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 1spa_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFAFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.146 176.300 -0.257 0.000 1.140 5 M CA 0.000 55.023 55.300 -0.461 0.000 0.988 5 M CB 0.000 32.469 32.600 -0.218 0.000 1.302 6 F N -1.341 118.608 119.950 -0.001 0.000 2.729 6 F HA 0.372 4.912 4.527 0.021 0.000 0.315 6 F C 1.696 177.496 175.800 -0.001 0.000 1.102 6 F CA -0.403 57.596 58.000 -0.001 0.000 1.204 6 F CB 0.031 39.031 39.000 -0.001 0.000 1.052 6 F HN 0.622 nan 8.300 nan 0.000 0.551 7 E N 1.009 121.278 120.200 0.115 0.000 2.204 7 E HA -0.098 4.265 4.350 0.020 0.000 0.194 7 E C 0.598 177.237 176.600 0.064 0.000 0.989 7 E CA 0.730 57.178 56.400 0.080 0.000 0.824 7 E CB -0.058 29.664 29.700 0.037 0.000 0.756 7 E HN 0.376 nan 8.360 nan 0.000 0.477 8 N N 0.563 119.299 118.700 0.060 0.000 2.546 8 N HA 0.146 4.898 4.740 0.020 0.000 0.286 8 N C -0.488 175.053 175.510 0.052 0.000 1.259 8 N CA -0.111 52.966 53.050 0.044 0.000 0.939 8 N CB 0.370 38.874 38.487 0.029 0.000 1.243 8 N HN 0.066 nan 8.380 nan 0.000 0.511 9 I N 1.115 121.727 120.570 0.070 0.000 2.371 9 I HA 0.025 4.207 4.170 0.020 0.000 0.290 9 I C 0.803 176.936 176.117 0.027 0.000 1.028 9 I CA 0.071 61.403 61.300 0.053 0.000 1.345 9 I CB 1.251 39.285 38.000 0.056 0.000 1.407 9 I HN -0.083 nan 8.210 nan 0.000 0.501 10 T N 6.166 120.730 114.554 0.016 0.000 2.901 10 T HA 0.275 4.638 4.350 0.020 0.000 0.301 10 T C 0.418 175.116 174.700 -0.004 0.000 1.012 10 T CA -0.457 61.647 62.100 0.006 0.000 1.135 10 T CB 0.738 69.608 68.868 0.004 0.000 0.936 10 T HN 0.700 nan 8.240 nan 0.000 0.539 11 A N 2.866 125.683 122.820 -0.005 0.000 2.425 11 A HA 0.608 4.940 4.320 0.020 0.000 0.242 11 A C 0.685 178.260 177.584 -0.015 0.000 1.077 11 A CA -0.467 51.564 52.037 -0.011 0.000 0.781 11 A CB -0.033 18.962 19.000 -0.008 0.000 1.020 11 A HN 1.034 nan 8.150 nan 0.000 0.494 12 A N 2.973 125.781 122.820 -0.020 0.000 2.388 12 A HA 0.589 4.921 4.320 0.020 0.000 0.257 12 A C -1.204 176.369 177.584 -0.019 0.000 1.095 12 A CA -1.109 50.914 52.037 -0.023 0.000 0.791 12 A CB -0.635 18.348 19.000 -0.029 0.000 1.029 12 A HN 0.826 nan 8.150 nan 0.000 0.489 13 P HA 0.311 nan 4.420 nan 0.000 0.272 13 P C -0.134 177.157 177.300 -0.015 0.000 1.248 13 P CA -0.070 63.020 63.100 -0.017 0.000 0.799 13 P CB 0.384 32.072 31.700 -0.020 0.000 0.997 14 A N 0.377 123.191 122.820 -0.010 0.000 2.363 14 A HA 0.230 4.562 4.320 0.020 0.000 0.270 14 A C 0.032 177.609 177.584 -0.012 0.000 1.121 14 A CA -0.275 51.759 52.037 -0.004 0.000 0.800 14 A CB -0.466 18.537 19.000 0.005 0.000 1.052 14 A HN 0.632 nan 8.150 nan 0.000 0.493 15 D N 2.920 123.312 120.400 -0.012 0.000 2.198 15 D HA 0.416 5.069 4.640 0.020 0.000 0.245 15 D C -0.989 175.309 176.300 -0.004 0.000 1.079 15 D CA -1.507 52.480 54.000 -0.022 0.000 0.854 15 D CB 1.284 42.066 40.800 -0.030 0.000 1.148 15 D HN 0.252 nan 8.370 nan 0.000 0.456 16 P HA -0.265 nan 4.420 nan 0.000 0.206 16 P C 1.634 178.955 177.300 0.036 0.000 1.142 16 P CA 0.927 64.037 63.100 0.017 0.000 0.946 16 P CB -0.002 31.706 31.700 0.013 0.000 0.777 17 I N -0.556 120.037 120.570 0.038 0.000 2.151 17 I HA -0.225 3.957 4.170 0.020 0.000 0.243 17 I C 2.578 178.723 176.117 0.046 0.000 1.080 17 I CA 1.279 62.608 61.300 0.049 0.000 1.339 17 I CB -1.329 36.702 38.000 0.053 0.000 1.039 17 I HN -0.107 nan 8.210 nan 0.000 0.409 18 L N 0.233 121.478 121.223 0.037 0.000 1.990 18 L HA -0.187 4.165 4.340 0.020 0.000 0.213 18 L C 2.448 179.344 176.870 0.043 0.000 1.072 18 L CA 2.109 56.968 54.840 0.032 0.000 0.755 18 L CB -1.235 40.836 42.059 0.021 0.000 0.889 18 L HN 0.466 nan 8.230 nan 0.000 0.432 19 G N -0.398 108.429 108.800 0.046 0.000 2.422 19 G HA2 -0.303 3.669 3.960 0.020 0.000 0.218 19 G HA3 -0.303 3.669 3.960 0.020 0.000 0.218 19 G C 1.512 176.469 174.900 0.095 0.000 1.146 19 G CA 0.806 45.941 45.100 0.058 0.000 0.769 19 G HN 0.334 nan 8.290 nan 0.000 0.547 20 L N 1.148 122.438 121.223 0.112 0.000 2.083 20 L HA 0.110 4.463 4.340 0.020 0.000 0.209 20 L C 3.153 180.140 176.870 0.195 0.000 1.083 20 L CA 1.910 56.864 54.840 0.189 0.000 0.752 20 L CB -0.493 41.673 42.059 0.178 0.000 0.899 20 L HN 0.251 nan 8.230 nan 0.000 0.433 21 A N 0.057 122.940 122.820 0.106 0.000 1.859 21 A HA -0.279 4.053 4.320 0.020 0.000 0.217 21 A C 1.951 179.604 177.584 0.114 0.000 1.198 21 A CA 2.141 54.222 52.037 0.074 0.000 0.629 21 A CB -1.040 17.980 19.000 0.033 0.000 0.830 21 A HN 0.701 nan 8.150 nan 0.000 0.446 22 D N -0.410 120.043 120.400 0.088 0.000 2.317 22 D HA -0.046 4.606 4.640 0.020 0.000 0.211 22 D C 1.891 178.235 176.300 0.073 0.000 0.966 22 D CA 0.629 54.670 54.000 0.069 0.000 0.876 22 D CB -0.287 40.539 40.800 0.044 0.000 0.927 22 D HN 0.470 nan 8.370 nan 0.000 0.519 23 L N -0.191 121.109 121.223 0.129 0.000 2.141 23 L HA -0.111 4.242 4.340 0.020 0.000 0.209 23 L C 2.297 179.256 176.870 0.149 0.000 1.094 23 L CA 0.717 55.667 54.840 0.184 0.000 0.763 23 L CB -0.253 41.973 42.059 0.279 0.000 0.908 23 L HN -0.079 nan 8.230 nan 0.000 0.437 24 F N 1.608 121.439 119.950 -0.198 0.000 2.084 24 F HA -0.171 4.368 4.527 0.020 0.000 0.296 24 F C 1.889 177.480 175.800 -0.348 0.000 1.111 24 F CA 0.935 58.492 58.000 -0.738 0.000 1.224 24 F CB -0.108 38.489 39.000 -0.671 0.000 0.991 24 F HN -0.006 nan 8.300 nan 0.000 0.471 25 R N 0.458 120.875 120.500 -0.138 0.000 3.657 25 R HA 0.599 4.951 4.340 0.020 0.000 0.220 25 R C -0.168 176.060 176.300 -0.119 0.000 1.548 25 R CA 0.540 56.532 56.100 -0.181 0.000 1.465 25 R CB 0.085 30.376 30.300 -0.015 0.000 1.330 25 R HN 0.254 nan 8.270 nan 0.000 0.707 26 A N 0.987 123.701 122.820 -0.176 0.000 2.642 26 A HA 0.025 4.357 4.320 0.020 0.000 0.164 26 A C -0.337 177.172 177.584 -0.126 0.000 1.594 26 A CA -0.385 51.591 52.037 -0.102 0.000 1.137 26 A CB 0.366 19.346 19.000 -0.034 0.000 1.353 26 A HN 0.476 nan 8.150 nan 0.000 0.450 27 D N 2.064 122.325 120.400 -0.232 0.000 2.422 27 D HA 0.175 4.827 4.640 0.020 0.000 0.227 27 D C 1.164 177.351 176.300 -0.189 0.000 1.190 27 D CA 0.170 54.060 54.000 -0.184 0.000 0.905 27 D CB 0.661 41.337 40.800 -0.207 0.000 1.034 27 D HN 0.606 nan 8.370 nan 0.000 0.507 28 E N 2.156 122.291 120.200 -0.109 0.000 2.401 28 E HA -0.220 4.142 4.350 0.020 0.000 0.204 28 E C -0.084 176.473 176.600 -0.072 0.000 1.036 28 E CA 0.669 57.020 56.400 -0.081 0.000 0.856 28 E CB 0.012 29.682 29.700 -0.050 0.000 0.770 28 E HN 0.122 nan 8.360 nan 0.000 0.527 29 R N 1.196 121.653 120.500 -0.072 0.000 2.215 29 R HA 0.222 4.575 4.340 0.020 0.000 0.337 29 R C -2.175 174.093 176.300 -0.054 0.000 1.010 29 R CA -3.209 52.866 56.100 -0.041 0.000 0.871 29 R CB 0.457 30.752 30.300 -0.009 0.000 1.134 29 R HN 0.017 nan 8.270 nan 0.000 0.477 30 P HA 0.066 nan 4.420 nan 0.000 0.252 30 P C 0.946 178.249 177.300 0.006 0.000 1.265 30 P CA 0.401 63.478 63.100 -0.039 0.000 0.775 30 P CB 0.307 31.989 31.700 -0.030 0.000 1.128 31 G N 0.429 109.245 108.800 0.026 0.000 2.712 31 G HA2 -0.091 3.881 3.960 0.020 0.000 0.212 31 G HA3 -0.091 3.881 3.960 0.020 0.000 0.212 31 G C 0.449 175.410 174.900 0.101 0.000 1.142 31 G CA -0.227 44.908 45.100 0.060 0.000 0.789 31 G HN 0.355 nan 8.290 nan 0.000 0.535 32 K N 0.084 120.547 120.400 0.105 0.000 2.518 32 K HA 0.295 4.628 4.320 0.020 0.000 0.276 32 K C -0.836 175.943 176.600 0.299 0.000 0.974 32 K CA 0.246 56.652 56.287 0.199 0.000 0.986 32 K CB 0.844 33.372 32.500 0.047 0.000 0.901 32 K HN 0.056 nan 8.250 nan 0.000 0.497 33 I N 1.809 122.609 120.570 0.382 0.000 2.478 33 I HA 0.097 4.279 4.170 0.020 0.000 0.287 33 I C -0.857 175.345 176.117 0.141 0.000 1.042 33 I CA -0.969 60.464 61.300 0.222 0.000 1.067 33 I CB 1.849 39.928 38.000 0.131 0.000 1.233 33 I HN 0.662 nan 8.210 nan 0.000 0.431 34 N N 7.110 125.636 118.700 -0.290 0.000 2.558 34 N HA 0.318 5.070 4.740 0.020 0.000 0.233 34 N C 0.166 175.517 175.510 -0.265 0.000 1.038 34 N CA -0.154 52.543 53.050 -0.587 0.000 0.934 34 N CB 0.776 38.426 38.487 -1.395 0.000 1.175 34 N HN 0.631 nan 8.380 nan 0.000 0.512 35 L N 1.514 122.682 121.223 -0.093 0.000 2.612 35 L HA 0.255 4.607 4.340 0.020 0.000 0.230 35 L C 1.735 178.584 176.870 -0.035 0.000 1.140 35 L CA 0.044 54.831 54.840 -0.087 0.000 0.896 35 L CB 0.227 42.245 42.059 -0.070 0.000 1.065 35 L HN 0.524 nan 8.230 nan 0.000 0.447 36 G N 0.331 109.116 108.800 -0.025 0.000 3.141 36 G HA2 0.009 3.981 3.960 0.020 0.000 0.218 36 G HA3 0.009 3.981 3.960 0.020 0.000 0.218 36 G C 1.451 176.365 174.900 0.022 0.000 1.170 36 G CA -0.165 44.955 45.100 0.033 0.000 0.769 36 G HN 0.483 nan 8.290 nan 0.000 0.546 37 I N -1.870 118.674 120.570 -0.043 0.000 2.286 37 I HA 0.078 4.260 4.170 0.020 0.000 0.248 37 I C 2.193 178.334 176.117 0.039 0.000 1.115 37 I CA 1.033 62.300 61.300 -0.055 0.000 1.392 37 I CB -0.384 37.529 38.000 -0.145 0.000 1.065 37 I HN 0.197 nan 8.210 nan 0.000 0.418 38 G N 0.815 109.741 108.800 0.209 0.000 2.257 38 G HA2 -0.261 3.711 3.960 0.020 0.000 0.267 38 G HA3 -0.261 3.711 3.960 0.020 0.000 0.267 38 G C 0.307 175.303 174.900 0.160 0.000 0.984 38 G CA 0.418 45.731 45.100 0.355 0.000 0.626 38 G HN 0.423 nan 8.290 nan 0.000 0.540 39 V N -0.006 119.878 119.914 -0.050 0.000 2.919 39 V HA 0.671 4.803 4.120 0.020 0.000 0.316 39 V C 0.181 176.235 176.094 -0.066 0.000 1.077 39 V CA -1.198 60.996 62.300 -0.178 0.000 0.977 39 V CB 1.822 33.360 31.823 -0.475 0.000 1.039 39 V HN 0.385 nan 8.190 nan 0.000 0.441 40 Y N 3.664 123.955 120.300 -0.016 0.000 2.397 40 Y HA 0.396 4.957 4.550 0.019 0.000 0.335 40 Y C 0.191 176.078 175.900 -0.022 0.000 1.213 40 Y CA 0.250 58.336 58.100 -0.022 0.000 1.391 40 Y CB 0.510 39.028 38.460 0.097 0.000 1.293 40 Y HN 0.523 nan 8.280 nan 0.000 0.557 41 K N 4.213 124.073 120.400 -0.901 0.000 2.426 41 K HA 0.230 4.562 4.320 0.020 0.000 0.251 41 K C -1.146 174.954 176.600 -0.833 0.000 0.941 41 K CA -1.049 54.880 56.287 -0.597 0.000 0.808 41 K CB 1.403 33.678 32.500 -0.376 0.000 1.265 41 K HN 0.760 nan 8.250 nan 0.000 0.432 42 D N 0.602 120.820 120.400 -0.303 0.000 2.478 42 D HA 0.022 4.674 4.640 0.020 0.000 0.274 42 D C 0.593 176.825 176.300 -0.114 0.000 1.234 42 D CA -0.227 53.700 54.000 -0.121 0.000 1.069 42 D CB 0.442 41.290 40.800 0.080 0.000 1.113 42 D HN 0.382 nan 8.370 nan 0.000 0.571 43 E N -1.045 119.132 120.200 -0.037 0.000 2.401 43 E HA -0.086 4.276 4.350 0.020 0.000 0.199 43 E C 1.326 177.907 176.600 -0.032 0.000 1.023 43 E CA 1.091 57.470 56.400 -0.035 0.000 0.859 43 E CB -0.368 29.329 29.700 -0.006 0.000 0.780 43 E HN 0.562 nan 8.360 nan 0.000 0.523 44 T N -1.124 113.415 114.554 -0.026 0.000 3.067 44 T HA 0.190 4.552 4.350 0.020 0.000 0.257 44 T C 1.359 176.040 174.700 -0.031 0.000 1.105 44 T CA 0.543 62.632 62.100 -0.018 0.000 1.104 44 T CB 0.419 69.287 68.868 -0.001 0.000 0.925 44 T HN 0.301 nan 8.240 nan 0.000 0.498 45 G N 1.264 110.027 108.800 -0.063 0.000 2.204 45 G HA2 -0.193 3.779 3.960 0.020 0.000 0.244 45 G HA3 -0.193 3.779 3.960 0.020 0.000 0.244 45 G C -0.247 174.614 174.900 -0.065 0.000 1.062 45 G CA -0.117 44.935 45.100 -0.080 0.000 0.798 45 G HN 0.547 nan 8.290 nan 0.000 0.496 46 K N -0.539 119.828 120.400 -0.055 0.000 2.477 46 K HA 0.718 5.051 4.320 0.020 0.000 0.255 46 K C -0.231 176.371 176.600 0.005 0.000 0.952 46 K CA -0.523 55.752 56.287 -0.019 0.000 0.826 46 K CB 1.515 34.021 32.500 0.010 0.000 1.331 46 K HN 0.006 nan 8.250 nan 0.000 0.437 47 T N 3.933 118.509 114.554 0.036 0.000 3.145 47 T HA 0.318 4.680 4.350 0.020 0.000 0.362 47 T C -2.324 172.472 174.700 0.160 0.000 1.340 47 T CA -1.362 60.809 62.100 0.117 0.000 1.069 47 T CB 0.255 69.162 68.868 0.066 0.000 1.129 47 T HN 0.360 nan 8.240 nan 0.000 0.585 48 P HA 0.330 nan 4.420 nan 0.000 0.274 48 P C -0.337 177.060 177.300 0.161 0.000 1.246 48 P CA -0.725 62.461 63.100 0.143 0.000 0.795 48 P CB 0.566 32.343 31.700 0.130 0.000 1.006 49 V N 2.336 122.328 119.914 0.129 0.000 2.439 49 V HA 0.272 4.404 4.120 0.020 0.000 0.282 49 V C -0.136 176.025 176.094 0.112 0.000 1.039 49 V CA -0.873 61.505 62.300 0.128 0.000 0.913 49 V CB 0.021 31.911 31.823 0.112 0.000 0.983 49 V HN 0.327 nan 8.190 nan 0.000 0.460 50 L N 5.729 127.022 121.223 0.117 0.000 2.506 50 L HA 0.087 4.439 4.340 0.020 0.000 0.281 50 L C 1.928 178.850 176.870 0.086 0.000 1.228 50 L CA 0.310 55.211 54.840 0.102 0.000 0.850 50 L CB 0.378 42.514 42.059 0.127 0.000 1.110 50 L HN 0.831 nan 8.230 nan 0.000 0.496 51 T N 0.101 114.696 114.554 0.068 0.000 2.684 51 T HA -0.182 4.180 4.350 0.020 0.000 0.267 51 T C 1.935 176.673 174.700 0.062 0.000 1.036 51 T CA 1.830 63.964 62.100 0.057 0.000 1.148 51 T CB -0.140 68.752 68.868 0.040 0.000 0.863 51 T HN 0.878 nan 8.240 nan 0.000 0.436 52 S N 1.847 117.593 115.700 0.076 0.000 2.400 52 S HA -0.131 4.351 4.470 0.020 0.000 0.232 52 S C 2.319 176.963 174.600 0.075 0.000 1.025 52 S CA 1.345 59.595 58.200 0.082 0.000 0.993 52 S CB -1.021 62.262 63.200 0.137 0.000 0.808 52 S HN 0.533 nan 8.310 nan 0.000 0.478 53 V N -0.377 119.590 119.914 0.088 0.000 2.649 53 V HA 0.122 4.254 4.120 0.020 0.000 0.248 53 V C 2.238 178.367 176.094 0.057 0.000 1.054 53 V CA 1.043 63.382 62.300 0.065 0.000 1.073 53 V CB -0.636 31.234 31.823 0.079 0.000 0.699 53 V HN 0.144 nan 8.190 nan 0.000 0.463 54 K N 1.180 121.621 120.400 0.069 0.000 2.063 54 K HA -0.165 4.167 4.320 0.020 0.000 0.208 54 K C 2.174 178.813 176.600 0.065 0.000 1.048 54 K CA 2.090 58.418 56.287 0.068 0.000 0.928 