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 3nnk_1_K DATA FIRST_RESID 2 DATA SEQUENCE DITQFSQLNP PSRLLMGPGP INADPRVLRA MSSQLIGQYD PAMTHYMNEV DATA SEQUENCE MALYRGVFRT ENRWTMLVDG TSRAGIEAIL VSAIRPGDKV LVPVFGRFGH DATA SEQUENCE LLCEIARRCR AEVHTIEVPW GEVFTPDQVE DAVKRIRPRL LLTVQGDTST DATA SEQUENCE TMLQPLAELG EICRRYDALF YTDATASLGG NPLETDVWGL DAVSAGMQXC DATA SEQUENCE LGGPSGTSPI TLSARMEEAI RRRKCVEEGI RTDAHRDGDE EMIYSNYFDL DATA SEQUENCE GMVMDYWGPE RLNHHTEATT ALFGARECAR LILQEGLDYG IARHKLHGDA DATA SEQUENCE LVKGIQAMGL ETFGDLKHKM NNVLGVVIPQ GINGDQARKL MLEDFGIEIG DATA SEQUENCE TSFGPLHGKV WRIGTMGYNA RKDCVMTTLS ALEAVLNYLK FPTTQGAAMQ DATA SEQUENCE AAWDHYRSER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.465 176.300 0.274 0.000 2.045 2 D CA 0.000 54.079 54.000 0.131 0.000 0.868 2 D CB 0.000 40.841 40.800 0.069 0.000 0.688 3 I N -0.426 120.294 120.570 0.249 0.000 2.716 3 I HA 0.045 4.215 4.170 -0.000 0.000 0.259 3 I C 2.771 179.082 176.117 0.323 0.000 1.172 3 I CA 2.774 64.289 61.300 0.358 0.000 1.478 3 I CB 0.059 38.136 38.000 0.128 0.000 1.104 3 I HN 0.735 nan 8.210 nan 0.000 0.439 4 T N -0.594 114.055 114.554 0.159 0.000 2.849 4 T HA -0.265 4.085 4.350 -0.000 0.000 0.270 4 T C 1.543 176.274 174.700 0.051 0.000 1.066 4 T CA 1.476 63.630 62.100 0.090 0.000 1.130 4 T CB -0.791 68.105 68.868 0.048 0.000 0.864 4 T HN 0.690 nan 8.240 nan 0.000 0.481 5 Q N 0.124 119.917 119.800 -0.010 0.000 2.415 5 Q HA 0.191 4.531 4.340 -0.000 0.000 0.206 5 Q C -0.383 175.429 176.000 -0.314 0.000 0.946 5 Q CA -0.006 55.695 55.803 -0.169 0.000 0.951 5 Q CB -0.479 28.110 28.738 -0.248 0.000 1.026 5 Q HN 0.551 nan 8.270 nan 0.000 0.510 6 F N 2.664 122.617 119.950 0.005 0.000 2.329 6 F HA 0.250 4.777 4.527 -0.000 0.000 0.362 6 F C 0.374 176.177 175.800 0.005 0.000 1.113 6 F CA -0.905 57.098 58.000 0.005 0.000 1.212 6 F CB 0.701 39.704 39.000 0.005 0.000 1.509 6 F HN 0.019 nan 8.300 nan 0.000 0.546 7 S N 1.146 116.911 115.700 0.108 0.000 2.655 7 S HA 0.348 4.818 4.470 -0.000 0.000 0.265 7 S C -0.135 174.511 174.600 0.077 0.000 1.240 7 S CA -1.178 57.066 58.200 0.074 0.000 0.986 7 S CB 0.780 63.999 63.200 0.032 0.000 0.985 7 S HN 0.632 nan 8.310 nan 0.000 0.562 8 Q N 0.386 120.218 119.800 0.054 0.000 2.428 8 Q HA 0.196 4.536 4.340 -0.000 0.000 0.276 8 Q C -0.271 175.755 176.000 0.044 0.000 1.059 8 Q CA -0.631 55.200 55.803 0.046 0.000 0.923 8 Q CB 0.150 28.908 28.738 0.033 0.000 1.283 8 Q HN 0.600 nan 8.270 nan 0.000 0.447 9 L N 2.701 123.948 121.223 0.041 0.000 2.601 9 L HA -0.032 4.308 4.340 -0.000 0.000 0.277 9 L C -0.339 176.549 176.870 0.030 0.000 1.219 9 L CA 1.396 56.258 54.840 0.038 0.000 0.915 9 L CB -0.411 41.668 42.059 0.033 0.000 1.160 9 L HN 1.097 nan 8.230 nan 0.000 0.494 10 N N 5.921 124.639 118.700 0.030 0.000 2.785 10 N HA 0.258 4.998 4.740 -0.000 0.000 0.224 10 N C -2.483 173.041 175.510 0.023 0.000 1.448 10 N CA -0.808 52.256 53.050 0.023 0.000 0.748 10 N CB 1.012 39.511 38.487 0.020 0.000 1.385 10 N HN 0.434 nan 8.380 nan 0.000 0.538 11 P HA 0.336 nan 4.420 nan 0.000 0.276 11 P C -2.508 174.806 177.300 0.023 0.000 1.230 11 P CA -0.679 62.437 63.100 0.026 0.000 0.776 11 P CB 0.451 32.168 31.700 0.029 0.000 0.888 12 P HA 0.064 nan 4.420 nan 0.000 0.272 12 P C -0.078 177.236 177.300 0.022 0.000 1.230 12 P CA -0.286 62.825 63.100 0.019 0.000 0.788 12 P CB 0.531 32.241 31.700 0.017 0.000 0.949 13 S N 1.945 117.656 115.700 0.020 0.000 2.525 13 S HA 0.130 4.600 4.470 -0.000 0.000 0.285 13 S C -0.050 174.567 174.600 0.028 0.000 1.283 13 S CA -0.336 57.879 58.200 0.024 0.000 1.072 13 S CB -0.594 62.618 63.200 0.021 0.000 0.867 13 S HN 0.244 nan 8.310 nan 0.000 0.492 14 R N 3.470 123.990 120.500 0.034 0.000 2.628 14 R HA 0.372 4.712 4.340 -0.000 0.000 0.288 14 R C -1.376 174.946 176.300 0.038 0.000 0.980 14 R CA -0.875 55.246 56.100 0.035 0.000 0.891 14 R CB 1.434 31.756 30.300 0.037 0.000 1.188 14 R HN 0.565 nan 8.270 nan 0.000 0.450 15 L N 4.153 125.394 121.223 0.030 0.000 2.270 15 L HA 0.348 4.688 4.340 -0.000 0.000 0.286 15 L C -0.638 176.242 176.870 0.016 0.000 1.059 15 L CA -0.107 54.745 54.840 0.021 0.000 0.839 15 L CB 0.404 42.466 42.059 0.005 0.000 1.221 15 L HN 0.487 nan 8.230 nan 0.000 0.431 16 L N 6.756 127.997 121.223 0.029 0.000 2.385 16 L HA 0.237 4.577 4.340 -0.000 0.000 0.285 16 L C 0.300 177.183 176.870 0.021 0.000 1.125 16 L CA 0.078 54.938 54.840 0.032 0.000 0.890 16 L CB 0.206 42.295 42.059 0.050 0.000 1.251 16 L HN 0.619 nan 8.230 nan 0.000 0.445 17 M N 2.537 122.139 119.600 0.004 0.000 2.869 17 M HA 0.284 4.764 4.480 -0.000 0.000 0.353 17 M C 0.615 176.918 176.300 0.005 0.000 1.224 17 M CA -0.099 55.198 55.300 -0.005 0.000 0.917 17 M CB 0.268 32.846 32.600 -0.036 0.000 1.322 17 M HN 0.490 nan 8.290 nan 0.000 0.516 18 G N 1.473 110.289 108.800 0.027 0.000 2.736 18 G HA2 0.525 4.485 3.960 -0.000 0.000 0.229 18 G HA3 0.525 4.485 3.960 -0.000 0.000 0.229 18 G C -1.985 172.954 174.900 0.066 0.000 1.380 18 G CA -0.538 44.587 45.100 0.042 0.000 1.040 18 G HN 0.150 nan 8.290 nan 0.000 0.568 19 P HA 0.232 nan 4.420 nan 0.000 0.249 19 P C 0.538 177.903 177.300 0.110 0.000 1.229 19 P CA 0.995 64.159 63.100 0.107 0.000 0.788 19 P CB 0.548 32.330 31.700 0.137 0.000 1.072 20 G N 1.152 110.013 108.800 0.101 0.000 2.525 20 G HA2 0.042 4.002 3.960 -0.000 0.000 0.685 20 G HA3 0.042 4.002 3.960 -0.000 0.000 0.685 20 G C -3.167 171.798 174.900 0.108 0.000 1.285 20 G CA -0.933 44.225 45.100 0.098 0.000 0.849 20 G HN -0.037 nan 8.290 nan 0.000 0.653 21 P HA 0.613 nan 4.420 nan 0.000 0.272 21 P C 0.043 177.389 177.300 0.077 0.000 1.230 21 P CA -0.256 62.892 63.100 0.081 0.000 0.788 21 P CB 1.022 32.767 31.700 0.075 0.000 0.949 22 I N -1.971 118.645 120.570 0.077 0.000 3.023 22 I HA 0.469 4.639 4.170 -0.000 0.000 0.312 22 I C -0.287 175.881 176.117 0.085 0.000 1.056 22 I CA -1.420 59.928 61.300 0.079 0.000 1.033 22 I CB 0.610 38.660 38.000 0.082 0.000 1.233 22 I HN 0.103 nan 8.210 nan 0.000 0.462 23 N N 1.853 120.611 118.700 0.097 0.000 2.357 23 N HA 0.338 5.078 4.740 -0.000 0.000 0.257 23 N C -0.280 175.294 175.510 0.106 0.000 1.250 23 N CA 0.406 53.523 53.050 0.111 0.000 0.862 23 N CB 0.450 39.037 38.487 0.166 0.000 1.066 23 N HN 0.877 nan 8.380 nan 0.000 0.468 24 A N 1.718 124.559 122.820 0.035 0.000 2.351 24 A HA 0.070 4.390 4.320 -0.000 0.000 0.257 24 A C 0.156 177.627 177.584 -0.189 0.000 1.087 24 A CA -0.507 51.516 52.037 -0.023 0.000 0.798 24 A CB 0.348 19.333 19.000 -0.024 0.000 1.033 24 A HN 0.667 nan 8.150 nan 0.000 0.488 25 D N 1.884 122.144 120.400 -0.234 0.000 2.417 25 D HA 0.118 4.758 4.640 -0.000 0.000 0.250 25 D C -1.528 174.540 176.300 -0.386 0.000 1.166 25 D CA -1.347 52.347 54.000 -0.511 0.000 0.881 25 D CB 1.066 41.734 40.800 -0.221 0.000 1.164 25 D HN 0.112 nan 8.370 nan 0.000 0.467 26 P HA -0.141 nan 4.420 nan 0.000 0.217 26 P C 0.991 178.204 177.300 -0.146 0.000 1.148 26 P CA 1.261 64.211 63.100 -0.249 0.000 0.828 26 P CB 0.300 31.865 31.700 -0.225 0.000 0.783 27 R N -1.031 119.384 120.500 -0.141 0.000 2.090 27 R HA -0.042 4.298 4.340 -0.000 0.000 0.228 27 R C 2.146 178.410 176.300 -0.061 0.000 1.110 27 R CA 0.939 56.991 56.100 -0.080 0.000 0.973 27 R CB -1.435 28.829 30.300 -0.060 0.000 0.869 27 R HN 0.088 nan 8.270 nan 0.000 0.440 28 V N 1.163 121.039 119.914 -0.064 0.000 2.295 28 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 28 V C 2.226 178.310 176.094 -0.016 0.000 1.049 28 V CA 1.685 63.969 62.300 -0.026 0.000 1.024 28 V CB -0.515 31.297 31.823 -0.017 0.000 0.648 28 V HN 0.246 nan 8.190 nan 0.000 0.447 29 L N -0.494 120.705 121.223 -0.040 0.000 1.990 29 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 29 L C 2.840 179.703 176.870 -0.013 0.000 1.072 29 L CA 1.915 56.741 54.840 -0.024 0.000 0.755 29 L CB -0.639 41.394 42.059 -0.044 0.000 0.889 29 L HN 0.240 nan 8.230 nan 0.000 0.432 30 R N -0.308 120.175 120.500 -0.028 0.000 2.096 30 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 30 R C 2.345 178.631 176.300 -0.022 0.000 1.127 30 R CA 1.227 57.312 56.100 -0.024 0.000 0.968 30 R CB -0.438 29.841 30.300 -0.035 0.000 0.861 30 R HN 0.368 nan 8.270 nan 0.000 0.440 31 A N 0.666 123.470 122.820 -0.026 0.000 2.067 31 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 31 A C 2.002 179.609 177.584 0.039 0.000 1.158 31 A CA 1.077 53.090 52.037 -0.040 0.000 0.661 31 A CB -0.301 18.674 19.000 -0.042 0.000 0.801 31 A HN 0.204 nan 8.150 nan 0.000 0.452 32 M N 0.094 119.737 119.600 0.073 0.000 2.492 32 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 32 M C 1.990 178.354 176.300 0.108 0.000 1.090 32 M CA 1.256 56.630 55.300 0.124 0.000 1.110 32 M CB -0.055 32.592 32.600 0.079 0.000 1.407 32 M HN 0.595 nan 8.290 nan 0.000 0.470 33 S N -1.383 114.353 115.700 0.060 0.000 2.593 33 S HA 0.070 4.540 4.470 -0.000 0.000 0.217 33 S C 0.879 175.508 174.600 0.048 0.000 0.966 33 S CA -0.415 57.812 58.200 0.046 0.000 0.914 33 S CB -0.125 63.087 63.200 0.020 0.000 0.776 33 S HN 0.243 nan 8.310 nan 0.000 0.523 34 S N 1.863 117.593 115.700 0.049 0.000 2.562 34 S HA 0.192 4.662 4.470 -0.000 0.000 0.281 34 S C 0.261 174.924 174.600 0.106 0.000 1.333 34 S CA -0.452 57.750 58.200 0.004 0.000 1.052 34 S CB 0.325 63.412 63.200 -0.188 0.000 0.884 34 S HN 0.481 nan 8.310 nan 0.000 0.506 35 Q N 1.857 121.700 119.800 0.072 0.000 2.535 35 Q HA 0.298 4.638 4.340 -0.000 0.000 0.228 35 Q C -0.337 175.783 176.000 0.199 0.000 1.062 35 Q CA 0.205 56.073 55.803 0.109 0.000 0.967 35 Q CB 0.481 29.258 28.738 0.065 0.000 1.273 35 Q HN 0.636 nan 8.270 nan 0.000 0.554 36 L N 2.512 123.834 121.223 0.164 0.000 2.344 36 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 36 L C 0.527 177.485 176.870 0.147 0.000 1.035 36 L CA -0.758 54.188 54.840 0.178 0.000 0.807 36 L CB 0.938 43.046 42.059 0.082 0.000 1.237 36 L HN 0.483 nan 8.230 nan 0.000 0.442 37 I N -1.188 119.480 120.570 0.163 0.000 3.133 37 I HA 0.673 4.843 4.170 -0.000 0.000 0.311 37 I C 0.435 176.593 176.117 0.067 0.000 1.072 37 I CA -0.633 60.739 61.300 0.121 0.000 1.015 37 I CB 1.239 39.335 38.000 0.161 0.000 1.233 37 I HN 0.568 nan 8.210 nan 0.000 0.473 38 G N 0.794 109.626 108.800 0.054 0.000 2.699 38 G HA2 0.055 4.015 3.960 -0.000 0.000 0.246 38 G HA3 0.055 4.015 3.960 -0.000 0.000 0.246 38 G C 0.366 175.254 174.900 -0.020 0.000 1.219 38 G CA -0.077 45.040 45.100 0.028 0.000 0.866 38 G HN 0.928 nan 8.290 nan 0.000 0.572 39 Q N -0.669 119.087 119.800 -0.073 0.000 2.084 39 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 39 Q C 0.927 176.673 176.000 -0.423 0.000 0.978 39 Q CA 1.483 57.126 55.803 -0.267 0.000 0.844 39 Q CB -0.091 28.449 28.738 -0.331 0.000 0.898 39 Q HN 0.688 nan 8.270 nan 0.000 0.426 40 Y N 0.436 120.724 120.300 -0.020 0.000 2.584 40 Y HA 0.229 4.779 4.550 -0.000 0.000 0.254 40 Y C -0.217 175.670 175.900 -0.021 0.000 1.177 40 Y CA -0.702 57.375 58.100 -0.039 0.000 1.216 40 Y CB 0.501 38.944 38.460 -0.029 0.000 1.172 40 Y HN 0.050 nan 8.280 nan 0.000 0.529 41 D N 1.862 122.316 120.400 0.089 0.000 2.458 41 D HA -0.030 4.610 4.640 -0.000 0.000 0.243 41 D C -1.720 174.615 176.300 0.058 0.000 1.146 41 D CA -1.071 52.973 54.000 0.072 0.000 0.877 41 D CB 1.664 42.506 40.800 0.070 0.000 1.176 41 D HN 0.084 nan 8.370 nan 0.000 0.461 42 P HA -0.170 nan 4.420 nan 0.000 0.217 42 P C 0.872 178.184 177.300 0.020 0.000 1.148 42 P CA 1.441 64.553 63.100 0.020 0.000 0.834 42 P CB 0.160 31.855 31.700 -0.009 0.000 0.783 43 A N -1.289 121.547 122.820 0.027 0.000 1.933 43 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 43 A C 2.203 179.850 177.584 0.105 0.000 1.175 43 A CA 1.982 54.029 52.037 0.017 0.000 0.628 43 A CB -1.282 17.769 19.000 0.086 0.000 0.814 43 A HN 0.117 nan 8.150 nan 0.000 0.444 44 M N 0.666 120.358 119.600 0.154 0.000 2.099 44 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 44 M C 2.233 178.561 176.300 0.047 0.000 1.067 44 M CA 2.606 58.002 55.300 0.159 0.000 1.124 44 M CB -0.898 31.723 32.600 0.036 0.000 1.353 44 M HN 0.549 nan 8.290 nan 0.000 0.410 45 T N -2.573 111.973 114.554 -0.013 0.000 2.915 45 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 45 T C 2.033 176.749 174.700 0.026 0.000 1.071 45 T CA 1.589 63.656 62.100 -0.055 0.000 1.132 45 T CB -0.991 67.855 68.868 -0.037 0.000 0.878 45 T HN 0.628 nan 8.240 nan 0.000 0.479 46 H N -0.270 118.764 119.070 -0.060 0.000 2.326 46 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 46 H C 1.907 177.217 175.328 -0.031 0.000 1.081 46 H CA 1.425 57.419 56.048 -0.090 0.000 1.334 46 H CB -0.342 29.298 29.762 -0.203 0.000 1.385 46 H HN 0.524 nan 8.280 nan 0.000 0.504 47 Y N 0.458 120.696 120.300 -0.104 0.000 2.224 47 Y HA -0.231 4.319 4.550 -0.000 0.000 0.289 47 Y C 3.069 178.969 175.900 0.001 0.000 1.146 47 Y CA 0.996 59.043 58.100 -0.089 0.000 1.182 47 Y CB -0.038 38.476 38.460 0.091 0.000 0.983 47 Y HN 0.214 nan 8.280 nan 0.000 0.524 48 M N -0.167 119.514 119.600 0.136 0.000 2.086 48 M HA -0.261 4.219 4.480 -0.000 0.000 0.261 48 M C 1.686 178.154 176.300 0.281 0.000 1.067 48 M CA 1.932 57.297 55.300 0.109 0.000 1.116 48 M CB -0.503 31.917 32.600 -0.301 0.000 1.348 48 M HN 0.317 nan 8.290 nan 0.000 0.407 49 N N -0.205 118.583 118.700 0.147 0.000 2.166 49 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 49 N C 1.570 177.149 175.510 0.115 0.000 1.019 49 N CA 1.036 54.172 53.050 0.143 0.000 0.856 49 N CB -0.080 38.462 38.487 0.090 0.000 0.993 49 N HN 0.409 nan 8.380 nan 0.000 0.426 50 E N 0.508 120.730 120.200 0.037 0.000 2.077 50 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 50 E C 2.006 178.694 176.600 0.145 0.000 0.989 50 E CA 0.841 57.262 56.400 0.034 0.000 0.800 50 E CB 0.070 29.741 29.700 -0.050 0.000 0.746 50 E HN 0.149 nan 8.360 nan 0.000 0.452 51 V N 1.266 121.330 119.914 0.249 0.000 2.490 51 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 51 V C 2.210 178.527 176.094 0.372 0.000 1.061 51 V CA 1.518 64.031 62.300 0.355 0.000 1.064 51 V CB -0.357 31.746 31.823 0.466 0.000 0.670 51 V HN 0.319 nan 8.190 nan 0.000 0.461 52 M N -0.330 119.454 119.600 0.307 0.000 2.099 52 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 52 M C 2.419 178.820 176.300 0.167 0.000 1.067 52 M CA 2.103 57.530 55.300 0.211 0.000 1.124 52 M CB -0.593 32.118 32.600 0.186 0.000 1.353 52 M HN 0.375 nan 8.290 nan 0.000 0.410 53 A N 0.731 123.627 122.820 0.126 0.000 1.877 53 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 53 A C 2.121 179.743 177.584 0.064 0.000 1.186 53 A CA 1.421 53.503 52.037 0.075 