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 1ci8_1_B DATA FIRST_RESID 15 DATA SEQUENCE AASLAARLDA VFDQALRERR LVGAVAIVAR HGEILYRRAQ GLADREAGRP DATA SEQUENCE MREDTLFRLA SVTKPIVALA VLRLVARGEL ALDAPVTRWL PEFRPRLADG DATA SEQUENCE SEPLVTIHHL LTHTSGLGYW LLEGAGSVYD RLGISDGIDL RDFDLDENLR DATA SEQUENCE RLASAPLSFA PGSGWQYSLA LDVLGAVVER ATGQPLAAAV DALVAQPLGM DATA SEQUENCE RDCGFVSAEP ERFAVPYHDG QPEPVRMRDG IEVPLPEGHG AAVRFAPSRV DATA SEQUENCE FEPGAYPSGG AGMYGSADDV LRALEAIRAN PGFLPETLAD AARRDQAGVG DATA SEQUENCE AETRGPGWGF GYLSAVLDDP AAAGTPQHAG TLQWGGVYGH SWFVDRALGL DATA SEQUENCE SVLLLTNTAY EGMSGPLTIA LRDAVYA 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.627 177.584 0.071 0.000 1.274 15 A CA 0.000 52.071 52.037 0.057 0.000 0.836 15 A CB 0.000 19.029 19.000 0.048 0.000 0.831 16 A N 0.962 123.813 122.820 0.051 0.000 1.930 16 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 16 A C 2.333 179.948 177.584 0.052 0.000 1.176 16 A CA 2.391 54.460 52.037 0.054 0.000 0.632 16 A CB -0.737 18.285 19.000 0.038 0.000 0.819 16 A HN 1.368 nan 8.150 nan 0.000 0.445 17 S N -0.077 115.645 115.700 0.037 0.000 2.387 17 S HA -0.106 4.364 4.470 -0.000 0.000 0.226 17 S C 1.855 176.469 174.600 0.022 0.000 1.026 17 S CA 1.269 59.486 58.200 0.028 0.000 0.972 17 S CB -0.622 62.590 63.200 0.020 0.000 0.814 17 S HN 0.434 nan 8.310 nan 0.000 0.477 18 L N 2.428 123.662 121.223 0.018 0.000 2.027 18 L HA 0.210 4.550 4.340 -0.000 0.000 0.206 18 L C 2.651 179.512 176.870 -0.016 0.000 1.074 18 L CA 1.814 56.646 54.840 -0.014 0.000 0.745 18 L CB -1.344 40.703 42.059 -0.020 0.000 0.898 18 L HN 0.328 nan 8.230 nan 0.000 0.433 19 A N -0.405 122.468 122.820 0.087 0.000 1.972 19 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 19 A C 2.445 180.119 177.584 0.150 0.000 1.169 19 A CA 1.785 53.953 52.037 0.218 0.000 0.635 19 A CB -1.142 18.044 19.000 0.311 0.000 0.810 19 A HN 0.616 nan 8.150 nan 0.000 0.446 20 A N -0.018 122.856 122.820 0.089 0.000 1.877 20 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 20 A C 2.266 179.881 177.584 0.052 0.000 1.186 20 A CA 1.480 53.560 52.037 0.071 0.000 0.620 20 A CB -0.447 18.581 19.000 0.048 0.000 0.822 20 A HN 0.563 nan 8.150 nan 0.000 0.443 21 R N -0.526 119.986 120.500 0.020 0.000 2.075 21 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 21 R C 2.076 178.363 176.300 -0.021 0.000 1.126 21 R CA 1.330 57.428 56.100 -0.004 0.000 0.963 21 R CB -0.536 29.751 30.300 -0.021 0.000 0.858 21 R HN 0.485 nan 8.270 nan 0.000 0.435 22 L N 0.843 122.032 121.223 -0.057 0.000 2.056 22 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 22 L C 1.755 178.737 176.870 0.186 0.000 1.078 22 L CA 1.128 55.922 54.840 -0.077 0.000 0.749 22 L CB -0.484 41.346 42.059 -0.383 0.000 0.901 22 L HN 0.157 nan 8.230 nan 0.000 0.433 23 D N 0.321 120.870 120.400 0.248 0.000 2.144 23 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 23 D C 2.229 178.649 176.300 0.200 0.000 0.978 23 D CA 1.405 55.589 54.000 0.306 0.000 0.833 23 D CB 0.026 40.959 40.800 0.222 0.000 0.961 23 D HN 0.302 nan 8.370 nan 0.000 0.470 24 A N 0.802 123.688 122.820 0.110 0.000 1.902 24 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 24 A C 2.552 180.161 177.584 0.043 0.000 1.181 24 A CA 1.162 53.238 52.037 0.064 0.000 0.623 24 A CB -0.729 18.292 19.000 0.034 0.000 0.818 24 A HN 0.140 nan 8.150 nan 0.000 0.443 25 V N -1.283 118.627 119.914 -0.007 0.000 2.295 25 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 25 V C 2.311 178.361 176.094 -0.075 0.000 1.049 25 V CA 2.033 64.273 62.300 -0.101 0.000 1.024 25 V CB -0.972 30.700 31.823 -0.252 0.000 0.648 25 V HN 0.541 nan 8.190 nan 0.000 0.447 26 F N 0.809 120.776 119.950 0.028 0.000 2.134 26 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 26 F C 2.308 178.127 175.800 0.032 0.000 1.097 26 F CA 1.694 59.718 58.000 0.041 0.000 1.264 26 F CB -0.669 38.373 39.000 0.071 0.000 1.001 26 F HN 0.235 nan 8.300 nan 0.000 0.479 27 D N -0.486 120.042 120.400 0.213 0.000 2.144 27 D HA -0.193 4.447 4.640 -0.000 0.000 