54 K CB -0.418 32.120 32.500 0.063 0.000 0.713 54 K HN 0.572 nan 8.250 nan 0.000 0.442 55 K N 0.150 120.584 120.400 0.057 0.000 2.057 55 K HA -0.070 4.263 4.320 0.020 0.000 0.207 55 K C 2.165 178.808 176.600 0.072 0.000 1.049 55 K CA 1.265 57.586 56.287 0.058 0.000 0.931 55 K CB -0.134 32.388 32.500 0.038 0.000 0.714 55 K HN 0.109 nan 8.250 nan 0.000 0.440 56 A N 1.518 124.365 122.820 0.045 0.000 1.930 56 A HA -0.176 4.157 4.320 0.020 0.000 0.217 56 A C 1.804 179.439 177.584 0.085 0.000 1.175 56 A CA 1.354 53.415 52.037 0.040 0.000 0.627 56 A CB -0.284 18.698 19.000 -0.030 0.000 0.815 56 A HN 0.284 nan 8.150 nan 0.000 0.443 57 E N -0.956 119.283 120.200 0.063 0.000 2.152 57 E HA -0.208 4.154 4.350 0.020 0.000 0.192 57 E C 2.155 178.819 176.600 0.107 0.000 0.983 57 E CA 1.141 57.600 56.400 0.097 0.000 0.818 57 E CB -0.087 29.698 29.700 0.141 0.000 0.758 57 E HN 0.657 nan 8.360 nan 0.000 0.467 58 Q N 0.355 120.214 119.800 0.099 0.000 2.119 58 Q HA -0.204 4.148 4.340 0.020 0.000 0.201 58 Q C 1.779 177.827 176.000 0.081 0.000 0.972 58 Q CA 1.363 57.213 55.803 0.077 0.000 0.847 58 Q CB -0.420 28.361 28.738 0.072 0.000 0.903 58 Q HN 0.399 nan 8.270 nan 0.000 0.433 59 Y N 0.022 120.324 120.300 0.003 0.000 2.165 59 Y HA -0.187 4.373 4.550 0.018 0.000 0.286 59 Y C 1.569 177.465 175.900 -0.006 0.000 1.155 59 Y CA 1.832 59.929 58.100 -0.005 0.000 1.164 59 Y CB -0.082 38.370 38.460 -0.013 0.000 0.978 59 Y HN 0.153 nan 8.280 nan 0.000 0.513 60 L N -0.863 120.366 121.223 0.010 0.000 2.109 60 L HA -0.145 4.207 4.340 0.020 0.000 0.207 60 L C 2.360 179.186 176.870 -0.074 0.000 1.086 60 L CA 0.867 55.676 54.840 -0.052 0.000 0.760 60 L CB -0.647 41.432 42.059 0.034 0.000 0.910 60 L HN 0.310 nan 8.230 nan 0.000 0.437 61 L N 0.045 121.254 121.223 -0.023 0.000 2.131 61 L HA -0.198 4.154 4.340 0.020 0.000 0.210 61 L C 2.261 179.084 176.870 -0.078 0.000 1.092 61 L CA 1.791 56.614 54.840 -0.028 0.000 0.759 61 L CB -0.334 41.725 42.059 0.000 0.000 0.903 61 L HN 0.195 nan 8.230 nan 0.000 0.435 62 E N -0.867 119.254 120.200 -0.131 0.000 2.112 62 E HA -0.115 4.247 4.350 0.020 0.000 0.190 62 E C 1.444 177.920 176.600 -0.206 0.000 0.979 62 E CA 1.145 57.452 56.400 -0.156 0.000 0.814 62 E CB 0.062 29.660 29.700 -0.171 0.000 0.762 62 E HN 0.533 nan 8.360 nan 0.000 0.460 63 N N -0.078 118.431 118.700 -0.318 0.000 2.322 63 N HA 0.034 4.787 4.740 0.020 0.000 0.181 63 N C -0.172 175.239 175.510 -0.166 0.000 1.088 63 N CA 0.131 53.006 53.050 -0.292 0.000 0.885 63 N CB 0.569 38.747 38.487 -0.515 0.000 1.013 63 N HN 0.087 nan 8.380 nan 0.000 0.472 67 T N 0.586 115.118 114.554 -0.037 0.000 2.889 67 T HA 0.566 4.928 4.350 0.020 0.000 0.315 67 T C -1.402 173.269 174.700 -0.048 0.000 1.291 67 T CA -0.600 61.475 62.100 -0.041 0.000 1.028 67 T CB 1.750 70.599 68.868 -0.032 0.000 1.235 67 T HN -0.058 nan 8.240 nan 0.000 0.491 68 K N 2.663 123.022 120.400 -0.069 0.000 2.593 68 K HA 0.227 4.560 4.320 0.020 0.000 0.208 68 K C 0.558 177.079 176.600 -0.133 0.000 1.051 68 K CA -0.307 55.929 56.287 -0.085 0.000 1.111 68 K CB -0.186 32.257 32.500 -0.096 0.000 0.849 68 K HN 0.605 nan 8.250 nan 0.000 0.479 69 N N 0.613 119.249 118.700 -0.107 0.000 2.416 69 N HA -0.039 4.713 4.740 0.020 0.000 0.246 69 N C -0.522 174.949 175.510 -0.065 0.000 1.260 69 N CA -0.133 52.842 53.050 -0.126 0.000 0.897 69 N CB 0.431 38.895 38.487 -0.037 0.000 1.110 69 N HN -0.082 nan 8.380 nan 0.000 0.439 70 Y N 1.509 121.809 120.300 0.000 0.000 2.805 70 Y HA -0.056 4.509 4.550 0.024 0.000 0.337 70 Y C 0.811 176.713 175.900 0.003 0.000 1.252 70 Y CA 0.232 58.334 58.100 0.003 0.000 1.515 70 Y CB 0.289 38.752 38.460 0.004 0.000 1.305 70 Y HN 0.279 nan 8.280 nan 0.000 0.600 71 L N 2.052 123.392 121.223 0.196 0.000 2.468 71 L HA 0.414 4.766 4.340 0.020 0.000 0.254 71 L C 1.213 178.142 176.870 0.098 0.000 1.171 71 L CA -0.569 54.337 54.840 0.109 0.000 0.809 71 L CB 0.220 42.322 42.059 0.071 0.000 1.155 71 L HN 0.809 nan 8.230 nan 0.000 0.473 72 G N -0.120 108.720 108.800 0.066 0.000 2.636 72 G HA2 0.252 4.225 3.960 0.020 0.000 0.246 72 G HA3 0.252 4.225 3.960 0.020 0.000 0.246 72 G C 0.935 175.855 174.900 0.033 0.000 1.216 72 G CA -0.482 44.642 45.100 0.040 0.000 0.854 72 G HN 0.661 nan 8.290 nan 0.000 0.572 73 I N 0.424 120.988 120.570 -0.011 0.000 2.236 73 I HA -0.224 3.958 4.170 0.020 0.000 0.249 73 I C 2.127 178.255 176.117 0.020 0.000 1.102 73 I CA 1.820 63.097 61.300 -0.039 0.000 1.365 73 I CB -0.057 37.874 38.000 -0.115 0.000 1.051 73 I HN 0.600 nan 8.210 nan 0.000 0.420 74 D N 0.136 120.576 120.400 0.067 0.000 2.340 74 D HA 0.187 4.839 4.640 0.020 0.000 0.220 74 D C 1.094 177.503 176.300 0.182 0.000 1.039 74 D CA 0.841 54.948 54.000 0.179 0.000 0.866 74 D CB -0.123 40.889 40.800 0.353 0.000 0.913 74 D HN 0.392 nan 8.370 nan 0.000 0.523 75 G N 1.147 110.017 108.800 0.117 0.000 2.587 75 G HA2 -0.195 3.777 3.960 0.020 0.000 0.212 75 G HA3 -0.195 3.777 3.960 0.020 0.000 0.212 75 G C -0.406 174.540 174.900 0.077 0.000 1.327 75 G CA -0.373 44.770 45.100 0.072 0.000 0.898 75 G HN 0.634 nan 8.290 nan 0.000 0.551 76 I N 0.310 120.904 120.570 0.039 0.000 2.416 76 I HA 0.611 4.793 4.170 0.020 0.000 0.288 76 I C -1.002 175.193 176.117 0.130 0.000 1.051 76 I CA -1.601 59.734 61.300 0.059 0.000 1.375 76 I CB 1.799 39.799 38.000 -0.000 0.000 1.407 76 I HN 0.249 nan 8.210 nan 0.000 0.516 77 P HA -0.140 nan 4.420 nan 0.000 0.216 77 P C 1.241 178.583 177.300 0.070 0.000 1.153 77 P CA 1.051 64.202 63.100 0.086 0.000 0.848 77 P CB 0.104 31.838 31.700 0.057 0.000 0.787 78 E N -1.257 118.977 120.200 0.056 0.000 2.118 78 E HA -0.198 4.164 4.350 0.020 0.000 0.195 78 E C 1.787 178.398 176.600 0.018 0.000 0.992 78 E CA 0.983 57.397 56.400 0.023 0.000 0.804 78 E CB -0.715 28.993 29.700 0.013 0.000 0.741 78 E HN 0.221 nan 8.360 nan 0.000 0.458 79 F N 0.642 120.539 119.950 -0.087 0.000 2.102 79 F HA -0.096 4.444 4.527 0.021 0.000 0.298 79 F C 2.163 177.921 175.800 -0.069 0.000 1.105 79 F CA 2.003 59.928 58.000 -0.126 0.000 1.239 79 F CB -0.671 38.248 39.000 -0.134 0.000 0.991 79 F HN 0.010 nan 8.300 nan 0.000 0.474 80 G N 0.440 109.247 108.800 0.012 0.000 2.446 80 G HA2 -0.325 3.647 3.960 0.020 0.000 0.217 80 G HA3 -0.325 3.647 3.960 0.020 0.000 0.217 80 G C 1.885 176.709 174.900 -0.127 0.000 1.168 80 G CA 0.854 45.916 45.100 -0.064 0.000 0.771 80 G HN 0.373 nan 8.290 nan 0.000 0.551 81 R N -0.381 120.072 120.500 -0.078 0.000 2.096 81 R HA -0.087 4.265 4.340 0.020 0.000 0.235 81 R C 2.525 178.766 176.300 -0.098 0.000 1.127 81 R CA 1.660 57.722 56.100 -0.063 0.000 0.968 81 R CB -0.584 29.695 30.300 -0.036 0.000 0.861 81 R HN 0.416 nan 8.270 nan 0.000 0.440 82 C N -0.219 118.984 119.300 -0.161 0.000 2.450 82 C HA -0.026 4.446 4.460 0.020 0.000 0.279 82 C C 2.904 177.772 174.990 -0.204 0.000 1.335 82 C CA 1.270 60.184 59.018 -0.173 0.000 1.749 82 C CB -0.758 26.851 27.740 -0.220 0.000 1.963 82 C HN 0.710 nan 8.230 nan 0.000 0.501 83 T N -1.027 113.337 114.554 -0.317 0.000 2.904 83 T HA -0.180 4.183 4.350 0.020 0.000 0.267 83 T C 1.623 176.211 174.700 -0.186 0.000 1.059 83 T CA 1.314 63.263 62.100 -0.252 0.000 1.137 83 T CB -0.404 68.255 68.868 -0.348 0.000 0.879 83 T HN 0.626 nan 8.240 nan 0.000 0.467 84 Q N 0.744 120.471 119.800 -0.123 0.000 2.084 84 Q HA -0.091 4.261 4.340 0.020 0.000 0.202 84 Q C 2.491 178.498 176.000 0.013 0.000 0.978 84 Q CA 1.731 57.527 55.803 -0.012 0.000 0.844 84 Q CB -0.126 28.674 28.738 0.105 0.000 0.898 84 Q HN 0.713 nan 8.270 nan 0.000 0.426 85 E N 0.458 120.653 120.200 -0.008 0.000 2.072 85 E HA -0.156 4.206 4.350 0.020 0.000 0.191 85 E C 2.051 178.638 176.600 -0.021 0.000 0.985 85 E CA 0.709 57.114 56.400 0.009 0.000 0.801 85 E CB -0.035 29.664 29.700 -0.001 0.000 0.750 85 E HN 0.310 nan 8.360 nan 0.000 0.452 86 L N 0.437 121.627 121.223 -0.055 0.000 2.083 86 L HA -0.211 4.142 4.340 0.020 0.000 0.209 86 L C 2.278 179.075 176.870 -0.121 0.000 1.083 86 L CA 0.596 55.404 54.840 -0.053 0.000 0.752 86 L CB -0.161 41.880 42.059 -0.032 0.000 0.899 86 L HN 0.202 nan 8.230 nan 0.000 0.433 87 L N -1.486 119.586 121.223 -0.250 0.000 2.049 87 L HA -0.109 4.243 4.340 0.020 0.000 0.203 87 L C 1.964 178.564 176.870 -0.450 0.000 1.074 87 L CA 1.864 56.443 54.840 -0.435 0.000 0.749 87 L CB -0.757 40.815 42.059 -0.813 0.000 0.907 87 L HN 0.079 nan 8.230 nan 0.000 0.439 88 F N -0.551 119.389 119.950 -0.016 0.000 2.749 88 F HA 0.515 5.055 4.527 0.021 0.000 0.300 88 F C 1.280 177.067 175.800 -0.022 0.000 1.103 88 F CA 0.010 57.992 58.000 -0.030 0.000 1.342 88 F CB -0.571 38.410 39.000 -0.033 0.000 1.098 88 F HN 0.100 nan 8.300 nan 0.000 0.586 89 G N 0.569 109.436 108.800 0.112 0.000 2.785 89 G HA2 -0.222 3.751 3.960 0.020 0.000 0.686 89 G HA3 -0.222 3.751 3.960 0.020 0.000 0.686 89 G C 0.329 175.273 174.900 0.072 0.000 1.155 89 G CA -0.689 44.454 45.100 0.073 0.000 0.760 89 G HN 0.100 nan 8.290 nan 0.000 0.624 90 K N 0.711 121.136 120.400 0.042 0.000 2.211 90 K HA 0.058 4.391 4.320 0.020 0.000 0.204 90 K C 2.339 178.956 176.600 0.028 0.000 1.047 90 K CA 2.009 58.314 56.287 0.031 0.000 0.935 90 K CB -0.034 32.478 32.500 0.019 0.000 0.728 90 K HN 1.016 nan 8.250 nan 0.000 0.452 91 G N -0.362 108.454 108.800 0.028 0.000 3.690 91 G HA2 0.030 4.002 3.960 0.020 0.000 0.283 91 G HA3 0.030 4.002 3.960 0.020 0.000 0.283 91 G C -0.352 174.558 174.900 0.017 0.000 1.057 91 G CA -0.379 44.732 45.100 0.018 0.000 0.821 91 G HN 0.164 nan 8.290 nan 0.000 0.526 92 S N 0.309 116.029 115.700 0.033 0.000 2.552 92 S HA 0.341 4.823 4.470 0.020 0.000 0.289 92 S C 1.908 176.495 174.600 -0.022 0.000 1.304 92 S CA 0.295 58.505 58.200 0.017 0.000 1.063 92 S CB 0.913 64.146 63.200 0.055 0.000 0.848 92 S HN 0.533 nan 8.310 nan 0.000 0.499 93 A N 6.104 128.901 122.820 -0.038 0.000 1.972 93 A HA -0.030 4.302 4.320 0.020 0.000 0.219 93 A C 2.141 179.671 177.584 -0.090 0.000 1.169 93 A CA 1.026 53.032 52.037 -0.052 0.000 0.635 93 A CB -0.581 18.390 19.000 -0.047 0.000 0.810 93 A HN 0.850 nan 8.150 nan 0.000 0.446 94 L N -0.635 120.495 121.223 -0.155 0.000 2.043 94 L HA -0.231 4.121 4.340 0.020 0.000 0.212 94 L C 2.464 179.221 176.870 -0.189 0.000 1.075 94 L CA 1.947 56.628 54.840 -0.265 0.000 0.752 94 L CB -0.914 40.788 42.059 -0.594 0.000 0.891 94 L HN 0.455 nan 8.230 nan 0.000 0.432 95 I N -0.572 119.933 120.570 -0.109 0.000 2.333 95 I HA -0.226 3.956 4.170 0.020 0.000 0.246 95 I C 2.013 178.106 176.117 -0.041 0.000 1.106 95 I CA 1.061 62.334 61.300 -0.045 0.000 1.411 95 I CB -0.311 37.697 38.000 0.013 0.000 1.082 95 I HN 0.308 nan 8.210 nan 0.000 0.420 96 N N 0.757 119.435 118.700 -0.037 0.000 2.244 96 N HA -0.164 4.589 4.740 0.020 0.000 0.183 96 N C 0.885 176.375 175.510 -0.032 0.000 1.016 96 N CA 1.012 54.045 53.050 -0.028 0.000 0.866 96 N CB 0.011 38.485 38.487 -0.022 0.000 0.980 96 N HN 0.254 nan 8.380 nan 0.000 0.430 97 D N 0.509 120.882 120.400 -0.044 0.000 2.349 97 D HA -0.003 4.650 4.640 0.020 0.000 0.224 97 D C 0.067 176.341 176.300 -0.044 0.000 1.029 97 D CA 0.465 54.440 54.000 -0.041 0.000 0.879 97 D CB 0.097 40.869 40.800 -0.046 0.000 0.906 97 D HN -0.080 nan 8.370 nan 0.000 0.528 98 K N 0.271 120.639 120.400 -0.053 0.000 3.257 98 K HA -0.225 4.107 4.320 0.020 0.000 0.270 98 K C 0.268 176.830 176.600 -0.064 0.000 0.984 98 K CA 0.206 56.460 56.287 -0.056 0.000 0.739 98 K CB -1.429 31.049 32.500 -0.038 0.000 1.351 98 K HN 0.231 nan 8.250 nan 0.000 0.463 99 R N -0.837 119.611 120.500 -0.086 0.000 2.334 99 R HA 0.317 4.670 4.340 0.020 0.000 0.216 99 R C 0.358 176.594 176.300 -0.105 0.000 0.905 99 R CA 0.584 56.634 56.100 -0.084 0.000 1.064 99 R CB 0.741 30.985 30.300 -0.093 0.000 1.046 99 R HN 0.314 nan 8.270 nan 0.000 0.508 100 A N 1.135 123.880 122.820 -0.124 0.000 2.355 100 A HA 0.697 5.029 4.320 0.020 0.000 0.324 100 A C -0.693 176.795 177.584 -0.161 0.000 1.117 100 A CA -0.774 51.196 52.037 -0.112 0.000 0.785 100 A CB 1.231 20.189 19.000 -0.069 0.000 1.254 100 A HN -0.010 nan 8.150 nan 0.000 0.453 101 R N 0.965 121.306 120.500 -0.264 0.000 2.574 101 R HA 0.594 4.946 4.340 0.020 0.000 0.288 101 R C -1.346 174.624 176.300 -0.550 0.000 1.004 101 R CA -0.354 55.388 56.100 -0.596 0.000 0.895 101 R CB 1.826 31.404 30.300 -1.204 0.000 1.191 101 R HN 0.738 nan 8.270 nan 0.000 0.444 102 T N 1.255 115.583 114.554 -0.376 0.000 2.797 102 T HA 0.641 5.003 4.350 0.020 0.000 0.279 102 T C -0.471 174.334 174.700 0.175 0.000 0.991 102 T CA -0.586 61.477 62.100 -0.061 0.000 0.979 102 T CB 1.789 70.652 68.868 -0.008 0.000 0.943 102 T HN 0.576 nan 8.240 nan 0.000 0.444 103 A N 3.187 126.226 122.820 0.366 0.000 2.287 103 A HA 0.538 4.871 4.320 0.020 0.000 0.317 103 A C 0.115 177.888 177.584 0.316 0.000 1.220 103 A CA -0.746 51.542 52.037 0.419 0.000 0.835 103 A CB 0.684 19.899 19.000 0.360 0.000 1.180 103 A HN 0.815 nan 8.150 nan 0.000 0.500 104 Q N 1.932 121.922 119.800 0.315 0.000 2.300 104 Q HA 0.337 4.689 4.340 0.020 0.000 0.280 104 Q C 0.055 176.144 176.000 0.148 0.000 1.033 104 Q CA 0.862 56.816 55.803 0.252 0.000 0.903 104 Q CB 0.387 29.133 28.738 0.014 0.000 1.195 104 Q HN 0.833 nan 8.270 nan 0.000 0.386 105 T N 0.748 115.361 114.554 0.098 0.000 2.865 105 T HA 0.519 4.881 4.350 0.020 0.000 0.294 105 T C -2.740 171.896 174.700 -0.106 0.000 1.119 105 T CA -2.166 59.962 62.100 0.046 0.000 1.007 105 T CB 1.613 70.549 68.868 0.114 0.000 1.225 105 T HN 0.406 nan 8.240 nan 0.000 0.515 106 P HA 0.398 nan 4.420 