0.000 0.620 53 A CB -0.991 18.040 19.000 0.051 0.000 0.822 53 A HN 0.440 nan 8.150 nan 0.000 0.443 54 L N -2.353 118.904 121.223 0.056 0.000 2.046 54 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 54 L C 2.471 179.273 176.870 -0.113 0.000 1.077 54 L CA 1.380 56.190 54.840 -0.050 0.000 0.747 54 L CB -0.593 41.404 42.059 -0.104 0.000 0.896 54 L HN 0.453 nan 8.230 nan 0.000 0.432 55 Y N -0.237 120.095 120.300 0.054 0.000 2.509 55 Y HA -0.071 4.479 4.550 -0.000 0.000 0.293 55 Y C 2.622 178.627 175.900 0.175 0.000 1.133 55 Y CA 0.647 58.794 58.100 0.079 0.000 1.283 55 Y CB -0.201 38.352 38.460 0.154 0.000 1.001 55 Y HN 0.026 nan 8.280 nan 0.000 0.555 56 R N -0.796 119.841 120.500 0.229 0.000 2.096 56 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 56 R C 2.528 178.879 176.300 0.086 0.000 1.127 56 R CA 1.238 57.430 56.100 0.154 0.000 0.968 56 R CB -0.774 29.570 30.300 0.074 0.000 0.861 56 R HN 0.393 nan 8.270 nan 0.000 0.440 57 G N 0.162 108.975 108.800 0.022 0.000 2.421 57 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 57 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 57 G C 1.435 176.294 174.900 -0.070 0.000 1.143 57 G CA 0.331 45.412 45.100 -0.032 0.000 0.784 57 G HN 0.098 nan 8.290 nan 0.000 0.541 58 V N 0.228 120.073 119.914 -0.115 0.000 2.323 58 V HA -0.019 4.101 4.120 -0.000 0.000 0.244 58 V C 2.372 178.345 176.094 -0.201 0.000 1.041 58 V CA 1.205 63.374 62.300 -0.218 0.000 1.025 58 V CB -0.614 30.977 31.823 -0.386 0.000 0.656 58 V HN 0.286 nan 8.190 nan 0.000 0.451 59 F N -0.176 119.766 119.950 -0.013 0.000 2.407 59 F HA 0.143 4.670 4.527 -0.000 0.000 0.299 59 F C 1.357 177.089 175.800 -0.113 0.000 1.097 59 F CA 0.448 58.418 58.000 -0.050 0.000 1.422 59 F CB -0.122 38.865 39.000 -0.022 0.000 1.067 59 F HN 0.042 nan 8.300 nan 0.000 0.539 60 R N 0.724 121.255 120.500 0.052 0.000 3.144 60 R HA -0.171 4.169 4.340 -0.000 0.000 0.255 60 R C -0.254 176.033 176.300 -0.021 0.000 0.949 60 R CA 0.845 56.925 56.100 -0.034 0.000 0.649 60 R CB -2.308 27.915 30.300 -0.129 0.000 1.229 60 R HN 0.294 nan 8.270 nan 0.000 0.440 61 T N -1.807 112.759 114.554 0.020 0.000 2.864 61 T HA 0.417 4.767 4.350 -0.000 0.000 0.299 61 T C 0.335 175.033 174.700 -0.003 0.000 1.166 61 T CA -0.590 61.510 62.100 0.001 0.000 1.007 61 T CB 1.612 70.479 68.868 -0.003 0.000 1.219 61 T HN 0.316 nan 8.240 nan 0.000 0.506 62 E N 1.094 121.283 120.200 -0.017 0.000 2.501 62 E HA 0.180 4.530 4.350 -0.000 0.000 0.200 62 E C -0.307 176.269 176.600 -0.041 0.000 1.016 62 E CA -0.359 56.026 56.400 -0.025 0.000 0.921 62 E CB 0.281 29.967 29.700 -0.024 0.000 1.034 62 E HN 0.383 nan 8.360 nan 0.000 0.468 63 N N 2.021 120.696 118.700 -0.041 0.000 2.440 63 N HA -0.045 4.695 4.740 -0.000 0.000 0.265 63 N C 0.866 176.315 175.510 -0.101 0.000 1.239 63 N CA 0.306 53.322 53.050 -0.057 0.000 0.909 63 N CB 0.817 39.274 38.487 -0.050 0.000 1.066 63 N HN 0.200 nan 8.380 nan 0.000 0.474 64 R N 2.536 122.920 120.500 -0.194 0.000 2.091 64 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 64 R C 0.012 176.042 176.300 -0.450 0.000 1.136 64 R CA 1.309 57.167 56.100 -0.402 0.000 0.959 64 R CB 0.054 29.975 30.300 -0.632 0.000 0.856 64 R HN 0.609 nan 8.270 nan 0.000 0.437 65 W N 1.631 122.902 121.300 -0.049 0.000 1.611 65 W HA 0.225 4.885 4.660 -0.000 0.000 0.395 65 W C -0.711 175.714 176.519 -0.156 0.000 0.698 65 W CA -0.745 56.547 57.345 -0.088 0.000 1.845 65 W CB 0.718 30.130 29.460 -0.081 0.000 1.818 65 W HN -0.122 nan 8.180 nan 0.000 0.270 66 T N 4.270 118.838 114.554 0.023 0.000 2.770 66 T HA 0.621 4.971 4.350 -0.000 0.000 0.283 66 T C 0.196 174.798 174.700 -0.164 0.000 0.988 66 T CA -0.586 61.471 62.100 -0.071 0.000 0.957 66 T CB 0.786 69.659 68.868 0.008 0.000 0.930 66 T HN 0.269 nan 8.240 nan 0.000 0.443 67 M N 1.851 121.236 119.600 -0.358 0.000 3.517 67 M HA 0.638 5.118 4.480 -0.000 0.000 0.293 67 M C -2.178 173.720 176.300 -0.670 0.000 1.404 67 M CA -1.180 53.619 55.300 -0.836 0.000 0.837 67 M CB 1.268 33.014 32.600 -1.423 0.000 1.756 67 M HN 0.282 nan 8.290 nan 0.000 0.474 68 L N 1.329 122.094 121.223 -0.765 0.000 2.342 68 L HA 0.804 5.144 4.340 -0.000 0.000 0.271 68 L C -0.893 175.941 176.870 -0.060 0.000 1.008 68 L CA -1.236 53.455 54.840 -0.247 0.000 0.818 68 L CB 1.990 44.050 42.059 0.002 0.000 1.296 68 L HN 0.427 nan 8.230 nan 0.000 0.427 69 V N 0.473 120.377 119.914 -0.015 0.000 2.398 69 V HA 0.185 4.305 4.120 -0.000 0.000 0.286 69 V C -0.631 175.521 176.094 0.098 0.000 1.026 69 V CA -0.610 61.713 62.300 0.039 0.000 0.868 69 V CB 1.551 33.394 31.823 0.034 0.000 0.982 69 V HN 0.621 nan 8.190 nan 0.000 0.443 70 D N 4.712 125.162 120.400 0.082 0.000 2.541 70 D HA 0.492 5.132 4.640 -0.000 0.000 0.231 70 D C 0.524 176.963 176.300 0.230 0.000 1.163 70 D CA 0.822 54.908 54.000 0.144 0.000 1.077 70 D CB 0.514 41.387 40.800 0.122 0.000 1.110 70 D HN 0.857 nan 8.370 nan 0.000 0.499 71 G N -0.393 108.527 108.800 0.200 0.000 2.506 71 G HA2 0.415 4.375 3.960 -0.000 0.000 0.292 71 G HA3 0.415 4.375 3.960 -0.000 0.000 0.292 71 G C -0.115 174.869 174.900 0.141 0.000 1.425 71 G CA -0.622 44.601 45.100 0.205 0.000 0.788 71 G HN 0.203 nan 8.290 nan 0.000 0.490 72 T N -1.547 113.079 114.554 0.120 0.000 2.667 72 T HA 0.330 4.680 4.350 -0.000 0.000 0.305 72 T C 1.825 176.571 174.700 0.077 0.000 1.022 72 T CA 0.996 63.150 62.100 0.089 0.000 0.995 72 T CB 0.612 69.529 68.868 0.082 0.000 1.026 72 T HN 0.700 nan 8.240 nan 0.000 0.527 73 S N 0.918 116.653 115.700 0.059 0.000 2.380 73 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 73 S C 2.066 176.685 174.600 0.032 0.000 1.043 73 S CA 1.819 60.041 58.200 0.038 0.000 1.038 73 S CB -0.605 62.605 63.200 0.016 0.000 0.872 73 S HN 0.873 nan 8.310 nan 0.000 0.456 74 R N 1.341 121.867 120.500 0.045 0.000 2.307 74 R HA 0.307 4.647 4.340 -0.000 0.000 0.199 74 R C 2.013 178.284 176.300 -0.049 0.000 1.000 74 R CA 0.815 56.929 56.100 0.023 0.000 1.023 74 R CB -0.322 30.017 30.300 0.066 0.000 0.908 74 R HN 0.334 nan 8.270 nan 0.000 0.473 75 A N 1.467 124.280 122.820 -0.011 0.000 1.929 75 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 75 A C 2.371 179.791 177.584 -0.274 0.000 1.176 75 A CA 1.284 53.278 52.037 -0.071 0.000 0.628 75 A CB -0.832 18.338 19.000 0.284 0.000 0.816 75 A HN 0.517 nan 8.150 nan 0.000 0.444 76 G N -0.039 108.702 108.800 -0.098 0.000 2.421 76 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.217 76 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.217 76 G C 1.472 176.288 174.900 -0.141 0.000 1.143 76 G CA 0.965 46.005 45.100 -0.100 0.000 0.784 76 G HN 0.477 nan 8.290 nan 0.000 0.541 77 I N 0.285 120.787 120.570 -0.113 0.000 2.179 77 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 77 I C 2.600 178.541 176.117 -0.293 0.000 1.088 77 I CA 1.409 62.633 61.300 -0.128 0.000 1.357 77 I CB -0.209 37.780 38.000 -0.017 0.000 1.051 77 I HN 0.226 nan 8.210 nan 0.000 0.409 78 E N 1.170 121.152 120.200 -0.363 0.000 2.072 78 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 78 E C 2.320 178.607 176.600 -0.522 0.000 0.985 78 E CA 1.095 57.225 56.400 -0.451 0.000 0.801 78 E CB -0.016 29.361 29.700 -0.539 0.000 0.750 78 E HN 0.455 nan 8.360 nan 0.000 0.452 79 A N 1.127 123.539 122.820 -0.680 0.000 1.892 79 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 79 A C 2.141 179.592 177.584 -0.221 0.000 1.188 79 A CA 1.670 53.488 52.037 -0.365 0.000 0.631 79 A CB -0.752 18.133 19.000 -0.191 0.000 0.822 79 A HN 0.329 nan 8.150 nan 0.000 0.447 80 I N -0.365 120.051 120.570 -0.256 0.000 2.252 80 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 80 I C 2.355 178.314 176.117 -0.265 0.000 1.102 80 I CA 1.029 62.178 61.300 -0.253 0.000 1.385 80 I CB -0.248 37.566 38.000 -0.311 0.000 1.064 80 I HN 0.307 nan 8.210 nan 0.000 0.414 81 L N -0.203 120.835 121.223 -0.308 0.000 2.072 81 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 81 L C 2.560 179.351 176.870 -0.130 0.000 1.079 81 L CA 0.943 55.640 54.840 -0.238 0.000 0.752 81 L CB -0.722 41.190 42.059 -0.245 0.000 0.906 81 L HN 0.114 nan 8.230 nan 0.000 0.436 82 V N -1.060 118.788 119.914 -0.110 0.000 2.626 82 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 82 V C 2.404 178.489 176.094 -0.014 0.000 1.067 82 V CA 1.697 63.985 62.300 -0.020 0.000 1.081 82 V CB -0.433 31.413 31.823 0.039 0.000 0.686 82 V HN 0.342 nan 8.190 nan 0.000 0.468 83 S N 0.050 115.715 115.700 -0.059 0.000 2.470 83 S HA 0.186 4.656 4.470 -0.000 0.000 0.225 83 S C 1.939 176.501 174.600 -0.064 0.000 1.006 83 S CA 0.951 59.112 58.200 -0.066 0.000 0.934 83 S CB 0.079 63.223 63.200 -0.093 0.000 0.778 83 S HN 0.653 nan 8.310 nan 0.000 0.517 84 A N 0.370 123.148 122.820 -0.070 0.000 2.197 84 A HA 0.457 4.777 4.320 -0.000 0.000 0.210 84 A C 0.595 178.162 177.584 -0.028 0.000 1.180 84 A CA -0.021 51.983 52.037 -0.055 0.000 0.846 84 A CB 0.148 19.102 19.000 -0.076 0.000 0.884 84 A HN 0.395 nan 8.150 nan 0.000 0.487 85 I N 1.592 122.150 120.570 -0.020 0.000 2.354 85 I HA 0.333 4.503 4.170 -0.000 0.000 0.286 85 I C -0.432 175.712 176.117 0.044 0.000 1.007 85 I CA -0.699 60.605 61.300 0.005 0.000 1.167 85 I CB 1.372 39.368 38.000 -0.007 0.000 1.320 85 I HN 0.089 nan 8.210 nan 0.000 0.458 86 R N 6.690 127.221 120.500 0.051 0.000 2.531 86 R HA 0.370 4.710 4.340 -0.000 0.000 0.273 86 R C -2.479 173.863 176.300 0.071 0.000 1.070 86 R CA -1.497 54.657 56.100 0.090 0.000 1.112 86 R CB -0.133 30.210 30.300 0.072 0.000 1.049 86 R HN 0.240 nan 8.270 nan 0.000 0.508 87 P HA 0.041 nan 4.420 nan 0.000 0.264 87 P C 0.448 177.759 177.300 0.018 0.000 1.193 87 P CA 1.013 64.121 63.100 0.013 0.000 0.763 87 P CB 0.722 32.399 31.700 -0.038 0.000 0.810 88 G N 2.233 111.040 108.800 0.011 0.000 2.254 88 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.225 88 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.225 88 G C -0.045 174.872 174.900 0.029 0.000 1.003 88 G CA -0.400 44.711 45.100 0.018 0.000 0.622 88 G HN 0.491 nan 8.290 nan 0.000 0.507 89 D N 1.721 122.139 120.400 0.030 0.000 2.472 89 D HA 0.360 5.000 4.640 -0.000 0.000 0.237 89 D C 0.739 177.066 176.300 0.046 0.000 1.141 89 D CA 0.538 54.558 54.000 0.032 0.000 0.875 89 D CB 0.644 41.460 40.800 0.027 0.000 1.192 89 D HN 0.375 nan 8.370 nan 0.000 0.450 90 K N 0.761 121.189 120.400 0.048 0.000 2.205 90 K HA 0.460 4.780 4.320 -0.000 0.000 0.279 90 K C -0.660 175.974 176.600 0.058 0.000 1.027 90 K CA -0.615 55.718 56.287 0.077 0.000 0.932 90 K CB 1.556 34.067 32.500 0.019 0.000 1.032 90 K HN 0.098 nan 8.250 nan 0.000 0.466 91 V N 4.174 124.149 119.914 0.102 0.000 2.709 91 V HA 0.326 4.446 4.120 -0.000 0.000 0.308 91 V C -1.266 174.881 176.094 0.087 0.000 1.062 91 V CA -0.998 61.343 62.300 0.069 0.000 0.901 91 V CB 1.976 33.829 31.823 0.051 0.000 1.003 91 V HN 0.520 nan 8.190 nan 0.000 0.425 92 L N 6.297 127.548 121.223 0.048 0.000 2.313 92 L HA 0.765 5.105 4.340 -0.000 0.000 0.283 92 L C -0.789 176.095 176.870 0.024 0.000 1.013 92 L CA -0.032 54.828 54.840 0.032 0.000 0.816 92 L CB 1.833 43.878 42.059 -0.023 0.000 1.236 92 L HN 0.423 nan 8.230 nan 0.000 0.419 93 V N 6.393 126.312 119.914 0.010 0.000 2.380 93 V HA 0.431 4.551 4.120 -0.000 0.000 0.286 93 V C -2.348 173.699 176.094 -0.078 0.000 1.015 93 V CA -1.377 60.918 62.300 -0.008 0.000 0.834 93 V CB 1.520 33.350 31.823 0.012 0.000 1.009 93 V HN 0.684 nan 8.190 nan 0.000 0.428 94 P HA 0.228 nan 4.420 nan 0.000 0.280 94 P C -0.470 176.798 177.300 -0.053 0.000 1.300 94 P CA -0.013 62.779 63.100 -0.515 0.000 0.785 94 P CB 0.824 31.879 31.700 -1.075 0.000 0.874 95 V N 5.700 125.736 119.914 0.203 0.000 2.383 95 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 95 V C 0.679 177.098 176.094 0.542 0.000 1.036 95 V CA -0.029 62.400 62.300 0.216 0.000 0.889 95 V CB 0.086 31.884 31.823 -0.042 0.000 0.985 95 V HN 0.532 nan 8.190 nan 0.000 0.459 96 F N 1.957 122.078 119.950 0.285 0.000 2.838 96 F HA 0.850 5.377 4.527 -0.000 0.000 0.329 96 F C 0.521 176.253 175.800 -0.113 0.000 1.116 96 F CA -0.032 58.076 58.000 0.180 0.000 1.155 96 F CB 0.422 39.530 39.000 0.180 0.000 1.106 96 F HN 0.582 nan 8.300 nan 0.000 0.538 97 G N 0.508 109.044 108.800 -0.441 0.000 2.428 97 G HA2 0.156 4.116 3.960 -0.000 0.000 0.304 97 G HA3 0.156 4.116 3.960 -0.000 0.000 0.304 97 G C -0.255 174.531 174.900 -0.190 0.000 1.303 97 G CA -0.526 44.089 45.100 -0.808 0.000 0.825 97 G HN 0.015 nan 8.290 nan 0.000 0.484 98 R N -0.729 119.615 120.500 -0.261 0.000 2.117 98 R HA -0.042 4.298 4.340 -0.000 0.000 0.243 98 R C 1.849 178.044 176.300 -0.176 0.000 1.143 98 R CA 1.862 57.941 56.100 -0.035 0.000 0.968 98 R CB -0.532 29.618 30.300 -0.249 0.000 0.863 98 R HN 0.437 nan 8.270 nan 0.000 0.444 99 F N -0.281 119.624 119.950 -0.074 0.000 2.661 99 F HA 0.154 4.681 4.527 -0.000 0.000 0.298 99 F C 2.379 178.125 175.800 -0.089 0.000 1.137 99 F CA 0.820 58.779 58.000 -0.069 0.000 1.454 99 F CB -0.491 38.450 39.000 -0.099 0.000 1.103 99 F HN 0.160 nan 8.300 nan 0.000 0.577 100 G N -0.493 108.276 108.800 -0.051 0.000 2.418 100 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 100 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 100 G C 1.549 176.394 174.900 -0.092 0.000 1.158 100 G CA 0.707 45.740 45.100 -0.110 0.000 0.771 100 G HN 0.369 nan 8.290 nan 0.000 0.545 101 H N -0.460 118.632 119.070 0.036 0.000 2.423 101 H HA 0.009 4.565 4.556 -0.000 0.000 0.297 101 H C 2.496 177.835 175.328 0.018 0.000 1.075 101 H CA 1.097 57.165 56.048 0.034 0.000 1.342 101 H CB -0.077 29.704 29.762 0.033 0.000 1.395 101 H HN 0.302 nan 8.280 nan 0.000 0.530 102 L N 1.209 122.508 121.223 0.127 0.000 2.046 102 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 102 L C 2.244 179.165 176.870 0.086 0.000 1.077 102 L CA 1.214 56.112 54.840 0.098 0.000 0.747 102 L CB -0.755 41.391 42.059 0.144 0.000 0.896 102 L HN 0.115 nan 8.230 nan 0.000 0.432 103 L N -1.601 119.677 121.223 0.092 0.000 2.083 103 L HA -0.276 4.064 4.340 -0.000 0.000 0.209 103 L C 2.615 179.507 176.870 0.037 0.000 1.083 103 L CA 1.353 56.233 54.840 0.067 0.000 0.752 103 L CB -0.975 41.139 42.059 0.092 0.000 0.899 103 L HN 0.380 nan 8.230 nan 0.000 0.433 104 C N -0.375 118.949 119.300 0.040 0.000 2.429 104 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 104 C C 2.779 177.787 174.990 0.030 0.000 1.262 104 C CA 0.494 59.532 59.018 0.033 0.000 1.733 104 C CB -0.654 27.113 27.740 0.044 0.000 2.010 104 C HN 0.489 nan 8.230 nan 0.000 0.483 105 E N 0.627 120.851 120.200 0.039 0.000 2.072 105 