 0.721 nan 8.360 nan 0.000 0.458 386 D N 0.199 120.603 120.400 0.007 0.000 2.339 386 D HA -0.082 4.554 4.640 -0.007 0.000 0.217 386 D C 0.784 177.093 176.300 0.016 0.000 1.050 386 D CA 0.324 54.330 54.000 0.010 0.000 0.856 386 D CB 0.092 40.900 40.800 0.013 0.000 0.922 386 D HN 0.158 nan 8.370 nan 0.000 0.518 387 K N 0.867 121.280 120.400 0.022 0.000 2.440 387 K HA 0.216 4.532 4.320 -0.007 0.000 0.206 387 K C 0.672 177.289 176.600 0.030 0.000 1.025 387 K CA -0.302 56.002 56.287 0.027 0.000 1.135 387 K CB 0.781 33.303 32.500 0.035 0.000 0.856 387 K HN 0.156 nan 8.250 nan 0.000 0.502 388 V N -2.982 116.943 119.914 0.019 0.000 3.074 388 V HA 0.392 4.508 4.120 -0.007 0.000 0.314 388 V C 1.112 177.201 176.094 -0.009 0.000 1.117 388 V CA -0.846 61.464 62.300 0.016 0.000 1.014 388 V CB 1.863 33.701 31.823 0.025 0.000 1.057 388 V HN 0.014 nan 8.190 nan 0.000 0.438 389 S N 0.260 115.949 115.700 -0.017 0.000 2.356 389 S HA -0.058 4.408 4.470 -0.007 0.000 0.223 389 S C 0.494 175.029 174.600 -0.109 0.000 1.032 389 S CA 2.036 60.219 58.200 -0.027 0.000 1.005 389 S CB -0.430 62.770 63.200 -0.000 0.000 0.867 389 S HN 1.076 nan 8.310 nan 0.000 0.449 390 H N -0.416 118.430 119.070 -0.373 0.000 2.966 390 H HA 0.528 5.080 4.556 -0.006 0.000 0.347 390 H C -1.729 173.416 175.328 -0.305 0.000 1.048 390 H CA -0.591 55.143 56.048 -0.524 0.000 1.295 390 H CB 1.168 30.206 29.762 -1.208 0.000 1.744 390 H HN -0.088 nan 8.280 nan 0.000 0.513 391 V N 4.590 124.151 119.914 -0.587 0.000 2.311 391 V HA 0.262 4.378 4.120 -0.007 0.000 0.275 391 V C 0.525 176.225 176.094 -0.657 0.000 1.022 391 V CA -0.547 61.475 62.300 -0.463 0.000 0.830 391 V CB 0.962 32.638 31.823 -0.244 0.000 1.012 391 V HN 0.870 nan 8.190 nan 0.000 0.452 392 S N 3.377 118.767 115.700 -0.516 0.000 2.562 392 S HA 0.079 4.545 4.470 -0.007 0.000 0.281 392 S C 1.506 176.078 174.600 -0.047 0.000 1.333 392 S CA 0.267 58.328 58.200 -0.233 0.000 1.052 392 S CB 0.951 64.268 63.200 0.194 0.000 0.884 392 S HN 1.006 nan 8.310 nan 0.000 0.506 393 T N 1.292 115.897 114.554 0.084 0.000 3.100 393 T HA 0.267 4.613 4.350 -0.007 0.000 0.253 393 T C 0.715 175.535 174.700 0.200 0.000 1.118 393 T CA 0.267 62.450 62.100 0.137 0.000 1.058 393 T CB 0.019 68.996 68.868 0.182 0.000 0.953 393 T HN 0.652 nan 8.240 nan 0.000 0.515 394 G N -0.153 108.822 108.800 0.293 0.000 3.749 394 G HA2 0.544 4.500 3.960 -0.007 0.000 0.339 394 G HA3 0.544 4.500 3.960 -0.007 0.000 0.339 394 G C 0.813 175.735 174.900 0.037 0.000 1.513 394 G CA -0.214 44.985 45.100 0.166 0.000 1.035 394 G HN 0.280 nan 8.290 nan 0.000 0.480 395 G N 1.677 110.472 108.800 -0.007 0.000 2.433 395 G HA2 -0.001 3.955 3.960 -0.007 0.000 0.216 395 G HA3 -0.001 3.955 3.960 -0.007 0.000 0.216 395 G C 1.769 176.580 174.900 -0.148 0.000 1.186 395 G CA 1.410 46.481 45.100 -0.049 0.000 0.779 395 G HN 0.766 nan 8.290 nan 0.000 0.543 396 G N 1.047 109.721 