0.199 27 D C 2.184 178.532 176.300 0.080 0.000 0.984 27 D CA 0.982 55.055 54.000 0.122 0.000 0.834 27 D CB -0.568 40.286 40.800 0.090 0.000 0.955 27 D HN 0.369 nan 8.370 nan 0.000 0.465 28 Q N 0.278 120.114 119.800 0.061 0.000 2.046 28 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 28 Q C 2.079 178.098 176.000 0.032 0.000 0.975 28 Q CA 1.429 57.252 55.803 0.033 0.000 0.836 28 Q CB -0.035 28.711 28.738 0.013 0.000 0.896 28 Q HN 0.198 nan 8.270 nan 0.000 0.428 29 A N 0.580 123.422 122.820 0.037 0.000 1.933 29 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 29 A C 2.015 179.632 177.584 0.054 0.000 1.175 29 A CA 1.077 53.137 52.037 0.038 0.000 0.628 29 A CB -0.596 18.424 19.000 0.033 0.000 0.814 29 A HN 0.423 nan 8.150 nan 0.000 0.444 30 L N -0.709 120.561 121.223 0.079 0.000 2.027 30 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 30 L C 2.828 179.713 176.870 0.024 0.000 1.074 30 L CA 1.677 56.551 54.840 0.056 0.000 0.745 30 L CB -0.545 41.556 42.059 0.070 0.000 0.898 30 L HN 0.530 nan 8.230 nan 0.000 0.433 31 R N 1.231 121.748 120.500 0.028 0.000 2.073 31 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 31 R C 1.551 177.856 176.300 0.008 0.000 1.134 31 R CA 1.755 57.864 56.100 0.015 0.000 0.952 31 R CB -0.364 29.947 30.300 0.019 0.000 0.850 31 R HN 0.423 nan 8.270 nan 0.000 0.433 32 E N 0.676 120.882 120.200 0.011 0.000 2.533 32 E HA -0.066 4.284 4.350 -0.000 0.000 0.201 32 E C -0.211 176.390 176.600 0.002 0.000 1.097 32 E CA 0.083 56.487 56.400 0.007 0.000 0.887 32 E CB -0.049 29.656 29.700 0.008 0.000 0.855 32 E HN 0.281 nan 8.360 nan 0.000 0.540 33 R N -0.464 120.034 120.500 -0.003 0.000 3.627 33 R HA -0.247 4.093 4.340 -0.000 0.000 0.281 33 R C 0.802 177.095 176.300 -0.013 0.000 1.140 33 R CA 0.645 56.734 56.100 -0.017 0.000 0.761 33 R CB -1.688 28.598 30.300 -0.023 0.000 1.181 33 R HN 0.195 nan 8.270 nan 0.000 0.472 34 R N -0.368 120.134 120.500 0.002 0.000 2.254 34 R HA 0.176 4.516 4.340 -0.000 0.000 0.195 34 R C 0.236 176.547 176.300 0.018 0.000 0.957 34 R CA 0.427 56.533 56.100 0.010 0.000 1.024 34 R CB 0.313 30.622 30.300 0.015 0.000 0.952 34 R HN 0.099 nan 8.270 nan 0.000 0.484 35 L N -0.701 120.535 121.223 0.021 0.000 2.431 35 L HA 0.259 4.599 4.340 -0.000 0.000 0.266 35 L C 0.331 177.198 176.870 -0.005 0.000 0.978 35 L CA -0.350 54.516 54.840 0.042 0.000 0.822 35 L CB 2.272 44.396 42.059 0.109 0.000 1.310 35 L HN -0.272 nan 8.230 nan 0.000 0.409 36 V N 2.747 122.631 119.914 -0.050 0.000 2.426 36 V HA 0.566 4.686 4.120 -0.000 0.000 0.242 36 V C 0.968 177.023 176.094 -0.065 0.000 1.036 36 V CA 0.976 63.178 62.300 -0.164 0.000 1.044 36 V CB -0.020 31.518 31.823 -0.475 0.000 0.688 36 V HN 0.927 nan 8.190 nan 0.000 0.462 37 G N -1.496 107.324 108.800 0.032 0.000 2.703 37 G HA2 0.751 4.711 3.960 -0.000 0.000 0.294 37 G HA3 0.751 4.711 3.960 -0.000 0.000 0.294 37 G C -1.525 173.486 174.900 0.186 0.000 1.451 37 G CA 0.188 45.335 45.100 0.078 0.000 0.869 37 G HN 0.584 nan 8.290 nan 0.000 0.516 38 A N -0.412 122.501 122.820 0.156 0.000 2.602 38 A HA 0.885 5.205 4.320 -0.000 0.000 0.290 38 A C -1.675 175.975 177.584 0.110 0.000 1.114 38 A CA -0.627 51.535 52.037 0.208 0.000 0.683 38 A CB 1.806 20.967 19.000 0.268 0.000 1.281 38 A HN 1.628 nan 8.150 nan 0.000 0.416 39 V N 0.413 120.387 119.914 0.100 0.000 2.525 39 V HA 0.743 4.863 4.120 -0.000 0.000 0.299 39 V C 0.030 176.139 176.094 0.025 0.000 1.034 39 V CA 0.035 62.355 62.300 0.033 0.000 0.863 39 V CB 1.362 33.249 31.823 0.106 0.000 0.999 39 V HN 1.646 nan 8.190 nan 0.000 0.423 40 A N 6.280 129.152 122.820 0.086 0.000 2.371 40 A HA 0.969 5.289 4.320 -0.000 0.000 0.311 40 A C -1.046 176.679 177.584 0.235 0.000 1.068 40 A CA -0.515 51.652 52.037 0.217 0.000 0.744 40 A CB 1.218 20.492 19.000 0.457 0.000 1.239 40 A HN 0.746 nan 8.150 nan 0.000 0.435 41 I N 1.767 122.428 120.570 0.151 0.000 2.582 41 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 41 I C -1.041 175.125 176.117 0.082 0.000 1.066 41 I CA -0.993 60.381 61.300 0.124 0.000 1.053 