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 105 E C 2.036 178.640 176.600 0.007 0.000 0.982 105 E CA 0.995 57.409 56.400 0.024 0.000 0.803 105 E CB -0.330 29.386 29.700 0.026 0.000 0.755 105 E HN 0.647 nan 8.360 nan 0.000 0.453 106 I N 1.169 121.740 120.570 0.003 0.000 2.163 106 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 106 I C 2.504 178.603 176.117 -0.029 0.000 1.085 106 I CA 1.252 62.539 61.300 -0.022 0.000 1.347 106 I CB -0.333 37.641 38.000 -0.044 0.000 1.044 106 I HN 0.004 nan 8.210 nan 0.000 0.408 107 A N 0.501 123.307 122.820 -0.023 0.000 1.933 107 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 107 A C 2.438 180.015 177.584 -0.012 0.000 1.175 107 A CA 1.683 53.707 52.037 -0.021 0.000 0.628 107 A CB -0.642 18.352 19.000 -0.010 0.000 0.814 107 A HN 0.365 nan 8.150 nan 0.000 0.444 108 R N -0.534 119.962 120.500 -0.008 0.000 2.081 108 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 108 R C 2.147 178.438 176.300 -0.016 0.000 1.131 108 R CA 1.248 57.341 56.100 -0.011 0.000 0.960 108 R CB -0.167 30.128 30.300 -0.007 0.000 0.856 108 R HN 0.401 nan 8.270 nan 0.000 0.436 109 R N -0.257 120.236 120.500 -0.012 0.000 2.148 109 R HA -0.058 4.282 4.340 -0.000 0.000 0.227 109 R C 2.065 178.358 176.300 -0.011 0.000 1.103 109 R CA 0.992 57.086 56.100 -0.011 0.000 0.983 109 R CB -0.578 29.722 30.300 0.000 0.000 0.874 109 R HN 0.328 nan 8.270 nan 0.000 0.451 110 C N 0.341 119.635 119.300 -0.010 0.000 2.539 110 C HA 0.173 4.633 4.460 -0.000 0.000 0.271 110 C C 0.874 175.856 174.990 -0.013 0.000 1.412 110 C CA -0.279 58.739 59.018 -0.000 0.000 1.729 110 C CB -1.097 26.639 27.740 -0.007 0.000 1.739 110 C HN 0.547 nan 8.230 nan 0.000 0.570 111 R N -0.983 119.500 120.500 -0.028 0.000 3.656 111 R HA -0.177 4.163 4.340 -0.000 0.000 0.297 111 R C 0.201 176.490 176.300 -0.018 0.000 1.166 111 R CA 0.381 56.458 56.100 -0.038 0.000 0.799 111 R CB -2.003 28.251 30.300 -0.078 0.000 1.285 111 R HN 0.595 nan 8.270 nan 0.000 0.477 112 A N 1.266 124.083 122.820 -0.006 0.000 2.304 112 A HA 0.306 4.626 4.320 -0.000 0.000 0.271 112 A C 0.344 177.934 177.584 0.011 0.000 1.091 112 A CA -0.354 51.688 52.037 0.009 0.000 0.812 112 A CB 0.541 19.549 19.000 0.013 0.000 1.056 112 A HN 0.320 nan 8.150 nan 0.000 0.489 113 E N 1.366 121.585 120.200 0.032 0.000 2.180 113 E HA 0.391 4.741 4.350 -0.000 0.000 0.283 113 E C -1.198 175.434 176.600 0.053 0.000 1.061 113 E CA -0.360 56.057 56.400 0.029 0.000 0.861 113 E CB 0.501 30.243 29.700 0.069 0.000 1.056 113 E HN 0.342 nan 8.360 nan 0.000 0.407 114 V N 6.617 126.516 119.914 -0.025 0.000 2.348 114 V HA 0.160 4.280 4.120 -0.000 0.000 0.270 114 V C 0.004 176.043 176.094 -0.092 0.000 1.037 114 V CA -0.496 61.800 62.300 -0.007 0.000 0.872 114 V CB 0.632 32.450 31.823 -0.009 0.000 1.002 114 V HN 0.679 nan 8.190 nan 0.000 0.464 115 H N 3.195 122.264 119.070 -0.002 0.000 2.458 115 H HA 0.614 5.170 4.556 -0.000 0.000 0.330 115 H C 0.116 175.441 175.328 -0.004 0.000 1.111 115 H CA -0.242 55.805 56.048 -0.002 0.000 1.245 115 H CB 2.304 32.060 29.762 -0.010 0.000 1.456 115 H HN 0.716 nan 8.280 nan 0.000 0.488 116 T N 0.861 115.474 114.554 0.099 0.000 2.912 116 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 116 T C -0.134 174.616 174.700 0.084 0.000 1.052 116 T CA -0.961 61.178 62.100 0.065 0.000 0.996 116 T CB 1.223 70.117 68.868 0.044 0.000 1.070 116 T HN 0.547 nan 8.240 nan 0.000 0.465 117 I N -0.716 119.905 120.570 0.085 0.000 2.603 117 I HA 0.829 4.999 4.170 -0.000 0.000 0.300 117 I C -0.720 175.612 176.117 0.358 0.000 1.017 117 I CA -1.081 60.327 61.300 0.180 0.000 1.098 117 I CB 2.225 40.332 38.000 0.179 0.000 1.279 117 I HN 0.656 nan 8.210 nan 0.000 0.437 118 E N 4.156 124.583 120.200 0.379 0.000 2.293 118 E HA 0.617 4.967 4.350 -0.000 0.000 0.270 118 E C -1.206 175.490 176.600 0.159 0.000 0.879 118 E CA -1.006 55.620 56.400 0.377 0.000 0.756 118 E CB 3.285 33.123 29.700 0.230 0.000 1.208 118 E HN 0.638 nan 8.360 nan 0.000 0.428 119 V N -0.980 118.927 119.914 -0.013 0.000 2.960 119 V HA 0.683 4.803 4.120 -0.000 0.000 0.315 119 V C -2.621 173.525 176.094 0.087 0.000 1.087 119 V CA -2.526 59.675 62.300 -0.166 0.000 0.982 119 V CB 1.523 32.997 31.823 -0.582 0.000 1.039 119 V HN 0.517 nan 8.190 nan 0.000 0.437 120 P HA 0.240 nan 4.420 nan 0.000 0.280 120 P C -1.050 176.466 177.300 0.359 0.000 1.244 120 P CA -0.145 63.087 63.100 0.219 0.000 0.784 120 P CB 0.388 32.157 31.700 0.114 0.000 0.913 121 W N 2.043 123.449 121.300 0.177 0.000 2.443 121 W HA 0.314 4.974 4.660 -0.000 0.000 0.335 121 W C 1.190 177.869 176.519 0.266 0.000 1.382 121 W CA 0.441 57.970 57.345 0.308 0.000 1.305 121 W CB -0.554 29.131 29.460 0.374 0.000 1.283 121 W HN 0.438 nan 8.180 nan 0.000 0.567 122 G N 3.446 112.350 108.800 0.173 0.000 3.302 122 G HA2 0.465 4.425 3.960 -0.000 0.000 0.338 122 G HA3 0.465 4.425 3.960 -0.000 0.000 0.338 122 G C -0.423 174.493 174.900 0.028 0.000 1.405 122 G CA -0.559 44.661 45.100 0.200 0.000 1.090 122 G HN 0.425 nan 8.290 nan 0.000 0.482 123 E N 0.254 120.482 120.200 0.048 0.000 2.303 123 E HA 0.682 5.032 4.350 -0.000 0.000 0.254 123 E C -0.918 175.575 176.600 -0.178 0.000 0.979 123 E CA -0.898 55.457 56.400 -0.075 0.000 0.843 123 E CB 2.902 32.535 29.700 -0.111 0.000 1.245 123 E HN 0.191 nan 8.360 nan 0.000 0.413 124 V N 1.000 120.720 119.914 -0.324 0.000 3.040 124 V HA 0.379 4.499 4.120 -0.000 0.000 0.312 124 V C -1.353 174.460 176.094 -0.469 0.000 1.115 124 V CA -0.653 61.352 62.300 -0.492 0.000 0.998 124 V CB 1.526 32.991 31.823 -0.598 0.000 1.042 124 V HN 0.463 nan 8.190 nan 0.000 0.433 125 F N 1.804 121.540 119.950 -0.357 0.000 2.399 125 F HA 0.413 4.940 4.527 -0.000 0.000 0.342 125 F C 1.006 176.678 175.800 -0.213 0.000 1.106 125 F CA 0.184 58.056 58.000 -0.214 0.000 1.196 125 F CB 1.306 40.215 39.000 -0.152 0.000 1.163 125 F HN 0.365 nan 8.300 nan 0.000 0.547 126 T N 4.821 119.398 114.554 0.038 0.000 2.889 126 T HA 0.147 4.497 4.350 -0.000 0.000 0.291 126 T C -1.675 173.030 174.700 0.009 0.000 0.995 126 T CA -1.099 60.993 62.100 -0.012 0.000 1.092 126 T CB 1.469 70.325 68.868 -0.019 0.000 0.954 126 T HN 0.326 nan 8.240 nan 0.000 0.506 127 P HA -0.084 nan 4.420 nan 0.000 0.218 127 P C 0.913 178.192 177.300 -0.036 0.000 1.148 127 P CA 0.922 63.990 63.100 -0.054 0.000 0.822 127 P CB 0.198 31.858 31.700 -0.067 0.000 0.784 128 D N -1.032 119.357 120.400 -0.019 0.000 2.178 128 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 128 D C 2.054 178.352 176.300 -0.002 0.000 0.974 128 D CA 0.972 54.965 54.000 -0.012 0.000 0.841 128 D CB -0.470 40.325 40.800 -0.008 0.000 0.953 128 D HN 0.285 nan 8.370 nan 0.000 0.478 129 Q N 0.055 119.873 119.800 0.029 0.000 2.124 129 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 129 Q C 2.347 178.375 176.000 0.047 0.000 0.977 129 Q CA 1.286 57.134 55.803 0.076 0.000 0.850 129 Q CB 0.150 28.999 28.738 0.185 0.000 0.901 129 Q HN 0.350 nan 8.270 nan 0.000 0.429 130 V N -2.356 117.556 119.914 -0.004 0.000 2.725 130 V HA -0.075 4.045 4.120 -0.000 0.000 0.247 130 V C 1.850 177.871 176.094 -0.122 0.000 1.058 130 V CA 1.552 63.797 62.300 -0.091 0.000 1.080 130 V CB -0.243 31.488 31.823 -0.155 0.000 0.713 130 V HN 0.233 nan 8.190 nan 0.000 0.465 131 E N 0.627 120.764 120.200 -0.106 0.000 2.072 131 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 131 E C 1.830 178.315 176.600 -0.192 0.000 0.985 131 E CA 1.682 57.994 56.400 -0.147 0.000 0.801 131 E CB -0.111 29.555 29.700 -0.057 0.000 0.750 131 E HN 0.668 nan 8.360 nan 0.000 0.452 132 D N 0.268 120.602 120.400 -0.110 0.000 2.123 132 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 132 D C 1.724 177.954 176.300 -0.117 0.000 0.992 132 D CA 1.466 55.409 54.000 -0.095 0.000 0.833 132 D CB -0.272 40.503 40.800 -0.041 0.000 0.954 132 D HN 0.310 nan 8.370 nan 0.000 0.455 133 A N 0.246 123.002 122.820 -0.107 0.000 1.855 133 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 133 A C 2.504 179.986 177.584 -0.170 0.000 1.191 133 A CA 1.288 53.261 52.037 -0.105 0.000 0.613 133 A CB -0.899 18.055 19.000 -0.077 0.000 0.829 133 A HN 0.121 nan 8.150 nan 0.000 0.442 134 V N 0.336 120.118 119.914 -0.221 0.000 2.278 134 V HA -0.361 3.759 4.120 -0.000 0.000 0.251 134 V C 2.516 178.385 176.094 -0.375 0.000 1.062 134 V CA 2.610 64.737 62.300 -0.288 0.000 1.038 134 V CB -0.789 30.834 31.823 -0.333 0.000 0.646 134 V HN 0.568 nan 8.190 nan 0.000 0.447 135 K N -0.612 119.500 120.400 -0.480 0.000 2.044 135 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 135 K C 2.426 178.902 176.600 -0.208 0.000 1.049 135 K CA 1.770 57.810 56.287 -0.411 0.000 0.927 135 K CB -0.254 32.053 32.500 -0.322 0.000 0.713 135 K HN 0.373 nan 8.250 nan 0.000 0.443 136 R N 0.345 120.745 120.500 -0.166 0.000 2.066 136 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 136 R C 2.284 178.511 176.300 -0.122 0.000 1.131 136 R CA 1.472 57.506 56.100 -0.109 0.000 0.955 136 R CB -0.092 30.162 30.300 -0.077 0.000 0.851 136 R HN 0.337 nan 8.270 nan 0.000 0.432 137 I N -2.354 118.109 120.570 -0.179 0.000 4.035 137 I HA 0.207 4.377 4.170 -0.000 0.000 0.321 137 I C -0.402 175.584 176.117 -0.219 0.000 1.289 137 I CA 0.091 61.237 61.300 -0.256 0.000 1.236 137 I CB 0.151 37.829 38.000 -0.537 0.000 1.076 137 I HN -0.041 nan 8.210 nan 0.000 0.418 138 R N 2.028 122.423 120.500 -0.175 0.000 2.992 138 R HA -0.084 4.256 4.340 -0.000 0.000 0.263 138 R C -2.519 173.721 176.300 -0.101 0.000 0.902 138 R CA 0.518 56.549 56.100 -0.116 0.000 0.667 138 R CB -1.659 28.604 30.300 -0.062 0.000 1.504 138 R HN 0.444 nan 8.270 nan 0.000 0.489 139 P HA 0.151 nan 4.420 nan 0.000 0.279 139 P C -0.089 177.202 177.300 -0.015 0.000 1.252 139 P CA -0.565 62.495 63.100 -0.066 0.000 0.811 139 P CB 1.059 32.720 31.700 -0.064 0.000 1.035 140 R N 0.527 121.029 120.500 0.004 0.000 2.093 140 R HA 0.090 4.430 4.340 -0.000 0.000 0.224 140 R C 0.119 176.441 176.300 0.038 0.000 1.101 140 R CA 0.927 57.040 56.100 0.021 0.000 0.979 140 R CB 0.060 30.372 30.300 0.021 0.000 0.877 140 R HN 0.386 nan 8.270 nan 0.000 0.441 141 L N 1.500 122.747 121.223 0.041 0.000 2.381 141 L HA 0.387 4.727 4.340 -0.000 0.000 0.268 141 L C -1.038 175.882 176.870 0.083 0.000 0.997 141 L CA -0.978 53.905 54.840 0.072 0.000 0.818 141 L CB 1.734 43.826 42.059 0.055 0.000 1.310 141 L HN 0.042 nan 8.230 nan 0.000 0.416 142 L N 4.441 125.750 121.223 0.144 0.000 2.265 142 L HA 0.490 4.830 4.340 -0.000 0.000 0.289 142 L C -0.882 176.145 176.870 0.263 0.000 1.033 142 L CA 0.004 54.940 54.840 0.160 0.000 0.814 142 L CB 0.820 42.956 42.059 0.130 0.000 1.203 142 L HN 0.415 nan 8.230 nan 0.000 0.423 143 L N 5.539 126.880 121.223 0.197 0.000 2.276 143 L HA 0.578 4.918 4.340 -0.000 0.000 0.286 143 L C 0.011 177.007 176.870 0.210 0.000 1.024 143 L CA -0.473 54.528 54.840 0.269 0.000 0.826 143 L CB 1.260 43.432 42.059 0.188 0.000 1.211 143 L HN 0.679 nan 8.230 nan 0.000 0.422 144 T N -0.218 114.460 114.554 0.205 0.000 2.908 144 T HA 0.691 5.041 4.350 -0.000 0.000 0.290 144 T C -0.378 174.376 174.700 0.090 0.000 1.034 144 T CA -0.786 61.409 62.100 0.158 0.000 1.010 144 T CB 2.377 71.382 68.868 0.229 0.000 1.068 144 T HN 0.100 nan 8.240 nan 0.000 0.481 145 V N 2.829 122.848 119.914 0.174 0.000 2.398 145 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 145 V C 1.444 177.709 176.094 0.285 0.000 1.026 145 V CA -0.513 61.867 62.300 0.133 0.000 0.868 145 V CB 1.256 33.092 31.823 0.022 0.000 0.982 145 V HN 1.104 nan 8.190 nan 0.000 0.443 146 Q N 4.137 124.027 119.800 0.150 0.000 1.969 146 Q HA 0.084 4.424 4.340 -0.000 0.000 0.198 146 Q C 0.976 177.124 176.000 0.246 0.000 0.978 146 Q CA 1.374 57.281 55.803 0.174 0.000 0.830 146 Q CB 0.053 28.853 28.738 0.102 0.000 0.896 146 Q HN 0.858 nan 8.270 nan 0.000 0.431 147 G N 1.030 109.932 108.800 0.169 0.000 2.502 147 G HA2 0.242 4.202 3.960 -0.000 0.000 0.311 147 G HA3 0.242 4.202 3.960 -0.000 0.000 0.311 147 G C -1.788 173.178 174.900 0.111 0.000 1.270 147 G CA -0.482 44.723 45.100 0.174 0.000 0.948 147 G HN 0.195 nan 8.290 nan 0.000 0.487 148 D N 2.439 122.951 120.400 0.187 0.000 2.373 148 D HA 0.197 4.837 4.640 -0.000 0.000 0.227 148 D C 1.833 178.202 176.300 0.115 0.000 1.091 148 D CA -0.327 53.712 54.000 0.065 0.000 0.840 148 D CB 1.484 42.151 40.800 -0.222 0.000 1.060 148 D HN 0.346 nan 8.370 nan 0.000 0.502 149 T N 0.043 114.685 114.554 0.146 0.000 2.833 149 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 149 T C 1.863 176.645 174.700 0.137 0.000 1.054 149 T CA 1.438 63.631 62.100 0.156 0.000 1.135 149 T CB -0.226 68.748 68.868 0.176 0.000 0.869 149 T HN 0.322 nan 8.240 nan 0.000 0.466 150 S N 1.906 117.675 115.700 0.115 0.000 2.442 150 S HA -0.098 4.372 4.470 -0.000 0.000 0.236 150 S C 2.008 176.508 174.600 -0.167 0.000 1.007 150 S CA 1.274 59.447 58.200 -0.045 0.000 0.965 150 S CB -0.974 62.112 63.200 -0.189 0.000 0.773 150 S HN 0.825 nan 8.310 nan 0.000 0.504 151 T N -2.742 111.734 114.554 -0.129 0.000 3.043 151 T HA 0.229 4.579 4.350 -0.000 0.000 0.272 151 T C 1.017 175.860 174.700 0.238 0.000 0.990 151 T CA 0.911 63.052 62.100 0.067 0.000 0.897 151 T CB -0.330 68.539 68.868 0.001 0.000 1.111 151 T HN 1.011 nan 8.240 nan 0.000 0.529 152 T N 0.395 115.049 114.554 0.166 0.000 6.387 152 T HA -0.204 4.146 4.350 -0.000 0.000 0.290 152 T C 0.180 174.992 174.700 0.187 0.000 1.901 152 T CA 0.962 63.168 62.100 0.176 0.000 3.035 152 T CB -2.420 66.558 68.868 0.184 0.000 1.917 152 T HN 0.447 nan 8.240 nan 0.000 1.121 153 M N 0.966 120.705 119.600 0.231 0.000 2.277 153 M HA 0.572 5.052 4.480 -0.000 0.000 0.350 153 M C 0.273 176.713 176.300 0.232 0.000 1.180 153 M CA -1.310 54.122 55.300 0.219 0.000 1.103 153 M CB 1.390 34.123 32.600 0.221 0.000 1.577 153 M HN 0.331 nan 8.290 nan 0.000 0.459 154 L N 3.615 124.912 121.223 0.123 0.000 2.316 154 L HA 0.339 4.679 4.340 -0.000 0.000 0.280 154 L C -0.587 176.263 176.870 -0.033 0.000 1.006 154 L CA -0.485 54.414 54.840 0.097 0.000 0.836 154 L CB 1.429 43.556 42.059 0.114 0.000 1.221 154 L HN 0.751 nan 8.230 nan 0.000 0.418 155 Q N 7.206 126.939 119.800 -0.112 0.000 2.296 155 Q HA 0.328 4.668 4.340 -0.000 0.000 0.262 155 Q C -2.328 173.612 176.000 -0.100 0.000 0.981 155 Q CA -1.106 54.553 55.803 -0.240 0.000 0.905 155 Q CB 1.025 29.607 28.738 -0.261 0.000 1.186 155 Q HN 0.350 nan 8.270 nan 0.000 0.399 156 P HA 0.003 nan 4.420 nan 0.000 0.271 156 P C -0.621 176.563 177.300 -0.194 0.000 1.233 156 P CA 0.041 63.047 63.100 -0.157 0.000 0.764 156 P CB 0.715 32.327 