108.800 -0.208 0.000 2.418 396 G HA2 0.039 3.995 3.960 -0.007 0.000 0.217 396 G HA3 0.039 3.995 3.960 -0.007 0.000 0.217 396 G C 2.058 176.517 174.900 -0.735 0.000 1.158 396 G CA 1.624 46.486 45.100 -0.397 0.000 0.771 396 G HN 0.672 nan 8.290 nan 0.000 0.545 397 A N 1.309 123.619 122.820 -0.850 0.000 1.902 397 A HA -0.032 4.284 4.320 -0.007 0.000 0.217 397 A C 2.768 180.053 177.584 -0.498 0.000 1.181 397 A CA 2.625 54.181 52.037 -0.802 0.000 0.623 397 A CB -0.791 17.669 19.000 -0.900 0.000 0.818 397 A HN 0.753 nan 8.150 nan 0.000 0.443 398 S N -0.002 115.479 115.700 -0.366 0.000 2.383 398 S HA -0.069 4.397 4.470 -0.007 0.000 0.227 398 S C 1.887 176.292 174.600 -0.325 0.000 1.026 398 S CA 1.353 59.288 58.200 -0.443 0.000 0.981 398 S CB -0.712 62.244 63.200 -0.406 0.000 0.818 398 S HN 0.435 nan 8.310 nan 0.000 0.472 399 L N 1.216 122.304 121.223 -0.225 0.000 2.083 399 L HA -0.071 4.265 4.340 -0.007 0.000 0.209 399 L C 3.044 179.833 176.870 -0.137 0.000 1.083 399 L CA 1.389 56.147 54.840 -0.136 0.000 0.752 399 L CB -0.550 41.440 42.059 -0.115 0.000 0.899 399 L HN 0.342 nan 8.230 nan 0.000 0.433 400 E N 0.228 120.314 120.200 -0.190 0.000 2.077 400 E HA -0.214 4.132 4.350 -0.007 0.000 0.193 400 E C 2.337 178.881 176.600 -0.093 0.000 0.989 400 E CA 1.165 57.489 56.400 -0.127 0.000 0.800 400 E CB -0.245 29.380 29.700 -0.126 0.000 0.746 400 E HN 0.512 nan 8.360 nan 0.000 0.452 401 L N 0.475 121.618 121.223 -0.133 0.000 2.046 401 L HA -0.163 4.173 4.340 -0.007 0.000 0.208 401 L C 2.570 179.425 176.870 -0.025 0.000 1.077 401 L CA 0.804 55.595 54.840 -0.083 0.000 0.747 401 L CB -0.420 41.547 42.059 -0.153 0.000 0.896 401 L HN 0.107 nan 8.230 nan 0.000 0.432 402 L N -0.655 120.544 121.223 -0.041 0.000 2.275 402 L HA -0.166 4.170 4.340 -0.007 0.000 0.215 402 L C 1.951 178.839 176.870 0.030 0.000 1.119 402 L CA 0.998 55.859 54.840 0.036 0.000 0.790 402 L CB -0.395 41.696 42.059 0.053 0.000 0.919 402 L HN 0.286 nan 8.230 nan 0.000 0.443 403 E N -0.095 120.106 120.200 0.001 0.000 2.489 403 E HA 0.067 4.413 4.350 -0.007 0.000 0.193 403 E C 1.286 177.893 176.600 0.013 0.000 1.057 403 E CA 0.439 56.843 56.400 0.006 0.000 0.866 403 E CB 0.270 29.966 29.700 -0.008 0.000 0.916 403 E HN 0.494 nan 8.360 nan 0.000 0.500 404 G N 2.031 110.842 108.800 0.019 0.000 2.136 404 G HA2 -0.298 3.658 3.960 -0.007 0.000 0.242 404 G HA3 -0.298 3.658 3.960 -0.007 0.000 0.242 404 G C -0.043 174.867 174.900 0.016 0.000 0.989 404 G CA 0.174 45.289 45.100 0.025 0.000 0.682 404 G HN 0.161 nan 8.290 nan 0.000 0.522 405 K N -0.395 120.008 120.400 0.004 0.000 2.095 405 K HA 0.703 5.019 4.320 -0.007 0.000 0.252 405 K C 0.376 176.977 176.600 0.002 0.000 0.977 405 K CA -0.807 55.481 56.287 0.001 0.000 0.900 405 K CB 2.646 35.142 32.500 -0.007 0.000 1.060 405 K HN 0.144 nan 8.250 nan 0.000 0.449 406 V N 2.709 122.626 119.914 0.005 0.000 2.953 406 V HA 0.244 4.360 