41 I CB 2.375 40.384 38.000 0.016 0.000 1.241 41 I HN 0.297 nan 8.210 nan 0.000 0.421 42 V N 4.788 124.764 119.914 0.104 0.000 2.443 42 V HA 0.721 4.840 4.120 -0.000 0.000 0.293 42 V C -0.081 176.015 176.094 0.003 0.000 1.021 42 V CA -0.421 61.882 62.300 0.006 0.000 0.848 42 V CB 1.538 33.351 31.823 -0.016 0.000 0.998 42 V HN 0.831 nan 8.190 nan 0.000 0.424 43 A N 5.190 127.987 122.820 -0.038 0.000 2.350 43 A HA 0.918 5.238 4.320 -0.000 0.000 0.324 43 A C -0.397 177.156 177.584 -0.052 0.000 1.118 43 A CA -0.817 51.200 52.037 -0.032 0.000 0.783 43 A CB 1.372 20.349 19.000 -0.039 0.000 1.236 43 A HN 0.792 nan 8.150 nan 0.000 0.457 44 R N 1.431 121.914 120.500 -0.029 0.000 2.451 44 R HA 0.417 4.757 4.340 -0.000 0.000 0.307 44 R C -0.719 175.597 176.300 0.028 0.000 0.965 44 R CA -0.453 55.621 56.100 -0.044 0.000 0.865 44 R CB 0.193 30.493 30.300 -0.001 0.000 1.174 44 R HN 0.973 nan 8.270 nan 0.000 0.455 45 H N 2.862 121.928 119.070 -0.007 0.000 2.713 45 H HA -0.200 4.356 4.556 -0.000 0.000 0.311 45 H C 0.874 176.197 175.328 -0.008 0.000 1.175 45 H CA 1.609 57.654 56.048 -0.005 0.000 1.143 45 H CB -0.910 28.849 29.762 -0.004 0.000 1.434 45 H HN 1.141 nan 8.280 nan 0.000 0.418 46 G N -0.192 108.634 108.800 0.043 0.000 2.199 46 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 46 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 46 G C 0.133 175.042 174.900 0.016 0.000 0.982 46 G CA 0.547 45.660 45.100 0.022 0.000 0.632 46 G HN 0.611 nan 8.290 nan 0.000 0.529 47 E N 0.911 121.128 120.200 0.029 0.000 2.227 47 E HA 0.466 4.816 4.350 -0.000 0.000 0.282 47 E C 0.336 176.942 176.600 0.011 0.000 1.015 47 E CA -0.944 55.468 56.400 0.020 0.000 0.823 47 E CB 0.320 30.039 29.700 0.032 0.000 1.081 47 E HN 0.144 nan 8.360 nan 0.000 0.396 48 I N 6.809 127.382 120.570 0.004 0.000 2.436 48 I HA -0.030 4.140 4.170 -0.000 0.000 0.289 48 I C 1.087 177.218 176.117 0.024 0.000 1.083 48 I CA 0.450 61.754 61.300 0.006 0.000 1.372 48 I CB 0.517 38.512 38.000 -0.009 0.000 1.408 48 I HN 0.730 nan 8.210 nan 0.000 0.516 49 L N 6.732 127.982 121.223 0.046 0.000 2.408 49 L HA 0.122 4.462 4.340 -0.000 0.000 0.215 49 L C -0.053 176.906 176.870 0.149 0.000 1.081 49 L CA 0.366 55.248 54.840 0.070 0.000 0.840 49 L CB 0.026 42.116 42.059 0.052 0.000 1.002 49 L HN 0.499 nan 8.230 nan 0.000 0.468 50 Y N 0.125 120.415 120.300 -0.017 0.000 2.482 50 Y HA 0.493 5.043 4.550 -0.000 0.000 0.334 50 Y C -0.865 175.024 175.900 -0.019 0.000 1.091 50 Y CA -1.133 56.962 58.100 -0.009 0.000 1.027 50 Y CB 1.403 39.869 38.460 0.010 0.000 1.306 50 Y HN -0.107 nan 8.280 nan 0.000 0.446 51 R N 5.800 126.091 120.500 -0.349 0.000 3.039 51 R HA 0.490 4.830 4.340 -0.000 0.000 0.264 51 R C -2.011 174.024 176.300 -0.443 0.000 1.708 51 R CA -0.467 55.481 56.100 -0.253 0.000 1.134 51 R CB 0.742 30.962 30.300 -0.132 0.000 1.386 51 R HN 0.889 nan 8.270 nan 0.000 0.477 52 R N 1.836 122.024 120.500 -0.519 0.000 2.673 52 R HA 0.631 4.971 4.340 -0.000 0.000 0.281 52 R C -1.235 174.908 176.300 -0.262 0.000 0.991 52 R CA -0.645 55.183 56.100 -0.454 0.000 0.896 52 R CB 2.365 32.240 30.300 -0.709 0.000 1.201 52 R HN 0.560 nan 8.270 nan 0.000 0.457 53 A N 2.470 125.171 122.820 -0.200 0.000 2.304 53 A HA 0.485 4.805 4.320 -0.000 0.000 0.301 53 A C -0.845 176.622 177.584 -0.195 0.000 1.132 53 A CA -0.439 51.514 52.037 -0.139 0.000 0.819 53 A CB 1.059 20.009 19.000 -0.083 0.000 1.094 53 A HN 0.491 nan 8.150 nan 0.000 0.492 54 Q N 0.467 120.149 119.800 -0.198 0.000 2.347 54 Q HA 0.535 4.875 4.340 -0.000 0.000 0.271 54 Q C 0.493 176.440 176.000 -0.090 0.000 1.064 54 Q CA 0.249 55.921 55.803 -0.218 0.000 0.800 54 Q CB 1.885 30.325 28.738 -0.495 0.000 1.304 54 Q HN 1.813 nan 8.270 nan 0.000 0.438 55 G N 1.573 110.338 108.800 -0.058 0.000 2.566 55 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.280 55 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.280 55 G C -0.645 174.232 174.900 -0.038 0.000 1.225 55 G CA -0.087 44.993 45.100 -0.034 0.000 0.966 55 G HN 0.480 nan 8.290 nan 0.000 