31.700 -0.146 0.000 0.825 157 L N 3.144 124.174 121.223 -0.322 0.000 2.638 157 L HA 0.227 4.567 4.340 -0.000 0.000 0.232 157 L C 2.111 178.683 176.870 -0.496 0.000 1.099 157 L CA 0.755 55.471 54.840 -0.206 0.000 0.883 157 L CB -0.931 41.194 42.059 0.110 0.000 1.136 157 L HN 0.316 nan 8.230 nan 0.000 0.492 158 A N -0.531 121.684 122.820 -1.008 0.000 2.019 158 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 158 A C 2.116 179.433 177.584 -0.444 0.000 1.164 158 A CA 1.797 53.158 52.037 -1.126 0.000 0.644 158 A CB -0.196 18.233 19.000 -0.952 0.000 0.805 158 A HN 0.475 nan 8.150 nan 0.000 0.449 159 E N -1.331 118.684 120.200 -0.308 0.000 2.431 159 E HA 0.122 4.472 4.350 -0.000 0.000 0.200 159 E C 1.296 177.781 176.600 -0.191 0.000 0.995 159 E CA -0.178 56.109 56.400 -0.189 0.000 0.915 159 E CB 0.114 29.725 29.700 -0.149 0.000 0.930 159 E HN 0.394 nan 8.360 nan 0.000 0.496 160 L N 0.215 121.278 121.223 -0.266 0.000 2.217 160 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 160 L C 2.227 178.756 176.870 -0.567 0.000 1.107 160 L CA 1.516 56.093 54.840 -0.438 0.000 0.783 160 L CB -0.730 40.971 42.059 -0.596 0.000 0.919 160 L HN 0.162 nan 8.230 nan 0.000 0.442 161 G N -1.469 107.122 108.800 -0.349 0.000 2.402 161 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 161 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 161 G C 1.585 176.452 174.900 -0.056 0.000 1.162 161 G CA 0.229 45.263 45.100 -0.109 0.000 0.777 161 G HN 0.275 nan 8.290 nan 0.000 0.539 162 E N 0.405 120.574 120.200 -0.052 0.000 2.077 162 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 162 E C 2.641 179.216 176.600 -0.042 0.000 0.989 162 E CA 0.507 56.887 56.400 -0.034 0.000 0.800 162 E CB -0.182 29.500 29.700 -0.031 0.000 0.746 162 E HN 0.508 nan 8.360 nan 0.000 0.452 163 I N 0.206 120.740 120.570 -0.060 0.000 2.264 163 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 163 I C 2.565 178.723 176.117 0.069 0.000 1.111 163 I CA 0.785 62.093 61.300 0.012 0.000 1.382 163 I CB -0.229 37.741 38.000 -0.050 0.000 1.060 163 I HN 0.149 nan 8.210 nan 0.000 0.418 164 C N -0.009 119.259 119.300 -0.054 0.000 2.457 164 C HA -0.079 4.381 4.460 -0.000 0.000 0.278 164 C C 2.933 177.946 174.990 0.038 0.000 1.309 164 C CA 0.459 59.468 59.018 -0.014 0.000 1.735 164 C CB -1.020 26.663 27.740 -0.095 0.000 1.992 164 C HN 0.436 nan 8.230 nan 0.000 0.493 165 R N 0.897 121.404 120.500 0.011 0.000 2.090 165 R HA -0.036 4.304 4.340 -0.000 0.000 0.228 165 R C 2.344 178.615 176.300 -0.049 0.000 1.110 165 R CA 1.044 57.145 56.100 0.002 0.000 0.973 165 R CB -0.269 30.034 30.300 0.004 0.000 0.869 165 R HN 0.525 nan 8.270 nan 0.000 0.440 166 R N -0.798 119.637 120.500 -0.109 0.000 2.120 166 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 166 R C 0.873 176.888 176.300 -0.475 0.000 1.123 166 R CA 1.417 57.327 56.100 -0.317 0.000 0.975 166 R CB -0.033 29.997 30.300 -0.449 0.000 0.866 166 R HN 0.335 nan 8.270 nan 0.000 0.446 167 Y N -0.586 119.696 120.300 -0.031 0.000 2.584 167 Y HA 0.138 4.688 4.550 -0.000 0.000 0.254 167 Y C -0.276 175.612 175.900 -0.020 0.000 1.177 167 Y CA -0.782 57.300 58.100 -0.029 0.000 1.216 167 Y CB 0.315 38.751 38.460 -0.040 0.000 1.172 167 Y HN 0.013 nan 8.280 nan 0.000 0.529 168 D N 1.044 121.488 120.400 0.074 0.000 2.737 168 D HA -0.150 4.490 4.640 -0.000 0.000 0.238 168 D C -0.363 175.978 176.300 0.068 0.000 1.157 168 D CA 0.805 54.838 54.000 0.055 0.000 0.694 168 D CB -0.663 40.159 40.800 0.035 0.000 1.021 168 D HN 0.382 nan 8.370 nan 0.000 0.420 169 A N 1.126 123.992 122.820 0.077 0.000 2.365 169 A HA 0.729 5.049 4.320 -0.000 0.000 0.318 169 A C -0.062 177.581 177.584 0.097 0.000 1.091 169 A CA -0.747 51.333 52.037 0.072 0.000 0.763 169 A CB 1.138 20.172 19.000 0.055 0.000 1.248 169 A HN 0.272 nan 8.150 nan 0.000 0.442 170 L N 1.868 123.154 121.223 0.105 0.000 2.410 170 L HA 0.255 4.595 4.340 -0.000 0.000 0.273 170 L C -0.556 176.462 176.870 0.246 0.000 1.152 170 L CA -0.039 54.889 54.840 0.145 0.000 0.855 170 L CB 0.375 42.495 42.059 0.101 0.000 1.129 170 L HN 0.681 nan 8.230 nan 0.000 0.463 171 F N 4.869 124.862 119.950 0.071 0.000 2.361 171 F HA 0.345 4.872 4.527 0.000 0.000 0.364 171 F C -0.605 175.265 175.800 0.116 0.000 1.117 171 F CA -1.171 56.877 58.000 0.080 0.000 1.071 171 F CB 0.513 39.549 39.000 0.060 0.000 1.188 171 F HN 0.245 nan 8.300 nan 0.000 0.464 172 Y N 4.435 124.718 120.300 -0.028 0.000 2.446 172 Y HA 0.629 5.179 4.550 -0.000 0.000 0.338 172 Y C -0.827 174.900 175.900 -0.288 0.000 1.055 172 Y CA -0.400 57.582 58.100 -0.197 0.000 1.101 172 Y CB 1.804 40.222 38.460 -0.071 0.000 1.221 172 Y HN 0.587 nan 8.280 nan 0.000 0.460 173 T N 4.222 117.954 114.554 -1.371 0.000 2.933 173 T HA 0.189 4.539 4.350 -0.000 0.000 0.305 173 T C -2.044 171.953 174.700 -1.171 0.000 1.092 173 T CA -0.744 60.729 62.100 -1.045 0.000 1.008 173 T CB 0.924 69.465 68.868 -0.545 0.000 1.102 173 T HN 0.714 nan 8.240 nan 0.000 0.469 174 D N 2.863 122.917 120.400 -0.576 0.000 2.347 174 D HA 0.541 5.181 4.640 -0.000 0.000 0.235 174 D C 0.295 176.504 176.300 -0.152 0.000 1.149 174 D CA -0.488 53.370 54.000 -0.237 0.000 0.850 174 D CB 1.082 41.860 40.800 -0.036 0.000 1.061 174 D HN 0.586 nan 8.370 nan 0.000 0.487 175 A N 3.004 125.760 122.820 -0.107 0.000 2.535 175 A HA 0.096 4.416 4.320 -0.000 0.000 0.273 175 A C 1.760 179.317 177.584 -0.045 0.000 1.267 175 A CA 0.352 52.359 52.037 -0.049 0.000 0.940 175 A CB -0.369 18.630 19.000 -0.002 0.000 1.101 175 A HN 0.595 nan 8.150 nan 0.000 0.521 176 T N -2.449 112.062 114.554 -0.071 0.000 2.759 176 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 176 T C 1.729 176.381 174.700 -0.079 0.000 1.042 176 T CA 1.918 63.975 62.100 -0.071 0.000 1.140 176 T CB -0.313 68.498 68.868 -0.095 0.000 0.864 176 T HN 0.551 nan 8.240 nan 0.000 0.455 177 A N 1.116 123.870 122.820 -0.111 0.000 2.081 177 A HA 0.248 4.568 4.320 -0.000 0.000 0.214 177 A C 2.577 180.143 177.584 -0.031 0.000 1.158 177 A CA 1.249 53.240 52.037 -0.076 0.000 0.724 177 A CB -0.367 18.566 19.000 -0.111 0.000 0.826 177 A HN 0.735 nan 8.150 nan 0.000 0.463 178 S N -1.059 114.622 115.700 -0.031 0.000 2.502 178 S HA 0.229 4.699 4.470 -0.000 0.000 0.228 178 S C 0.535 175.100 174.600 -0.058 0.000 1.061 178 S CA -0.209 57.981 58.200 -0.017 0.000 0.935 178 S CB -0.702 62.513 63.200 0.025 0.000 0.809 178 S HN 0.320 nan 8.310 nan 0.000 0.510 179 L N 3.306 124.488 121.223 -0.068 0.000 2.540 179 L HA 0.456 4.796 4.340 -0.000 0.000 0.276 179 L C 1.340 178.120 176.870 -0.149 0.000 1.212 179 L CA 1.697 56.470 54.840 -0.112 0.000 0.893 179 L CB -0.207 41.770 42.059 -0.138 0.000 1.138 179 L HN 0.608 nan 8.230 nan 0.000 0.491 180 G N 2.900 111.593 108.800 -0.177 0.000 2.417 180 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.233 180 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.233 180 G C 0.896 175.566 174.900 -0.382 0.000 1.103 180 G CA 0.446 45.418 45.100 -0.212 0.000 0.647 180 G HN 1.258 nan 8.290 nan 0.000 0.512 181 G N -0.071 108.465 108.800 -0.440 0.000 2.545 181 G HA2 0.345 4.305 3.960 -0.000 0.000 0.212 181 G HA3 0.345 4.305 3.960 -0.000 0.000 0.212 181 G C 0.535 175.308 174.900 -0.213 0.000 1.144 181 G CA 0.914 45.636 45.100 -0.630 0.000 0.813 181 G HN 0.623 nan 8.290 nan 0.000 0.531 182 N N 0.017 118.652 118.700 -0.109 0.000 2.405 182 N HA 0.345 5.085 4.740 -0.000 0.000 0.285 182 N C -3.244 172.264 175.510 -0.004 0.000 1.262 182 N CA -1.314 51.730 53.050 -0.010 0.000 0.773 182 N CB 2.166 40.679 38.487 0.044 0.000 1.490 182 N HN -0.209 nan 8.380 nan 0.000 0.486 183 P HA 0.165 nan 4.420 nan 0.000 0.268 183 P C -0.860 176.441 177.300 0.001 0.000 1.205 183 P CA -0.068 63.050 63.100 0.030 0.000 0.771 183 P CB 0.495 32.282 31.700 0.146 0.000 0.858 184 L N 2.636 123.706 121.223 -0.255 0.000 2.568 184 L HA 0.296 4.636 4.340 -0.000 0.000 0.262 184 L C -0.901 175.537 176.870 -0.720 0.000 0.980 184 L CA -0.072 54.490 54.840 -0.462 0.000 0.882 184 L CB 1.328 43.304 42.059 -0.139 0.000 1.198 184 L HN 0.135 nan 8.230 nan 0.000 0.425 185 E N 3.560 122.843 120.200 -1.528 0.000 2.079 185 E HA 0.251 4.601 4.350 -0.000 0.000 0.252 185 E C 0.703 176.882 176.600 -0.701 0.000 0.992 185 E CA -0.147 55.586 56.400 -1.112 0.000 0.829 185 E CB 1.118 30.024 29.700 -1.323 0.000 1.158 185 E HN 0.665 nan 8.360 nan 0.000 0.435 186 T N 1.660 116.025 114.554 -0.316 0.000 2.652 186 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 186 T C 0.982 175.649 174.700 -0.055 0.000 1.039 186 T CA 1.484 63.507 62.100 -0.128 0.000 1.153 186 T CB 0.102 68.928 68.868 -0.069 0.000 0.863 186 T HN 0.275 nan 8.240 nan 0.000 0.428 187 D N 0.402 120.765 120.400 -0.062 0.000 2.162 187 D HA -0.001 4.639 4.640 -0.000 0.000 0.203 187 D C 2.296 178.616 176.300 0.034 0.000 0.967 187 D CA 0.492 54.487 54.000 -0.008 0.000 0.840 187 D CB -0.457 40.333 40.800 -0.017 0.000 0.972 187 D HN 0.229 nan 8.370 nan 0.000 0.482 188 V N 0.043 119.956 119.914 -0.003 0.000 2.427 188 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 188 V C 1.579 177.851 176.094 0.297 0.000 1.051 188 V CA 0.952 63.306 62.300 0.090 0.000 1.048 188 V CB -0.517 31.328 31.823 0.036 0.000 0.666 188 V HN 0.267 nan 8.190 nan 0.000 0.456 189 W N 0.508 121.849 121.300 0.069 0.000 3.292 189 W HA 0.487 5.147 4.660 0.000 0.000 0.263 189 W C 1.776 178.396 176.519 0.168 0.000 1.318 189 W CA 0.007 57.420 57.345 0.112 0.000 1.663 189 W CB -1.291 28.250 29.460 0.135 0.000 1.114 189 W HN 0.447 nan 8.180 nan 0.000 0.706 190 G N 1.015 110.002 108.800 0.311 0.000 2.198 190 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 190 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 190 G C 0.106 175.190 174.900 0.306 0.000 1.025 190 G CA -0.225 45.023 45.100 0.248 0.000 0.769 190 G HN 0.195 nan 8.290 nan 0.000 0.507 191 L N -0.155 121.211 121.223 0.240 0.000 2.426 191 L HA 0.302 4.642 4.340 -0.000 0.000 0.271 191 L C 1.227 178.120 176.870 0.039 0.000 1.169 191 L CA -0.218 54.666 54.840 0.072 0.000 0.836 191 L CB 0.600 42.587 42.059 -0.120 0.000 1.112 191 L HN 0.066 nan 8.230 nan 0.000 0.465 192 D N 1.286 121.702 120.400 0.027 0.000 2.379 192 D HA 0.246 4.886 4.640 -0.000 0.000 0.218 192 D C 0.048 176.345 176.300 -0.005 0.000 1.006 192 D CA 0.548 54.571 54.000 0.039 0.000 0.893 192 D CB 0.781 41.637 40.800 0.093 0.000 1.019 192 D HN 0.513 nan 8.370 nan 0.000 0.503 193 A N 0.393 123.199 122.820 -0.023 0.000 2.517 193 A HA 0.589 4.909 4.320 -0.000 0.000 0.297 193 A C -1.266 176.280 177.584 -0.062 0.000 1.050 193 A CA -0.503 51.535 52.037 0.001 0.000 0.694 193 A CB 1.691 20.765 19.000 0.123 0.000 1.277 193 A HN -0.118 nan 8.150 nan 0.000 0.400 194 V N 1.516 121.326 119.914 -0.174 0.000 2.709 194 V HA 0.814 4.934 4.120 -0.000 0.000 0.308 194 V C 0.092 176.113 176.094 -0.122 0.000 1.062 194 V CA -0.242 61.904 62.300 -0.256 0.000 0.901 194 V CB 2.043 33.689 31.823 -0.295 0.000 1.003 194 V HN 1.333 nan 8.190 nan 0.000 0.425 195 S N 2.791 118.496 115.700 0.008 0.000 2.513 195 S HA 0.980 5.450 4.470 -0.000 0.000 0.299 195 S C -0.403 174.267 174.600 0.116 0.000 1.087 195 S CA 0.107 58.367 58.200 0.101 0.000 1.012 195 S CB 2.260 65.562 63.200 0.171 0.000 1.044 195 S HN 1.494 nan 8.310 nan 0.000 0.485 196 A N 2.103 125.012 122.820 0.148 0.000 2.686 196 A HA 1.073 5.393 4.320 -0.000 0.000 0.263 196 A C 0.226 177.831 177.584 0.034 0.000 1.264 196 A CA -0.610 51.477 52.037 0.084 0.000 0.799 196 A CB 0.856 19.905 19.000 0.082 0.000 1.363 196 A HN 1.838 nan 8.150 nan 0.000 0.507 197 G N -2.365 106.444 108.800 0.014 0.000 2.660 197 G HA2 0.492 4.452 3.960 -0.000 0.000 0.290 197 G HA3 0.492 4.452 3.960 -0.000 0.000 0.290 197 G C -0.119 174.799 174.900 0.030 0.000 1.432 197 G CA -0.357 44.754 45.100 0.018 0.000 0.807 197 G HN 0.319 nan 8.290 nan 0.000 0.485 198 M N -0.135 119.492 119.600 0.045 0.000 2.552 198 M HA 0.122 4.602 4.480 -0.000 0.000 0.264 198 M C 1.555 177.890 176.300 0.059 0.000 1.159 198 M CA 0.579 55.916 55.300 0.061 0.000 1.176 198 M CB -0.853 31.789 32.600 0.071 0.000 1.327 198 M HN 0.727 nan 8.290 nan 0.000 0.481 202 L N 1.727 122.986 121.223 0.060 0.000 2.102 202 L HA 0.408 4.748 4.340 -0.000 0.000 0.202 202 L C 1.728 178.642 176.870 0.074 0.000 1.076 202 L CA 2.827 57.699 54.840 0.054 0.000 0.761 202 L CB -0.650 41.441 42.059 0.054 0.000 0.921 202 L HN 0.575 nan 8.230 nan 0.000 0.444 203 G N -0.651 108.197 108.800 0.080 0.000 2.545 203 G HA2 0.243 4.203 3.960 -0.000 0.000 0.279 203 G HA3 0.243 4.203 3.960 -0.000 0.000 0.279 203 G C 0.472 175.397 174.900 0.043 0.000 1.131 203 G CA 0.134 45.282 45.100 0.078 0.000 1.100 203 G HN 0.942 nan 8.290 nan 0.000 0.525 204 G N 0.263 109.089 108.800 0.044 0.000 2.445 204 G HA2 0.389 4.349 3.960 -0.000 0.000 0.233 204 G HA3 0.389 4.349 3.960 -0.000 0.000 0.233 204 G C -2.053 172.879 174.900 0.055 0.000 1.308 204 G CA -0.038 45.097 45.100 0.059 0.000 1.179 204 G HN 0.900 nan 8.290 nan 0.000 0.637 205 P HA 0.485 nan 4.420 nan 0.000 0.288 205 P C 0.650 177.984 177.300 0.057 0.000 1.267 205 P CA -0.075 63.056 63.100 0.052 0.000 0.815 205 P CB 1.588 33.316 31.700 0.046 0.000 0.989 206 S N 1.144 116.879 115.700 0.058 0.000 2.579 206 S HA 0.485 4.955 4.470 -0.000 0.000 0.275 206 S C 1.055 175.691 174.600 0.061 0.000 1.345 206 S CA 0.591 58.827 58.200 0.060 0.000 1.031 206 S CB -0.075 63.163 63.200 0.063 0.000 0.892 206 S HN 0.893 nan 8.310 nan 0.000 0.529 207 G N 0.832 109.671 108.800 0.066 0.000 2.370 207 G HA2 0.063 4.023 3.960 -0.000 0.000 0.174 207 G HA3 0.063 4.023 3.960 -0.000 0.000 0.174 207 G C -0.096 174.852 174.900 0.080 0.000 1.002 207 G CA 0.003 45.145 45.100 0.071 0.000 0.730 207 G HN 1.070 nan 8.290 nan 0.000 0.497 208 T N 0.191 114.789 114.554 0.074 0.000 2.933 208 T HA 0.636 4.986 4.350 -0.000 0.000 0.305 208 T C -0.782 173.947 174.700 0.048 0.000 1.092 208 T CA 0.125 62.268 62.100 0.071 0.000 1.008 208 T CB 2.026 70.936 68.868 0.071 0.000 1.102 208 T HN 0.655 nan 8.240 nan 0.000 0.469 209 S N 3.152 118.872 115.700 0.033 0.000 2.653 209 S HA 0.522 4.992 4.470 -0.000 0.000 0.272 209 S C -2.905 171.672 174.600 -0.038 0.000 1.221 209 S CA -1.524 56.683 58.200 0.011 0.000 1.149 209 S CB 0.273 63.490 63.200 0.028 0.000 1.029 209 S HN 0.281 nan 8.310 nan 0.000 0.481 210 P HA 0.304 nan 4.420 nan 0.000 0.267 210 P C -0.482 176.861 177.300 0.072 0.000 1.209 210 P CA -0.151 62.850 63.100 -0.165 0.000 0.763 210 P CB 0.244 31.692 31.700 -0.420 0.000 0.816 211 I N -0.800 119.717 120.570 -0.087 0.000 2.892 211 I HA 0.851 5.021 