nan 0.000 0.244 106 P C 0.637 177.863 177.300 -0.122 0.000 1.723 106 P CA 1.128 64.073 63.100 -0.257 0.000 1.110 106 P CB -0.601 30.847 31.700 -0.420 0.000 1.972 107 G N 1.468 110.230 108.800 -0.063 0.000 2.707 107 G HA2 -0.037 3.935 3.960 0.020 0.000 0.686 107 G HA3 -0.037 3.935 3.960 0.020 0.000 0.686 107 G C 0.961 175.851 174.900 -0.017 0.000 1.315 107 G CA -0.562 44.519 45.100 -0.032 0.000 0.832 107 G HN 0.382 nan 8.290 nan 0.000 0.573 108 G N -1.101 107.673 108.800 -0.043 0.000 2.432 108 G HA2 0.071 4.043 3.960 0.020 0.000 0.219 108 G HA3 0.071 4.043 3.960 0.020 0.000 0.219 108 G C 1.840 176.756 174.900 0.026 0.000 1.135 108 G CA 2.416 47.492 45.100 -0.040 0.000 0.767 108 G HN 1.308 nan 8.290 nan 0.000 0.550 109 T N 0.961 115.550 114.554 0.058 0.000 2.746 109 T HA -0.035 4.328 4.350 0.020 0.000 0.267 109 T C 2.500 177.241 174.700 0.069 0.000 1.039 109 T CA 1.326 63.514 62.100 0.146 0.000 1.142 109 T CB -0.463 68.532 68.868 0.211 0.000 0.866 109 T HN 0.339 nan 8.240 nan 0.000 0.444 110 G N 1.072 109.891 108.800 0.031 0.000 2.422 110 G HA2 -0.013 3.959 3.960 0.020 0.000 0.218 110 G HA3 -0.013 3.959 3.960 0.020 0.000 0.218 110 G C 1.815 176.757 174.900 0.070 0.000 1.146 110 G CA 0.838 45.952 45.100 0.023 0.000 0.769 110 G HN 0.577 nan 8.290 nan 0.000 0.547 111 A N 0.720 123.582 122.820 0.069 0.000 1.877 111 A HA 0.075 4.407 4.320 0.020 0.000 0.216 111 A C 2.438 180.077 177.584 0.092 0.000 1.186 111 A CA 1.316 53.411 52.037 0.097 0.000 0.620 111 A CB -0.433 18.620 19.000 0.090 0.000 0.822 111 A HN 0.350 nan 8.150 nan 0.000 0.443 112 L N -1.136 120.127 121.223 0.066 0.000 2.012 112 L HA -0.205 4.147 4.340 0.020 0.000 0.210 112 L C 2.761 179.587 176.870 -0.074 0.000 1.073 112 L CA 1.816 56.656 54.840 -0.000 0.000 0.748 112 L CB -0.497 41.543 42.059 -0.033 0.000 0.891 112 L HN 0.373 nan 8.230 nan 0.000 0.431 113 R N 0.687 121.156 120.500 -0.052 0.000 2.096 113 R HA -0.147 4.205 4.340 0.020 0.000 0.235 113 R C 2.083 178.415 176.300 0.053 0.000 1.127 113 R CA 2.035 58.115 56.100 -0.034 0.000 0.968 113 R CB -0.891 29.409 30.300 0.000 0.000 0.861 113 R HN 0.387 nan 8.270 nan 0.000 0.440 114 V N -1.274 118.704 119.914 0.106 0.000 3.041 114 V HA 0.203 4.336 4.120 0.020 0.000 0.260 114 V C 1.846 178.050 176.094 0.183 0.000 1.105 114 V CA 1.320 63.701 62.300 0.136 0.000 1.125 114 V CB -0.332 31.574 31.823 0.138 0.000 0.730 114 V HN 0.311 nan 8.190 nan 0.000 0.479 115 A N 0.914 123.846 122.820 0.188 0.000 1.872 115 A HA 0.177 4.509 4.320 0.020 0.000 0.214 115 A C 2.562 180.346 177.584 0.333 0.000 1.187 115 A CA 1.999 54.207 52.037 0.285 0.000 0.614 115 A CB -1.192 17.966 19.000 0.264 0.000 0.826 115 A HN 0.986 nan 8.150 nan 0.000 0.442 116 A N 0.489 123.451 122.820 0.237 0.000 1.884 116 A HA -0.287 4.045 4.320 0.020 0.000 0.219 116 A C 1.761 179.452 177.584 0.177 0.000 1.197 116 A CA 2.210 54.385 52.037 0.229 0.000 0.637 116 A CB -0.814 18.218 19.000 0.053 0.000 0.827 116 A HN 0.485 nan 8.150 nan 0.000 0.450 117 D N -1.431 119.054 120.400 0.142 0.000 2.178 117 D HA -0.089 4.564 4.640 0.020 0.000 0.202 117 D C 1.621 178.000 176.300 0.131 0.000 0.974 117 D CA 1.269 55.335 54.000 0.111 0.000 0.841 117 D CB -0.459 40.395 40.800 0.089 0.000 0.953 117 D HN 0.529 nan 8.370 nan 0.000 0.478 118 F N 1.254 121.241 119.950 0.062 0.000 2.102 118 F HA -0.161 4.379 4.527 0.021 0.000 0.298 118 F C 1.897 177.740 175.800 0.073 0.000 1.105 118 F CA 0.923 58.958 58.000 0.059 0.000 1.239 118 F CB -0.283 38.762 39.000 0.075 0.000 0.991 118 F HN -0.148 nan 8.300 nan 0.000 0.474 119 L N 0.776 121.903 121.223 -0.160 0.000 2.072 119 L HA 0.055 4.408 4.340 0.020 0.000 0.205 119 L C 2.694 179.482 176.870 -0.137 0.000 1.079 119 L CA 1.845 56.549 54.840 -0.226 0.000 0.752 119 L CB -1.693 40.422 42.059 0.094 0.000 0.906 119 L HN 0.278 nan 8.230 nan 0.000 0.436 120 A N -1.363 121.440 122.820 -0.029 0.000 1.972 120 A HA -0.182 4.150 4.320 0.020 0.000 0.219 120 A C 2.162 179.719 177.584 -0.046 0.000 1.169 120 A CA 1.621 53.650 52.037 -0.012 0.000 0.635 120 A CB -0.253 18.765 19.000 0.030 0.000 0.810 120 A HN 0.275 nan 8.150 nan 0.000 0.446 121 K N -0.633 119.722 120.400 -0.075 0.000 2.354 121 K HA 0.208 4.541 4.320 0.020 0.000 0.194 121 K C 0.873 177.406 176.600 -0.111 0.000 1.038 121 K CA 0.365 56.612 56.287 -0.066 0.000 1.052 121 K CB 0.339 32.821 32.500 -0.031 0.000 0.861 121 K HN 0.441 nan 8.250 nan 0.000 0.535 122 N N -0.117 118.447 118.700 -0.227 0.000 2.171 122 N HA 0.041 4.794 4.740 0.020 0.000 0.212 122 N C -0.140 175.238 175.510 -0.220 0.000 1.184 122 N CA 0.367 53.269 53.050 -0.246 0.000 0.888 122 N CB 1.409 39.651 38.487 -0.409 0.000 1.038 122 N HN 0.224 nan 8.380 nan 0.000 0.517 123 T N -2.703 111.736 114.554 -0.192 0.000 2.804 123 T HA 0.243 4.606 4.350 0.020 0.000 0.290 123 T C 0.950 175.619 174.700 -0.051 0.000 1.099 123 T CA -0.549 61.487 62.100 -0.107 0.000 1.011 123 T CB 1.345 70.147 68.868 -0.109 0.000 1.291 123 T HN -0.075 nan 8.240 nan 0.000 0.523 124 S N -0.446 115.245 115.700 -0.014 0.000 2.607 124 S HA 0.143 4.625 4.470 0.020 0.000 0.224 124 S C 0.878 175.489 174.600 0.018 0.000 0.969 124 S CA -0.014 58.190 58.200 0.007 0.000 0.927 124 S CB -0.819 62.395 63.200 0.024 0.000 0.772 124 S HN 1.023 nan 8.310 nan 0.000 0.533 125 V N 1.201 121.124 119.914 0.016 0.000 2.546 125 V HA 0.579 4.712 4.120 0.020 0.000 0.284 125 V C -0.319 175.786 176.094 0.019 0.000 1.050 125 V CA -0.394 61.926 62.300 0.033 0.000 0.981 125 V CB 1.295 33.147 31.823 0.049 0.000 0.990 125 V HN 0.132 nan 8.190 nan 0.000 0.474 134 W N 3.733 124.857 121.300 -0.294 0.000 2.335 134 W HA 0.753 5.425 4.660 0.020 0.000 0.307 134 W C -0.198 176.260 176.519 -0.101 0.000 1.117 134 W CA -0.435 56.811 57.345 -0.164 0.000 1.228 134 W CB 1.705 31.033 29.460 -0.220 0.000 1.240 134 W HN 0.382 nan 8.180 nan 0.000 0.468 135 V N 3.813 123.706 119.914 -0.036 0.000 2.680 135 V HA 0.388 4.520 4.120 0.020 0.000 0.309 135 V C 0.162 175.951 176.094 -0.509 0.000 1.052 135 V CA -1.025 61.180 62.300 -0.159 0.000 0.908 135 V CB 1.938 33.692 31.823 -0.115 0.000 1.001 135 V HN 0.582 nan 8.190 nan 0.000 0.431 136 S N 3.501 118.738 115.700 -0.772 0.000 2.584 136 S HA 0.211 4.693 4.470 0.020 0.000 0.270 136 S C -0.070 174.292 174.600 -0.396 0.000 1.346 136 S CA -0.469 57.102 58.200 -1.048 0.000 1.018 136 S CB 0.396 63.153 63.200 -0.739 0.000 0.899 136 S HN 0.724 nan 8.310 nan 0.000 0.542 137 N N 2.668 121.230 118.700 -0.229 0.000 2.476 137 N HA 0.433 5.185 4.740 0.020 0.000 0.257 137 N C -2.685 172.907 175.510 0.137 0.000 0.970 137 N CA -1.773 51.270 53.050 -0.012 0.000 0.938 137 N CB 1.479 39.983 38.487 0.028 0.000 1.144 137 N HN 0.459 nan 8.380 nan 0.000 0.500 138 P HA 0.342 nan 4.420 nan 0.000 0.284 138 P C -0.673 176.703 177.300 0.126 0.000 1.287 138 P CA -0.397 62.790 63.100 0.144 0.000 0.824 138 P CB 1.823 33.664 31.700 0.236 0.000 1.180 139 S N -1.414 114.352 115.700 0.110 0.000 2.732 139 S HA 0.457 4.939 4.470 0.020 0.000 0.293 139 S C -1.682 173.039 174.600 0.202 0.000 1.159 139 S CA -0.671 57.634 58.200 0.175 0.000 0.847 139 S CB 0.266 63.630 63.200 0.273 0.000 1.169 139 S HN 0.482 nan 8.310 nan 0.000 0.501 140 W N 4.576 125.932 121.300 0.092 0.000 2.397 140 W HA 0.315 4.988 4.660 0.021 0.000 0.327 140 W C -1.876 174.539 176.519 -0.173 0.000 1.421 140 W CA -1.789 55.463 57.345 -0.154 0.000 1.288 140 W CB 0.341 29.584 29.460 -0.362 0.000 1.312 140 W HN 0.486 nan 8.180 nan 0.000 0.559 141 P HA -0.257 nan 4.420 nan 0.000 0.220 141 P C 1.108 178.014 177.300 -0.656 0.000 1.148 141 P CA 1.772 64.634 63.100 -0.397 0.000 0.803 141 P CB 0.246 31.792 31.700 -0.258 0.000 0.782 142 N N -0.560 117.319 118.700 -1.369 0.000 2.512 142 N HA -0.135 4.617 4.740 0.020 0.000 0.183 142 N C 1.622 176.605 175.510 -0.878 0.000 1.073 142 N CA 0.694 53.012 53.050 -1.219 0.000 0.911 142 N CB -0.756 36.714 38.487 -1.694 0.000 0.964 142 N HN 0.292 nan 8.380 nan 0.000 0.447 143 H N -0.007 118.714 119.070 -0.582 0.000 2.290 143 H HA -0.055 4.514 4.556 0.020 0.000 0.298 143 H C 1.867 177.196 175.328 0.001 0.000 1.087 143 H CA 1.549 57.513 56.048 -0.141 0.000 1.291 143 H CB 0.158 30.017 29.762 0.161 0.000 1.369 143 H HN 0.153 nan 8.280 nan 0.000 0.492 144 K N 0.474 120.951 120.400 0.128 0.000 2.052 144 K HA -0.191 4.142 4.320 0.020 0.000 0.215 144 K C 2.435 179.055 176.600 0.033 0.000 1.053 144 K CA 1.929 58.276 56.287 0.100 0.000 0.934 144 K CB -0.252 32.241 32.500 -0.012 0.000 0.717 144 K HN 0.195 nan 8.250 nan 0.000 0.450 145 S N 0.761 116.407 115.700 -0.091 0.000 2.399 145 S HA -0.099 4.383 4.470 0.020 0.000 0.231 145 S C 2.119 176.654 174.600 -0.109 0.000 1.022 145 S CA 1.110 59.246 58.200 -0.107 0.000 0.983 145 S CB -0.167 62.935 63.200 -0.164 0.000 0.803 145 S HN 0.064 nan 8.310 nan 0.000 0.480 146 V N 0.742 120.547 119.914 -0.183 0.000 2.379 146 V HA -0.070 4.063 4.120 0.020 0.000 0.245 146 V C 1.861 177.815 176.094 -0.234 0.000 1.044 146 V CA 1.487 63.630 62.300 -0.261 0.000 1.036 146 V CB -0.702 30.868 31.823 -0.421 0.000 0.664 146 V HN 0.397 nan 8.190 nan 0.000 0.453 147 F N 0.934 120.878 119.950 -0.009 0.000 2.206 147 F HA -0.051 4.489 4.527 0.021 0.000 0.298 147 F C 2.149 177.935 175.800 -0.023 0.000 1.090 147 F CA 1.545 59.540 58.000 -0.008 0.000 1.323 147 F CB -0.878 38.110 39.000 -0.021 0.000 1.028 147 F HN 0.220 nan 8.300 nan 0.000 0.492 148 N N -0.358 118.418 118.700 0.128 0.000 2.216 148 N HA -0.142 4.610 4.740 0.020 0.000 0.183 148 N C 1.923 177.449 175.510 0.027 0.000 1.017 148 N CA 1.150 54.234 53.050 0.056 0.000 0.861 148 N CB -0.179 38.317 38.487 0.015 0.000 0.986 148 N HN 0.178 nan 8.380 nan 0.000 0.428 149 S N 0.748 116.450 115.700 0.003 0.000 2.419 149 S HA -0.075 4.408 4.470 0.020 0.000 0.235 149 S C 2.010 176.616 174.600 0.011 0.000 1.019 149 S CA 0.910 59.107 58.200 -0.005 0.000 0.982 149 S CB -0.318 62.867 63.200 -0.025 0.000 0.789 149 S HN 0.355 nan 8.310 nan 0.000 0.490 150 A N 1.067 123.903 122.820 0.028 0.000 2.119 150 A HA 0.496 4.828 4.320 0.020 0.000 0.216 150 A C 1.919 179.532 177.584 0.048 0.000 1.152 150 A CA 0.897 52.962 52.037 0.047 0.000 0.708 150 A CB -1.027 18.024 19.000 0.085 0.000 0.805 150 A HN 1.512 nan 8.150 nan 0.000 0.460 151 G N -2.261 106.566 108.800 0.045 0.000 2.163 151 G HA2 -0.163 3.809 3.960 0.020 0.000 0.213 151 G HA3 -0.163 3.809 3.960 0.020 0.000 0.213 151 G C 0.078 174.998 174.900 0.033 0.000 0.991 151 G CA 0.225 45.343 45.100 0.030 0.000 0.653 151 G HN 0.382 nan 8.290 nan 0.000 0.518 155 V N 2.608 122.397 119.914 -0.208 0.000 2.384 155 V HA 0.539 4.672 4.120 0.020 0.000 0.287 155 V C 0.127 175.982 176.094 -0.398 0.000 1.020 155 V CA -0.764 61.357 62.300 -0.299 0.000 0.850 155 V CB 1.454 33.179 31.823 -0.164 0.000 0.987 155 V HN 0.361 nan 8.190 nan 0.000 0.436 156 R N 2.817 122.909 120.500 -0.679 0.000 2.758 156 R HA 0.656 5.008 4.340 0.020 0.000 0.265 156 R C -0.416 175.521 176.300 -0.604 0.000 1.016 156 R CA -0.674 54.930 56.100 -0.827 0.000 1.040 156 R CB 1.870 31.168 30.300 -1.671 0.000 1.152 156 R HN 0.728 nan 8.270 nan 0.000 0.503 157 E N 1.434 121.428 120.200 -0.343 0.000 2.227 157 E HA 0.312 4.675 4.350 0.020 0.000 0.268 157 E C -0.947 175.754 176.600 0.169 0.000 0.907 157 E CA -0.768 55.565 56.400 -0.112 0.000 0.786 157 E CB 2.049 31.693 29.700 -0.094 0.000 1.191 157 E HN 0.454 nan 8.360 nan 0.000 0.411 158 Y N -0.891 119.520 120.300 0.186 0.000 2.509 158 Y HA 0.744 5.306 4.550 0.020 0.000 0.341 158 Y C -0.179 175.818 175.900 0.161 0.000 1.038 158 Y CA -1.443 56.786 58.100 0.215 0.000 1.089 158 Y CB 0.779 39.343 38.460 0.172 0.000 1.241 158 Y HN 0.543 nan 8.280 nan 0.000 0.468 159 A N 1.902 124.904 122.820 0.303 0.000 2.406 159 A HA 0.358 4.690 4.320 0.020 0.000 0.243 159 A C -0.719 177.070 177.584 0.342 0.000 1.082 159 A CA 0.349 52.520 52.037 0.224 0.000 0.786 159 A CB -0.015 19.075 19.000 0.150 0.000 1.029 159 A HN 1.050 nan 8.150 nan 0.000 0.495 160 Y N -0.227 120.136 120.300 0.106 0.000 3.189 160 Y HA 0.206 4.769 4.550 0.021 0.000 0.213 160 Y C -0.225 175.749 175.900 0.122 0.000 1.032 160 Y CA 0.162 58.326 58.100 0.106 0.000 1.482 160 Y CB 0.032 38.484 38.460 -0.013 0.000 1.460 160 Y HN 0.675 nan 8.280 nan 0.000 0.398 161 Y N 2.984 123.334 120.300 0.082 0.000 2.308 161 Y HA 0.394 4.957 4.550 0.021 0.000 0.329 161 Y C -0.536 175.357 175.900 -0.011 0.000 1.111 161 Y CA -1.191 56.927 58.100 0.031 0.000 1.179 161 Y CB 0.704 39.282 38.460 0.196 0.000 1.201 161 Y HN 0.125 nan 8.280 nan 0.000 0.483 162 D N 5.282 125.367 120.400 -0.525 0.000 2.456 162 D HA 0.243 4.896 4.640 0.020 0.000 0.219 162 D C -0.463 175.158 176.300 -1.132 0.000 1.126 162 D CA -0.123 53.528 54.000 -0.580 0.000 0.890 162 D CB 0.503 41.088 40.800 -0.358 0.000 1.025 162 D HN 0.729 nan 8.370 nan 0.000 0.511 163 A N 3.882 126.090 122.820 -1.020 0.000 3.029 163 A HA 0.183 4.515 4.320 0.020 0.000 0.251 163 A C 0.970 178.211 177.584 -0.571 0.000 1.749 163 A CA 0.153 51.678 52.037 -0.854 0.000 1.386 163 A CB -0.192 18.638 19.000 -0.284 0.000 1.043 163 A HN 0.731 nan 8.150 nan 0.000 0.638 164 E N -1.215 118.549 120.200 -0.727 0.000 2.876 164 E HA -0.041 4.321 4.350 0.020 0.000 0.286 164 E C 0.488 176.730 176.600 -0.597 0.000 1.128 164 E CA -0.043 56.052 56.400 -0.509 0.000 2.071 164 E CB -0.105 29.407 29.700 -0.313 0.000 2.256 164 E HN 0.477 nan 8.360 nan 0.000 1.056 165 N N 0.560 118.991 118.700 -0.448 0.000 2.515 165 N HA 0.022 4.775 4.740 0.020 