0.560 56 L N 0.212 121.408 121.223 -0.045 0.000 2.334 56 L HA 0.708 5.048 4.340 -0.000 0.000 0.273 56 L C 1.530 178.386 176.870 -0.023 0.000 1.013 56 L CA -0.335 54.477 54.840 -0.048 0.000 0.816 56 L CB 1.756 43.769 42.059 -0.076 0.000 1.278 56 L HN 0.920 nan 8.230 nan 0.000 0.431 57 A N 0.654 123.467 122.820 -0.011 0.000 1.871 57 A HA 0.010 4.330 4.320 -0.000 0.000 0.211 57 A C 0.530 178.171 177.584 0.094 0.000 1.207 57 A CA 0.911 52.950 52.037 0.002 0.000 0.620 57 A CB 0.024 18.991 19.000 -0.054 0.000 0.860 57 A HN 0.729 nan 8.150 nan 0.000 0.450 58 D N -1.138 119.307 120.400 0.074 0.000 2.440 58 D HA 0.249 4.889 4.640 -0.000 0.000 0.252 58 D C 0.835 177.189 176.300 0.089 0.000 1.180 58 D CA -0.501 53.582 54.000 0.138 0.000 0.894 58 D CB 0.939 41.781 40.800 0.070 0.000 1.111 58 D HN 0.246 nan 8.370 nan 0.000 0.544 59 R N 2.566 123.120 120.500 0.091 0.000 2.091 59 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 59 R C 0.833 177.145 176.300 0.020 0.000 1.136 59 R CA 1.661 57.740 56.100 -0.034 0.000 0.959 59 R CB 0.371 30.542 30.300 -0.215 0.000 0.856 59 R HN 0.264 nan 8.270 nan 0.000 0.437 60 E N 0.156 120.404 120.200 0.080 0.000 2.072 60 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 60 E C 1.712 178.325 176.600 0.021 0.000 0.985 60 E CA 1.538 57.966 56.400 0.047 0.000 0.801 60 E CB -0.154 29.581 29.700 0.057 0.000 0.750 60 E HN 0.481 nan 8.360 nan 0.000 0.452 61 A N -0.290 122.543 122.820 0.022 0.000 2.119 61 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 61 A C 1.725 179.307 177.584 -0.003 0.000 1.152 61 A CA 0.869 52.908 52.037 0.004 0.000 0.708 61 A CB -0.517 18.483 19.000 0.001 0.000 0.805 61 A HN 0.303 nan 8.150 nan 0.000 0.460 62 G N -0.647 108.152 108.800 -0.002 0.000 2.198 62 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 62 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 62 G C 0.194 175.084 174.900 -0.016 0.000 1.042 62 G CA 0.405 45.497 45.100 -0.013 0.000 0.791 62 G HN 0.780 nan 8.290 nan 0.000 0.502 63 R N 0.776 121.269 120.500 -0.012 0.000 2.220 63 R HA 0.469 4.809 4.340 -0.000 0.000 0.340 63 R C -2.175 174.110 176.300 -0.025 0.000 1.076 63 R CA -1.746 54.343 56.100 -0.018 0.000 0.920 63 R CB 0.633 30.924 30.300 -0.015 0.000 1.062 63 R HN 0.112 nan 8.270 nan 0.000 0.469 64 P HA -0.088 nan 4.420 nan 0.000 0.268 64 P C -0.547 176.728 177.300 -0.043 0.000 1.208 64 P CA -0.122 62.956 63.100 -0.037 0.000 0.777 64 P CB 0.545 32.222 31.700 -0.038 0.000 0.875 65 M N 3.408 122.983 119.600 -0.042 0.000 2.243 65 M HA 0.193 4.673 4.480 -0.000 0.000 0.341 65 M C -0.005 176.265 176.300 -0.049 0.000 1.130 65 M CA 0.886 56.160 55.300 -0.043 0.000 1.162 65 M CB 0.183 32.777 32.600 -0.009 0.000 1.497 65 M HN 0.183 nan 8.290 nan 0.000 0.456 66 R N 2.607 123.076 120.500 -0.053 0.000 2.854 66 R HA 0.292 4.632 4.340 -0.000 0.000 0.271 66 R C 0.391 176.673 176.300 -0.029 0.000 0.994 66 R CA -0.704 55.365 56.100 -0.052 0.000 0.945 66 R CB 0.732 30.996 30.300 -0.060 0.000 1.194 66 R HN 0.696 nan 8.270 nan 0.000 0.476 67 E N 0.716 120.892 120.200 -0.039 0.000 2.204 67 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 67 E C 0.333 176.932 176.600 -0.002 0.000 0.990 67 E CA 1.569 57.952 56.400 -0.028 0.000 0.821 67 E CB 0.055 29.720 29.700 -0.059 0.000 0.750 67 E HN 0.526 nan 8.360 nan 0.000 0.477 68 D N -1.083 119.304 120.400 -0.022 0.000 2.501 68 D HA 0.027 4.667 4.640 -0.000 0.000 0.226 68 D C -0.283 175.979 176.300 -0.063 0.000 1.198 68 D CA -0.246 53.738 54.000 -0.027 0.000 0.830 68 D CB -0.367 40.410 40.800 -0.039 0.000 1.014 68 D HN -0.244 nan 8.370 nan 0.000 0.496 69 T N 1.234 115.738 114.554 -0.083 0.000 2.940 69 T HA 0.145 4.495 4.350 -0.000 0.000 0.309 69 T C 0.651 175.155 174.700 -0.326 0.000 1.056 69 T CA -0.075 61.884 62.100 -0.235 0.000 1.137 69 T CB 0.705 69.380 68.868 -0.322 0.000 0.976 69 T HN 0.123 nan 8.240 nan 0.000 0.547 70 L N 3.006 123.909 121.223 -0.533 0.000 2.350 70 L HA 0.519 4.859 4.340 -0.000 0.000 0.275 70 L C -0.486 175.926 176.870 -0.764 0.000 1.099 70 L CA -0.442 53.993 54.840 -0.673 0.000 0.808 70 L CB 0.452 41.774 42.059 -1.228 0.000 1.149 70 L HN 0.549 nan 8.230 nan 0.000 0.442 71 F N 0.630 120.416 119.950 -0.272 0.000 2.563 71 F HA 0.478 5.005 4.527 -0.000 0.000 0.316 71 F C 0.214 176.096 175.800 0.137 0.000 1.076 71 F CA -0.859 57.127 58.000 -0.023 0.000 0.921 71 F CB 1.610 40.584 39.000 -0.044 0.000 1.209 71 F HN 0.272 nan 8.300 nan 0.000 0.462 72 R N 3.123 123.828 120.500 0.342 0.000 2.296 72 R HA 0.264 4.604 4.340 -0.000 0.000 0.323 72 R C 0.698 177.202 176.300 0.340 0.000 1.067 72 R CA -0.150 56.056 56.100 0.177 0.000 0.946 72 R CB 0.429 30.507 30.300 -0.371 0.000 0.991 72 R HN 0.743 nan 8.270 nan 0.000 0.448 73 L N 2.906 124.313 121.223 0.307 0.000 2.291 73 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 73 L C 1.480 178.649 176.870 0.498 0.000 1.120 73 L CA 0.851 55.892 54.840 0.335 0.000 0.799 73 L CB -0.693 41.441 42.059 0.125 0.000 0.925 73 L HN 0.949 nan 8.230 nan 0.000 0.446 74 A N 0.141 123.252 122.820 0.486 0.000 5.584 74 A HA -0.373 3.947 4.320 -0.000 0.000 0.303 74 A C 1.601 179.423 177.584 0.398 0.000 1.923 74 A CA 1.447 53.756 52.037 0.453 0.000 0.717 74 A CB -1.774 17.516 19.000 0.483 0.000 1.281 74 A HN 0.233 nan 8.150 nan 0.000 0.379 75 S N -0.753 115.214 115.700 0.446 0.000 2.537 75 S HA 0.065 4.535 4.470 -0.000 0.000 0.240 75 S C 1.509 176.446 174.600 0.562 0.000 0.981 75 S CA 1.138 59.668 58.200 0.550 0.000 0.948 75 S CB -0.388 63.258 63.200 0.744 0.000 0.759 75 S HN 0.940 nan 8.310 nan 0.000 0.531 76 V N 1.556 121.755 119.914 0.475 0.000 3.078 76 V HA -0.110 4.010 4.120 -0.000 0.000 0.265 76 V C 2.228 178.453 176.094 0.219 0.000 1.122 76 V CA 1.530 64.056 62.300 0.377 0.000 1.141 76 V CB -1.059 30.914 31.823 0.250 0.000 0.735 76 V HN 0.499 nan 8.190 nan 0.000 0.498 77 T N -0.480 114.207 114.554 0.221 0.000 2.867 77 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 77 T C 1.952 176.759 174.700 0.179 0.000 1.057 77 T CA 1.088 63.260 62.100 0.121 0.000 1.136 77 T CB -0.121 68.811 68.868 0.106 0.000 0.874 77 T HN 0.489 nan 8.240 nan 0.000 0.466 78 K N 0.803 121.379 120.400 0.294 0.000 2.015 78 K HA -0.131 4.189 4.320 -0.000 0.000 0.216 78 K C -0.508 176.237 176.600 0.241 0.000 1.052 78 K CA 1.785 58.259 56.287 0.311 0.000 0.937 78 K CB -1.212 31.550 32.500 0.436 0.000 0.719 78 K HN 0.343 nan 8.250 nan 0.000 0.446 79 P HA -0.155 nan 4.420 nan 0.000 0.218 79 P C 1.499 178.845 177.300 0.078 0.000 1.149 79 P CA 1.454 64.641 63.100 0.145 0.000 0.817 79 P CB -0.116 31.618 31.700 0.056 0.000 0.785 80 I N -0.603 119.995 120.570 0.046 0.000 2.163 80 I HA -0.174 3.996 4.170 -0.000 0.000 0.240 80 I C 2.568 178.733 176.117 0.081 0.000 1.081 80 I CA 1.219 62.535 61.300 0.027 0.000 1.353 80 I CB -0.788 37.198 38.000 -0.024 0.000 1.054 80 I HN -0.201 nan 8.210 nan 0.000 0.407 81 V N 1.004 120.984 119.914 0.110 0.000 2.515 81 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 81 V C 2.656 178.805 176.094 0.091 0.000 1.058 81 V CA 1.820 64.196 62.300 0.126 0.000 1.064 81 V CB -0.816 31.107 31.823 0.167 0.000 0.675 81 V HN 0.478 nan 8.190 nan 0.000 0.461 82 A N -0.370 122.513 122.820 0.105 0.000 1.930 82 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 82 A C 2.202 179.832 177.584 0.078 0.000 1.175 82 A CA 1.524 53.613 52.037 0.087 0.000 0.627 82 A CB -0.460 18.624 19.000 0.140 0.000 0.815 82 A HN 0.492 nan 8.150 nan 0.000 0.443 83 L N -0.825 120.465 121.223 0.112 0.000 2.083 83 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 83 L C 3.096 180.031 176.870 0.109 0.000 1.083 83 L CA 1.033 55.968 54.840 0.158 0.000 0.752 83 L CB -0.496 41.710 42.059 0.244 0.000 0.899 83 L HN 0.462 nan 8.230 nan 0.000 0.433 84 A N -0.455 122.416 122.820 0.084 0.000 1.902 84 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 84 A C 2.314 179.878 177.584 -0.034 0.000 1.181 84 A CA 1.677 53.736 52.037 0.037 0.000 0.623 84 A CB -0.755 18.274 19.000 0.049 0.000 0.818 84 A HN 0.195 nan 8.150 nan 0.000 0.443 85 V N 0.184 120.068 119.914 -0.049 0.000 2.295 85 