4.170 -0.000 0.000 0.306 211 I C -0.751 175.102 176.117 -0.440 0.000 1.078 211 I CA -0.759 60.415 61.300 -0.210 0.000 1.032 211 I CB 2.811 40.718 38.000 -0.156 0.000 1.229 211 I HN 0.131 nan 8.210 nan 0.000 0.435 212 T N 4.547 118.745 114.554 -0.594 0.000 2.952 212 T HA 0.699 5.049 4.350 -0.000 0.000 0.305 212 T C -1.418 173.118 174.700 -0.273 0.000 1.064 212 T CA -0.520 61.278 62.100 -0.503 0.000 1.008 212 T CB 1.175 69.552 68.868 -0.819 0.000 1.078 212 T HN 0.600 nan 8.240 nan 0.000 0.459 213 L N 4.261 125.412 121.223 -0.120 0.000 2.372 213 L HA 0.521 4.861 4.340 -0.000 0.000 0.274 213 L C 0.728 177.610 176.870 0.020 0.000 0.988 213 L CA -1.077 53.739 54.840 -0.039 0.000 0.833 213 L CB 2.005 44.056 42.059 -0.013 0.000 1.236 213 L HN 0.781 nan 8.230 nan 0.000 0.410 214 S N 1.670 117.372 115.700 0.003 0.000 2.569 214 S HA 0.203 4.673 4.470 -0.000 0.000 0.274 214 S C 1.449 176.089 174.600 0.067 0.000 1.353 214 S CA 0.031 58.247 58.200 0.026 0.000 1.023 214 S CB 1.382 64.597 63.200 0.024 0.000 0.876 214 S HN 0.739 nan 8.310 nan 0.000 0.540 215 A N 1.724 124.584 122.820 0.067 0.000 2.084 215 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 215 A C 2.321 179.950 177.584 0.075 0.000 1.161 215 A CA 1.726 53.815 52.037 0.087 0.000 0.653 215 A CB -0.721 18.313 19.000 0.057 0.000 0.802 215 A HN 0.926 nan 8.150 nan 0.000 0.457 216 R N -1.735 118.799 120.500 0.057 0.000 2.075 216 R HA 0.040 4.380 4.340 -0.000 0.000 0.226 216 R C 2.144 178.468 176.300 0.040 0.000 1.114 216 R CA 1.039 57.168 56.100 0.047 0.000 0.972 216 R CB -0.212 30.117 30.300 0.048 0.000 0.869 216 R HN 0.402 nan 8.270 nan 0.000 0.437 217 M N 1.196 120.819 119.600 0.037 0.000 2.117 217 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 217 M C 1.976 178.274 176.300 -0.003 0.000 1.065 217 M CA 1.855 57.164 55.300 0.015 0.000 1.114 217 M CB -0.600 32.003 32.600 0.006 0.000 1.361 217 M HN 0.221 nan 8.290 nan 0.000 0.408 218 E N -0.638 119.574 120.200 0.021 0.000 2.150 218 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 218 E C 1.813 178.407 176.600 -0.010 0.000 0.985 218 E CA 1.427 57.818 56.400 -0.014 0.000 0.814 218 E CB -0.551 29.196 29.700 0.078 0.000 0.752 218 E HN 0.573 nan 8.360 nan 0.000 0.466 219 E N 0.606 120.821 120.200 0.025 0.000 2.106 219 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 219 E C 2.040 178.640 176.600 0.001 0.000 0.984 219 E CA 1.032 57.444 56.400 0.020 0.000 0.806 219 E CB -0.129 29.590 29.700 0.032 0.000 0.750 219 E HN 0.425 nan 8.360 nan 0.000 0.458 220 A N 0.795 123.613 122.820 -0.003 0.000 1.898 220 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 220 A C 2.080 179.645 177.584 -0.032 0.000 1.181 220 A CA 0.957 52.987 52.037 -0.011 0.000 0.620 220 A CB -0.429 18.567 19.000 -0.006 0.000 0.819 220 A HN 0.255 nan 8.150 nan 0.000 0.442 221 I N -1.376 119.163 120.570 -0.052 0.000 2.353 221 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 221 I C 2.572 178.638 176.117 -0.085 0.000 1.119 221 I CA 1.054 62.305 61.300 -0.082 0.000 1.417 221 I CB -0.181 37.746 38.000 -0.123 0.000 1.078 221 I HN 0.124 nan 8.210 nan 0.000 0.421 222 R N 0.837 121.293 120.500 -0.074 0.000 2.193 222 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 222 R C 2.167 178.444 176.300 -0.038 0.000 1.110 222 R CA 0.951 57.016 56.100 -0.060 0.000 0.988 222 R CB -0.298 29.981 30.300 -0.034 0.000 0.871 222 R HN 0.273 nan 8.270 nan 0.000 0.458 223 R N -0.317 120.164 120.500 -0.031 0.000 2.189 223 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 223 R C 1.437 177.717 176.300 -0.032 0.000 1.074 223 R CA 0.710 56.797 56.100 -0.022 0.000 0.991 223 R CB 0.046 30.338 30.300 -0.012 0.000 0.883 223 R HN 0.109 nan 8.270 nan 0.000 0.457 224 R N 1.294 121.764 120.500 -0.049 0.000 2.276 224 R HA 0.019 4.359 4.340 -0.000 0.000 0.196 224 R C 0.480 176.734 176.300 -0.077 0.000 0.961 224 R CA -0.024 56.035 56.100 -0.067 0.000 1.024 224 R CB -0.210 30.041 30.300 -0.082 0.000 0.940 224 R HN 0.056 nan 8.270 nan 0.000 0.480 225 K N 1.440 121.800 120.400 -0.067 0.000 2.392 225 K HA -0.172 4.148 4.320 -0.000 0.000 0.259 225 K C -0.991 175.567 176.600 -0.070 0.000 1.141 225 K CA 0.625 56.870 56.287 -0.070 0.000 1.208 225 K CB -0.028 32.443 32.500 -0.048 0.000 0.786 225 K HN 0.133 nan 8.250 nan 0.000 0.498 226 C N 6.039 125.286 119.300 -0.088 0.000 2.679 226 C HA 0.337 4.797 4.460 -0.000 0.000 0.354 226 C C -1.002 173.931 174.990 -0.094 0.000 1.067 226 C CA -0.839 58.129 59.018 -0.083 0.000 1.317 226 C CB 0.225 27.908 27.740 -0.094 0.000 1.843 226 C HN 0.606 nan 8.230 nan 0.000 0.459 227 V N 5.538 125.383 119.914 -0.116 0.000 2.465 227 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 227 V C 0.726 176.769 176.094 -0.084 0.000 1.045 227 V CA -0.167 62.038 62.300 -0.158 0.000 0.938 227 V CB 1.382 32.969 31.823 -0.394 0.000 0.986 227 V HN 0.834 nan 8.190 nan 0.000 0.467 228 E N 3.486 123.658 120.200 -0.046 0.000 2.608 228 E HA -0.089 4.261 4.350 -0.000 0.000 0.259 228 E C 1.372 177.967 176.600 -0.008 0.000 0.951 228 E CA 0.767 57.158 56.400 -0.015 0.000 0.945 228 E CB 0.972 30.676 29.700 0.005 0.000 0.916 228 E HN 0.901 nan 8.360 nan 0.000 0.477 229 E N 3.759 123.959 120.200 -0.000 0.000 2.267 229 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 229 E C 1.732 178.344 176.600 0.019 0.000 0.998 229 E CA 1.412 57.819 56.400 0.011 0.000 0.830 229 E CB -0.571 29.134 29.700 0.008 0.000 0.751 229 E HN 0.721 nan 8.360 nan 0.000 0.491 230 G N 0.495 109.304 108.800 0.014 0.000 2.572 230 G HA2 0.184 4.144 3.960 -0.000 0.000 0.216 230 G HA3 0.184 4.144 3.960 -0.000 0.000 0.216 230 G C 1.379 176.298 174.900 0.032 0.000 1.133 230 G CA 0.857 45.968 45.100 0.018 0.000 0.791 230 G HN 0.812 nan 8.290 nan 0.000 0.538 231 I N -2.698 117.896 120.570 0.040 0.000 3.817 231 I HA 0.474 4.644 4.170 -0.000 0.000 0.325 231 I C 0.378 176.568 176.117 0.122 0.000 1.550 231 I CA -0.691 60.651 61.300 0.070 0.000 1.100 231 I CB 0.554 38.593 38.000 0.064 0.000 1.216 231 I HN -0.176 nan 8.210 nan 0.000 0.481 232 R N 3.283 123.855 120.500 0.118 0.000 2.296 232 R HA 0.315 4.655 4.340 -0.000 0.000 0.327 232 R C 0.466 176.895 176.300 0.216 0.000 1.137 232 R CA 0.034 56.267 56.100 0.222 0.000 1.020 232 R CB 0.625 30.992 30.300 0.110 0.000 1.110 232 R HN 0.497 nan 8.270 nan 0.000 0.499 233 T N -0.654 114.051 114.554 0.252 0.000 2.833 233 T HA 0.135 4.485 4.350 -0.000 0.000 0.312 233 T C 0.671 175.335 174.700 -0.059 0.000 1.085 233 T CA -0.582 61.518 62.100 -0.000 0.000 0.955 233 T CB 0.624 69.420 68.868 -0.121 0.000 1.353 233 T HN 0.367 nan 8.240 nan 0.000 0.544 234 D N -0.220 120.123 120.400 -0.095 0.000 2.328 234 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 234 D C 1.615 177.855 176.300 -0.100 0.000 1.072 234 D CA 0.237 54.196 54.000 -0.068 0.000 0.850 234 D CB 0.060 40.834 40.800 -0.043 0.000 0.922 234 D HN 0.639 nan 8.370 nan 0.000 0.516 235 A N -0.342 122.349 122.820 -0.214 0.000 2.115 235 A HA 0.051 4.371 4.320 -0.000 0.000 0.211 235 A C 0.591 178.095 177.584 -0.133 0.000 1.169 235 A CA 0.040 51.962 52.037 -0.192 0.000 0.787 235 A CB -0.224 18.636 19.000 -0.233 0.000 0.858 235 A HN 0.230 nan 8.150 nan 0.000 0.474 236 H N 0.757 119.832 119.070 0.009 0.000 2.683 236 H HA 0.492 5.048 4.556 -0.000 0.000 0.339 236 H C 0.161 175.491 175.328 0.004 0.000 1.081 236 H CA -0.002 56.051 56.048 0.008 0.000 1.432 236 H CB 0.521 30.288 29.762 0.009 0.000 1.462 236 H HN 0.520 nan 8.280 nan 0.000 0.557 237 R N 1.433 122.013 120.500 0.133 0.000 2.668 237 R HA 0.325 4.665 4.340 -0.000 0.000 0.272 237 R C -1.608 174.716 176.300 0.040 0.000 1.019 237 R CA -1.122 55.018 56.100 0.067 0.000 0.894 237 R CB 1.293 31.619 30.300 0.044 0.000 1.228 237 R HN 0.390 nan 8.270 nan 0.000 0.460 238 D N 0.990 121.402 120.400 0.021 0.000 2.357 238 D HA 0.273 4.913 4.640 -0.000 0.000 0.242 238 D C 0.635 176.935 176.300 -0.000 0.000 1.153 238 D CA 0.313 54.313 54.000 0.000 0.000 0.918 238 D CB 1.033 41.829 40.800 -0.007 0.000 1.181 238 D HN 0.663 nan 8.370 nan 0.000 0.435 239 G N -1.152 107.642 108.800 -0.011 0.000 2.531 239 G HA2 0.406 4.366 3.960 -0.000 0.000 0.281 239 G HA3 0.406 4.366 3.960 -0.000 0.000 0.281 239 G C 0.800 175.697 174.900 -0.006 0.000 1.382 239 G CA 0.255 45.350 45.100 -0.008 0.000 1.045 239 G HN 0.475 nan 8.290 nan 0.000 0.533 240 D N -0.912 119.486 120.400 -0.003 0.000 2.137 240 D HA 0.137 4.777 4.640 -0.000 0.000 0.202 240 D C 1.205 177.505 176.300 -0.001 0.000 0.970 240 D CA 1.130 55.130 54.000 0.000 0.000 0.837 240 D CB -0.175 40.628 40.800 0.004 0.000 0.981 240 D HN 0.544 nan 8.370 nan 0.000 0.475 241 E N 0.141 120.338 120.200 -0.006 0.000 2.342 241 E HA 0.374 4.724 4.350 -0.000 0.000 0.257 241 E C 0.438 177.028 176.600 -0.018 0.000 1.150 241 E CA -0.336 56.061 56.400 -0.005 0.000 0.926 241 E CB 0.908 30.605 29.700 -0.005 0.000 1.074 241 E HN 0.685 nan 8.360 nan 0.000 0.449 242 E N 1.414 121.608 120.200 -0.010 0.000 2.416 242 E HA 0.059 4.409 4.350 -0.000 0.000 0.254 242 E C -0.081 176.442 176.600 -0.128 0.000 1.241 242 E CA -0.404 55.974 56.400 -0.037 0.000 0.969 242 E CB 0.347 30.069 29.700 0.036 0.000 0.999 242 E HN 0.422 nan 8.360 nan 0.000 0.481 243 M N 0.102 119.553 119.600 -0.249 0.000 2.240 243 M HA 0.299 4.779 4.480 -0.000 0.000 0.333 243 M C -0.386 175.589 176.300 -0.542 0.000 1.110 243 M CA -0.312 54.780 55.300 -0.346 0.000 1.173 243 M CB 0.284 32.682 32.600 -0.338 0.000 1.458 243 M HN 0.405 nan 8.290 nan 0.000 0.458 244 I N 2.367 122.735 120.570 -0.336 0.000 2.556 244 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 244 I C -0.640 175.302 176.117 -0.290 0.000 1.114 244 I CA -0.048 61.108 61.300 -0.240 0.000 1.418 244 I CB 0.160 38.101 38.000 -0.099 0.000 1.394 244 I HN 0.607 nan 8.210 nan 0.000 0.552 245 Y N 5.137 125.451 120.300 0.023 0.000 2.930 245 Y HA 0.306 4.856 4.550 -0.000 0.000 0.386 245 Y C 0.728 176.662 175.900 0.056 0.000 1.185 245 Y CA 0.002 58.121 58.100 0.031 0.000 1.922 245 Y CB -0.056 38.418 38.460 0.023 0.000 2.006 245 Y HN 0.501 nan 8.280 nan 0.000 0.431 246 S N -0.246 115.526 115.700 0.119 0.000 2.556 246 S HA 0.174 4.644 4.470 -0.000 0.000 0.280 246 S C 0.193 174.842 174.600 0.083 0.000 1.141 246 S CA -0.791 57.488 58.200 0.132 0.000 0.883 246 S CB 0.872 64.209 63.200 0.229 0.000 1.103 246 S HN 0.477 nan 8.310 nan 0.000 0.453 247 N N 1.626 120.372 118.700 0.076 0.000 2.349 247 N HA 0.075 4.815 4.740 -0.000 0.000 0.180 247 N C 1.480 177.104 175.510 0.191 0.000 1.024 247 N CA 1.008 54.113 53.050 0.091 0.000 0.869 247 N CB -0.326 38.186 38.487 0.042 0.000 1.022 247 N HN 0.638 nan 8.380 nan 0.000 0.433 248 Y N -0.481 119.769 120.300 -0.083 0.000 2.242 248 Y HA 0.022 4.572 4.550 -0.000 0.000 0.291 248 Y C 0.652 176.453 175.900 -0.164 0.000 1.137 248 Y CA 1.418 59.393 58.100 -0.207 0.000 1.181 248 Y CB -0.103 38.013 38.460 -0.572 0.000 0.989 248 Y HN 0.086 nan 8.280 nan 0.000 0.527 249 F N -0.259 119.735 119.950 0.072 0.000 2.641 249 F HA 0.157 4.684 4.527 -0.000 0.000 0.302 249 F C 0.483 176.222 175.800 -0.101 0.000 1.098 249 F CA -0.628 57.343 58.000 -0.050 0.000 1.318 249 F CB -0.359 38.652 39.000 0.017 0.000 1.035 249 F HN -0.127 nan 8.300 nan 0.000 0.551 250 D N 1.506 121.929 120.400 0.038 0.000 2.383 250 D HA 0.035 4.675 4.640 -0.000 0.000 0.245 250 D C 1.308 177.504 176.300 -0.174 0.000 1.263 250 D CA 0.306 54.270 54.000 -0.060 0.000 0.936 250 D CB 0.448 41.214 40.800 -0.056 0.000 1.053 250 D HN 0.248 nan 8.370 nan 0.000 0.507 251 L N 3.021 124.152 121.223 -0.153 0.000 2.362 251 L HA -0.027 4.313 4.340 -0.000 0.000 0.219 251 L C 2.394 179.102 176.870 -0.269 0.000 1.134 251 L CA 0.813 55.529 54.840 -0.208 0.000 0.807 251 L CB -0.145 41.804 42.059 -0.184 0.000 0.927 251 L HN 0.456 nan 8.230 nan 0.000 0.447 252 G N 0.034 108.692 108.800 -0.238 0.000 2.421 252 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 252 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 252 G C 1.621 176.375 174.900 -0.242 0.000 1.171 252 G CA 0.589 45.539 45.100 -0.249 0.000 0.775 252 G HN 0.208 nan 8.290 nan 0.000 0.543 253 M N 0.032 119.495 119.600 -0.228 0.000 2.200 253 M HA -0.015 4.465 4.480 -0.000 0.000 0.265 253 M C 2.675 178.836 176.300 -0.230 0.000 1.066 253 M CA 0.634 55.810 55.300 -0.206 0.000 1.127 253 M CB -0.150 32.343 32.600 -0.179 0.000 1.379 253 M HN 0.115 nan 8.290 nan 0.000 0.420 254 V N 0.516 120.218 119.914 -0.353 0.000 2.295 254 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 254 V C 2.353 178.504 176.094 0.095 0.000 1.049 254 V CA 1.832 64.063 62.300 -0.114 0.000 1.024 254 V CB -0.624 31.105 31.823 -0.157 0.000 0.648 254 V HN 0.505 nan 8.190 nan 0.000 0.447 255 M N -0.225 119.249 119.600 -0.209 0.000 2.117 255 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 255 M C 2.007 178.182 176.300 -0.207 0.000 1.065 255 M CA 1.876 56.866 55.300 -0.517 0.000 1.114 255 M CB -0.661 31.183 32.600 -1.259 0.000 1.361 255 M HN 0.337 nan 8.290 nan 0.000 0.408 256 D N -0.660 119.683 120.400 -0.095 0.000 2.218 256 D HA -0.180 4.460 4.640 -0.000 0.000 0.204 256 D C 1.641 178.074 176.300 0.221 0.000 0.976 256 D CA 1.248 55.296 54.000 0.080 0.000 0.853 256 D CB -0.304 40.522 40.800 0.043 0.000 0.939 256 D HN 0.414 nan 8.370 nan 0.000 0.481 257 Y N -0.570 119.804 120.300 0.124 0.000 2.206 257 Y HA -0.112 4.438 4.550 -0.000 0.000 0.292 257 Y C 1.618 177.597 175.900 0.132 0.000 1.123 257 Y CA 1.131 59.304 58.100 0.122 0.000 1.142 257 Y CB -0.434 38.076 38.460 0.083 0.000 1.006 257 Y HN -0.102 nan 8.280 nan 0.000 0.518 258 W N 1.122 122.493 121.300 0.117 0.000 2.937 258 W HA 0.221 4.881 4.660 0.000 0.000 0.245 258 W C 1.426 178.072 176.519 0.212 0.000 1.306 258 W CA 0.782 58.192 57.345 0.108 0.000 1.470 258 W CB -0.608 28.997 29.460 0.241 0.000 1.132 258 W HN 0.085 nan 8.180 nan 0.000 0.675 259 G N 0.293 109.380 108.800 0.478 0.000 2.535 259 G HA2 0.212 4.172 3.960 -0.000 0.000 0.303 259 G HA3 0.212 4.172 3.960 -0.000 0.000 0.303 259 G C -1.505 173.528 174.900 0.221 0.000 1.237 259 G CA -0.896 44.470 45.100 0.443 0.000 0.986 259 G HN -0.231 nan 8.290 nan 0.000 0.494 260 P HA -0.035 nan 4.420 nan 0.000 0.221 260 P C 1.554 178.910 177.300 0.094 0.000 1.145 260 P CA 1.922 65.085 63.100 0.104 0.000 0.795 260 P CB 0.045 31.797 31.700 0.087 0.000 0.775 261 E N 0.899 121.175 120.200 0.126 0.000 2.150 261 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 261 E C 1.262 177.923 176.600 0.101 0.000 0.985 261 E CA 0.771 57.239 56.400 0.113 0.000 0.814 261 E CB -1.010 28.779 29.700 