0.000 0.185 165 N C -0.831 174.530 175.510 -0.249 0.000 1.109 165 N CA 0.776 53.656 53.050 -0.283 0.000 0.903 165 N CB -0.060 38.331 38.487 -0.161 0.000 0.969 165 N HN 0.270 nan 8.380 nan 0.000 0.450 166 H N -1.837 117.052 119.070 -0.303 0.000 2.748 166 H HA -0.167 4.402 4.556 0.021 0.000 0.322 166 H C -0.035 175.300 175.328 0.012 0.000 1.208 166 H CA 1.116 57.048 56.048 -0.193 0.000 1.151 166 H CB -1.550 27.892 29.762 -0.534 0.000 1.505 166 H HN 0.088 nan 8.280 nan 0.000 0.429 167 T N -1.038 113.515 114.554 -0.002 0.000 2.647 167 T HA 0.450 4.812 4.350 0.020 0.000 0.295 167 T C -0.965 173.715 174.700 -0.033 0.000 1.126 167 T CA -0.884 61.242 62.100 0.043 0.000 1.040 167 T CB 1.309 70.180 68.868 0.005 0.000 1.472 167 T HN 0.235 nan 8.240 nan 0.000 0.500 168 L N 2.770 123.936 121.223 -0.094 0.000 2.315 168 L HA 0.345 4.697 4.340 0.020 0.000 0.283 168 L C -0.469 176.320 176.870 -0.136 0.000 1.089 168 L CA -0.161 54.530 54.840 -0.249 0.000 0.833 168 L CB 0.599 42.500 42.059 -0.263 0.000 1.170 168 L HN 0.667 nan 8.230 nan 0.000 0.442 169 D N 4.399 124.714 120.400 -0.143 0.000 2.483 169 D HA -0.043 4.609 4.640 0.020 0.000 0.220 169 D C 0.822 177.137 176.300 0.025 0.000 1.173 169 D CA -0.093 53.875 54.000 -0.055 0.000 0.964 169 D CB 0.338 41.094 40.800 -0.073 0.000 1.046 169 D HN 0.435 nan 8.370 nan 0.000 0.517 170 F N 2.361 122.246 119.950 -0.108 0.000 2.171 170 F HA -0.173 4.366 4.527 0.020 0.000 0.300 170 F C 1.699 177.485 175.800 -0.024 0.000 1.090 170 F CA 1.197 59.155 58.000 -0.071 0.000 1.293 170 F CB 0.253 39.214 39.000 -0.065 0.000 1.013 170 F HN 0.302 nan 8.300 nan 0.000 0.486 171 D N 0.184 120.597 120.400 0.021 0.000 2.084 171 D HA -0.187 4.465 4.640 0.020 0.000 0.194 171 D C 2.367 178.625 176.300 -0.071 0.000 0.990 171 D CA 1.660 55.631 54.000 -0.049 0.000 0.826 171 D CB -0.809 39.989 40.800 -0.004 0.000 0.971 171 D HN 0.326 nan 8.370 nan 0.000 0.453 172 A N 1.033 123.834 122.820 -0.033 0.000 2.019 172 A HA -0.113 4.220 4.320 0.020 0.000 0.219 172 A C 2.229 179.815 177.584 0.004 0.000 1.164 172 A CA 0.736 52.767 52.037 -0.010 0.000 0.644 172 A CB -0.652 18.351 19.000 0.006 0.000 0.805 172 A HN 0.259 nan 8.150 nan 0.000 0.449 173 L N 0.153 121.360 121.223 -0.028 0.000 2.007 173 L HA -0.099 4.253 4.340 0.020 0.000 0.205 173 L C 2.527 179.320 176.870 -0.128 0.000 1.073 173 L CA 2.052 56.895 54.840 0.004 0.000 0.744 173 L CB -0.346 41.709 42.059 -0.008 0.000 0.898 173 L HN 0.604 nan 8.230 nan 0.000 0.435 174 I N -2.401 117.996 120.570 -0.287 0.000 2.493 174 I HA -0.200 3.982 4.170 0.020 0.000 0.254 174 I C 1.894 177.949 176.117 -0.103 0.000 1.160 174 I CA 1.200 62.369 61.300 -0.218 0.000 1.445 174 I CB -0.651 37.179 38.000 -0.284 0.000 1.086 174 I HN 0.270 nan 8.210 nan 0.000 0.433 175 N N 1.996 120.646 118.700 -0.083 0.000 2.120 175 N HA -0.144 4.608 4.740 0.020 0.000 0.188 175 N C 2.083 177.583 175.510 -0.017 0.000 1.024 175 N CA 2.120 55.148 53.050 -0.036 0.000 0.852 175 N CB -0.418 38.058 38.487 -0.019 0.000 1.003 175 N HN 0.617 nan 8.380 nan 0.000 0.424 176 S N -0.013 115.689 115.700 0.004 0.000 2.461 176 S HA 0.063 4.546 4.470 0.020 0.000 0.228 176 S C 1.744 176.269 174.600 -0.125 0.000 1.005 176 S CA 0.198 58.420 58.200 0.037 0.000 0.942 176 S CB -0.144 63.155 63.200 0.165 0.000 0.776 176 S HN 0.066 nan 8.310 nan 0.000 0.514 177 L N 3.042 124.144 121.223 -0.203 0.000 2.275 177 L HA 0.111 4.463 4.340 0.020 0.000 0.215 177 L C 1.925 178.633 176.870 -0.271 0.000 1.119 177 L CA 1.108 55.673 54.840 -0.459 0.000 0.790 177 L CB -1.659 40.222 42.059 -0.297 0.000 0.919 177 L HN 0.442 nan 8.230 nan 0.000 0.443 178 N N -0.411 118.253 118.700 -0.060 0.000 2.453 178 N HA -0.191 4.561 4.740 0.020 0.000 0.183 178 N C 1.467 176.976 175.510 -0.002 0.000 1.041 178 N CA 0.448 53.525 53.050 0.046 0.000 0.900 178 N CB 0.234 38.733 38.487 0.020 0.000 0.961 178 N HN 0.486 nan 8.380 nan 0.000 0.443 179 E N 1.069 121.204 120.200 -0.109 0.000 2.427 179 E HA 0.023 4.385 4.350 0.020 0.000 0.196 179 E C 0.044 176.572 176.600 -0.119 0.000 1.028 179 E CA -0.150 56.232 56.400 -0.030 0.000 0.864 179 E CB 0.212 29.980 29.700 0.115 0.000 0.813 179 E HN 0.173 nan 8.360 nan 0.000 0.514 180 A N 1.559 124.023 122.820 -0.592 0.000 2.450 180 A HA 0.137 4.469 4.320 0.020 0.000 0.255 180 A C 0.048 177.644 177.584 0.019 0.000 1.096 180 A CA -0.228 51.331 52.037 -0.797 0.000 0.778 180 A CB 0.434 18.140 19.000 -2.155 0.000 1.031 180 A HN 0.227 nan 8.150 nan 0.000 0.494 181 Q N 0.683 120.572 119.800 0.148 0.000 2.171 181 Q HA 0.585 4.938 4.340 0.020 0.000 0.217 181 Q C 0.255 176.447 176.000 0.320 0.000 0.995 181 Q CA -0.587 55.356 55.803 0.233 0.000 0.979 181 Q CB 0.964 29.802 28.738 0.165 0.000 1.152 181 Q HN 0.871 nan 8.270 nan 0.000 0.525 182 A N -0.160 122.784 122.820 0.207 0.000 2.425 182 A HA 0.477 4.809 4.320 0.020 0.000 0.249 182 A C 0.917 178.608 177.584 0.179 0.000 1.084 182 A CA 0.571 52.719 52.037 0.185 0.000 0.781 182 A CB -0.545 18.506 19.000 0.085 0.000 1.019 182 A HN 0.924 nan 8.150 nan 0.000 0.490 183 G N 1.735 110.656 108.800 0.200 0.000 2.143 183 G HA2 -0.176 3.797 3.960 0.020 0.000 0.249 183 G HA3 -0.176 3.797 3.960 0.020 0.000 0.249 183 G C -0.161 174.840 174.900 0.168 0.000 0.981 183 G CA 0.357 45.556 45.100 0.165 0.000 0.665 183 G HN 0.815 nan 8.290 nan 0.000 0.528 184 D N -0.357 120.167 120.400 0.207 0.000 2.253 184 D HA 0.555 5.208 4.640 0.020 0.000 0.249 184 D C 0.524 176.917 176.300 0.155 0.000 1.049 184 D CA -0.253 53.860 54.000 0.188 0.000 0.929 184 D CB 1.816 42.752 40.800 0.226 0.000 1.176 184 D HN 0.096 nan 8.370 nan 0.000 0.437 185 V N 1.773 121.754 119.914 0.112 0.000 2.439 185 V HA 0.288 4.421 4.120 0.020 0.000 0.282 185 V C 0.043 176.122 176.094 -0.026 0.000 1.039 185 V CA -0.686 61.642 62.300 0.047 0.000 0.913 185 V CB 1.700 33.518 31.823 -0.009 0.000 0.983 185 V HN 0.270 nan 8.190 nan 0.000 0.460 186 V N 7.364 127.194 119.914 -0.140 0.000 2.384 186 V HA 0.524 4.656 4.120 0.020 0.000 0.287 186 V C -0.399 175.429 176.094 -0.443 0.000 1.020 186 V CA -0.578 61.503 62.300 -0.365 0.000 0.850 186 V CB 1.520 32.880 31.823 -0.771 0.000 0.987 186 V HN 0.800 nan 8.190 nan 0.000 0.436 187 L N 7.440 128.445 121.223 -0.363 0.000 2.281 187 L HA 0.537 4.889 4.340 0.020 0.000 0.285 187 L C -1.218 175.414 176.870 -0.397 0.000 1.074 187 L CA -0.134 54.531 54.840 -0.291 0.000 0.817 187 L CB 0.512 42.460 42.059 -0.185 0.000 1.168 187 L HN 0.646 nan 8.230 nan 0.000 0.434 188 F N 2.940 122.699 119.950 -0.319 0.000 2.480 188 F HA 0.376 4.915 4.527 0.020 0.000 0.329 188 F C 0.487 176.245 175.800 -0.069 0.000 1.091 188 F CA -0.630 57.239 58.000 -0.218 0.000 0.972 188 F CB 1.051 39.686 39.000 -0.608 0.000 1.150 188 F HN 0.380 nan 8.300 nan 0.000 0.467 189 H N 1.883 121.115 119.070 0.269 0.000 2.800 189 H HA 0.092 4.660 4.556 0.021 0.000 0.291 189 H C 1.047 176.623 175.328 0.413 0.000 1.076 189 H CA 0.133 56.344 56.048 0.273 0.000 1.452 189 H CB 1.400 31.305 29.762 0.239 0.000 1.461 189 H HN 0.997 nan 8.280 nan 0.000 0.488 190 G N 3.193 112.199 108.800 0.344 0.000 2.418 190 G HA2 -0.161 3.811 3.960 0.020 0.000 0.217 190 G HA3 -0.161 3.811 3.960 0.020 0.000 0.217 190 G C 0.578 175.612 174.900 0.223 0.000 1.158 190 G CA 1.084 46.149 45.100 -0.058 0.000 0.771 190 G HN 0.744 nan 8.290 nan 0.000 0.545 191 C N -4.825 114.787 119.300 0.520 0.000 3.311 191 C HA 0.534 5.006 4.460 0.020 0.000 0.325 191 C C 0.405 175.729 174.990 0.556 0.000 1.352 191 C CA -0.927 58.426 59.018 0.558 0.000 1.308 191 C CB 0.777 28.844 27.740 0.544 0.000 1.619 191 C HN 0.902 nan 8.230 nan 0.000 0.469 192 C N 1.462 121.022 119.300 0.434 0.000 3.896 192 C HA -0.151 4.321 4.460 0.020 0.000 0.300 192 C C 0.422 175.606 174.990 0.323 0.000 1.322 192 C CA 1.178 60.374 59.018 0.297 0.000 2.130 192 C CB -3.513 24.315 27.740 0.145 0.000 1.363 192 C HN 1.452 nan 8.230 nan 0.000 0.642 193 H N 1.731 120.977 119.070 0.293 0.000 3.237 193 H HA 0.155 4.724 4.556 0.021 0.000 0.270 193 H C 0.618 176.025 175.328 0.131 0.000 0.900 193 H CA 1.174 57.334 56.048 0.187 0.000 1.415 193 H CB 0.406 30.196 29.762 0.047 0.000 1.484 193 H HN 0.611 nan 8.280 nan 0.000 0.540 194 N N 6.434 125.096 118.700 -0.064 0.000 2.419 194 N HA 0.105 4.857 4.740 0.020 0.000 0.264 194 N C -2.146 173.215 175.510 -0.247 0.000 1.031 194 N CA -2.281 50.722 53.050 -0.078 0.000 0.951 194 N CB 1.458 39.995 38.487 0.082 0.000 1.101 194 N HN 0.467 nan 8.380 nan 0.000 0.488 195 P HA 0.121 nan 4.420 nan 0.000 0.275 195 P C 0.624 177.669 177.300 -0.425 0.000 1.310 195 P CA 0.359 63.249 63.100 -0.351 0.000 0.904 195 P CB 0.237 31.655 31.700 -0.470 0.000 1.381 196 T N -5.209 109.251 114.554 -0.156 0.000 3.060 196 T HA 0.274 4.636 4.350 0.020 0.000 0.249 196 T C 1.625 176.353 174.700 0.048 0.000 1.079 196 T CA 0.717 62.676 62.100 -0.235 0.000 1.013 196 T CB -1.135 67.631 68.868 -0.170 0.000 0.975 196 T HN 0.131 nan 8.240 nan 0.000 0.518 197 G N 1.632 110.523 108.800 0.151 0.000 2.212 197 G HA2 -0.258 3.714 3.960 0.020 0.000 0.267 197 G HA3 -0.258 3.714 3.960 0.020 0.000 0.267 197 G C 0.037 175.078 174.900 0.236 0.000 1.002 197 G CA 0.542 45.754 45.100 0.186 0.000 0.729 197 G HN 0.689 nan 8.290 nan 0.000 0.517 198 I N 1.210 121.944 120.570 0.273 0.000 2.315 198 I HA 0.379 4.561 4.170 0.020 0.000 0.291 198 I C -0.569 175.738 176.117 0.317 0.000 1.006 198 I CA -0.616 60.835 61.300 0.252 0.000 1.265 198 I CB 1.137 39.261 38.000 0.207 0.000 1.387 198 I HN -0.071 nan 8.210 nan 0.000 0.475 199 D N 7.466 128.017 120.400 0.252 0.000 2.433 199 D HA 0.416 5.069 4.640 0.020 0.000 0.236 199 D C -2.451 173.886 176.300 0.060 0.000 1.026 199 D CA -1.517 52.652 54.000 0.282 0.000 0.884 199 D CB 1.620 42.644 40.800 0.373 0.000 1.384 199 D HN 0.131 nan 8.370 nan 0.000 0.477 200 P HA 0.053 nan 4.420 nan 0.000 0.266 200 P C 0.086 177.183 177.300 -0.339 0.000 1.195 200 P CA 0.004 62.779 63.100 -0.541 0.000 0.768 200 P CB 0.488 31.387 31.700 -1.334 0.000 0.838 201 T N 1.704 116.113 114.554 -0.241 0.000 2.788 201 T HA 0.066 4.428 4.350 0.020 0.000 0.287 201 T C 1.201 175.932 174.700 0.052 0.000 1.007 201 T CA -0.486 61.586 62.100 -0.047 0.000 1.005 201 T CB 0.083 68.904 68.868 -0.078 0.000 1.012 201 T HN 0.203 nan 8.240 nan 0.000 0.530 202 L N 1.790 123.126 121.223 0.187 0.000 2.191 202 L HA 0.057 4.409 4.340 0.020 0.000 0.212 202 L C 2.325 179.296 176.870 0.169 0.000 1.103 202 L CA 1.851 56.855 54.840 0.274 0.000 0.769 202 L CB -0.875 41.298 42.059 0.191 0.000 0.908 202 L HN 0.786 nan 8.230 nan 0.000 0.438 203 E N -1.118 119.111 120.200 0.049 0.000 2.107 203 E HA -0.219 4.143 4.350 0.020 0.000 0.191 203 E C 2.088 178.661 176.600 -0.046 0.000 0.982 203 E CA 1.124 57.527 56.400 0.004 0.000 0.809 203 E CB -0.052 29.626 29.700 -0.038 0.000 0.756 203 E HN 0.657 nan 8.360 nan 0.000 0.459 204 Q N -0.103 119.571 119.800 -0.211 0.000 2.020 204 Q HA -0.176 4.177 4.340 0.020 0.000 0.202 204 Q C 1.908 177.916 176.000 0.013 0.000 0.982 204 Q CA 1.524 57.089 55.803 -0.397 0.000 0.838 204 Q CB -0.231 28.009 28.738 -0.831 0.000 0.899 204 Q HN 0.377 nan 8.270 nan 0.000 0.423 205 W N 1.140 122.508 121.300 0.114 0.000 2.318 205 W HA -0.273 4.399 4.660 0.021 0.000 0.313 205 W C 2.448 179.078 176.519 0.185 0.000 1.221 205 W CA 1.105 58.586 57.345 0.227 0.000 1.266 205 W CB -0.100 29.486 29.460 0.211 0.000 1.150 205 W HN 0.276 nan 8.180 nan 0.000 0.496 206 Q N -0.791 119.206 119.800 0.329 0.000 2.124 206 Q HA -0.200 4.152 4.340 0.020 0.000 0.202 206 Q C 2.352 178.413 176.000 0.102 0.000 0.977 206 Q CA 2.409 58.306 55.803 0.158 0.000 0.850 206 Q CB -0.387 28.417 28.738 0.110 0.000 0.901 206 Q HN 0.346 nan 8.270 nan 0.000 0.429 207 T N -1.779 112.865 114.554 0.150 0.000 3.023 207 T HA -0.039 4.323 4.350 0.020 0.000 0.266 207 T C 1.618 176.417 174.700 0.165 0.000 1.093 207 T CA 0.277 62.465 62.100 0.147 0.000 1.129 207 T CB 0.019 69.016 68.868 0.214 0.000 0.899 207 T HN 0.049 nan 8.240 nan 0.000 0.491 208 L N 1.471 122.851 121.223 0.261 0.000 2.109 208 L HA 0.390 4.742 4.340 0.020 0.000 0.207 208 L C 2.980 179.830 176.870 -0.033 0.000 1.086 208 L CA 1.296 56.312 54.840 0.294 0.000 0.760 208 L CB -1.434 40.926 42.059 0.503 0.000 0.910 208 L HN 0.428 nan 8.230 nan 0.000 0.437 209 A N -1.340 121.223 122.820 -0.428 0.000 1.877 209 A HA -0.267 4.065 4.320 0.020 0.000 0.216 209 A C 2.238 179.613 177.584 -0.347 0.000 1.186 209 A CA 1.731 53.212 52.037 -0.928 0.000 0.620 209 A CB -0.484 18.179 19.000 -0.563 0.000 0.822 209 A HN 0.500 nan 8.150 nan 0.000 0.443 210 Q N -1.261 118.428 119.800 -0.185 0.000 2.020 210 Q HA -0.145 4.207 4.340 0.020 0.000 0.202 210 Q C 2.085 178.000 176.000 -0.141 0.000 0.982 210 Q CA 1.640 57.363 55.803 -0.133 0.000 0.838 210 Q CB -0.261 28.436 28.738 -0.068 0.000 0.899 210 Q HN 0.595 nan 8.270 nan 0.000 0.423 211 L N -0.079 121.086 121.223 -0.096 0.000 2.275 211 L HA -0.100 4.252 4.340 0.020 0.000 0.215 211 L C 2.220 178.882 176.870 -0.346 0.000 1.119 211 L CA 1.188 55.934 54.840 -0.156 0.000 0.790 211 L CB -0.249 41.786 42.059 -0.038 0.000 0.919 211 L HN 0.072 nan 8.230 nan 0.000 0.443 212 S N -1.786 113.819 115.700 -0.158 0.000 2.371 212 S HA -0.140 4.342 4.470 0.020 0.000 0.224 212 S C 1.944 176.451 174.600 -0.156 0.000 1.029 212 S CA 1.381 59.522 58.200 -0.098 0.000 0.978 212 S CB -0.229 63.285 63.200 0.523 0.000 0.833 212 S HN 0.331 nan 8.310 nan 0.000 0.466 213 V N 1.170 120.963 119.914 -0.201 0.000 2.548 213 V