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 85 V C 2.558 178.579 176.094 -0.122 0.000 1.049 85 V CA 2.072 64.301 62.300 -0.117 0.000 1.024 85 V CB -0.805 30.939 31.823 -0.132 0.000 0.648 85 V HN 0.582 nan 8.190 nan 0.000 0.447 86 L N -0.772 120.403 121.223 -0.080 0.000 2.131 86 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 86 L C 2.805 179.614 176.870 -0.103 0.000 1.092 86 L CA 1.224 56.020 54.840 -0.072 0.000 0.759 86 L CB -0.614 41.444 42.059 -0.001 0.000 0.903 86 L HN 0.223 nan 8.230 nan 0.000 0.435 87 R N 0.165 120.588 120.500 -0.129 0.000 2.092 87 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 87 R C 2.231 178.448 176.300 -0.139 0.000 1.119 87 R CA 1.180 57.163 56.100 -0.195 0.000 0.970 87 R CB -0.583 29.587 30.300 -0.218 0.000 0.864 87 R HN 0.390 nan 8.270 nan 0.000 0.440 88 L N 0.190 121.341 121.223 -0.121 0.000 2.141 88 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 88 L C 2.441 179.248 176.870 -0.105 0.000 1.094 88 L CA 0.646 55.417 54.840 -0.116 0.000 0.763 88 L CB -0.331 41.636 42.059 -0.154 0.000 0.908 88 L HN -0.065 nan 8.230 nan 0.000 0.437 89 V N 0.084 119.931 119.914 -0.111 0.000 2.307 89 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 89 V C 2.728 178.792 176.094 -0.051 0.000 1.045 89 V CA 1.796 64.047 62.300 -0.082 0.000 1.024 89 V CB -0.697 31.074 31.823 -0.087 0.000 0.651 89 V HN 0.482 nan 8.190 nan 0.000 0.449 90 A N -0.073 122.708 122.820 -0.064 0.000 2.024 90 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 90 A C 2.255 179.811 177.584 -0.047 0.000 1.164 90 A CA 1.766 53.770 52.037 -0.056 0.000 0.643 90 A CB -0.433 18.512 19.000 -0.091 0.000 0.806 90 A HN 0.568 nan 8.150 nan 0.000 0.451 91 R N -1.780 118.689 120.500 -0.051 0.000 2.300 91 R HA 0.254 4.594 4.340 -0.000 0.000 0.199 91 R C 1.291 177.584 176.300 -0.012 0.000 0.920 91 R CA 0.565 56.645 56.100 -0.034 0.000 1.046 91 R CB 0.041 30.317 30.300 -0.039 0.000 0.984 91 R HN 0.657 nan 8.270 nan 0.000 0.493 92 G N 1.071 109.867 108.800 -0.007 0.000 2.159 92 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.256 92 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.256 92 G C 0.569 175.495 174.900 0.044 0.000 0.977 92 G CA 0.365 45.477 45.100 0.020 0.000 0.652 92 G HN 0.444 nan 8.290 nan 0.000 0.531 93 E N -0.688 119.525 120.200 0.022 0.000 2.371 93 E HA 0.303 4.653 4.350 -0.000 0.000 0.194 93 E C 1.012 177.655 176.600 0.073 0.000 1.012 93 E CA 0.449 56.882 56.400 0.055 0.000 0.860 93 E CB 0.264 29.969 29.700 0.009 0.000 0.811 93 E HN 0.560 nan 8.360 nan 0.000 0.502 94 L N -0.502 120.712 121.223 -0.015 0.000 2.376 94 L HA 0.688 5.028 4.340 -0.000 0.000 0.258 94 L C -1.093 175.783 176.870 0.010 0.000 1.013 94 L CA -1.129 53.646 54.840 -0.109 0.000 0.822 94 L CB 2.144 43.990 42.059 -0.356 0.000 1.388 94 L HN -0.184 nan 8.230 nan 0.000 0.413 95 A N 0.881 123.743 122.820 0.070 0.000 2.422 95 A HA 0.572 4.892 4.320 -0.000 0.000 0.302 95 A C 0.329 177.937 177.584 0.040 0.000 1.041 95 A CA -0.533 51.547 52.037 0.072 0.000 0.708 95 A CB 1.413 20.487 19.000 0.123 0.000 1.257 95 A HN 0.767 nan 8.150 nan 0.000 0.414 96 L N 0.657 121.887 121.223 0.011 0.000 2.081 96 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 96 L C 1.748 178.636 176.870 0.031 0.000 1.080 96 L CA 1.930 56.774 54.840 0.007 0.000 0.754 96 L CB -0.206 41.887 42.059 0.057 0.000 0.893 96 L HN 0.930 nan 8.230 nan 0.000 0.433 97 D N -0.477 119.940 120.400 0.029 0.000 2.340 97 D HA 0.079 4.719 4.640 -0.000 0.000 0.217 97 D C 0.689 177.019 176.300 0.050 0.000 1.081 97 D CA 0.005 54.011 54.000 0.009 0.000 0.842 97 D CB 0.004 40.800 40.800 -0.006 0.000 0.934 97 D HN 0.115 nan 8.370 nan 0.000 0.511 98 A N 1.859 124.747 122.820 0.112 0.000 2.401 98 A HA 0.470 4.790 4.320 -0.000 0.000 0.259 98 A C -2.285 175.418 177.584 0.198 0.000 1.103 98 A CA -1.222 50.920 52.037 0.175 0.000 0.789 98 A CB 0.186 19.399 19.000 0.355 0.000 1.035 98 A HN 0.054 nan 8.150 nan 0.000 0.491 99 P HA 0.005 nan 4.420 nan 0.000 0.271 99 P C 0.960 178.383 177.300 0.205 0.000 1.216 