0.148 0.000 0.752 261 E HN 0.124 nan 8.360 nan 0.000 0.466 262 R N -0.820 119.750 120.500 0.115 0.000 3.516 262 R HA -0.135 4.205 4.340 -0.000 0.000 0.271 262 R C 0.476 176.932 176.300 0.261 0.000 1.098 262 R CA 0.772 56.953 56.100 0.135 0.000 0.732 262 R CB -2.865 27.526 30.300 0.152 0.000 1.152 262 R HN 0.563 nan 8.270 nan 0.000 0.455 263 L N 1.876 123.254 121.223 0.259 0.000 2.584 263 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 263 L C 0.639 177.758 176.870 0.415 0.000 1.195 263 L CA 0.621 55.623 54.840 0.269 0.000 0.920 263 L CB 0.317 42.492 42.059 0.193 0.000 1.173 263 L HN 0.077 nan 8.230 nan 0.000 0.489 264 N N 4.437 123.334 118.700 0.328 0.000 2.744 264 N HA -0.076 4.664 4.740 -0.000 0.000 0.290 264 N C 1.059 176.638 175.510 0.115 0.000 1.206 264 N CA 0.211 53.454 53.050 0.322 0.000 1.119 264 N CB -0.184 38.457 38.487 0.257 0.000 1.449 264 N HN 0.670 nan 8.380 nan 0.000 0.514 265 H N 1.499 120.498 119.070 -0.118 0.000 2.329 265 H HA -0.031 4.525 4.556 -0.000 0.000 0.306 265 H C -0.128 175.099 175.328 -0.168 0.000 1.062 265 H CA 1.240 57.191 56.048 -0.161 0.000 1.364 265 H CB 0.467 30.149 29.762 -0.134 0.000 1.409 265 H HN 0.671 nan 8.280 nan 0.000 0.519 266 H N -1.584 117.130 119.070 -0.594 0.000 3.017 266 H HA 0.205 4.761 4.556 -0.000 0.000 0.346 266 H C -1.159 173.932 175.328 -0.395 0.000 1.286 266 H CA -0.666 55.116 56.048 -0.444 0.000 1.120 266 H CB 0.772 30.331 29.762 -0.339 0.000 1.860 266 H HN -0.070 nan 8.280 nan 0.000 0.542 267 T N 2.229 116.690 114.554 -0.154 0.000 2.738 267 T HA 0.049 4.399 4.350 -0.000 0.000 0.294 267 T C 0.412 175.097 174.700 -0.025 0.000 0.914 267 T CA -0.174 61.848 62.100 -0.130 0.000 1.052 267 T CB 0.115 68.956 68.868 -0.045 0.000 0.897 267 T HN 0.475 nan 8.240 nan 0.000 0.522 268 E N 2.946 123.061 120.200 -0.141 0.000 2.502 268 E HA 0.203 4.553 4.350 -0.000 0.000 0.261 268 E C 0.199 176.818 176.600 0.031 0.000 0.974 268 E CA -0.155 56.264 56.400 0.032 0.000 0.936 268 E CB 0.292 29.968 29.700 -0.040 0.000 0.926 268 E HN 0.681 nan 8.360 nan 0.000 0.459 269 A N 4.790 127.667 122.820 0.095 0.000 2.639 269 A HA 0.057 4.377 4.320 -0.000 0.000 0.295 269 A C 1.198 178.712 177.584 -0.116 0.000 1.443 269 A CA 0.396 52.440 52.037 0.012 0.000 1.117 269 A CB -0.568 18.467 19.000 0.058 0.000 1.098 269 A HN 0.811 nan 8.150 nan 0.000 0.552 270 T N 1.930 116.355 114.554 -0.215 0.000 2.665 270 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 270 T C 1.999 176.209 174.700 -0.817 0.000 1.035 270 T CA 2.439 64.244 62.100 -0.492 0.000 1.151 270 T CB -0.282 68.355 68.868 -0.385 0.000 0.862 270 T HN 0.655 nan 8.240 nan 0.000 0.438 271 T N 1.759 116.060 114.554 -0.423 0.000 2.737 271 T HA 0.070 4.420 4.350 -0.000 0.000 0.265 271 T C 2.462 177.095 174.700 -0.113 0.000 1.038 271 T CA 1.075 63.034 62.100 -0.235 0.000 1.144 271 T CB -0.610 68.233 68.868 -0.042 0.000 0.866 271 T HN 0.441 nan 8.240 nan 0.000 0.434 272 A N 1.233 124.009 122.820 -0.073 0.000 1.908 272 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 272 A C 2.275 179.878 177.584 0.032 0.000 1.181 272 A CA 1.450 53.492 52.037 0.009 0.000 0.627 272 A CB -0.957 18.064 19.000 0.036 0.000 0.818 272 A HN 0.480 nan 8.150 nan 0.000 0.445 273 L N -1.601 119.600 121.223 -0.036 0.000 2.083 273 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 273 L C 2.230 179.177 176.870 0.129 0.000 1.083 273 L CA 1.531 56.397 54.840 0.044 0.000 0.752 273 L CB -0.297 41.749 42.059 -0.022 0.000 0.899 273 L HN 0.357 nan 8.230 nan 0.000 0.433 274 F N 0.038 119.984 119.950 -0.006 0.000 2.134 274 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 274 F C 2.504 178.292 175.800 -0.020 0.000 1.097 274 F CA 0.867 58.825 58.000 -0.069 0.000 1.264 274 F CB -1.778 37.163 39.000 -0.098 0.000 1.001 274 F HN 0.132 nan 8.300 nan 0.000 0.479 275 G N -0.441 108.478 108.800 0.198 0.000 2.421 275 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 275 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 275 G C 1.926 176.909 174.900 0.139 0.000 1.171 275 G CA 1.037 46.215 45.100 0.130 0.000 0.775 275 G HN 0.451 nan 8.290 nan 0.000 0.543 276 A N 0.410 123.338 122.820 0.179 0.000 1.972 276 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 276 A C 2.313 180.081 177.584 0.306 0.000 1.169 276 A CA 1.808 54.008 52.037 0.272 0.000 0.635 276 A CB -0.436 18.727 19.000 0.272 0.000 0.810 276 A HN 0.367 nan 8.150 nan 0.000 0.446 277 R N -0.586 120.056 120.500 0.237 0.000 2.073 277 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 277 R C 2.032 178.369 176.300 0.061 0.000 1.134 277 R CA 1.588 57.786 56.100 0.163 0.000 0.952 277 R CB -0.187 30.200 30.300 0.145 0.000 0.850 277 R HN 0.461 nan 8.270 nan 0.000 0.433 278 E N 0.310 120.542 120.200 0.054 0.000 2.031 278 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 278 E C 2.147 178.744 176.600 -0.003 0.000 0.994 278 E CA 1.327 57.735 56.400 0.013 0.000 0.800 278 E CB -0.540 29.166 29.700 0.009 0.000 0.752 278 E HN 0.420 nan 8.360 nan 0.000 0.447 279 C N 0.902 120.213 119.300 0.019 0.000 2.376 279 C HA -0.202 4.258 4.460 -0.000 0.000 0.275 279 C C 2.863 177.802 174.990 -0.085 0.000 1.200 279 C CA 1.271 60.290 59.018 0.002 0.000 1.756 279 C CB -1.239 26.537 27.740 0.060 0.000 2.050 279 C HN 0.514 nan 8.230 nan 0.000 0.460 280 A N -0.092 122.607 122.820 -0.202 0.000 1.898 280 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 280 A C 2.249 179.701 177.584 -0.220 0.000 1.181 280 A CA 1.775 53.567 52.037 -0.409 0.000 0.620 280 A CB -0.658 17.805 19.000 -0.893 0.000 0.819 280 A HN 0.647 nan 8.150 nan 0.000 0.442 281 R N -0.428 119.995 120.500 -0.128 0.000 2.091 281 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 281 R C 1.923 178.197 176.300 -0.045 0.000 1.136 281 R CA 1.627 57.688 56.100 -0.065 0.000 0.959 281 R CB -0.376 29.907 30.300 -0.028 0.000 0.856 281 R HN 0.558 nan 8.270 nan 0.000 0.437 282 L N -0.105 121.096 121.223 -0.037 0.000 2.156 282 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 282 L C 2.267 179.136 176.870 -0.002 0.000 1.095 282 L CA 0.877 55.712 54.840 -0.008 0.000 0.770 282 L CB -0.236 41.826 42.059 0.006 0.000 0.914 282 L HN 0.232 nan 8.230 nan 0.000 0.439 283 I N -0.234 120.316 120.570 -0.033 0.000 2.286 283 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 283 I C 2.220 178.321 176.117 -0.025 0.000 1.104 283 I CA 1.254 62.537 61.300 -0.029 0.000 1.397 283 I CB -0.070 37.881 38.000 -0.082 0.000 1.072 283 I HN 0.194 nan 8.210 nan 0.000 0.417 284 L N -0.303 120.889 121.223 -0.052 0.000 2.313 284 L HA -0.118 4.222 4.340 -0.000 0.000 0.214 284 L C 2.461 179.333 176.870 0.003 0.000 1.119 284 L CA 0.769 55.589 54.840 -0.035 0.000 0.809 284 L CB -0.470 41.553 42.059 -0.060 0.000 0.933 284 L HN 0.289 nan 8.230 nan 0.000 0.449 285 Q N 0.032 119.836 119.800 0.007 0.000 2.046 285 Q HA -0.239 4.101 4.340 -0.000 0.000 0.200 285 Q C 2.130 178.159 176.000 0.049 0.000 0.975 285 Q CA 1.585 57.403 55.803 0.024 0.000 0.836 285 Q CB 0.052 28.799 28.738 0.015 0.000 0.896 285 Q HN 0.463 nan 8.270 nan 0.000 0.428 286 E N -0.462 119.774 120.200 0.061 0.000 2.106 286 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 286 E C -0.076 176.646 176.600 0.203 0.000 0.984 286 E CA 0.752 57.210 56.400 0.097 0.000 0.806 286 E CB 0.184 29.942 29.700 0.098 0.000 0.750 286 E HN 0.350 nan 8.360 nan 0.000 0.458 287 G N 0.607 109.501 108.800 0.157 0.000 3.434 287 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 287 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 287 G C 0.017 174.959 174.900 0.071 0.000 1.099 287 G CA -0.035 45.156 45.100 0.151 0.000 0.931 287 G HN 0.226 nan 8.290 nan 0.000 0.520 288 L N 1.485 122.695 121.223 -0.023 0.000 2.042 288 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 288 L C 2.259 179.093 176.870 -0.060 0.000 1.076 288 L CA 2.997 57.806 54.840 -0.051 0.000 0.749 288 L CB -0.261 41.745 42.059 -0.089 0.000 0.893 288 L HN 0.662 nan 8.230 nan 0.000 0.432 289 D N -1.633 118.687 120.400 -0.134 0.000 2.178 289 D HA -0.195 4.445 4.640 -0.000 0.000 0.202 289 D C 2.079 178.313 176.300 -0.111 0.000 0.974 289 D CA 1.298 55.198 54.000 -0.167 0.000 0.841 289 D CB -0.139 40.497 40.800 -0.274 0.000 0.953 289 D HN 0.407 nan 8.370 nan 0.000 0.478 290 Y N 1.057 121.365 120.300 0.013 0.000 2.263 290 Y HA 0.020 4.570 4.550 -0.000 0.000 0.292 290 Y C 2.628 178.561 175.900 0.055 0.000 1.130 290 Y CA 0.865 58.981 58.100 0.028 0.000 1.179 290 Y CB -0.926 37.548 38.460 0.024 0.000 0.998 290 Y HN -0.038 nan 8.280 nan 0.000 0.532 291 G N 0.129 109.052 108.800 0.204 0.000 2.421 291 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 291 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 291 G C 1.758 176.785 174.900 0.211 0.000 1.171 291 G CA 1.206 46.423 45.100 0.195 0.000 0.775 291 G HN 0.391 nan 8.290 nan 0.000 0.543 292 I N 1.433 122.055 120.570 0.086 0.000 2.226 292 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 292 I C 3.272 179.461 176.117 0.121 0.000 1.100 292 I CA 1.040 62.373 61.300 0.055 0.000 1.374 292 I CB -0.172 37.828 38.000 -0.000 0.000 1.057 292 I HN 0.239 nan 8.210 nan 0.000 0.413 293 A N 0.563 123.451 122.820 0.113 0.000 1.933 293 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 293 A C 2.435 180.076 177.584 0.095 0.000 1.175 293 A CA 1.709 53.807 52.037 0.102 0.000 0.628 293 A CB -0.620 18.448 19.000 0.113 0.000 0.814 293 A HN 0.375 nan 8.150 nan 0.000 0.444 294 R N -1.195 119.387 120.500 0.136 0.000 2.075 294 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 294 R C 2.048 178.406 176.300 0.096 0.000 1.126 294 R CA 1.515 57.666 56.100 0.086 0.000 0.963 294 R CB -0.482 29.913 30.300 0.157 0.000 0.858 294 R HN 0.716 nan 8.270 nan 0.000 0.435 295 H N -0.134 118.994 119.070 0.096 0.000 2.421 295 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 295 H C 1.925 177.294 175.328 0.069 0.000 1.087 295 H CA 1.562 57.673 56.048 0.104 0.000 1.330 295 H CB 0.169 29.980 29.762 0.081 0.000 1.388 295 H HN 0.237 nan 8.280 nan 0.000 0.526 296 K N 0.799 121.290 120.400 0.152 0.000 2.103 296 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 296 K C 2.239 178.858 176.600 0.032 0.000 1.052 296 K CA 0.408 56.744 56.287 0.081 0.000 0.945 296 K CB 0.030 32.570 32.500 0.067 0.000 0.722 296 K HN 0.051 nan 8.250 nan 0.000 0.443 297 L N 0.953 122.155 121.223 -0.034 0.000 2.017 297 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 297 L C 1.970 178.786 176.870 -0.091 0.000 1.073 297 L CA 1.878 56.658 54.840 -0.099 0.000 0.745 297 L CB -0.426 41.460 42.059 -0.289 0.000 0.894 297 L HN 0.285 nan 8.230 nan 0.000 0.432 298 H N -1.054 118.079 119.070 0.104 0.000 2.512 298 H HA 0.198 4.754 4.556 -0.000 0.000 0.279 298 H C 2.063 177.400 175.328 0.016 0.000 0.999 298 H CA 0.801 56.901 56.048 0.086 0.000 1.283 298 H CB -0.343 29.457 29.762 0.064 0.000 1.421 298 H HN 0.505 nan 8.280 nan 0.000 0.554 299 G N 1.109 109.970 108.800 0.102 0.000 2.394 299 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.214 299 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.214 299 G C 1.216 176.101 174.900 -0.025 0.000 1.176 299 G CA 0.632 45.763 45.100 0.052 0.000 0.786 299 G HN 0.273 nan 8.290 nan 0.000 0.533 300 D N 0.951 121.303 120.400 -0.080 0.000 2.178 300 D HA 0.050 4.690 4.640 -0.000 0.000 0.202 300 D C 2.725 178.764 176.300 -0.435 0.000 0.974 300 D CA 1.034 54.896 54.000 -0.230 0.000 0.841 300 D CB -0.337 40.316 40.800 -0.246 0.000 0.953 300 D HN 0.298 nan 8.370 nan 0.000 0.478 301 A N 0.411 122.997 122.820 -0.390 0.000 1.972 301 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 301 A C 2.072 179.547 177.584 -0.181 0.000 1.169 301 A CA 0.816 52.628 52.037 -0.375 0.000 0.635 301 A CB -0.583 18.218 19.000 -0.333 0.000 0.810 301 A HN 0.241 nan 8.150 nan 0.000 0.446 302 L N -0.071 121.100 121.223 -0.088 0.000 2.056 302 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 302 L C 2.399 179.237 176.870 -0.053 0.000 1.078 302 L CA 1.783 56.597 54.840 -0.042 0.000 0.749 302 L CB -0.461 41.595 42.059 -0.005 0.000 0.901 302 L HN 0.174 nan 8.230 nan 0.000 0.433 303 V N -0.102 119.767 119.914 -0.075 0.000 2.233 303 V HA -0.343 3.777 4.120 -0.000 0.000 0.247 303 V C 2.536 178.590 176.094 -0.066 0.000 1.050 303 V CA 2.288 64.553 62.300 -0.059 0.000 1.010 303 V CB -0.887 30.893 31.823 -0.070 0.000 0.637 303 V HN 0.436 nan 8.190 nan 0.000 0.444 304 K N 0.477 120.802 120.400 -0.125 0.000 2.074 304 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 304 K C 2.259 178.833 176.600 -0.043 0.000 1.048 304 K CA 1.668 57.896 56.287 -0.098 0.000 0.926 304 K CB -0.769 31.635 32.500 -0.160 0.000 0.713 304 K HN 0.583 nan 8.250 nan 0.000 0.444 305 G N 1.639 110.411 108.800 -0.046 0.000 2.421 305 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 305 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 305 G C 1.454 176.360 174.900 0.011 0.000 1.171 305 G CA 0.432 45.525 45.100 -0.011 0.000 0.775 305 G HN 0.055 nan 8.290 nan 0.000 0.543 306 I N 0.931 121.506 120.570 0.008 0.000 2.226 306 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 306 I C 2.830 178.981 176.117 0.056 0.000 1.100 306 I CA 1.205 62.528 61.300 0.038 0.000 1.374 306 I CB -1.122 36.903 38.000 0.042 0.000 1.057 306 I HN 0.341 nan 8.210 nan 0.000 0.413 307 Q N 0.186 120.007 119.800 0.035 0.000 2.167 307 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 307 Q C 2.283 178.312 176.000 0.048 0.000 0.970 307 Q CA 1.564 57.391 55.803 0.040 0.000 0.855 307 Q CB -0.152 28.596 28.738 0.017 0.000 0.911 307 Q HN 0.519 nan 8.270 nan 0.000 0.438 308 A N 0.500 123.345 122.820 0.042 0.000 2.067 308 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 308 A C 1.852 179.474 177.584 0.063 0.000 1.156 308 A CA 0.554 52.619 52.037 0.047 0.000 0.683 308 A CB -0.318 18.709 19.000 0.044 0.000 0.808 308 A HN 0.325 nan 8.150 nan 0.000 0.455 309 M N -0.778 118.870 119.600 0.080 0.000 2.619 309 M HA 0.119 4.599 4.480 -0.000 0.000 0.251 309 M C 1.075 177.476 176.300 0.169 0.000 1.106 309 M CA 0.965 56.335 55.300 0.116 0.000 1.086 309 M CB -0.047 32.629 32.600 0.127 0.000 1.465 309 M HN 0.615 nan 8.290 nan 0.000 0.506 310 G N 1.961 110.846 108.800 0.141 0.000 2.248 310 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.263 310 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.263 310 G C -0.572 174.472 174.900 0.239 0.000 1.082 310 G CA -0.172 45.029 45.100 0.168 0.000 0.863 310 G HN 0.460 nan 8.290 nan 0.000 0.495 311 L N -0.396 120.927 121.223 0.167 0.000 2.346 