HA -0.046 4.086 4.120 0.020 0.000 0.249 213 V C 2.290 178.229 176.094 -0.259 0.000 1.055 213 V CA 2.258 64.383 62.300 -0.292 0.000 1.065 213 V CB -0.544 31.023 31.823 -0.426 0.000 0.681 213 V HN 0.511 nan 8.190 nan 0.000 0.462 214 E N 0.342 120.371 120.200 -0.284 0.000 2.033 214 E HA -0.224 4.139 4.350 0.020 0.000 0.199 214 E C 2.026 178.422 176.600 -0.339 0.000 1.011 214 E CA 1.614 57.849 56.400 -0.274 0.000 0.815 214 E CB -0.061 29.479 29.700 -0.267 0.000 0.755 214 E HN 0.389 nan 8.360 nan 0.000 0.451 215 K N -1.069 118.975 120.400 -0.593 0.000 2.444 215 K HA 0.144 4.477 4.320 0.020 0.000 0.193 215 K C 0.648 176.960 176.600 -0.479 0.000 1.024 215 K CA 0.731 56.582 56.287 -0.727 0.000 1.077 215 K CB 0.572 32.121 32.500 -1.586 0.000 0.833 215 K HN 0.315 nan 8.250 nan 0.000 0.517 216 G N 2.054 110.674 108.800 -0.300 0.000 2.298 216 G HA2 -0.228 3.744 3.960 0.020 0.000 0.287 216 G HA3 -0.228 3.744 3.960 0.020 0.000 0.287 216 G C -0.397 174.628 174.900 0.208 0.000 1.075 216 G CA -0.110 44.977 45.100 -0.023 0.000 0.960 216 G HN 0.322 nan 8.290 nan 0.000 0.502 217 W N -1.014 120.365 121.300 0.130 0.000 2.184 217 W HA 0.575 5.247 4.660 0.020 0.000 0.338 217 W C 0.889 177.529 176.519 0.200 0.000 1.257 217 W CA -1.282 56.144 57.345 0.134 0.000 1.243 217 W CB 0.813 30.373 29.460 0.167 0.000 1.122 217 W HN 0.135 nan 8.180 nan 0.000 0.585 218 L N 5.309 126.762 121.223 0.382 0.000 2.262 218 L HA 0.377 4.729 4.340 0.020 0.000 0.288 218 L C -2.328 174.700 176.870 0.263 0.000 1.035 218 L CA -1.953 53.067 54.840 0.300 0.000 0.820 218 L CB 0.959 43.154 42.059 0.227 0.000 1.204 218 L HN 0.030 nan 8.230 nan 0.000 0.424 219 P HA 0.182 nan 4.420 nan 0.000 0.271 219 P C -0.924 176.471 177.300 0.158 0.000 1.216 219 P CA -0.075 63.158 63.100 0.222 0.000 0.771 219 P CB 0.879 32.721 31.700 0.238 0.000 0.864 220 L N 4.303 125.557 121.223 0.051 0.000 2.342 220 L HA 0.459 4.812 4.340 0.020 0.000 0.276 220 L C -0.911 175.956 176.870 -0.004 0.000 0.997 220 L CA -0.820 54.078 54.840 0.097 0.000 0.838 220 L CB 0.398 42.518 42.059 0.101 0.000 1.224 220 L HN 0.230 nan 8.230 nan 0.000 0.416 221 F N 3.258 123.228 119.950 0.034 0.000 2.420 221 F HA 0.456 4.995 4.527 0.020 0.000 0.352 221 F C 0.796 176.596 175.800 0.001 0.000 1.108 221 F CA -0.172 57.809 58.000 -0.033 0.000 1.162 221 F CB 1.522 40.402 39.000 -0.200 0.000 1.118 221 F HN 0.458 nan 8.300 nan 0.000 0.510 222 A N 5.075 127.953 122.820 0.097 0.000 2.249 222 A HA 0.563 4.895 4.320 0.020 0.000 0.314 222 A C -1.276 176.418 177.584 0.184 0.000 1.290 222 A CA -0.283 51.789 52.037 0.059 0.000 0.893 222 A CB 0.053 18.959 19.000 -0.156 0.000 1.165 222 A HN 0.551 nan 8.150 nan 0.000 0.530 223 F N 3.308 123.255 119.950 -0.005 0.000 2.564 223 F HA 0.525 5.066 4.527 0.023 0.000 0.361 223 F C 0.728 176.441 175.800 -0.144 0.000 1.161 223 F CA -1.325 56.664 58.000 -0.017 0.000 1.198 223 F CB 1.046 40.020 39.000 -0.044 0.000 1.424 223 F HN 0.623 nan 8.300 nan 0.000 0.517 224 A N 3.191 125.986 122.820 -0.042 0.000 2.267 224 A HA 0.165 4.497 4.320 0.020 0.000 0.213 224 A C -0.342 176.870 177.584 -0.620 0.000 1.192 224 A CA 0.450 52.189 52.037 -0.497 0.000 0.851 224 A CB -0.233 18.229 19.000 -0.897 0.000 0.881 224 A HN 0.483 nan 8.150 nan 0.000 0.494 225 Y N -0.372 119.984 120.300 0.094 0.000 2.720 225 Y HA 0.294 4.856 4.550 0.020 0.000 0.264 225 Y C 0.294 176.315 175.900 0.201 0.000 0.989 225 Y CA -0.907 57.334 58.100 0.236 0.000 1.100 225 Y CB -0.180 38.431 38.460 0.251 0.000 1.196 225 Y HN 0.313 nan 8.280 nan 0.000 0.631 226 Q N 0.925 120.678 119.800 -0.078 0.000 2.271 226 Q HA 0.381 4.733 4.340 0.020 0.000 0.273 226 Q C 1.113 177.066 176.000 -0.079 0.000 1.051 226 Q CA 1.481 57.128 55.803 -0.260 0.000 0.901 226 Q CB 0.377 28.706 28.738 -0.683 0.000 1.174 226 Q HN 0.866 nan 8.270 nan 0.000 0.385 227 G N 3.226 111.986 108.800 -0.066 0.000 2.218 227 G HA2 -0.254 3.718 3.960 0.020 0.000 0.216 227 G HA3 -0.254 3.718 3.960 0.020 0.000 0.216 227 G C 0.180 174.857 174.900 -0.372 0.000 0.994 227 G CA -0.013 44.941 45.100 -0.243 0.000 0.637 227 G HN 0.654 nan 8.290 nan 0.000 0.505 228 F N 1.422 121.394 119.950 0.036 0.000 2.743 228 F HA 0.548 5.087 4.527 0.019 0.000 0.297 228 F C 2.518 178.340 175.800 0.038 0.000 1.131 228 F CA 1.447 59.465 58.000 0.030 0.000 1.426 228 F CB 0.218 39.258 39.000 0.065 0.000 1.116 228 F HN 0.365 nan 8.300 nan 0.000 0.583 229 A N 0.083 123.030 122.820 0.212 0.000 1.884 229 A HA 0.153 4.485 4.320 0.020 0.000 0.212 229 A C 2.126 179.774 177.584 0.108 0.000 1.265 229 A CA 0.735 52.881 52.037 0.181 0.000 0.626 229 A CB 0.026 19.162 19.000 0.227 0.000 0.943 229 A HN 0.211 nan 8.150 nan 0.000 0.466 230 R N -2.309 118.237 120.500 0.077 0.000 2.428 230 R HA 0.379 4.731 4.340 0.020 0.000 0.193 230 R C 0.608 176.898 176.300 -0.018 0.000 0.852 230 R CA 0.666 56.787 56.100 0.035 0.000 1.055 230 R CB 1.100 31.434 30.300 0.056 0.000 1.343 230 R HN 0.560 nan 8.270 nan 0.000 0.655 234 E N 1.239 121.433 120.200 -0.009 0.000 2.107 234 E HA -0.148 4.214 4.350 0.020 0.000 0.191 234 E C 1.548 178.168 176.600 0.034 0.000 0.982 234 E CA 1.303 57.710 56.400 0.013 0.000 0.809 234 E CB 0.206 29.910 29.700 0.006 0.000 0.756 234 E HN 0.445 nan 8.360 nan 0.000 0.459 235 E N 1.061 121.282 120.200 0.035 0.000 2.077 235 E HA -0.159 4.204 4.350 0.020 0.000 0.193 235 E C 1.561 178.219 176.600 0.096 0.000 0.989 235 E CA 1.265 57.700 56.400 0.058 0.000 0.800 235 E CB -0.093 29.640 29.700 0.055 0.000 0.746 235 E HN 0.147 nan 8.360 nan 0.000 0.452 236 D N -0.430 120.045 120.400 0.125 0.000 2.310 236 D HA -0.055 4.598 4.640 0.020 0.000 0.212 236 D C 1.197 177.664 176.300 0.278 0.000 0.965 236 D CA 1.075 55.211 54.000 0.227 0.000 0.879 236 D CB -0.014 40.933 40.800 0.244 0.000 0.921 236 D HN 0.218 nan 8.370 nan 0.000 0.510 237 A N 0.239 123.169 122.820 0.184 0.000 2.308 237 A HA 0.020 4.352 4.320 0.020 0.000 0.217 237 A C 1.828 179.349 177.584 -0.105 0.000 1.216 237 A CA 0.053 52.156 52.037 0.111 0.000 0.864 237 A CB -0.263 18.804 19.000 0.113 0.000 0.902 237 A HN 0.165 nan 8.150 nan 0.000 0.499 238 E N 0.502 120.665 120.200 -0.061 0.000 2.209 238 E HA -0.168 4.194 4.350 0.020 0.000 0.196 238 E C 1.792 178.270 176.600 -0.203 0.000 0.993 238 E CA 1.333 57.691 56.400 -0.070 0.000 0.819 238 E CB -0.307 29.405 29.700 0.020 0.000 0.745 238 E HN 0.490 nan 8.360 nan 0.000 0.477 239 G N 1.445 109.933 108.800 -0.520 0.000 2.394 239 G HA2 -0.228 3.745 3.960 0.020 0.000 0.214 239 G HA3 -0.228 3.745 3.960 0.020 0.000 0.214 239 G C 1.494 175.886 174.900 -0.847 0.000 1.176 239 G CA 0.645 45.080 45.100 -1.108 0.000 0.786 239 G HN 0.321 nan 8.290 nan 0.000 0.533 240 L N 0.645 121.192 121.223 -1.128 0.000 2.079 240 L HA 0.024 4.377 4.340 0.020 0.000 0.210 240 L C 2.800 179.404 176.870 -0.445 0.000 1.081 240 L CA 1.745 55.823 54.840 -1.271 0.000 0.752 240 L CB -0.389 40.885 42.059 -1.309 0.000 0.896 240 L HN 0.120 nan 8.230 nan 0.000 0.433 241 R N -0.694 119.654 120.500 -0.253 0.000 2.115 241 R HA -0.020 4.332 4.340 0.020 0.000 0.230 241 R C 2.277 178.586 176.300 0.015 0.000 1.111 241 R CA 1.028 57.107 56.100 -0.036 0.000 0.976 241 R CB -0.535 29.759 30.300 -0.010 0.000 0.870 241 R HN 0.537 nan 8.270 nan 0.000 0.445 242 A N 0.525 123.355 122.820 0.016 0.000 1.902 242 A HA -0.145 4.187 4.320 0.020 0.000 0.217 242 A C 1.812 179.481 177.584 0.143 0.000 1.181 242 A CA 1.121 53.212 52.037 0.091 0.000 0.623 242 A CB -0.497 18.591 19.000 0.146 0.000 0.818 242 A HN 0.182 nan 8.150 nan 0.000 0.443 243 F N 0.143 120.100 119.950 0.012 0.000 2.113 243 F HA -0.053 4.486 4.527 0.021 0.000 0.297 243 F C 2.800 178.710 175.800 0.183 0.000 1.103 243 F CA 1.109 59.192 58.000 0.138 0.000 1.248 243 F CB -0.537 38.518 39.000 0.091 0.000 0.999 243 F HN 0.248 nan 8.300 nan 0.000 0.475 244 A N -0.251 122.717 122.820 0.247 0.000 1.972 244 A HA -0.077 4.255 4.320 0.020 0.000 0.219 244 A C 2.342 179.982 177.584 0.092 0.000 1.169 244 A CA 1.634 53.765 52.037 0.156 0.000 0.635 244 A CB -1.256 17.808 19.000 0.107 0.000 0.810 244 A HN 0.317 nan 8.150 nan 0.000 0.446 245 A N -0.932 121.935 122.820 0.078 0.000 1.969 245 A HA 0.011 4.344 4.320 0.020 0.000 0.218 245 A C 2.099 179.698 177.584 0.025 0.000 1.169 245 A CA 1.585 53.641 52.037 0.033 0.000 0.635 245 A CB -0.375 18.640 19.000 0.025 0.000 0.810 245 A HN 0.513 nan 8.150 nan 0.000 0.445 246 M N -1.173 118.459 119.600 0.054 0.000 2.441 246 M HA 0.143 4.636 4.480 0.020 0.000 0.244 246 M C -0.072 176.167 176.300 -0.102 0.000 1.122 246 M CA 0.286 55.565 55.300 -0.034 0.000 1.041 246 M CB 0.174 32.719 32.600 -0.092 0.000 1.438 246 M HN 0.315 nan 8.290 nan 0.000 0.484 247 H N -0.338 118.754 119.070 0.037 0.000 2.499 247 H HA 0.220 4.789 4.556 0.021 0.000 0.340 247 H C 0.186 175.543 175.328 0.049 0.000 1.148 247 H CA -0.331 55.761 56.048 0.073 0.000 1.215 247 H CB 2.343 32.207 29.762 0.170 0.000 1.529 247 H HN -0.199 nan 8.280 nan 0.000 0.510 248 K N 1.030 121.514 120.400 0.141 0.000 2.137 248 K HA 0.047 4.379 4.320 0.020 0.000 0.202 248 K C -0.138 176.543 176.600 0.135 0.000 1.052 248 K CA 1.014 57.358 56.287 0.095 0.000 0.961 248 K CB 0.471 33.009 32.500 0.064 0.000 0.741 248 K HN 0.625 nan 8.250 nan 0.000 0.452 249 E N -0.393 119.937 120.200 0.216 0.000 2.340 249 E HA 0.575 4.938 4.350 0.020 0.000 0.273 249 E C -1.139 175.613 176.600 0.253 0.000 0.891 249 E CA -0.777 55.748 56.400 0.208 0.000 0.757 249 E CB 2.259 32.081 29.700 0.204 0.000 1.231 249 E HN 0.051 nan 8.360 nan 0.000 0.439 250 L N -1.359 119.994 121.223 0.216 0.000 2.866 250 L HA 0.639 4.992 4.340 0.020 0.000 0.262 250 L C -1.694 175.314 176.870 0.230 0.000 0.986 250 L CA -1.013 53.965 54.840 0.230 0.000 0.925 250 L CB 1.236 43.438 42.059 0.239 0.000 1.484 250 L HN 0.522 nan 8.230 nan 0.000 0.414 251 I N 1.936 122.654 120.570 0.247 0.000 2.608 251 I HA 0.728 4.910 4.170 0.020 0.000 0.295 251 I C -1.028 175.238 176.117 0.247 0.000 1.049 251 I CA -1.150 60.288 61.300 0.230 0.000 1.063 251 I CB 2.352 40.492 38.000 0.233 0.000 1.248 251 I HN 0.513 nan 8.210 nan 0.000 0.424 252 V N 5.287 125.329 119.914 0.213 0.000 2.577 252 V HA 0.813 4.946 4.120 0.020 0.000 0.303 252 V C -0.705 175.478 176.094 0.148 0.000 1.042 252 V CA -0.239 62.180 62.300 0.197 0.000 0.872 252 V CB 1.741 33.643 31.823 0.131 0.000 0.998 252 V HN 0.805 nan 8.190 nan 0.000 0.423 253 A N 5.405 128.315 122.820 0.150 0.000 2.280 253 A HA 0.837 5.169 4.320 0.020 0.000 0.320 253 A C 0.202 177.829 177.584 0.071 0.000 1.366 253 A CA 0.042 52.145 52.037 0.110 0.000 0.938 253 A CB 0.332 19.404 19.000 0.119 0.000 1.157 253 A HN 1.469 nan 8.150 nan 0.000 0.536 254 S N 1.443 117.139 115.700 -0.007 0.000 2.607 254 S HA 0.831 5.313 4.470 0.020 0.000 0.303 254 S C -0.110 174.346 174.600 -0.240 0.000 1.086 254 S CA -0.641 57.476 58.200 -0.138 0.000 0.995 254 S CB 1.774 64.823 63.200 -0.252 0.000 1.084 254 S HN 0.885 nan 8.310 nan 0.000 0.507 255 S N -0.268 115.211 115.700 -0.368 0.000 2.542 255 S HA 0.615 5.098 4.470 0.020 0.000 0.293 255 S C -1.289 172.987 174.600 -0.539 0.000 1.089 255 S CA -0.599 57.395 58.200 -0.344 0.000 0.961 255 S CB 0.727 63.765 63.200 -0.271 0.000 1.062 255 S HN 0.690 nan 8.310 nan 0.000 0.483 256 Y N 1.823 122.079 120.300 -0.074 0.000 2.531 256 Y HA 0.284 4.849 4.550 0.024 0.000 0.249 256 Y C 2.171 178.035 175.900 -0.060 0.000 1.168 256 Y CA -0.183 57.899 58.100 -0.031 0.000 1.226 256 Y CB 0.161 38.514 38.460 -0.177 0.000 1.177 256 Y HN 0.567 nan 8.280 nan 0.000 0.527 257 S N 0.273 115.945 115.700 -0.046 0.000 2.348 257 S HA -0.165 4.318 4.470 0.020 0.000 0.221 257 S C 1.978 176.295 174.600 -0.471 0.000 1.033 257 S CA 1.429 59.495 58.200 -0.223 0.000 1.010 257 S CB -0.002 63.126 63.200 -0.121 0.000 0.891 257 S HN 0.335 nan 8.310 nan 0.000 0.442 258 K N 1.990 122.277 120.400 -0.188 0.000 2.044 258 K HA 0.025 4.357 4.320 0.020 0.000 0.204 258 K C 1.719 178.425 176.600 0.176 0.000 1.049 258 K CA 1.292 57.561 56.287 -0.030 0.000 0.945 258 K CB -0.971 31.635 32.500 0.177 0.000 0.724 258 K HN 0.713 nan 8.250 nan 0.000 0.440 259 N N -0.485 118.423 118.700 0.346 0.000 2.459 259 N HA -0.075 4.677 4.740 0.020 0.000 0.181 259 N C 0.900 176.597 175.510 0.312 0.000 1.046 259 N CA 0.495 53.768 53.050 0.371 0.000 0.904 259 N CB -0.045 38.643 38.487 0.335 0.000 0.964 259 N HN 0.003 nan 8.380 nan 0.000 0.444 260 F N -0.011 120.039 119.950 0.167 0.000 2.706 260 F HA 0.398 4.934 4.527 0.016 0.000 0.313 260 F C 1.423 177.222 175.800 -0.001 0.000 1.096 260 F CA -0.087 57.969 58.000 0.092 0.000 1.219 260 F CB 0.819 39.748 39.000 -0.119 0.000 1.051 260 F HN 0.095 nan 8.300 nan 0.000 0.568 261 G N 1.580 110.398 108.800 0.030 0.000 2.341 261 G HA2 -0.311 3.661 3.960 0.020 0.000 0.292 261 G HA3 -0.311 3.661 3.960 0.020 0.000 0.292 261 G C 0.407 175.214 174.900 -0.156 0.000 1.021 261 G CA 0.299 45.321 45.100 -0.129 0.000 0.905 261 G HN 0.416 nan 8.290 nan 0.000 0.508 262 L N -0.348 120.737 121.223 -0.230 0.000 3.034 262 L HA 0.312 4.664 4.340 0.020 0.000 0.245 262 L C 1.951 178.763 176.870 -0.097 0.000 1.295 262 L CA -0.892 53.899 54.840 -0.081 0.000 1.068 262 L CB -0.268 41.763 42.059 -0.045 0.000 1.426 262 L HN 0.282 nan 8.230 nan 0.000 0.531 263 Y N 0.860 121.208 120.300 0.081 0.000 2.040 263 Y HA -0.342 4.219 4.550 0.019 0.000 0.275 263 Y C 2.398 178.317 175.900 0.031 0.000 1.171 263 Y CA 2.017 60.148 58.100 0.051 0.000 1.123 263 Y CB -0.517 37.975 38.460 0.053 0.000 0.963 