99 P CA -0.048 63.129 63.100 0.127 0.000 0.771 99 P CB 1.198 32.929 31.700 0.051 0.000 0.864 100 V N 3.488 123.546 119.914 0.239 0.000 2.720 100 V HA -0.208 3.912 4.120 -0.000 0.000 0.256 100 V C 2.193 178.445 176.094 0.263 0.000 1.082 100 V CA 2.948 65.432 62.300 0.306 0.000 1.101 100 V CB -1.448 30.511 31.823 0.227 0.000 0.693 100 V HN 0.744 nan 8.190 nan 0.000 0.479 101 T N -2.421 112.220 114.554 0.144 0.000 2.977 101 T HA -0.188 4.162 4.350 -0.000 0.000 0.271 101 T C 1.884 176.547 174.700 -0.061 0.000 1.105 101 T CA 1.148 63.287 62.100 0.065 0.000 1.116 101 T CB -0.555 68.333 68.868 0.033 0.000 0.878 101 T HN 0.542 nan 8.240 nan 0.000 0.509 102 R N -0.404 119.963 120.500 -0.221 0.000 2.152 102 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 102 R C 1.939 177.833 176.300 -0.678 0.000 1.117 102 R CA 1.477 57.214 56.100 -0.604 0.000 0.981 102 R CB -0.092 29.489 30.300 -1.198 0.000 0.870 102 R HN 0.556 nan 8.270 nan 0.000 0.451 103 W N -0.438 120.862 121.300 -0.001 0.000 2.792 103 W HA 0.253 4.913 4.660 -0.000 0.000 0.262 103 W C 0.237 176.751 176.519 -0.008 0.000 1.212 103 W CA -0.076 57.262 57.345 -0.012 0.000 1.433 103 W CB 0.361 29.805 29.460 -0.026 0.000 1.004 103 W HN -0.106 nan 8.180 nan 0.000 0.608 104 L N 1.532 122.873 121.223 0.196 0.000 2.445 104 L HA 0.245 4.585 4.340 -0.000 0.000 0.252 104 L C -1.720 175.222 176.870 0.119 0.000 1.105 104 L CA -1.553 53.372 54.840 0.141 0.000 0.943 104 L CB 1.283 43.428 42.059 0.144 0.000 1.277 104 L HN -0.401 nan 8.230 nan 0.000 0.465 105 P HA -0.186 nan 4.420 nan 0.000 0.217 105 P C 0.796 178.116 177.300 0.032 0.000 1.148 105 P CA 1.416 64.528 63.100 0.021 0.000 0.828 105 P CB 0.345 32.043 31.700 -0.003 0.000 0.783 106 E N -2.650 117.582 120.200 0.054 0.000 2.472 106 E HA 0.055 4.405 4.350 -0.000 0.000 0.196 106 E C 0.121 176.750 176.600 0.048 0.000 1.033 106 E CA -0.334 56.086 56.400 0.034 0.000 0.886 106 E CB -0.164 29.548 29.700 0.020 0.000 0.944 106 E HN 0.182 nan 8.360 nan 0.000 0.492 107 F N 2.689 122.626 119.950 -0.021 0.000 2.619 107 F HA 0.151 4.678 4.527 -0.000 0.000 0.350 107 F C -0.014 175.772 175.800 -0.022 0.000 1.259 107 F CA -0.158 57.826 58.000 -0.026 0.000 1.204 107 F CB -0.071 38.920 39.000 -0.014 0.000 1.556 107 F HN -0.292 nan 8.300 nan 0.000 0.650 108 R N 5.492 125.808 120.500 -0.306 0.000 2.868 108 R HA 0.245 4.585 4.340 -0.000 0.000 0.289 108 R C -2.533 173.580 176.300 -0.312 0.000 1.443 108 R CA -1.693 54.271 56.100 -0.226 0.000 1.651 108 R CB 0.126 30.358 30.300 -0.114 0.000 1.242 108 R HN 0.313 nan 8.270 nan 0.000 0.621 109 P HA 0.032 nan 4.420 nan 0.000 0.269 109 P C -0.495 176.683 177.300 -0.203 0.000 1.209 109 P CA -0.008 62.873 63.100 -0.365 0.000 0.776 109 P CB 1.023 32.483 31.700 -0.399 0.000 0.876 110 R N 1.067 121.471 120.500 -0.160 0.000 2.720 110 R HA 0.567 4.907 4.340 -0.000 0.000 0.272 110 R C 0.355 176.599 176.300 -0.093 0.000 0.991 110 R CA -1.126 54.909 56.100 -0.108 0.000 1.010 110 R CB 0.885 31.131 30.300 -0.090 0.000 1.141 110 R HN 0.408 nan 8.270 nan 0.000 0.494 111 L N 0.643 121.825 121.223 -0.069 0.000 2.479 111 L HA 0.201 4.541 4.340 -0.000 0.000 0.248 111 L C 1.569 178.413 176.870 -0.043 0.000 1.205 111 L CA -0.004 54.803 54.840 -0.055 0.000 0.817 111 L CB 0.528 42.566 42.059 -0.034 0.000 1.162 111 L HN 0.826 nan 8.230 nan 0.000 0.486 112 A N 0.466 123.268 122.820 -0.030 0.000 2.019 112 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 112 A C 1.496 179.069 177.584 -0.018 0.000 1.164 112 A CA 1.658 53.683 52.037 -0.021 0.000 0.644 112 A CB -0.664 18.331 19.000 -0.010 0.000 0.805 112 A HN 0.912 nan 8.150 nan 0.000 0.449 113 D N -2.255 118.136 120.400 -0.015 0.000 2.336 113 D HA 0.275 4.915 4.640 -0.000 0.000 0.229 113 D C 1.168 177.457 176.300 -0.019 0.000 1.061 113 D CA 0.938 54.930 54.000 -0.013 0.000 0.875 113 D CB -0.534 40.262 40.800 -0.007 0.000 0.904 113 D HN 0.722 nan 8.370 nan 0.000 0.525 114 G N 0.031 108.814 108.800 -0.027 0.000 2.217 114 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.246 114 