311 L HA 0.563 4.903 4.340 -0.000 0.000 0.276 311 L C 0.550 177.473 176.870 0.087 0.000 1.006 311 L CA -1.072 53.845 54.840 0.130 0.000 0.817 311 L CB 1.679 43.816 42.059 0.130 0.000 1.272 311 L HN 0.223 nan 8.230 nan 0.000 0.421 312 E N 0.929 121.166 120.200 0.063 0.000 2.366 312 E HA 0.301 4.651 4.350 -0.000 0.000 0.266 312 E C -0.433 176.208 176.600 0.069 0.000 1.051 312 E CA -0.350 56.082 56.400 0.054 0.000 0.884 312 E CB 1.103 30.826 29.700 0.038 0.000 1.006 312 E HN 0.580 nan 8.360 nan 0.000 0.417 313 T N -0.602 113.994 114.554 0.071 0.000 2.925 313 T HA 0.456 4.806 4.350 -0.000 0.000 0.285 313 T C -0.631 174.149 174.700 0.134 0.000 1.021 313 T CA -0.818 61.342 62.100 0.100 0.000 1.042 313 T CB 0.727 69.637 68.868 0.070 0.000 1.037 313 T HN 0.320 nan 8.240 nan 0.000 0.481 314 F N 1.559 121.531 119.950 0.037 0.000 2.404 314 F HA 0.601 5.128 4.527 -0.000 0.000 0.339 314 F C 0.794 176.630 175.800 0.060 0.000 1.105 314 F CA 0.966 58.995 58.000 0.048 0.000 1.087 314 F CB 0.296 39.331 39.000 0.060 0.000 1.143 314 F HN 1.320 nan 8.300 nan 0.000 0.491 315 G N 4.244 112.596 108.800 -0.746 0.000 2.661 315 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.685 315 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.685 315 G C -1.533 173.236 174.900 -0.219 0.000 1.298 315 G CA -0.622 44.165 45.100 -0.523 0.000 0.855 315 G HN 0.893 nan 8.290 nan 0.000 0.560 316 D N 0.381 120.704 120.400 -0.128 0.000 2.374 316 D HA 0.380 5.020 4.640 -0.000 0.000 0.240 316 D C 1.919 178.210 176.300 -0.015 0.000 1.229 316 D CA -0.422 53.548 54.000 -0.051 0.000 0.895 316 D CB 0.191 40.992 40.800 0.000 0.000 1.046 316 D HN 0.449 nan 8.370 nan 0.000 0.498 317 L N 3.172 124.375 121.223 -0.034 0.000 2.353 317 L HA -0.122 4.218 4.340 -0.000 0.000 0.220 317 L C 2.278 179.110 176.870 -0.063 0.000 1.133 317 L CA 0.677 55.500 54.840 -0.029 0.000 0.798 317 L CB -0.222 41.819 42.059 -0.029 0.000 0.922 317 L HN 0.356 nan 8.230 nan 0.000 0.445 318 K N -0.206 120.125 120.400 -0.115 0.000 2.063 318 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 318 K C 0.724 177.086 176.600 -0.397 0.000 1.048 318 K CA 1.411 57.534 56.287 -0.274 0.000 0.928 318 K CB -0.122 32.157 32.500 -0.369 0.000 0.713 318 K HN 0.467 nan 8.250 nan 0.000 0.442 319 H N -0.340 118.710 119.070 -0.033 0.000 2.472 319 H HA 0.188 4.744 4.556 -0.000 0.000 0.287 319 H C -0.649 174.677 175.328 -0.003 0.000 1.112 319 H CA -0.331 55.698 56.048 -0.031 0.000 1.021 319 H CB 0.385 30.107 29.762 -0.066 0.000 1.635 319 H HN -0.069 nan 8.280 nan 0.000 0.559 320 K N 1.384 121.825 120.400 0.069 0.000 2.270 320 K HA 0.171 4.491 4.320 -0.000 0.000 0.276 320 K C -0.009 176.641 176.600 0.083 0.000 1.023 320 K CA -0.441 55.893 56.287 0.079 0.000 0.955 320 K CB 0.689 33.221 32.500 0.053 0.000 0.975 320 K HN 0.225 nan 8.250 nan 0.000 0.471 321 M N 3.577 123.238 119.600 0.102 0.000 2.249 321 M HA -0.066 4.414 4.480 -0.000 0.000 0.340 321 M C 1.199 177.554 176.300 0.092 0.000 1.166 321 M CA -0.067 55.292 55.300 0.099 0.000 1.115 321 M CB 0.405 33.070 32.600 0.108 0.000 1.606 321 M HN 0.646 nan 8.290 nan 0.000 0.448 322 N N 1.967 120.724 118.700 0.095 0.000 2.166 322 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 322 N C 0.939 176.533 175.510 0.140 0.000 1.019 322 N CA 1.359 54.476 53.050 0.112 0.000 0.856 322 N CB -0.314 38.255 38.487 0.135 0.000 0.993 322 N HN 0.642 nan 8.380 nan 0.000 0.426 323 N N 0.114 118.908 118.700 0.156 0.000 2.280 323 N HA 0.008 4.748 4.740 -0.000 0.000 0.192 323 N C -0.135 175.450 175.510 0.126 0.000 1.109 323 N CA 0.097 53.257 53.050 0.184 0.000 0.855 323 N CB 0.453 39.087 38.487 0.245 0.000 0.974 323 N HN -0.071 nan 8.380 nan 0.000 0.482 324 V N 0.253 120.232 119.914 0.109 0.000 2.962 324 V HA 0.537 4.657 4.120 -0.000 0.000 0.313 324 V C -0.688 175.466 176.094 0.099 0.000 1.099 324 V CA -0.980 61.381 62.300 0.101 0.000 0.971 324 V CB 2.918 34.806 31.823 0.107 0.000 1.028 324 V HN 0.035 nan 8.190 nan 0.000 0.430 325 L N 2.015 123.297 121.223 0.098 0.000 2.438 325 L HA 0.744 5.084 4.340 -0.000 0.000 0.270 325 L C 0.235 177.184 176.870 0.132 0.000 0.972 325 L CA -0.316 54.588 54.840 0.106 0.000 0.831 325 L CB 1.920 44.027 42.059 0.080 0.000 1.273 325 L HN 0.939 nan 8.230 nan 0.000 0.405 326 G N 4.170 113.073 108.800 0.171 0.000 2.356 326 G HA2 0.463 4.423 3.960 -0.000 0.000 0.300 326 G HA3 0.463 4.423 3.960 -0.000 0.000 0.300 326 G C -0.666 174.347 174.900 0.188 0.000 1.107 326 G CA -0.197 45.019 45.100 0.194 0.000 0.960 326 G HN 0.324 nan 8.290 nan 0.000 0.418 327 V N 4.158 124.178 119.914 0.178 0.000 2.347 327 V HA 0.175 4.295 4.120 -0.000 0.000 0.280 327 V C 0.375 176.513 176.094 0.073 0.000 1.021 327 V CA -0.733 61.682 62.300 0.192 0.000 0.847 327 V CB 1.482 33.495 31.823 0.317 0.000 0.990 327 V HN 0.522 nan 8.190 nan 0.000 0.444 328 V N 6.594 126.516 119.914 0.014 0.000 2.572 328 V HA 0.226 4.346 4.120 -0.000 0.000 0.291 328 V C 0.390 176.297 176.094 -0.313 0.000 1.039 328 V CA -0.099 62.126 62.300 -0.125 0.000 1.055 328 V CB 0.949 32.755 31.823 -0.028 0.000 0.969 328 V HN 0.631 nan 8.190 nan 0.000 0.482 329 I N 7.580 127.800 120.570 -0.582 0.000 2.452 329 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 329 I C -1.984 173.867 176.117 -0.443 0.000 1.079 329 I CA -1.504 59.314 61.300 -0.804 0.000 1.387 329 I CB 0.777 38.165 38.000 -1.020 0.000 1.404 329 I HN 0.458 nan 8.210 nan 0.000 0.522 330 P HA 0.098 nan 4.420 nan 0.000 0.271 330 P C -1.037 176.133 177.300 -0.216 0.000 1.216 330 P CA -0.460 62.441 63.100 -0.333 0.000 0.776 330 P CB 0.397 31.666 31.700 -0.717 0.000 0.881 331 Q N 1.599 121.336 119.800 -0.105 0.000 2.255 331 Q HA 0.397 4.737 4.340 -0.000 0.000 0.280 331 Q C 1.395 177.385 176.000 -0.017 0.000 1.068 331 Q CA 1.666 57.433 55.803 -0.059 0.000 0.911 331 Q CB -0.467 28.256 28.738 -0.024 0.000 1.157 331 Q HN 0.812 nan 8.270 nan 0.000 0.380 332 G N 0.197 108.981 108.800 -0.026 0.000 2.192 332 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.193 332 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.193 332 G C -0.058 174.846 174.900 0.008 0.000 0.999 332 G CA -0.354 44.751 45.100 0.009 0.000 0.659 332 G HN 0.884 nan 8.290 nan 0.000 0.503 333 I N 0.306 120.856 120.570 -0.033 0.000 2.465 333 I HA 0.781 4.951 4.170 -0.000 0.000 0.291 333 I C 0.084 176.186 176.117 -0.025 0.000 1.014 333 I CA -0.862 60.433 61.300 -0.009 0.000 1.093 333 I CB 1.355 39.351 38.000 -0.007 0.000 1.267 333 I HN 0.266 nan 8.210 nan 0.000 0.431 334 N N 3.900 122.610 118.700 0.017 0.000 2.442 334 N HA 0.228 4.968 4.740 -0.000 0.000 0.265 334 N C 1.394 176.943 175.510 0.065 0.000 1.138 334 N CA 0.728 53.785 53.050 0.011 0.000 0.956 334 N CB 1.600 40.101 38.487 0.023 0.000 1.067 334 N HN 0.943 nan 8.380 nan 0.000 0.474 335 G N 2.602 111.398 108.800 -0.008 0.000 2.440 335 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 335 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 335 G C 1.263 176.301 174.900 0.230 0.000 1.154 335 G CA 1.502 46.643 45.100 0.069 0.000 0.767 335 G HN 0.778 nan 8.290 nan 0.000 0.552 336 D N -0.125 120.328 120.400 0.088 0.000 2.183 336 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 336 D C 2.253 178.614 176.300 0.101 0.000 0.969 336 D CA 1.484 55.540 54.000 0.094 0.000 0.842 336 D CB -0.497 40.344 40.800 0.068 0.000 0.957 336 D HN 0.527 nan 8.370 nan 0.000 0.484 337 Q N -0.560 119.300 119.800 0.101 0.000 2.079 337 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 337 Q C 2.540 178.600 176.000 0.100 0.000 0.974 337 Q CA 1.417 57.276 55.803 0.093 0.000 0.840 337 Q CB -0.178 28.608 28.738 0.081 0.000 0.898 337 Q HN 0.507 nan 8.270 nan 0.000 0.430 338 A N 0.949 123.845 122.820 0.126 0.000 1.877 338 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 338 A C 2.066 179.618 177.584 -0.054 0.000 1.186 338 A CA 1.479 53.537 52.037 0.035 0.000 0.620 338 A CB -0.520 18.491 19.000 0.018 0.000 0.822 338 A HN 0.347 nan 8.150 nan 0.000 0.443 339 R N -0.479 120.008 120.500 -0.021 0.000 2.091 339 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 339 R C 2.429 178.733 176.300 0.006 0.000 1.136 339 R CA 1.850 57.925 56.100 -0.040 0.000 0.959 339 R CB -0.270 30.046 30.300 0.026 0.000 0.856 339 R HN 0.618 nan 8.270 nan 0.000 0.437 340 K N 0.932 121.358 120.400 0.043 0.000 2.002 340 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 340 K C 2.035 178.673 176.600 0.065 0.000 1.048 340 K CA 1.409 57.729 56.287 0.056 0.000 0.930 340 K CB -0.110 32.430 32.500 0.066 0.000 0.714 340 K HN 0.136 nan 8.250 nan 0.000 0.438 341 L N 0.571 121.843 121.223 0.082 0.000 2.083 341 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 341 L C 2.715 179.671 176.870 0.144 0.000 1.083 341 L CA 0.731 55.644 54.840 0.122 0.000 0.752 341 L CB -0.306 41.854 42.059 0.168 0.000 0.899 341 L HN 0.289 nan 8.230 nan 0.000 0.433 342 M N -0.839 118.799 119.600 0.062 0.000 2.132 342 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 342 M C 2.354 178.703 176.300 0.081 0.000 1.065 342 M CA 1.690 57.011 55.300 0.035 0.000 1.122 342 M CB -0.836 31.692 32.600 -0.121 0.000 1.365 342 M HN 0.252 nan 8.290 nan 0.000 0.411 343 L N 0.381 121.633 121.223 0.048 0.000 2.044 343 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 343 L C 2.118 179.020 176.870 0.054 0.000 1.075 343 L CA 1.847 56.715 54.840 0.046 0.000 0.747 343 L CB -0.416 41.664 42.059 0.035 0.000 0.903 343 L HN 0.272 nan 8.230 nan 0.000 0.435 344 E N -0.904 119.329 120.200 0.054 0.000 2.086 344 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 344 E C 1.294 177.901 176.600 0.012 0.000 0.975 344 E CA 1.144 57.564 56.400 0.034 0.000 0.813 344 E CB 0.065 29.786 29.700 0.034 0.000 0.768 344 E HN 0.496 nan 8.360 nan 0.000 0.457 345 D N -0.949 119.469 120.400 0.030 0.000 2.355 345 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 345 D C 0.856 177.015 176.300 -0.235 0.000 1.010 345 D CA 0.581 54.530 54.000 -0.085 0.000 0.875 345 D CB 0.228 40.983 40.800 -0.074 0.000 0.966 345 D HN 0.097 nan 8.370 nan 0.000 0.512 346 F N -0.476 119.448 119.950 -0.042 0.000 2.752 346 F HA 0.285 4.812 4.527 -0.000 0.000 0.310 346 F C 1.532 177.311 175.800 -0.036 0.000 1.097 346 F CA 0.124 58.098 58.000 -0.044 0.000 1.238 346 F CB 0.975 39.942 39.000 -0.055 0.000 1.061 346 F HN -0.022 nan 8.300 nan 0.000 0.591 347 G N 2.102 110.973 108.800 0.119 0.000 2.198 347 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 347 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 347 G C -0.173 174.765 174.900 0.063 0.000 1.042 347 G CA 0.115 45.255 45.100 0.066 0.000 0.791 347 G HN 0.312 nan 8.290 nan 0.000 0.502 348 I N -0.139 120.470 120.570 0.065 0.000 2.465 348 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 348 I C 0.150 176.262 176.117 -0.008 0.000 1.014 348 I CA -0.834 60.477 61.300 0.017 0.000 1.093 348 I CB 2.048 40.039 38.000 -0.015 0.000 1.267 348 I HN 0.210 nan 8.210 nan 0.000 0.431 349 E N 7.666 127.860 120.200 -0.009 0.000 2.146 349 E HA 0.503 4.853 4.350 -0.000 0.000 0.282 349 E C -1.013 175.561 176.600 -0.042 0.000 0.989 349 E CA -0.611 55.780 56.400 -0.015 0.000 0.799 349 E CB 1.104 30.813 29.700 0.015 0.000 1.088 349 E HN 0.588 nan 8.360 nan 0.000 0.397 350 I N 0.884 121.404 120.570 -0.082 0.000 2.707 350 I HA 0.678 4.848 4.170 -0.000 0.000 0.309 350 I C 0.497 176.590 176.117 -0.040 0.000 1.001 350 I CA -1.185 60.057 61.300 -0.096 0.000 1.129 350 I CB 1.710 39.572 38.000 -0.230 0.000 1.308 350 I HN 0.470 nan 8.210 nan 0.000 0.466 351 G N 1.410 110.214 108.800 0.006 0.000 2.444 351 G HA2 0.429 4.389 3.960 -0.000 0.000 0.268 351 G HA3 0.429 4.389 3.960 -0.000 0.000 0.268 351 G C -0.394 174.534 174.900 0.048 0.000 1.203 351 G CA -0.301 44.814 45.100 0.025 0.000 0.835 351 G HN 0.776 nan 8.290 nan 0.000 0.543 352 T N 0.244 114.767 114.554 -0.052 0.000 2.922 352 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 352 T C 0.617 175.122 174.700 -0.326 0.000 1.005 352 T CA -0.362 61.654 62.100 -0.140 0.000 1.061 352 T CB 0.602 69.363 68.868 -0.179 0.000 1.007 352 T HN 0.384 nan 8.240 nan 0.000 0.502 353 S N 2.328 117.868 115.700 -0.266 0.000 2.616 353 S HA 0.654 5.124 4.470 -0.000 0.000 0.277 353 S C -0.939 173.541 174.600 -0.199 0.000 1.234 353 S CA -0.480 57.589 58.200 -0.218 0.000 1.028 353 S CB 0.329 63.456 63.200 -0.121 0.000 0.988 353 S HN 0.542 nan 8.310 nan 0.000 0.522 354 F N 0.810 120.861 119.950 0.168 0.000 2.523 354 F HA 0.695 5.222 4.527 -0.000 0.000 0.329 354 F C 1.251 177.102 175.800 0.085 0.000 1.061 354 F CA 0.291 58.362 58.000 0.118 0.000 0.967 354 F CB 0.843 39.871 39.000 0.046 0.000 1.218 354 F HN 0.833 nan 8.300 nan 0.000 0.480 355 G N 1.740 110.666 108.800 0.209 0.000 2.543 355 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.286 355 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.286 355 G C -1.751 173.123 174.900 -0.044 0.000 1.153 355 G CA -0.071 45.046 45.100 0.028 0.000 0.968 355 G HN 0.574 nan 8.290 nan 0.000 0.544 356 P HA 0.276 nan 4.420 nan 0.000 0.249 356 P C 1.104 178.310 177.300 -0.156 0.000 1.241 356 P CA 0.821 63.776 63.100 -0.243 0.000 0.781 356 P CB -0.086 31.319 31.700 -0.493 0.000 1.088 357 L N -2.093 119.085 121.223 -0.074 0.000 3.135 357 L HA 0.253 4.593 4.340 -0.000 0.000 0.279 357 L C 0.616 177.435 176.870 -0.085 0.000 1.200 357 L CA -0.527 54.254 54.840 -0.099 0.000 1.016 357 L CB -0.245 41.728 42.059 -0.143 0.000 1.391 357 L HN -0.022 nan 8.230 nan 0.000 0.588 358 H N 0.766 119.777 119.070 -0.099 0.000 2.929 358 H HA 0.315 4.871 4.556 -0.000 0.000 0.317 358 H C 1.290 176.546 175.328 -0.120 0.000 1.031 358 H CA 1.206 57.194 56.048 -0.100 0.000 1.466 358 H CB 0.818 30.563 29.762 -0.029 0.000 1.482 358 H HN 0.288 nan 8.280 nan 0.000 0.561 359 G N 4.491 112.905 108.800 -0.644 0.000 2.184 359 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.264 359 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.264 359 G C 1.162 175.835 174.900 -0.378 0.000 0.975 359 G CA 0.647 45.466 45.100 -0.470 0.000 0.642 359 G HN 0.585 nan 8.290 nan 0.000 0.536 360 K N -0.950 119.240 120.400 -0.350 0.000 2.367 360 K HA 0.432 4.752 4.320 -0.000 0.000 0.198 360 K C 0.681 177.043 176.600 -0.396 0.000 1.132 360 K CA 0.777 56.875 56.287 -0.314 0.000 0.941 360 K CB 0.910 33.293 32.500 -0.195 0.000 1.052 360 K HN 0.403 nan 8.250 nan 0.000 0.507 361 V N 1.866 121.543 119.914 -0.395 0.000 2.638 361 V HA 0.308 4.428 4.120 -0.000 0.000 0.306 361 V C -0.910 175.014 176.094 -0.282 0.000 1.052 361 V CA -1.061 61.037 62.300 -0.336 0.000 0.885 361 V CB 2.333 33.976 31.823 -0.299 0.000 0.999 361 V HN 0.122 nan 8.190 nan 0.000 0.424 362 W N 3.145 124.381 121.300 -0.106 0.000 2.381 362 W HA 0.588 5.248 4.660 0.000 0.000 0.329 362 W C 0.305 176.787 176.519 -0.063 0.000 1.157 362 W CA -0.923 56.365 57.345 -0.096 0.000 1.240 362 W CB 1.173 30.584 29.460 -0.081 0.000 1.199 362 W HN 0.379 nan 8.180 nan 0.000 0.579 363 R N 2.986 123.599 120.500 0.188 0.000 2.310 363 R HA 0.442 4.782 4.340 -0.000 0.000 0.316 363 R C -0.501 175.852 176.300 0.087 0.000 1.004 363 R CA -0.619 55.549 56.100 0.113 0.000 0.900 363 R CB 0.870 31.215 30.300 0.075 0.000 1.152 363 R HN 0.307 nan 8.270 nan 0.000 0.513 364 I N 2.098 122.717 120.570 0.080 0.000 2.312 364 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 364 I C 0.769 176.914 176.117 0.046 0.000 1.008 364 I CA -0.519 60.802 61.300 0.036 0.000 1.226 364 I CB 1.750 39.755 38.000 0.009 0.000 1.371 364 I HN 0.570 nan 8.210 nan 0.000 0.468 365 G N 3.137 111.961 108.800 0.040 0.000 2.371 365 G HA2 0.548 4.508 3.960 -0.000 0.000 0.326 365 G HA3 0.548 4.508 3.960 -0.000 0.000 0.326 365 G C -0.151 174.771 174.900 0.037 0.000 1.127 365 G CA -0.382 44.751 45.100 0.055 0.000 0.885 365 G HN 0.588 nan 8.290 nan 0.000 0.477 366 T N 0.280 114.864 114.554 0.050 0.000 3.250 366 T HA 0.609 4.959 4.350 -0.000 0.000 0.391 366 T C 0.131 174.842 174.700 0.019 0.000 1.502 366 T CA -0.571 61.538 62.100 0.015 0.000 1.320 366 T CB -0.084 68.799 68.868 0.025 0.000 1.102 366 T HN 0.376 nan 8.240 nan 0.000 0.610 367 M N 1.716 121.339 119.600 0.038 0.000 2.602 367 M HA 0.678 5.158 4.480 -0.000 0.000 0.312 367 M C 1.185 177.556 176.300 0.118 0.000 1.181 367 M CA -0.608 54.785 55.300 0.154 0.000 0.910 367 M CB 1.872 34.577 32.600 0.175 0.000 1.723 367 M HN 0.696 nan 8.290 nan 0.000 0.459 368 G N 0.986 109.974 108.800 0.314 0.000 2.634 368 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.309 368 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.309 368 G C 0.294 175.271 174.900 0.129 0.000 1.265 368 G CA 1.251 46.498 45.100 0.245 0.000 0.998 368 G HN 0.912 nan 8.290 nan 0.000 0.551 369 Y N 2.378 122.695 120.300 0.029 0.000 2.315 369 Y HA -0.072 4.478 4.550 -0.000 0.000 0.288 369 Y C 2.638 178.510 175.900 -0.046 0.000 1.154 369 Y CA 2.500 60.597 58.100 -0.005 0.000 1.229 369 Y CB -0.215 38.248 38.460 0.005 0.000 0.980 369 Y HN 0.366 nan 8.280 nan 0.000 0.540 370 N N 0.356 119.006 118.700 -0.084 0.000 2.398 370 N HA 0.118 4.858 4.740 -0.000 0.000 0.188 370 N C 0.134 175.505 175.510 -0.231 0.000 1.122 370 N CA 0.773 53.714 53.050 -0.182 0.000 0.866 370 N CB -0.181 38.272 38.487 -0.058 0.000 0.970 370 N HN 0.274 nan 8.380 nan 0.000 0.462 371 A N 1.348 124.015 122.820 -0.255 0.000 2.981 371 A HA 0.253 4.573 4.320 -0.000 0.000 0.280 371 A C 0.199 177.516 177.584 -0.445 0.000 1.743 371 A CA -0.034 51.816 52.037 -0.311 0.000 1.430 371 A CB -0.421 18.262 19.000 -0.529 0.000 1.085 371 A HN 0.082 nan 8.150 nan 0.000 0.597 372 R N 0.584 120.689 120.500 -0.657 0.000 2.740 372 R HA 0.295 4.635 4.340 -0.000 0.000 0.273 372 R C 0.585 176.381 176.300 -0.840 0.000 0.998 372 R CA -0.797 54.811 56.100 -0.820 0.000 0.900 372 R CB 1.705 31.716 30.300 -0.481 0.000 1.223 372 R HN 0.560 nan 8.270 nan 0.000 0.466 373 K N 1.373 121.341 120.400 -0.721 0.000 2.044 373 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 373 K C 1.225 177.619 176.600 -0.343 0.000 1.049 373 K CA 2.545 58.551 56.287 -0.467 0.000 0.927 373 K CB -0.024 32.109 32.500 -0.611 0.000 0.713 373 K HN 0.661 nan 8.250 nan 0.000 0.443 374 D N 0.321 120.537 120.400 -0.306 0.000 2.144 374 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 374 D C 1.992 178.179 176.300 -0.187 0.000 0.978 374 D CA 1.195 55.062 54.000 -0.221 0.000 0.833 374 D CB -0.902 39.791 40.800 -0.178 0.000 0.961 374 D HN 0.319 nan 8.370 nan 0.000 0.470 375 C N 0.607 119.779 119.300 -0.213 0.000 2.432 375 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 375 C C 3.144 178.052 174.990 -0.137 0.000 1.249 375 C CA 0.463 59.379 59.018 -0.170 0.000 1.725 375 C CB -0.922 26.701 27.740 -0.196 0.000 2.028 375 C HN 0.224 nan 8.230 nan 0.000 0.477 376 V N 0.359 120.193 119.914 -0.134 0.000 2.295 376 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 376 V C 2.441 178.485 176.094 -0.084 0.000 1.049 376 V CA 2.240 64.501 62.300 -0.064 0.000 1.024 376 V CB -0.603 31.250 31.823 0.049 0.000 0.648 376 V HN 0.442 nan 8.190 nan 0.000 0.447 377 M N -0.206 119.319 119.600 -0.125 0.000 2.132 377 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 377 M C 2.190 178.399 176.300 -0.152 0.000 1.065 377 M CA 1.973 57.163 55.300 -0.183 0.000 1.122 377 M CB -0.853 31.582 32.600 -0.275 0.000 1.365 377 M HN 0.321 nan 8.290 nan 0.000 0.411 378 T N -0.343 114.137 114.554 -0.123 0.000 2.777 378 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 378 T C 1.641 176.270 174.700 -0.119 0.000 1.040 378 T CA 1.969 64.015 62.100 -0.089 0.000 1.141 378 T CB -0.374 68.459 68.868 -0.059 0.000 0.868 378 T HN 0.438 nan 8.240 nan 0.000 0.444 379 T N 2.436 116.914 114.554 -0.126 0.000 2.746 379 T HA 0.052 4.402 4.350 -0.000 0.000 0.267 379 T C 1.997 176.591 174.700 -0.177 0.000 1.039 379 T CA 0.825 62.832 62.100 -0.155 0.000 1.142 379 T CB -0.442 68.352 68.868 -0.124 0.000 0.866 379 T HN 0.231 nan 8.240 nan 0.000 0.444 380 L N 1.505 122.646 121.223 -0.136 0.000 2.012 380 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 380 L C 2.963 179.758 176.870 -0.125 0.000 1.073 380 L CA 1.651 56.422 54.840 -0.116 0.000 0.748 380 L CB -0.691 41.314 42.059 -0.089 0.000 0.891 380 L HN 0.396 nan 8.230 nan 0.000 0.431 381 S N -0.313 115.310 115.700 -0.129 0.000 2.406 381 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 381 S C 2.080 176.553 174.600 -0.210 0.000 1.020 381 S CA 0.693 58.830 58.200 -0.105 0.000 0.965 381 S CB -0.239 62.932 63.200 -0.047 0.000 0.798 381 S HN 0.331 nan 8.310 nan 0.000 0.488 382 A N 1.715 124.305 122.820 -0.383 0.000 1.929 382 A HA 0.254 4.574 4.320 -0.000 0.000 0.216 382 A C 2.266 179.464 177.584 -0.643 0.000 1.176 382 A CA 1.005 52.513 52.037 -0.881 0.000 0.628 382 A CB -0.745 17.618 19.000 -1.062 0.000 0.816 382 A HN 0.534 nan 8.150 nan 0.000 0.444 383 L N -0.669 120.321 121.223 -0.389 0.000 2.005 383 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 383 L C 2.641 179.414 176.870 -0.163 0.000 1.072 383 L CA 2.280 56.942 54.840 -0.297 0.000 0.744 383 L CB -0.433 41.475 42.059 -0.252 0.000 0.895 383 L HN 0.630 nan 8.230 nan 0.000 0.433 384 E N -0.330 119.814 120.200 -0.093 0.000 2.085 384 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 384 E C 2.048 178.663 176.600 0.024 0.000 0.994 384 E CA 1.345 57.751 56.400 0.010 0.000 0.801 384 E CB -0.026 29.687 29.700 0.022 0.000 0.743 384 E HN 0.569 nan 8.360 nan 0.000 0.453 385 A N 0.286 123.084 122.820 -0.037 0.000 1.902 385 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 385 A C 2.407 180.042 177.584 0.085 0.000 1.181 385 A CA 1.512 53.563 52.037 0.024 0.000 0.623 385 A CB -0.665 18.345 19.000 0.016 0.000 0.818 385 A HN 0.239 nan 8.150 nan 0.000 0.443 386 V N -0.112 119.806 119.914 0.008 0.000 2.358 386 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 386 V C 2.546 178.748 176.094 0.180 0.000 1.047 386 V CA 1.911 64.277 62.300 0.111 0.000 1.035 386 V CB -0.620 31.192 31.823 -0.019 0.000 0.658 386 V HN 0.563 nan 8.190 nan 0.000 0.452 387 L N -0.017 121.287 121.223 0.134 0.000 2.109 387 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 387 L C 2.387 179.408 176.870 0.251 0.000 1.086 387 L CA 1.221 56.190 54.840 0.215 0.000 0.760 387 L CB -0.676 41.552 42.059 0.282 0.000 0.910 387 L HN 0.349 nan 8.230 nan 0.000 0.437 388 N N -0.508 118.317 118.700 0.207 0.000 2.166 388 N HA -0.239 4.501 4.740 -0.000 0.000 0.186 388 N C 1.719 177.347 175.510 0.197 0.000 1.019 388 N CA 1.242 54.392 53.050 0.167 0.000 0.856 388 N CB -0.380 38.183 38.487 0.127 0.000 0.993 388 N HN 0.403 nan 8.380 nan 0.000 0.426 389 Y N 0.378 120.729 120.300 0.086 0.000 2.293 389 Y HA -0.056 4.494 4.550 0.000 0.000 0.291 389 Y C 1.062 177.011 175.900 0.081 0.000 1.137 389 Y CA 0.703 58.850 58.100 0.079 0.000 1.202 389 Y CB 0.167 38.679 38.460 0.087 0.000 0.990 389 Y HN -0.091 nan 8.280 nan 0.000 0.537 390 L N 1.510 122.772 121.223 0.064 0.000 2.728 390 L HA 0.122 4.462 4.340 -0.000 0.000 0.235 390 L C 0.293 177.197 176.870 0.056 0.000 1.197 390 L CA 0.479 55.314 54.840 -0.009 0.000 0.992 390 L CB -0.802 41.296 42.059 0.065 0.000 1.263 390 L HN 0.123 nan 8.230 nan 0.000 0.484 391 K N -1.232 119.210 120.400 0.069 0.000 3.192 391 K HA -0.267 4.053 4.320 -0.000 0.000 0.278 391 K C -0.021 176.671 176.600 0.153 0.000 1.164 391 K CA 0.465 56.799 56.287 0.077 0.000 0.816 391 K CB -2.018 30.502 32.500 0.034 0.000 1.256 391 K HN 0.180 nan 8.250 nan 0.000 0.497 392 F N 2.108 122.081 119.950 0.038 0.000 2.361 392 F HA 0.388 4.915 4.527 -0.000 0.000 0.364 392 F C -2.381 173.446 175.800 0.045 0.000 1.117 392 F CA -2.590 55.436 58.000 0.045 0.000 1.071 392 F CB 1.056 40.095 39.000 0.064 0.000 1.188 392 F HN -0.201 nan 8.300 nan 0.000 0.464 393 P HA 0.288 nan 4.420 nan 0.000 0.280 393 P C -0.998 175.962 177.300 -0.566 0.000 1.244 393 P CA -0.186 62.673 63.100 -0.401 0.000 0.784 393 P CB 1.194 32.731 31.700 -0.271 0.000 0.913 394 T N -1.376 113.021 114.554 -0.263 0.000 2.916 394 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 394 T C -0.260 174.395 174.700 -0.075 0.000 1.055 394 T CA -0.759 61.246 62.100 -0.158 0.000 1.009 394 T CB 0.498 69.347 68.868 -0.031 0.000 1.118 394 T HN 0.125 nan 8.240 nan 0.000 0.497 395 T N 2.677 117.206 114.554 -0.042 0.000 2.817 395 T HA 0.120 4.470 4.350 -0.000 0.000 0.295 395 T C 0.362 175.068 174.700 0.009 0.000 0.958 395 T CA -0.074 62.018 62.100 -0.013 0.000 1.157 395 T CB 0.341 69.209 68.868 -0.000 0.000 0.898 395 T HN 0.699 nan 8.240 nan 0.000 0.536 396 Q N 1.968 121.775 119.800 0.012 0.000 2.244 396 Q HA 0.274 4.614 4.340 -0.000 0.000 0.278 396 Q C 1.323 177.350 176.000 0.044 0.000 1.093 396 Q CA 0.930 56.751 55.803 0.028 0.000 0.916 396 Q CB -0.301 28.452 28.738 0.025 0.000 1.159 396 Q HN 1.061 nan 8.270 nan 0.000 0.384 397 G N 2.776 111.614 108.800 0.063 0.000 2.199 397 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.254 397 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.254 397 G C 0.753 175.715 174.900 0.103 0.000 0.982 397 G CA 0.473 45.628 45.100 0.092 0.000 0.632 397 G HN 0.861 nan 8.290 nan 0.000 0.529 398 A N 0.440 123.305 122.820 0.075 0.000 1.902 398 A HA 0.415 4.735 4.320 -0.000 0.000 0.217 398 A C 2.835 180.471 177.584 0.086 0.000 1.181 398 A CA 2.769 54.850 52.037 0.073 0.000 0.623 398 A CB -0.860 18.170 19.000 0.050 0.000 0.818 398 A HN 1.787 nan 8.150 nan 0.000 0.443 399 A N -0.841 122.027 122.820 0.080 0.000 1.877 399 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 399 A C 2.155 179.787 177.584 0.080 0.000 1.186 399 A CA 1.987 54.065 52.037 0.068 0.000 0.620 399 A CB -0.462 18.570 19.000 0.054 0.000 0.822 399 A HN 0.413 nan 8.150 nan 0.000 0.443 400 M N -0.958 118.714 119.600 0.120 0.000 2.175 400 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 400 M C 2.221 178.739 176.300 0.364 0.000 1.063 400 M CA 1.815 57.218 55.300 0.172 0.000 1.119 400 M CB -1.368 31.405 32.600 0.289 0.000 1.377 400 M HN 0.596 nan 8.290 nan 0.000 0.415 401 Q N 0.648 120.645 119.800 0.328 0.000 2.030 401 Q HA -0.081 4.258 4.340 -0.000 0.000 0.204 401 Q C 2.073 178.219 176.000 0.243 0.000 0.986 401 Q CA 2.666 58.649 55.803 0.300 0.000 0.843 401 Q CB -0.489 28.349 28.738 0.167 0.000 0.904 401 Q HN 0.466 nan 8.270 nan 0.000 0.420 402 A N 0.155 123.066 122.820 0.152 0.000 1.940 402 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 402 A C 2.259 179.900 177.584 0.095 0.000 1.176 402 A CA 2.070 54.167 52.037 0.101 0.000 0.631 402 A CB -1.168 17.864 19.000 0.054 0.000 0.814 402 A HN 0.549 nan 8.150 nan 0.000 0.446 403 A N -1.602 121.271 122.820 0.089 0.000 1.872 403 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 403 A C 2.079 179.753 177.584 0.150 0.000 1.187 403 A CA 1.203 53.262 52.037 0.036 0.000 0.614 403 A CB -0.747 18.230 19.000 -0.038 0.000 0.826 403 A HN 0.736 nan 8.150 nan 0.000 0.442 404 W N 0.931 122.334 121.300 0.170 0.000 2.358 404 W HA -0.111 4.549 4.660 -0.000 0.000 0.303 404 W C 1.493 178.095 176.519 0.138 0.000 1.208 404 W CA 1.703 59.158 57.345 0.184 0.000 1.274 404 W CB -0.693 28.836 29.460 0.115 0.000 1.138 404 W HN 0.422 nan 8.180 nan 0.000 0.515 405 D N -2.021 118.573 120.400 0.324 0.000 2.178 405 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 405 D C 1.962 178.358 176.300 0.160 0.000 0.980 405 D CA 1.414 55.533 54.000 0.198 0.000 0.842 405 D CB -0.704 40.182 40.800 0.144 0.000 0.948 405 D HN 0.331 nan 8.370 nan 0.000 0.472 406 H N -0.759 118.324 119.070 0.022 0.000 2.333 406 H HA -0.124 4.432 4.556 -0.000 0.000 0.302 406 H C 1.649 176.935 175.328 -0.069 0.000 1.075 406 H CA 1.044 57.039 56.048 -0.088 0.000 1.348 406 H CB 0.047 29.668 29.762 -0.235 0.000 1.393 406 H HN 0.131 nan 8.280 nan 0.000 0.509 407 Y N 0.605 120.895 120.300 -0.016 0.000 2.352 407 Y HA -0.145 4.405 4.550 0.000 0.000 0.292 407 Y C 3.063 178.952 175.900 -0.018 0.000 1.136 407 Y CA 1.006 59.068 58.100 -0.063 0.000 1.227 407 Y CB -0.308 38.170 38.460 0.030 0.000 0.991 407 Y HN 0.011 nan 8.280 nan 0.000 0.545 408 R N -1.262 119.356 120.500 0.195 0.000 2.093 408 R HA -0.028 4.312 4.340 -0.000 0.000 0.224 408 R C 2.494 178.825 176.300 0.052 0.000 1.101 408 R CA 1.018 57.195 56.100 0.130 0.000 0.979 408 R CB -1.055 29.329 30.300 0.140 0.000 0.877 408 R HN 0.316 nan 8.270 nan 0.000 0.441 409 S N 0.509 116.219 115.700 0.016 0.000 2.355 409 S HA -0.127 4.343 4.470 -0.000 0.000 0.222 409 S C 1.956 176.527 174.600 -0.048 0.000 1.031 409 S CA 1.483 59.675 58.200 -0.013 0.000 0.993 409 S CB -0.300 62.895 63.200 -0.008 0.000 0.859 409 S HN 0.423 nan 8.310 nan 0.000 0.453 410 E N 0.939 121.063 120.200 -0.127 0.000 2.274 410 E HA 0.044 4.394 4.350 -0.000 0.000 0.194 410 E C 1.076 177.645 176.600 -0.052 0.000 0.996 410 E CA 0.615 56.936 56.400 -0.132 0.000 0.840 410 E CB 0.030 29.560 29.700 -0.283 0.000 0.772 410 E HN 0.450 nan 8.360 nan 0.000 0.491 411 R N 0.000 120.490 120.500 -0.016 0.000 2.786 411 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 411 R CA 0.000 56.105 56.100 0.009 0.000 0.921 411 R CB 0.000 30.321 30.300 0.034 0.000 0.687 411 R HN 0.000 nan 8.270 nan 0.000 0.535