263 Y HN 0.564 nan 8.280 nan 0.000 0.493 264 N N -0.226 118.597 118.700 0.205 0.000 2.370 264 N HA -0.069 4.683 4.740 0.020 0.000 0.198 264 N C 0.523 176.070 175.510 0.061 0.000 1.156 264 N CA 0.596 53.714 53.050 0.113 0.000 0.839 264 N CB -0.268 38.279 38.487 0.099 0.000 0.989 264 N HN 0.370 nan 8.380 nan 0.000 0.468 265 E N 0.496 120.725 120.200 0.048 0.000 2.481 265 E HA 0.102 4.464 4.350 0.020 0.000 0.198 265 E C -0.316 176.269 176.600 -0.025 0.000 1.027 265 E CA -0.185 56.227 56.400 0.021 0.000 0.900 265 E CB 0.301 30.026 29.700 0.041 0.000 0.993 265 E HN 0.123 nan 8.360 nan 0.000 0.482 266 R N 0.035 120.523 120.500 -0.020 0.000 2.983 266 R HA -0.124 4.228 4.340 0.020 0.000 0.272 266 R C -0.595 175.662 176.300 -0.071 0.000 0.926 266 R CA 0.185 56.258 56.100 -0.045 0.000 0.667 266 R CB -2.929 27.328 30.300 -0.072 0.000 1.540 266 R HN 0.108 nan 8.270 nan 0.000 0.467 267 V N 0.334 120.226 119.914 -0.036 0.000 2.444 267 V HA 0.931 5.064 4.120 0.020 0.000 0.294 267 V C 0.446 176.630 176.094 0.151 0.000 1.022 267 V CA 0.534 62.827 62.300 -0.012 0.000 0.850 267 V CB 1.819 33.591 31.823 -0.086 0.000 0.992 267 V HN 0.801 nan 8.190 nan 0.000 0.426 268 G N 4.322 113.238 108.800 0.194 0.000 2.550 268 G HA2 0.903 4.875 3.960 0.020 0.000 0.293 268 G HA3 0.903 4.875 3.960 0.020 0.000 0.293 268 G C -1.340 173.732 174.900 0.287 0.000 1.402 268 G CA -0.145 45.061 45.100 0.177 0.000 0.784 268 G HN 1.565 nan 8.290 nan 0.000 0.482 269 A N -1.574 121.354 122.820 0.180 0.000 2.572 269 A HA 0.701 5.034 4.320 0.020 0.000 0.295 269 A C -1.109 176.553 177.584 0.130 0.000 1.072 269 A CA -0.289 51.879 52.037 0.218 0.000 0.691 269 A CB 1.518 20.619 19.000 0.169 0.000 1.291 269 A HN 1.968 nan 8.150 nan 0.000 0.404 270 C N 1.746 121.141 119.300 0.157 0.000 2.322 270 C HA 0.810 5.283 4.460 0.020 0.000 0.324 270 C C -0.082 174.994 174.990 0.144 0.000 1.249 270 C CA 0.052 59.157 59.018 0.143 0.000 1.453 270 C CB -0.304 27.528 27.740 0.154 0.000 2.145 270 C HN 0.828 nan 8.230 nan 0.000 0.466 271 T N 6.894 121.519 114.554 0.118 0.000 2.823 271 T HA 0.474 4.837 4.350 0.020 0.000 0.279 271 T C -0.573 174.199 174.700 0.120 0.000 0.998 271 T CA -0.305 61.857 62.100 0.104 0.000 0.994 271 T CB 1.170 70.113 68.868 0.124 0.000 0.960 271 T HN 0.598 nan 8.240 nan 0.000 0.448 272 L N 3.577 124.836 121.223 0.060 0.000 2.287 272 L HA 0.584 4.936 4.340 0.020 0.000 0.287 272 L C -0.607 176.290 176.870 0.045 0.000 1.022 272 L CA -0.839 54.034 54.840 0.055 0.000 0.814 272 L CB 1.448 43.513 42.059 0.010 0.000 1.217 272 L HN 0.365 nan 8.230 nan 0.000 0.420 273 V N 3.154 123.116 119.914 0.080 0.000 2.547 273 V HA 0.818 4.950 4.120 0.020 0.000 0.299 273 V C 0.180 176.309 176.094 0.058 0.000 1.040 273 V CA -0.389 61.923 62.300 0.020 0.000 0.913 273 V CB 1.658 33.479 31.823 -0.003 0.000 0.992 273 V HN 0.903 nan 8.190 nan 0.000 0.449 274 A N 2.787 125.627 122.820 0.034 0.000 2.530 274 A HA 0.871 5.203 4.320 0.020 0.000 0.288 274 A C 0.962 178.567 177.584 0.036 0.000 1.172 274 A CA 0.068 52.143 52.037 0.064 0.000 0.733 274 A CB 1.151 20.196 19.000 0.075 0.000 1.320 274 A HN 1.148 nan 8.150 nan 0.000 0.419 275 A N -0.433 122.414 122.820 0.044 0.000 1.978 275 A HA 0.233 4.565 4.320 0.020 0.000 0.220 275 A C 0.518 178.106 177.584 0.006 0.000 1.170 275 A CA 2.417 54.469 52.037 0.025 0.000 0.636 275 A CB -0.769 18.249 19.000 0.030 0.000 0.810 275 A HN 1.084 nan 8.150 nan 0.000 0.448 276 D N -4.541 115.865 120.400 0.009 0.000 2.615 276 D HA 0.380 5.032 4.640 0.020 0.000 0.267 276 D C 0.589 176.890 176.300 0.002 0.000 1.236 276 D CA 0.063 54.063 54.000 0.000 0.000 0.839 276 D CB 0.299 41.102 40.800 0.006 0.000 1.380 276 D HN -0.053 nan 8.370 nan 0.000 0.433 277 S N -0.634 115.063 115.700 -0.005 0.000 2.368 277 S HA -0.238 4.245 4.470 0.020 0.000 0.225 277 S C 1.518 176.127 174.600 0.016 0.000 1.030 277 S CA 1.071 59.269 58.200 -0.003 0.000 0.999 277 S CB -0.458 62.738 63.200 -0.007 0.000 0.844 277 S HN 0.592 nan 8.310 nan 0.000 0.459 278 E N 1.700 121.913 120.200 0.021 0.000 2.058 278 E HA -0.148 4.214 4.350 0.020 0.000 0.194 278 E C 1.990 178.618 176.600 0.047 0.000 0.997 278 E CA 1.896 58.315 56.400 0.032 0.000 0.801 278 E CB -0.720 28.997 29.700 0.028 0.000 0.746 278 E HN 0.610 nan 8.360 nan 0.000 0.450 279 T N 0.585 115.167 114.554 0.048 0.000 2.812 279 T HA -0.074 4.288 4.350 0.020 0.000 0.264 279 T C 1.945 176.694 174.700 0.082 0.000 1.042 279 T CA 1.046 63.187 62.100 0.068 0.000 1.140 279 T CB -0.331 68.577 68.868 0.066 0.000 0.870 279 T HN 0.037 nan 8.240 nan 0.000 0.445 280 V N 2.139 122.088 119.914 0.058 0.000 2.490 280 V HA -0.168 3.965 4.120 0.020 0.000 0.250 280 V C 1.885 178.032 176.094 0.089 0.000 1.061 280 V CA 1.877 64.210 62.300 0.055 0.000 1.064 280 V CB -0.499 31.319 31.823 -0.008 0.000 0.670 280 V HN 0.392 nan 8.190 nan 0.000 0.461 281 D N -0.569 119.882 120.400 0.084 0.000 2.178 281 D HA -0.139 4.513 4.640 0.020 0.000 0.202 281 D C 2.252 178.645 176.300 0.155 0.000 0.974 281 D CA 1.148 55.225 54.000 0.127 0.000 0.841 281 D CB -0.200 40.651 40.800 0.086 0.000 0.953 281 D HN 0.412 nan 8.370 nan 0.000 0.478 282 R N 0.378 120.954 120.500 0.127 0.000 2.093 282 R HA 0.073 4.425 4.340 0.020 0.000 0.224 282 R C 2.057 178.455 176.300 0.163 0.000 1.101 282 R CA 0.977 57.151 56.100 0.122 0.000 0.979 282 R CB 0.044 30.403 30.300 0.098 0.000 0.877 282 R HN 0.069 nan 8.270 nan 0.000 0.441 283 A N 0.356 123.298 122.820 0.202 0.000 1.898 283 A HA -0.158 4.175 4.320 0.020 0.000 0.216 283 A C 1.886 179.601 177.584 0.219 0.000 1.181 283 A CA 0.925 53.142 52.037 0.299 0.000 0.620 283 A CB -0.723 18.477 19.000 0.333 0.000 0.819 283 A HN 0.422 nan 8.150 nan 0.000 0.442 284 F N 2.115 122.055 119.950 -0.017 0.000 2.126 284 F HA -0.235 4.304 4.527 0.019 0.000 0.299 284 F C 2.871 178.660 175.800 -0.019 0.000 1.096 284 F CA 1.574 59.531 58.000 -0.073 0.000 1.255 284 F CB -0.533 38.443 39.000 -0.040 0.000 0.997 284 F HN 0.363 nan 8.300 nan 0.000 0.479 285 S N -0.564 115.160 115.700 0.039 0.000 2.387 285 S HA -0.269 4.214 4.470 0.020 0.000 0.230 285 S C 1.899 176.467 174.600 -0.054 0.000 1.035 285 S CA 1.416 59.592 58.200 -0.041 0.000 1.014 285 S CB -0.642 62.577 63.200 0.033 0.000 0.836 285 S HN 0.504 nan 8.310 nan 0.000 0.466 286 Q N 0.255 120.091 119.800 0.059 0.000 2.245 286 Q HA 0.178 4.530 4.340 0.020 0.000 0.201 286 Q C 2.103 178.183 176.000 0.133 0.000 0.955 286 Q CA 1.021 56.905 55.803 0.135 0.000 0.870 286 Q CB -0.372 28.531 28.738 0.274 0.000 0.945 286 Q HN 0.755 nan 8.270 nan 0.000 0.461 287 M N 0.330 119.903 119.600 -0.044 0.000 2.229 287 M HA -0.150 4.342 4.480 0.020 0.000 0.264 287 M C 1.665 177.789 176.300 -0.294 0.000 1.063 287 M CA 1.371 56.540 55.300 -0.218 0.000 1.114 287 M CB 0.179 32.488 32.600 -0.484 0.000 1.387 287 M HN -0.052 nan 8.290 nan 0.000 0.420 288 K N -0.006 120.142 120.400 -0.420 0.000 2.062 288 K HA -0.024 4.309 4.320 0.020 0.000 0.205 288 K C 1.989 178.464 176.600 -0.208 0.000 1.051 288 K CA 1.241 57.307 56.287 -0.368 0.000 0.941 288 K CB -0.226 32.036 32.500 -0.397 0.000 0.719 288 K HN 0.417 nan 8.250 nan 0.000 0.440 289 A N 1.518 124.258 122.820 -0.133 0.000 1.883 289 A HA -0.209 4.123 4.320 0.020 0.000 0.217 289 A C 2.363 179.898 177.584 -0.082 0.000 1.186 289 A CA 2.108 54.095 52.037 -0.084 0.000 0.624 289 A CB -0.902 18.079 19.000 -0.033 0.000 0.822 289 A HN 0.355 nan 8.150 nan 0.000 0.444 290 A N -0.168 122.624 122.820 -0.047 0.000 1.908 290 A HA -0.133 4.199 4.320 0.020 0.000 0.218 290 A C 2.130 179.644 177.584 -0.117 0.000 1.181 290 A CA 1.684 53.703 52.037 -0.031 0.000 0.627 290 A CB -0.665 18.370 19.000 0.058 0.000 0.818 290 A HN 0.526 nan 8.150 nan 0.000 0.445 291 I N -1.333 119.123 120.570 -0.189 0.000 2.226 291 I HA -0.236 3.947 4.170 0.020 0.000 0.245 291 I C 2.749 178.591 176.117 -0.458 0.000 1.100 291 I CA 1.081 62.147 61.300 -0.390 0.000 1.374 291 I CB -0.350 37.454 38.000 -0.326 0.000 1.057 291 I HN 0.231 nan 8.210 nan 0.000 0.413 292 R N 1.026 121.353 120.500 -0.287 0.000 2.103 292 R HA -0.160 4.192 4.340 0.020 0.000 0.242 292 R C 2.093 178.278 176.300 -0.192 0.000 1.142 292 R CA 1.880 57.843 56.100 -0.229 0.000 0.960 292 R CB -0.495 29.708 30.300 -0.162 0.000 0.858 292 R HN 0.406 nan 8.270 nan 0.000 0.439 293 A N 0.251 122.979 122.820 -0.154 0.000 2.238 293 A HA -0.047 4.285 4.320 0.020 0.000 0.208 293 A C 1.585 179.108 177.584 -0.101 0.000 1.177 293 A CA 0.581 52.556 52.037 -0.102 0.000 0.804 293 A CB -0.173 18.788 19.000 -0.064 0.000 0.823 293 A HN 0.263 nan 8.150 nan 0.000 0.482 294 N N -0.605 117.987 118.700 -0.180 0.000 2.660 294 N HA 0.044 4.796 4.740 0.020 0.000 0.231 294 N C 0.844 176.278 175.510 -0.126 0.000 1.022 294 N CA 1.560 54.538 53.050 -0.121 0.000 1.178 294 N CB -0.004 38.415 38.487 -0.114 0.000 1.536 294 N HN 0.438 nan 8.380 nan 0.000 0.582 295 Y N -1.590 118.703 120.300 -0.013 0.000 2.675 295 Y HA 0.593 5.156 4.550 0.021 0.000 0.248 295 Y C 1.157 177.047 175.900 -0.016 0.000 1.161 295 Y CA 0.171 58.267 58.100 -0.008 0.000 1.203 295 Y CB 0.003 38.463 38.460 0.000 0.000 1.262 295 Y HN 0.117 nan 8.280 nan 0.000 0.544 296 S N 0.980 116.469 115.700 -0.353 0.000 1.552 296 S HA -0.321 4.161 4.470 0.020 0.000 0.237 296 S C -0.091 174.392 174.600 -0.196 0.000 0.756 296 S CA 2.097 60.154 58.200 -0.237 0.000 1.349 296 S CB -1.694 61.425 63.200 -0.135 0.000 1.675 296 S HN 1.031 nan 8.310 nan 0.000 0.517 297 N N 0.597 119.309 118.700 0.020 0.000 2.859 297 N HA 0.664 5.416 4.740 0.020 0.000 0.250 297 N C -3.373 172.318 175.510 0.303 0.000 1.341 297 N CA -1.109 52.007 53.050 0.110 0.000 0.881 297 N CB 1.473 39.985 38.487 0.042 0.000 1.516 297 N HN 0.289 nan 8.380 nan 0.000 0.503 298 P HA 0.446 nan 4.420 nan 0.000 0.283 298 P C -2.712 174.605 177.300 0.028 0.000 1.271 298 P CA -1.513 61.672 63.100 0.142 0.000 0.841 298 P CB 0.310 32.068 31.700 0.095 0.000 1.122 299 P HA 0.058 nan 4.420 nan 0.000 0.266 299 P C 0.417 177.667 177.300 -0.084 0.000 1.215 299 P CA 0.188 63.257 63.100 -0.053 0.000 0.763 299 P CB 0.388 32.044 31.700 -0.073 0.000 0.806 300 A N 3.198 125.990 122.820 -0.047 0.000 2.016 300 A HA -0.174 4.158 4.320 0.020 0.000 0.217 300 A C 2.087 179.622 177.584 -0.081 0.000 1.162 300 A CA 1.250 53.241 52.037 -0.077 0.000 0.662 300 A CB -1.292 17.687 19.000 -0.035 0.000 0.812 300 A HN 0.616 nan 8.150 nan 0.000 0.450 301 H N -0.146 118.852 119.070 -0.121 0.000 2.270 301 H HA -0.039 4.515 4.556 -0.003 0.000 0.299 301 H C 2.239 177.480 175.328 -0.145 0.000 1.077 301 H CA 2.271 58.252 56.048 -0.111 0.000 1.294 301 H CB -0.499 29.216 29.762 -0.079 0.000 1.371 301 H HN 0.329 nan 8.280 nan 0.000 0.491 302 G N -0.421 108.288 108.800 -0.152 0.000 2.408 302 G HA2 -0.202 3.770 3.960 0.020 0.000 0.217 302 G HA3 -0.202 3.770 3.960 0.020 0.000 0.217 302 G C 1.861 176.534 174.900 -0.378 0.000 1.150 302 G CA 0.781 45.736 45.100 -0.240 0.000 0.776 302 G HN 0.602 nan 8.290 nan 0.000 0.542 303 A N 0.382 122.942 122.820 -0.433 0.000 1.969 303 A HA 0.053 4.386 4.320 0.020 0.000 0.218 303 A C 2.579 179.893 177.584 -0.451 0.000 1.169 303 A CA 2.136 53.774 52.037 -0.665 0.000 0.635 303 A CB -0.581 17.823 19.000 -0.993 0.000 0.810 303 A HN 0.369 nan 8.150 nan 0.000 0.445 304 S N -0.806 114.691 115.700 -0.339 0.000 2.387 304 S HA -0.089 4.393 4.470 0.020 0.000 0.226 304 S C 1.901 176.351 174.600 -0.250 0.000 1.026 304 S CA 1.347 59.407 58.200 -0.233 0.000 0.972 304 S CB -0.374 62.717 63.200 -0.182 0.000 0.814 304 S HN 0.298 nan 8.310 nan 0.000 0.477 305 V N 1.375 121.076 119.914 -0.355 0.000 2.261 305 V HA -0.131 4.002 4.120 0.020 0.000 0.246 305 V C 2.423 178.308 176.094 -0.348 0.000 1.047 305 V CA 1.828 63.939 62.300 -0.316 0.000 1.015 305 V CB -0.724 30.886 31.823 -0.355 0.000 0.642 305 V HN 0.387 nan 8.190 nan 0.000 0.446 306 V N 0.318 119.909 119.914 -0.539 0.000 2.332 306 V HA -0.294 3.838 4.120 0.020 0.000 0.248 306 V C 2.672 178.479 176.094 -0.477 0.000 1.055 306 V CA 2.179 63.972 62.300 -0.844 0.000 1.038 306 V CB -1.140 29.920 31.823 -1.271 0.000 0.651 306 V HN 0.575 nan 8.190 nan 0.000 0.450 307 A N 0.550 123.227 122.820 -0.239 0.000 1.930 307 A HA -0.194 4.139 4.320 0.020 0.000 0.217 307 A C 2.470 179.971 177.584 -0.138 0.000 1.175 307 A CA 2.339 54.298 52.037 -0.131 0.000 0.627 307 A CB -0.838 18.147 19.000 -0.025 0.000 0.815 307 A HN 0.642 nan 8.150 nan 0.000 0.443 308 T N -2.026 112.444 114.554 -0.141 0.000 2.985 308 T HA 0.071 4.433 4.350 0.020 0.000 0.266 308 T C 1.827 176.437 174.700 -0.149 0.000 1.076 308 T CA 1.007 63.023 62.100 -0.140 0.000 1.135 308 T CB -0.482 68.309 68.868 -0.129 0.000 0.890 308 T HN 0.321 nan 8.240 nan 0.000 0.480 309 I N 1.221 121.712 120.570 -0.132 0.000 2.113 309 I HA -0.110 4.072 4.170 0.020 0.000 0.238 309 I C 2.560 178.646 176.117 -0.052 0.000 1.070 309 I CA 1.458 62.719 61.300 -0.065 0.000 1.332 309 I CB -0.439 37.561 38.000 -0.000 0.000 1.044 309 I HN 0.192 nan 8.210 nan 0.000 0.402 310 L N 0.534 121.699 121.223 -0.097 0.000 2.187 310 L HA -0.177 4.175 4.340 0.020 0.000 0.213 310 L C 2.284 179.124 176.870 -0.050 0.000 1.100 310 L CA 1.496 56.296 54.840 -0.067 0.000 0.765 310 L CB -0.561 41.412 42.059 -0.143 0.000 0.904 310 L HN 0.404 nan 8.230 nan 0.000 0.437 311 S N -1.936 113.721 115.700 -0.072 0.000 2.597 311 S HA 0.060 4.542 4.470 0.020 0.000 0.224 311 S C 0.491 175.055 174.600 -0.061 0.000 0.955 311 S CA -0.557 57.608 58.200 -0.059 0.000 0.933 311 S