4.120 -0.007 0.000 0.304 406 V C -0.680 175.416 176.094 0.003 0.000 1.073 406 V CA -0.488 61.818 62.300 0.009 0.000 1.064 406 V CB 0.635 32.464 31.823 0.010 0.000 1.047 406 V HN 0.489 nan 8.190 nan 0.000 0.478 407 L N 7.137 128.365 121.223 0.008 0.000 2.298 407 L HA 0.398 4.733 4.340 -0.007 0.000 0.284 407 L C -1.736 175.134 176.870 0.001 0.000 1.013 407 L CA -1.606 53.234 54.840 -0.001 0.000 0.824 407 L CB 1.722 43.781 42.059 -0.001 0.000 1.221 407 L HN 0.490 nan 8.230 nan 0.000 0.418 408 P HA -0.133 nan 4.420 nan 0.000 0.216 408 P C 1.524 178.823 177.300 -0.002 0.000 1.150 408 P CA 1.055 64.146 63.100 -0.015 0.000 0.837 408 P CB 0.328 32.004 31.700 -0.040 0.000 0.786 409 G N -0.405 108.391 108.800 -0.007 0.000 2.422 409 G HA2 -0.220 3.736 3.960 -0.007 0.000 0.218 409 G HA3 -0.220 3.736 3.960 -0.007 0.000 0.218 409 G C 1.579 176.511 174.900 0.054 0.000 1.146 409 G CA 0.718 45.831 45.100 0.023 0.000 0.769 409 G HN 0.168 nan 8.290 nan 0.000 0.547 410 V N 1.287 121.231 119.914 0.050 0.000 2.323 410 V HA -0.100 4.016 4.120 -0.007 0.000 0.244 410 V C 2.493 178.617 176.094 0.050 0.000 1.041 410 V CA 1.994 64.331 62.300 0.062 0.000 1.025 410 V CB -0.413 31.453 31.823 0.072 0.000 0.656 410 V HN 0.238 nan 8.190 nan 0.000 0.451 411 D N 0.861 121.283 120.400 0.036 0.000 2.178 411 D HA -0.109 4.527 4.640 -0.007 0.000 0.201 411 D C 2.055 178.371 176.300 0.026 0.000 0.980 411 D CA 1.526 55.542 54.000 0.027 0.000 0.842 411 D CB -0.277 40.534 40.800 0.017 0.000 0.948 411 D HN 0.459 nan 8.370 nan 0.000 0.472 412 A N 0.152 122.990 122.820 0.030 0.000 2.168 412 A HA 0.050 4.366 4.320 -0.007 0.000 0.215 412 A C 1.184 178.793 177.584 0.042 0.000 1.152 412 A CA 0.113 52.165 52.037 0.026 0.000 0.716 412 A CB -0.361 18.651 19.000 0.021 0.000 0.794 412 A HN 0.156 nan 8.150 nan 0.000 0.465 413 L N 0.181 121.442 121.223 0.062 0.000 2.472 413 L HA 0.132 4.468 4.340 -0.007 0.000 0.260 413 L C 0.638 177.538 176.870 0.050 0.000 1.209 413 L CA -0.531 54.355 54.840 0.078 0.000 0.817 413 L CB 0.475 42.580 42.059 0.077 0.000 1.106 413 L HN 0.057 nan 8.230 nan 0.000 0.479 414 S N 0.716 116.448 115.700 0.053 0.000 2.549 414 S HA 0.077 4.543 4.470 -0.007 0.000 0.283 414 S C -0.113 174.503 174.600 0.028 0.000 1.320 414 S CA -0.442 57.779 58.200 0.035 0.000 1.058 414 S CB -0.042 63.180 63.200 0.036 0.000 0.882 414 S HN 0.508 nan 8.310 nan 0.000 0.498 415 N N 1.434 120.147 118.700 0.021 0.000 2.503 415 N HA 0.366 5.102 4.740 -0.007 0.000 0.267 415 N C -0.025 175.494 175.510 0.016 0.000 1.214 415 N CA -0.366 52.694 53.050 0.017 0.000 0.959 415 N CB 0.752 39.247 38.487 0.013 0.000 1.142 415 N HN 0.532 nan 8.380 nan 0.000 0.455 416 I N 0.000 120.579 120.570 0.015 0.000 2.984 416 I HA 0.000 4.166 4.170 -0.007 0.000 0.288 416 I CA 0.000 61.309 61.300 0.014 0.000 1.566 416 I CB 0.000 38.008 38.000 0.013 0.000 1.214 416 I HN 0.000 nan 8.210 nan 0.000 0.494