CB -0.257 62.906 63.200 -0.063 0.000 0.788 311 S HN 0.360 nan 8.310 nan 0.000 0.488 312 N N 1.223 119.885 118.700 -0.063 0.000 2.354 312 N HA 0.235 4.987 4.740 0.020 0.000 0.287 312 N C -0.414 175.076 175.510 -0.035 0.000 1.016 312 N CA -0.338 52.669 53.050 -0.072 0.000 0.871 312 N CB 1.939 40.353 38.487 -0.122 0.000 1.299 312 N HN -0.048 nan 8.380 nan 0.000 0.482 313 D N 2.485 122.869 120.400 -0.027 0.000 2.144 313 D HA -0.087 4.565 4.640 0.020 0.000 0.200 313 D C 1.430 177.725 176.300 -0.007 0.000 0.978 313 D CA 1.022 55.016 54.000 -0.010 0.000 0.833 313 D CB 0.170 40.963 40.800 -0.012 0.000 0.961 313 D HN 0.679 nan 8.370 nan 0.000 0.470 314 A N 1.399 124.208 122.820 -0.018 0.000 1.845 314 A HA -0.152 4.180 4.320 0.020 0.000 0.215 314 A C 2.172 179.753 177.584 -0.004 0.000 1.195 314 A CA 0.975 53.002 52.037 -0.015 0.000 0.616 314 A CB -0.760 18.226 19.000 -0.023 0.000 0.832 314 A HN 0.097 nan 8.150 nan 0.000 0.443 315 L N -0.242 120.975 121.223 -0.011 0.000 2.079 315 L HA -0.096 4.256 4.340 0.020 0.000 0.210 315 L C 2.552 179.467 176.870 0.075 0.000 1.081 315 L CA 2.054 56.902 54.840 0.014 0.000 0.752 315 L CB -0.930 41.115 42.059 -0.023 0.000 0.896 315 L HN 0.503 nan 8.230 nan 0.000 0.433 316 R N -0.859 119.689 120.500 0.080 0.000 2.189 316 R HA -0.075 4.277 4.340 0.020 0.000 0.218 316 R C 2.041 178.422 176.300 0.134 0.000 1.074 316 R CA 0.993 57.200 56.100 0.179 0.000 0.991 316 R CB 0.033 30.421 30.300 0.146 0.000 0.883 316 R HN 0.343 nan 8.270 nan 0.000 0.457 317 A N 0.770 123.616 122.820 0.044 0.000 1.930 317 A HA -0.031 4.302 4.320 0.020 0.000 0.215 317 A C 2.009 179.566 177.584 -0.045 0.000 1.176 317 A CA 0.732 52.759 52.037 -0.016 0.000 0.632 317 A CB -0.211 18.776 19.000 -0.023 0.000 0.819 317 A HN 0.280 nan 8.150 nan 0.000 0.445 318 I N -2.189 118.377 120.570 -0.007 0.000 2.202 318 I HA -0.239 3.943 4.170 0.020 0.000 0.242 318 I C 2.415 178.512 176.117 -0.034 0.000 1.091 318 I CA 1.486 62.775 61.300 -0.019 0.000 1.368 318 I CB -0.398 37.608 38.000 0.011 0.000 1.058 318 I HN 0.710 nan 8.210 nan 0.000 0.410 319 W N 2.561 123.782 121.300 -0.131 0.000 2.317 319 W HA -0.246 4.426 4.660 0.020 0.000 0.318 319 W C 2.400 178.767 176.519 -0.254 0.000 1.227 319 W CA 1.788 59.003 57.345 -0.216 0.000 1.269 319 W CB -0.525 28.772 29.460 -0.272 0.000 1.155 319 W HN 0.081 nan 8.180 nan 0.000 0.484 320 E N -0.356 119.398 120.200 -0.744 0.000 2.086 320 E HA -0.378 3.984 4.350 0.020 0.000 0.200 320 E C 1.993 178.233 176.600 -0.600 0.000 1.012 320 E CA 2.057 57.939 56.400 -0.863 0.000 0.812 320 E CB -0.577 28.846 29.700 -0.462 0.000 0.743 320 E HN 0.282 nan 8.360 nan 0.000 0.453 321 Q N 1.044 120.623 119.800 -0.368 0.000 2.124 321 Q HA -0.167 4.185 4.340 0.020 0.000 0.202 321 Q C 1.611 177.439 176.000 -0.285 0.000 0.977 321 Q CA 1.584 57.226 55.803 -0.269 0.000 0.850 321 Q CB -0.012 28.625 28.738 -0.168 0.000 0.901 321 Q HN 0.311 nan 8.270 nan 0.000 0.429 322 E N -0.618 119.398 120.200 -0.307 0.000 2.150 322 E HA -0.154 4.208 4.350 0.020 0.000 0.193 322 E C 1.787 178.170 176.600 -0.363 0.000 0.985 322 E CA 0.939 57.187 56.400 -0.255 0.000 0.814 322 E CB -0.114 29.486 29.700 -0.165 0.000 0.752 322 E HN 0.296 nan 8.360 nan 0.000 0.466 323 L N 0.956 121.819 121.223 -0.601 0.000 2.095 323 L HA -0.096 4.256 4.340 0.020 0.000 0.204 323 L C 2.531 179.067 176.870 -0.557 0.000 1.080 323 L CA 2.142 56.575 54.840 -0.678 0.000 0.759 323 L CB -0.700 40.758 42.059 -1.002 0.000 0.914 323 L HN 0.112 nan 8.230 nan 0.000 0.439 324 T N -3.798 110.479 114.554 -0.463 0.000 2.951 324 T HA -0.123 4.240 4.350 0.020 0.000 0.268 324 T C 1.546 176.107 174.700 -0.231 0.000 1.073 324 T CA 1.217 63.119 62.100 -0.329 0.000 1.134 324 T CB -0.552 68.159 68.868 -0.261 0.000 0.884 324 T HN 0.345 nan 8.240 nan 0.000 0.479 325 D N 1.100 121.376 120.400 -0.207 0.000 2.117 325 D HA 0.038 4.690 4.640 0.020 0.000 0.198 325 D C 2.099 178.347 176.300 -0.087 0.000 0.982 325 D CA 1.038 54.968 54.000 -0.117 0.000 0.828 325 D CB -0.388 40.361 40.800 -0.084 0.000 0.967 325 D HN 0.437 nan 8.370 nan 0.000 0.464 326 M N 0.153 119.642 119.600 -0.186 0.000 2.080 326 M HA -0.167 4.325 4.480 0.020 0.000 0.260 326 M C 2.345 178.650 176.300 0.009 0.000 1.068 326 M CA 1.387 56.557 55.300 -0.216 0.000 1.109 326 M CB -0.137 32.158 32.600 -0.509 0.000 1.342 326 M HN -0.095 nan 8.290 nan 0.000 0.405 327 R N 0.320 120.743 120.500 -0.129 0.000 2.073 327 R HA -0.190 4.163 4.340 0.020 0.000 0.234 327 R C 2.050 178.367 176.300 0.028 0.000 1.134 327 R CA 1.844 57.924 56.100 -0.034 0.000 0.952 327 R CB -0.157 30.000 30.300 -0.239 0.000 0.850 327 R HN 0.480 nan 8.270 nan 0.000 0.433 328 Q N -0.397 119.393 119.800 -0.017 0.000 2.167 328 Q HA -0.153 4.199 4.340 0.020 0.000 0.202 328 Q C 2.210 178.235 176.000 0.041 0.000 0.970 328 Q CA 1.355 57.161 55.803 0.004 0.000 0.855 328 Q CB -0.089 28.636 28.738 -0.021 0.000 0.911 328 Q HN 0.303 nan 8.270 nan 0.000 0.438 329 R N 0.762 121.309 120.500 0.079 0.000 2.073 329 R HA -0.140 4.212 4.340 0.020 0.000 0.234 329 R C 2.048 178.409 176.300 0.102 0.000 1.134 329 R CA 1.266 57.429 56.100 0.105 0.000 0.952 329 R CB -0.156 30.258 30.300 0.190 0.000 0.850 329 R HN 0.215 nan 8.270 nan 0.000 0.433 330 I N 0.765 121.427 120.570 0.154 0.000 2.286 330 I HA -0.283 3.899 4.170 0.020 0.000 0.248 330 I C 2.366 178.512 176.117 0.048 0.000 1.115 330 I CA 1.411 62.765 61.300 0.090 0.000 1.392 330 I CB -0.175 37.900 38.000 0.127 0.000 1.065 330 I HN 0.297 nan 8.210 nan 0.000 0.418 331 Q N 0.107 119.941 119.800 0.056 0.000 2.167 331 Q HA -0.145 4.208 4.340 0.020 0.000 0.202 331 Q C 2.291 178.308 176.000 0.028 0.000 0.970 331 Q CA 0.905 56.731 55.803 0.038 0.000 0.855 331 Q CB -0.026 28.733 28.738 0.035 0.000 0.911 331 Q HN 0.407 nan 8.270 nan 0.000 0.438 332 R N 0.119 120.635 120.500 0.026 0.000 2.075 332 R HA -0.021 4.332 4.340 0.020 0.000 0.232 332 R C 1.996 178.307 176.300 0.019 0.000 1.126 332 R CA 1.017 57.129 56.100 0.019 0.000 0.963 332 R CB -0.441 29.868 30.300 0.016 0.000 0.858 332 R HN 0.333 nan 8.270 nan 0.000 0.435 333 M N 0.761 120.367 119.600 0.011 0.000 2.229 333 M HA -0.038 4.454 4.480 0.020 0.000 0.264 333 M C 2.106 178.419 176.300 0.022 0.000 1.063 333 M CA 1.340 56.639 55.300 -0.001 0.000 1.114 333 M CB -0.726 31.845 32.600 -0.048 0.000 1.387 333 M HN 0.106 nan 8.290 nan 0.000 0.420 334 R N -0.007 120.505 120.500 0.019 0.000 2.081 334 R HA -0.174 4.179 4.340 0.020 0.000 0.235 334 R C 2.212 178.559 176.300 0.078 0.000 1.131 334 R CA 1.293 57.424 56.100 0.051 0.000 0.960 334 R CB -0.451 29.869 30.300 0.032 0.000 0.856 334 R HN 0.360 nan 8.270 nan 0.000 0.436 335 Q N 0.772 120.599 119.800 0.045 0.000 2.050 335 Q HA -0.050 4.302 4.340 0.020 0.000 0.202 335 Q C 2.069 178.086 176.000 0.027 0.000 0.980 335 Q CA 1.095 56.915 55.803 0.029 0.000 0.840 335 Q CB -0.202 28.547 28.738 0.019 0.000 0.898 335 Q HN 0.271 nan 8.270 nan 0.000 0.424 336 L N -0.439 120.806 121.223 0.038 0.000 2.275 336 L HA -0.110 4.243 4.340 0.020 0.000 0.215 336 L C 1.822 178.728 176.870 0.061 0.000 1.119 336 L CA 0.783 55.642 54.840 0.032 0.000 0.790 336 L CB -0.142 41.934 42.059 0.029 0.000 0.919 336 L HN 0.279 nan 8.230 nan 0.000 0.443 337 F N -0.142 119.756 119.950 -0.087 0.000 2.098 337 F HA -0.145 4.395 4.527 0.021 0.000 0.294 337 F C 2.221 177.939 175.800 -0.137 0.000 1.107 337 F CA 1.508 59.430 58.000 -0.130 0.000 1.234 337 F CB -0.630 38.272 39.000 -0.163 0.000 1.002 337 F HN -0.236 nan 8.300 nan 0.000 0.472 338 V N 1.351 121.178 119.914 -0.144 0.000 2.332 338 V HA -0.355 3.777 4.120 0.020 0.000 0.248 338 V C 2.270 178.264 176.094 -0.165 0.000 1.055 338 V CA 2.233 64.401 62.300 -0.221 0.000 1.038 338 V CB -0.844 30.928 31.823 -0.085 0.000 0.651 338 V HN 0.375 nan 8.190 nan 0.000 0.450 339 N N 0.190 118.835 118.700 -0.092 0.000 2.080 339 N HA -0.127 4.625 4.740 0.020 0.000 0.189 339 N C 1.882 177.340 175.510 -0.086 0.000 1.036 339 N CA 2.048 55.059 53.050 -0.067 0.000 0.846 339 N CB -0.944 37.522 38.487 -0.035 0.000 1.015 339 N HN 0.461 nan 8.380 nan 0.000 0.423 340 T N 1.881 116.382 114.554 -0.089 0.000 2.929 340 T HA 0.007 4.369 4.350 0.020 0.000 0.271 340 T C 2.096 176.711 174.700 -0.141 0.000 1.085 340 T CA 0.549 62.599 62.100 -0.085 0.000 1.125 340 T CB -0.104 68.735 68.868 -0.047 0.000 0.874 340 T HN 0.129 nan 8.240 nan 0.000 0.494 341 L N 0.155 121.225 121.223 -0.254 0.000 2.068 341 L HA 0.018 4.370 4.340 0.020 0.000 0.204 341 L C 2.040 178.835 176.870 -0.125 0.000 1.076 341 L CA 0.959 55.634 54.840 -0.274 0.000 0.753 341 L CB -0.312 41.437 42.059 -0.517 0.000 0.910 341 L HN 0.107 nan 8.230 nan 0.000 0.439 342 Q N -0.168 119.576 119.800 -0.093 0.000 2.283 342 Q HA -0.071 4.281 4.340 0.020 0.000 0.223 342 Q C 0.890 176.869 176.000 -0.035 0.000 0.918 342 Q CA 0.392 56.171 55.803 -0.040 0.000 0.952 342 Q CB 0.042 28.763 28.738 -0.029 0.000 1.030 342 Q HN 0.384 nan 8.270 nan 0.000 0.452 343 E N -1.556 118.618 120.200 -0.043 0.000 2.521 343 E HA -0.003 4.359 4.350 0.020 0.000 0.199 343 E C 0.740 177.320 176.600 -0.034 0.000 1.006 343 E CA 0.055 56.435 56.400 -0.032 0.000 1.630 343 E CB 0.301 29.982 29.700 -0.033 0.000 2.725 343 E HN -0.039 nan 8.360 nan 0.000 1.103 344 K N 1.037 121.408 120.400 -0.048 0.000 2.439 344 K HA 0.089 4.422 4.320 0.020 0.000 0.197 344 K C 0.476 177.056 176.600 -0.032 0.000 1.041 344 K CA 1.047 57.309 56.287 -0.042 0.000 0.970 344 K CB 0.378 32.843 32.500 -0.059 0.000 0.773 344 K HN 0.314 nan 8.250 nan 0.000 0.479 345 G N 0.843 109.626 108.800 -0.028 0.000 2.884 345 G HA2 0.045 4.018 3.960 0.020 0.000 0.261 345 G HA3 0.045 4.018 3.960 0.020 0.000 0.261 345 G C -0.315 174.584 174.900 -0.003 0.000 1.025 345 G CA -0.003 45.089 45.100 -0.013 0.000 1.228 345 G HN 0.476 nan 8.290 nan 0.000 0.558 346 A N 1.596 124.421 122.820 0.008 0.000 2.568 346 A HA 0.898 5.230 4.320 0.020 0.000 0.291 346 A C -0.356 177.242 177.584 0.023 0.000 1.159 346 A CA -0.659 51.391 52.037 0.022 0.000 0.679 346 A CB 1.086 20.113 19.000 0.044 0.000 1.285 346 A HN 0.727 nan 8.150 nan 0.000 0.428 347 N N 0.318 119.030 118.700 0.019 0.000 2.321 347 N HA 0.715 5.467 4.740 0.020 0.000 0.299 347 N C -0.869 174.627 175.510 -0.023 0.000 1.048 347 N CA -0.771 52.279 53.050 -0.001 0.000 0.836 347 N CB 1.506 39.991 38.487 -0.003 0.000 1.269 347 N HN 0.752 nan 8.380 nan 0.000 0.486 348 R N 0.977 121.437 120.500 -0.067 0.000 2.993 348 R HA 0.113 4.465 4.340 0.020 0.000 0.288 348 R C -2.518 173.685 176.300 -0.162 0.000 0.982 348 R CA -0.744 55.239 56.100 -0.195 0.000 0.832 348 R CB 0.258 30.302 30.300 -0.426 0.000 1.340 348 R HN 0.573 nan 8.270 nan 0.000 0.516 349 D N 0.472 120.747 120.400 -0.208 0.000 2.481 349 D HA 0.306 4.958 4.640 0.020 0.000 0.246 349 D C -0.647 175.482 176.300 -0.284 0.000 1.109 349 D CA -0.500 53.441 54.000 -0.098 0.000 0.845 349 D CB 0.883 41.706 40.800 0.039 0.000 1.160 349 D HN 0.334 nan 8.370 nan 0.000 0.534 350 F N 1.326 121.188 119.950 -0.147 0.000 2.727 350 F HA 0.049 4.588 4.527 0.021 0.000 0.302 350 F C 2.294 177.741 175.800 -0.588 0.000 1.097 350 F CA -0.235 57.466 58.000 -0.498 0.000 1.330 350 F CB 0.284 39.005 39.000 -0.465 0.000 1.084 350 F HN 0.311 nan 8.300 nan 0.000 0.578 351 S N 0.606 116.230 115.700 -0.125 0.000 2.420 351 S HA -0.287 4.196 4.470 0.020 0.000 0.237 351 S C 1.940 176.519 174.600 -0.036 0.000 1.023 351 S CA 1.693 59.864 58.200 -0.049 0.000 0.991 351 S CB -1.034 62.184 63.200 0.031 0.000 0.792 351 S HN 0.613 nan 8.310 nan 0.000 0.488 352 F N 1.571 121.567 119.950 0.076 0.000 2.269 352 F HA -0.005 4.534 4.527 0.020 0.000 0.301 352 F C 1.772 177.654 175.800 0.137 0.000 1.082 352 F CA 0.241 58.303 58.000 0.103 0.000 1.360 352 F CB -0.864 38.193 39.000 0.096 0.000 1.041 352 F HN 0.055 nan 8.300 nan 0.000 0.512 353 I N 1.581 121.905 120.570 -0.410 0.000 2.248 353 I HA -0.273 3.909 4.170 0.020 0.000 0.248 353 I C 2.422 178.552 176.117 0.021 0.000 1.107 353 I CA 1.324 62.556 61.300 -0.113 0.000 1.373 353 I CB -1.004 36.940 38.000 -0.094 0.000 1.055 353 I HN 0.254 nan 8.210 nan 0.000 0.418 354 I N 0.657 121.234 120.570 0.012 0.000 2.493 354 I HA -0.184 3.998 4.170 0.020 0.000 0.254 354 I C 2.270 178.431 176.117 0.074 0.000 1.160 354 I CA 1.044 62.371 61.300 0.044 0.000 1.445 354 I CB -1.203 36.815 38.000 0.031 0.000 1.086 354 I HN 0.219 nan 8.210 nan 0.000 0.433 355 K N 0.995 121.459 120.400 0.106 0.000 2.217 355 K HA -0.006 4.327 4.320 0.020 0.000 0.202 355 K C 0.896 177.581 176.600 0.140 0.000 1.051 355 K CA 0.412 56.775 56.287 0.126 0.000 0.952 355 K CB -0.146 32.450 32.500 0.160 0.000 0.736 355 K HN 0.504 nan 8.250 nan 0.000 0.453 356 Q N 1.105 120.999 119.800 0.157 0.000 2.260 356 Q HA 0.176 4.528 4.340 0.020 0.000 0.238 356 Q C -0.334 175.742 176.000 0.126 0.000 0.948 356 Q CA -0.354 55.548 55.803 0.165 0.000 0.895 356 Q CB 0.891 29.747 28.738 0.198 0.000 1.218 356 Q HN 0.062 nan 8.270 nan 0.000 0.470 357 N N 0.189 118.970 118.700 0.136 0.000 2.319 357 N HA 0.611 5.363 4.740 0.020 0.000 0.305 357 N C -0.087 175.467 175.510 0.074 0.000 1.103 357 N CA 0.217 53.340 53.050 0.122 0.000 0.815 357 N CB 1.888 40.476 38.487 0.169 0.000 1.288 357 N HN 0.845 nan 8.380 nan 0.000 0.493 358 G N 0.352 109.177 108.800 0.042 0.000 2.587 358 G HA2 -0.232 3.740 3.960 0.020 0.000 0.212 358 G HA3 -0.232 3.740 3.960 0.020 0.000 0.212 358 G C 0.504 175.250 174.900 -0.257 0.000 1.327 358 G CA -0.154 44.887 45.100 -0.099 0.000 0.898 358 G HN 0.479 nan 8.290 nan 0.000 0.551 359 M N -0.372 118.882 119.600 -0.577 0.000 2.506 359 M HA 0.298 4.791 4.480 0.020 0.000 0.260 359 M C 0.148 175.935 176.300 -0.856 0.000 1.104 359 M CA 1.112 55.948 55.300 -0.773 0.000 1.112 359 M CB 0.046 31.973 32.600 -1.122 0.000 1.401 359 M HN 0.232 nan 8.290 nan 0.000 0.473 360 F N 0.020 119.846 119.950 -0.206 0.000 2.522 360 F HA 0.556 5.095 4.527 0.020 0.000 0.324 360 F C 0.262 175.985 175.800 -0.129 0.000 1.077 360 F CA -1.088 56.810 58.000 -0.170 0.000 0.944 360 F CB 1.642 40.526 39.000 -0.194 0.000 1.175 360 F HN -0.131 nan 8.300 nan 0.000 0.468 361 S N 0.486 116.241 115.700 0.091 0.000 2.547 361 S HA 0.644 5.126 4.470 0.020 0.000 0.270 361 S C -1.547 173.117 174.600 0.107 0.000 1.150 361 S CA -0.922 57.315 58.200 0.062 0.000 0.850 361 S CB 1.159 64.448 63.200 0.149 0.000 1.118 361 S HN 0.241 nan 8.310 nan 0.000 0.461 362 F N 2.930 122.978 119.950 0.162 0.000 2.472 362 F HA 0.344 4.884 4.527 0.021 0.000 0.364 362 F C 2.030 178.040 175.800 0.350 0.000 1.090 362 F CA -0.930 57.171 58.000 0.167 0.000 1.188 362 F CB 1.029 40.055 39.000 0.043 0.000 1.105 362 F HN 0.845 nan 8.300 nan 0.000 0.536 363 S N 1.291 117.312 115.700 0.535 0.000 2.481 363 S HA 0.130 4.612 4.470 0.020 0.000 0.231 363 S C 1.609 176.614 174.600 0.675 0.000 0.996 363 S CA 0.394 58.944 58.200 0.584 0.000 0.942 363 S CB -0.471 62.959 63.200 0.384 0.000 0.768 363 S HN 1.230 nan 8.310 nan 0.000 0.520 364 G N 0.490 109.586 108.800 0.494 0.000 2.149 364 G HA2 -0.179 3.793 3.960 0.020 0.000 0.235 364 G HA3 -0.179 3.793 3.960 0.020 0.000 0.235 364 G C -0.304 174.769 174.900 0.288 0.000 1.018 364 G CA 0.015 45.350 45.100 0.392 0.000 0.728 364 G HN 0.413 nan 8.290 nan 0.000 0.508 365 L N 1.746 123.120 121.223 0.251 0.000 2.375 365 L HA 0.678 5.030 4.340 0.020 0.000 0.271 365 L C 1.500 178.433 176.870 0.104 0.000 1.107 365 L CA 0.132 55.082 54.840 0.183 0.000 0.806 365 L CB 1.215 43.383 42.059 0.182 0.000 1.146 365 L HN 0.432 nan 8.230 nan 0.000 0.447 366 T N -0.620 113.983 114.554 0.083 0.000 2.882 366 T HA 0.235 4.597 4.350 0.020 0.000 0.287 366 T C 1.152 175.875 174.700 0.038 0.000 1.014 366 T CA -0.342 61.785 62.100 0.045 0.000 1.049 366 T CB 0.568 69.461 68.868 0.041 0.000 1.001 366 T HN 0.698 nan 8.240 nan 0.000 0.525 367 K N 1.161 121.572 120.400 0.018 0.000 2.074 367 K HA -0.266 4.066 4.320 0.020 0.000 0.209 367 K C 1.962 178.576 176.600 0.023 0.000 1.048 367 K CA 1.961 58.258 56.287 0.018 0.000 0.926 367 K CB -0.501 32.003 32.500 0.007 0.000 0.713 367 K HN 0.879 nan 8.250 nan 0.000 0.444 368 E N 1.285 121.500 120.200 0.025 0.000 2.110 368 E HA -0.272 4.090 4.350 0.020 0.000 0.193 368 E C 2.158 178.783 176.600 0.042 0.000 0.988 368 E CA 1.240 57.656 56.400 0.028 0.000 0.804 368 E CB -0.266 29.450 29.700 0.026 0.000 0.745 368 E HN 0.510 nan 8.360 nan 0.000 0.458 369 Q N 0.694 120.527 119.800 0.055 0.000 2.083 369 Q HA -0.091 4.261 4.340 0.020 0.000 0.198 369 Q C 2.627 178.672 176.000 0.075 0.000 0.969 369 Q CA 1.759 57.607 55.803 0.075 0.000 0.838 369 Q CB 0.060 28.851 28.738 0.090 0.000 0.900 369 Q HN 0.438 nan 8.270 nan 0.000 0.436 370 V N -1.639 118.311 119.914 0.060 0.000 2.667 370 V HA -0.144 3.988 4.120 0.020 0.000 0.252 370 V C 1.912 178.016 176.094 0.017 0.000 1.065 370 V CA 1.181 63.511 62.300 0.049 0.000 1.083 370 V CB -0.485 31.367 31.823 0.048 0.000 0.692 370 V HN 0.293 nan 8.190 nan 0.000 0.468 371 L N -0.157 121.073 121.223 0.011 0.000 2.056 371 L HA -0.075 4.277 4.340 0.020 0.000 0.207 371 L C 3.039 179.907 176.870 -0.003 0.000 1.078 371 L CA 2.034 56.865 54.840 -0.014 0.000 0.749 371 L CB -0.360 41.696 42.059 -0.005 0.000 0.901 371 L HN 0.299 nan 8.230 nan 0.000 0.433 372 R N -0.475 120.048 120.500 0.038 0.000 2.083 372 R HA -0.233 4.119 4.340 0.020 0.000 0.237 372 R C 2.279 178.660 176.300 0.136 0.000 1.137 372 R CA 1.602 57.744 56.100 0.070 0.000 0.951 372 R CB -0.310 30.054 30.300 0.107 0.000 0.851 372 R HN 0.198 nan 8.270 nan 0.000 0.434 373 L N 1.140 122.466 121.223 0.171 0.000 2.013 373 L HA -0.228 4.124 4.340 0.020 0.000 0.212 373 L C 2.613 179.579 176.870 0.160 0.000 1.073 373 L CA 1.946 56.935 54.840 0.248 0.000 0.753 373 L CB -0.549 41.586 42.059 0.125 0.000 0.890 373 L HN 0.179 nan 8.230 nan 0.000 0.432 374 R N -0.822 119.660 120.500 -0.030 0.000 2.073 374 R HA -0.137 4.215 4.340 0.020 0.000 0.229 374 R C 2.134 178.344 176.300 -0.151 0.000 1.120 374 R CA 1.585 57.538 56.100 -0.245 0.000 0.967 374 R CB -0.116 29.943 30.300 -0.401 0.000 0.862 374 R HN 0.464 nan 8.270 nan 0.000 0.436 375 E N 0.017 120.162 120.200 -0.092 0.000 2.016 375 E HA -0.138 4.224 4.350 0.020 0.000 0.190 375 E C 1.966 178.489 176.600 -0.129 0.000 0.985 375 E CA 0.972 57.322 56.400 -0.084 0.000 0.802 375 E CB 0.040 29.697 29.700 -0.071 0.000 0.762 375 E HN 0.371 nan 8.360 nan 0.000 0.448 376 E N -0.641 119.425 120.200 -0.223 0.000 2.216 376 E HA -0.083 4.279 4.350 0.020 0.000 0.192 376 E C 1.118 177.223 176.600 -0.825 0.000 0.988 376 E CA 0.743 56.802 56.400 -0.567 0.000 0.834 376 E CB 0.258 29.459 29.700 -0.831 0.000 0.772 376 E HN 0.193 nan 8.360 nan 0.000 0.479 377 F N -1.466 118.500 119.950 0.026 0.000 2.789 377 F HA 0.295 4.834 4.527 0.020 0.000 0.320 377 F C 1.327 177.177 175.800 0.082 0.000 1.079 377 F CA 0.422 58.450 58.000 0.047 0.000 1.205 377 F CB 1.040 40.068 39.000 0.046 0.000 1.046 377 F HN -0.021 nan 8.300 nan 0.000 0.586 378 G N 1.549 110.477 108.800 0.213 0.000 2.160 378 G HA2 -0.231 3.742 3.960 0.020 0.000 0.244 378 G HA3 -0.231 3.742 3.960 0.020 0.000 0.244 378 G C -0.227 174.930 174.900 0.429 0.000 1.022 378 G CA 0.120 45.409 45.100 0.314 0.000 0.741 378 G HN 0.161 nan 8.290 nan 0.000 0.508 379 V N 0.634 120.725 119.914 0.295 0.000 2.432 379 V HA 0.502 4.635 4.120 0.020 0.000 0.275 379 V C -0.030 176.193 176.094 0.215 0.000 1.043 379 V CA -0.734 61.733 62.300 0.278 0.000 0.925 379 V CB 0.949 32.871 31.823 0.165 0.000 0.985 379 V HN 0.231 nan 8.190 nan 0.000 0.466 380 Y N 3.506 123.879 120.300 0.122 0.000 2.342 380 Y HA 0.704 5.267 4.550 0.021 0.000 0.338 380 Y C 0.448 176.371 175.900 0.037 0.000 0.965 380 Y CA -0.344 57.816 58.100 0.100 0.000 1.159 380 Y CB 1.552 40.089 38.460 0.129 0.000 1.157 380 Y HN 0.749 nan 8.280 nan 0.000 0.486 381 A N 2.460 125.335 122.820 0.091 0.000 2.430 381 A HA 0.792 5.124 4.320 0.020 0.000 0.300 381 A C -1.131 176.505 177.584 0.086 0.000 1.124 381 A CA -0.824 51.264 52.037 0.085 0.000 0.766 381 A CB 0.914 19.959 19.000 0.075 0.000 1.328 381 A HN 0.417 nan 8.150 nan 0.000 0.424 382 V N 1.501 121.475 119.914 0.100 0.000 2.715 382 V HA 0.280 4.412 4.120 0.020 0.000 0.299 382 V C 1.860 178.008 176.094 0.091 0.000 1.054 382 V CA 0.817 63.175 62.300 0.095 0.000 1.077 382 V CB 1.091 32.976 31.823 0.104 0.000 0.972 382 V HN 1.307 nan 8.190 nan 0.000 0.484 383 A N 3.749 126.607 122.820 0.064 0.000 2.042 383 A HA -0.185 4.148 4.320 0.020 0.000 0.222 383 A C 2.193 179.799 177.584 0.036 0.000 1.167 383 A CA 2.238 54.301 52.037 0.043 0.000 0.649 383 A CB -0.643 18.373 19.000 0.027 0.000 0.809 383 A HN 1.132 nan 8.150 nan 0.000 0.457 384 S N -1.886 113.853 115.700 0.064 0.000 2.603 384 S HA 0.317 4.799 4.470 0.020 0.000 0.229 384 S C 1.505 176.104 174.600 -0.002 0.000 0.972 384 S CA 1.050 59.249 58.200 -0.002 0.000 0.935 384 S CB -0.585 62.721 63.200 0.177 0.000 0.769 384 S HN 1.983 nan 8.310 nan 0.000 0.536 385 G N 1.399 110.278 108.800 0.132 0.000 2.159 385 G HA2 -0.320 3.652 3.960 0.020 0.000 0.256 385 G HA3 -0.320 3.652 3.960 0.020 0.000 0.256 385 G C 0.095 175.214 174.900 0.365 0.000 0.977 385 G CA 0.118 45.341 45.100 0.205 0.000 0.652 385 G HN 0.688 nan 8.290 nan 0.000 0.531 386 R N 0.140 120.898 120.500 0.430 0.000 2.401 386 R HA 0.480 4.832 4.340 0.020 0.000 0.299 386 R C -0.465 175.954 176.300 0.198 0.000 1.064 386 R CA -0.085 56.216 56.100 0.335 0.000 1.000 386 R CB 0.684 31.111 30.300 0.212 0.000 0.973 386 R HN 0.103 nan 8.270 nan 0.000 0.438 387 V N 4.800 124.801 119.914 0.146 0.000 2.628 387 V HA 0.179 4.312 4.120 0.020 0.000 0.306 387 V C -0.541 175.560 176.094 0.012 0.000 1.045 387 V CA -0.944 61.371 62.300 0.025 0.000 0.905 387 V CB 1.961 33.752 31.823 -0.054 0.000 0.997 387 V HN 0.763 nan 8.190 nan 0.000 0.436 388 N N 4.510 123.180 118.700 -0.051 0.000 2.462 388 N HA 0.171 4.923 4.740 0.020 0.000 0.242 388 N C 0.720 176.049 175.510 -0.302 0.000 1.010 388 N CA -0.021 52.898 53.050 -0.217 0.000 0.939 388 N CB 1.750 40.126 38.487 -0.186 0.000 1.127 388 N HN 0.378 nan 8.380 nan 0.000 0.509 389 V N 3.675 123.382 119.914 -0.345 0.000 2.392 389 V HA -0.247 3.885 4.120 0.020 0.000 0.249 389 V C 2.222 178.148 176.094 -0.280 0.000 1.059 389 V CA 2.295 64.404 62.300 -0.318 0.000 1.051 389 V CB -0.861 30.804 31.823 -0.264 0.000 0.658 389 V HN 0.803 nan 8.190 nan 0.000 0.455 390 A N 0.158 122.794 122.820 -0.307 0.000 2.225 390 A HA -0.009 4.323 4.320 0.020 0.000 0.215 390 A C 2.114 179.499 177.584 -0.331 0.000 1.164 390 A CA 1.401 53.234 52.037 -0.339 0.000 0.710 390 A CB -0.676 18.071 19.000 -0.422 0.000 0.780 390 A HN 0.576 nan 8.150 nan 0.000 0.473 391 G N -1.360 107.276 108.800 -0.274 0.000 3.042 391 G HA2 0.349 4.321 3.960 0.020 0.000 0.212 391 G HA3 0.349 4.321 3.960 0.020 0.000 0.212 391 G C 0.449 175.239 174.900 -0.184 0.000 1.166 391 G CA -0.325 44.638 45.100 -0.228 0.000 0.767 391 G HN 0.451 nan 8.290 nan 0.000 0.546 392 M N 1.883 121.369 119.600 -0.190 0.000 2.264 392 M HA 0.400 4.893 4.480 0.020 0.000 0.352 392 M C 0.179 176.412 176.300 -0.112 0.000 1.173 392 M CA -0.247 54.967 55.300 -0.143 0.000 1.075 392 M CB 1.896 34.395 32.600 -0.167 0.000 1.621 392 M HN 0.099 nan 8.290 nan 0.000 0.457 393 T N -0.735 113.776 114.554 -0.071 0.000 2.916 393 T HA 0.536 4.898 4.350 0.020 0.000 0.292 393 T C -2.536 172.148 174.700 -0.027 0.000 1.064 393 T CA -1.906 60.162 62.100 -0.053 0.000 1.011 393 T CB 1.786 70.626 68.868 -0.047 0.000 1.152 393 T HN 0.282 nan 8.240 nan 0.000 0.510 394 P HA 0.023 nan 4.420 nan 0.000 0.222 394 P C 0.747 178.046 177.300 -0.002 0.000 1.147 394 P CA 0.724 63.821 63.100 -0.005 0.000 0.790 394 P CB 0.081 31.779 31.700 -0.003 0.000 0.780 395 D N -0.522 119.876 120.400 -0.004 0.000 2.123 395 D HA -0.102 4.550 4.640 0.020 0.000 0.200 395 D C 1.367 177.670 176.300 0.005 0.000 0.976 395 D CA 1.224 55.224 54.000 0.001 0.000 0.831 395 D CB -0.683 40.117 40.800 0.001 0.000 0.974 395 D HN 0.324 nan 8.370 nan 0.000 0.469 396 N N -0.007 118.694 118.700 0.001 0.000 2.336 396 N HA -0.028 4.724 4.740 0.020 0.000 0.189 396 N C 1.404 176.922 175.510 0.013 0.000 1.113 396 N CA 0.090 53.146 53.050 0.010 0.000 0.858 396 N CB -0.233 38.259 38.487 0.010 0.000 0.970 396 N HN -0.048 nan 8.380 nan 0.000 0.471 397 M N 0.483 120.090 119.600 0.012 0.000 2.267 397 M HA 0.108 4.600 4.480 0.020 0.000 0.263 397 M C 1.682 177.999 176.300 0.028 0.000 1.063 397 M CA 1.118 56.437 55.300 0.031 0.000 1.090 397 M CB -0.352 32.266 32.600 0.030 0.000 1.392 397 M HN 0.354 nan 8.290 nan 0.000 0.422 398 A N 0.096 122.924 122.820 0.013 0.000 1.911 398 A HA 0.150 4.483 4.320 0.020 0.000 0.212 398 A C -0.405 177.179 177.584 -0.000 0.000 1.189 398 A CA 0.454 52.493 52.037 0.002 0.000 0.639 398 A CB -1.829 17.172 19.000 0.001 0.000 0.839 398 A HN 0.437 nan 8.150 nan 0.000 0.449 399 P HA -0.206 nan 4.420 nan 0.000 0.216 399 P C 1.845 179.142 177.300 -0.005 0.000 1.153 399 P CA 0.986 64.097 63.100 0.017 0.000 0.858 399 P CB -0.190 31.537 31.700 0.046 0.000 0.789 400 L N 0.073 121.305 121.223 0.014 0.000 1.970 400 L HA -0.174 4.178 4.340 0.020 0.000 0.212 400 L C 2.395 179.266 176.870 0.001 0.000 1.071 400 L CA 2.316 57.167 54.840 0.019 0.000 0.751 400 L CB -1.326 40.759 42.059 0.043 0.000 0.889 400 L HN 0.050 nan 8.230 nan 0.000 0.432 401 C N 0.369 119.675 119.300 0.010 0.000 2.401 401 C HA -0.205 4.267 4.460 0.020 0.000 0.276 401 C C 2.571 177.495 174.990 -0.110 0.000 1.233 401 C CA 1.172 60.153 59.018 -0.061 0.000 1.753 401 C CB -0.956 26.735 27.740 -0.081 0.000 2.029 401 C HN 0.604 nan 8.230 nan 0.000 0.478 402 E N 0.733 120.871 120.200 -0.104 0.000 2.033 402 E HA -0.242 4.120 4.350 0.020 0.000 0.199 402 E C 2.256 178.689 176.600 -0.280 0.000 1.011 402 E CA 1.821 58.140 56.400 -0.135 0.000 0.815 402 E CB -0.280 29.365 29.700 -0.091 0.000 0.755 402 E HN 0.594 nan 8.360 nan 0.000 0.451 403 A N 0.517 123.096 122.820 -0.401 0.000 1.883 403 A HA -0.215 4.118 4.320 0.020 0.000 0.217 403 A C 2.258 179.509 177.584 -0.555 0.000 1.186 403 A CA 1.666 53.182 52.037 -0.868 0.000 0.624 403 A CB -0.737 17.896 19.000 -0.612 0.000 0.822 403 A HN 0.339 nan 8.150 nan 0.000 0.444 404 I N -0.761 119.661 120.570 -0.246 0.000 2.252 404 I HA -0.201 3.981 4.170 0.020 0.000 0.245 404 I C 2.398 178.459 176.117 -0.093 0.000 1.102 404 I CA 0.982 62.215 61.300 -0.113 0.000 1.385 404 I CB -0.342 37.627 38.000 -0.051 0.000 1.064 404 I HN 0.167 nan 8.210 nan 0.000 0.414 405 V N 1.266 121.112 119.914 -0.113 0.000 2.233 405 V HA -0.258 3.874 4.120 0.020 0.000 0.247 405 V C 1.751 177.814 176.094 -0.053 0.000 1.050 405 V CA 1.566 63.829 62.300 -0.062 0.000 1.010 405 V CB -0.902 30.879 31.823 -0.070 0.000 0.637 405 V HN 0.475 nan 8.190 nan 0.000 0.444 409 L N 0.000 121.263 121.223 0.067 0.000 2.949 409 L HA 0.000 4.352 4.340 0.020 0.000 0.249 409 L CA 0.000 54.890 54.840 0.083 0.000 0.813 409 L CB 0.000 42.114 42.059 0.091 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502