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.246 114 G C 0.439 175.317 174.900 -0.035 0.000 0.990 114 G CA 0.416 45.496 45.100 -0.033 0.000 0.627 114 G HN 0.870 nan 8.290 nan 0.000 0.522 115 S N -0.283 115.400 115.700 -0.030 0.000 2.601 115 S HA 0.582 5.052 4.470 -0.000 0.000 0.271 115 S C -0.031 174.547 174.600 -0.036 0.000 1.305 115 S CA 0.199 58.382 58.200 -0.028 0.000 1.022 115 S CB 2.150 65.340 63.200 -0.017 0.000 0.940 115 S HN 0.545 nan 8.310 nan 0.000 0.525 116 E N 2.512 122.692 120.200 -0.034 0.000 2.055 116 E HA 0.383 4.733 4.350 -0.000 0.000 0.274 116 E C -2.116 174.471 176.600 -0.022 0.000 0.949 116 E CA -1.969 54.408 56.400 -0.039 0.000 0.775 116 E CB 0.605 30.279 29.700 -0.043 0.000 1.097 116 E HN 0.629 nan 8.360 nan 0.000 0.404 117 P HA 0.177 nan 4.420 nan 0.000 0.280 117 P C -0.817 176.499 177.300 0.027 0.000 1.272 117 P CA -0.788 62.313 63.100 0.002 0.000 0.819 117 P CB 0.938 32.631 31.700 -0.012 0.000 1.122 118 L N 1.193 122.455 121.223 0.064 0.000 2.367 118 L HA 0.288 4.628 4.340 -0.000 0.000 0.275 118 L C -0.786 176.196 176.870 0.187 0.000 1.129 118 L CA -0.102 54.804 54.840 0.111 0.000 0.839 118 L CB 0.495 42.629 42.059 0.125 0.000 1.133 118 L HN 0.061 nan 8.230 nan 0.000 0.453 119 V N 4.865 124.904 119.914 0.208 0.000 2.376 119 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 119 V C 0.344 176.611 176.094 0.287 0.000 1.015 119 V CA -0.194 62.296 62.300 0.316 0.000 0.834 119 V CB 1.340 33.293 31.823 0.216 0.000 1.001 119 V HN 0.978 nan 8.190 nan 0.000 0.428 120 T N 2.211 116.940 114.554 0.291 0.000 2.881 120 T HA 0.446 4.796 4.350 -0.000 0.000 0.278 120 T C 1.244 175.987 174.700 0.072 0.000 0.982 120 T CA -0.693 61.458 62.100 0.085 0.000 0.989 120 T CB 1.127 69.933 68.868 -0.103 0.000 1.058 120 T HN 0.177 nan 8.240 nan 0.000 0.529 121 I N 0.544 121.140 120.570 0.042 0.000 2.361 121 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 121 I C 2.316 178.388 176.117 -0.075 0.000 1.133 121 I CA 1.665 62.941 61.300 -0.041 0.000 1.413 121 I CB -1.807 36.133 38.000 -0.100 0.000 1.073 121 I HN 0.909 nan 8.210 nan 0.000 0.424 122 H N 0.558 119.546 119.070 -0.136 0.000 2.321 122 H HA -0.180 4.375 4.556 -0.000 0.000 0.300 122 H C 2.380 177.730 175.328 0.037 0.000 1.087 122 H CA 2.274 58.268 56.048 -0.089 0.000 1.319 122 H CB -0.213 29.511 29.762 -0.064 0.000 1.379 122 H HN 0.429 nan 8.280 nan 0.000 0.501 123 H N -0.643 118.520 119.070 0.154 0.000 2.387 123 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 123 H C 2.307 177.609 175.328 -0.043 0.000 1.099 123 H CA 1.147 57.254 56.048 0.098 0.000 1.315 123 H CB 0.129 29.966 29.762 0.125 0.000 1.380 123 H HN 0.293 nan 8.280 nan 0.000 0.513 124 L N 0.006 121.249 121.223 0.034 0.000 2.023 124 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 124 L C 2.249 178.967 176.870 -0.254 0.000 1.073 124 L CA 0.832 55.599 54.840 -0.122 0.000 0.745 124 L CB -0.372 41.623 42.059 -0.106 0.000 0.900 124 L HN 0.248 nan 8.230 nan 0.000 0.435 125 L N -0.205 120.901 121.223 -0.195 0.000 2.127 125 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 125 L C 2.541 179.426 176.870 0.026 0.000 1.089 125 L CA 1.819 56.578 54.840 -0.134 0.000 0.757 125 L CB -0.741 41.176 42.059 -0.236 0.000 0.899 125 L HN 0.489 nan 8.230 nan 0.000 0.434 126 T N -5.724 108.844 114.554 0.024 0.000 3.081 126 T HA -0.019 4.331 4.350 -0.000 0.000 0.250 126 T C 0.663 175.413 174.700 0.084 0.000 1.100 126 T CA -0.146 62.081 62.100 0.213 0.000 1.038 126 T CB -0.103 68.876 68.868 0.184 0.000 0.962 126 T HN 0.356 nan 8.240 nan 0.000 0.516 127 H N 0.999 120.002 119.070 -0.111 0.000 2.903 127 H HA -0.131 4.425 4.556 -0.000 0.000 0.285 127 H C 0.801 175.948 175.328 -0.301 0.000 1.231 127 H CA 1.264 57.098 56.048 -0.356 0.000 1.135 127 H CB -2.252 27.053 29.762 -0.761 0.000 1.328 127 H HN 0.736 nan 8.280 nan 0.000 0.388 128 T N -3.669 110.919 114.554 0.056 0.000 3.134 128 T HA 0.147 4.497 4.350 -0.000 0.000 0.260 128 T C 1.794 176.609 174.700 0.192 0.000 1.027 128 T CA 0.425 62.665 62.100 0.234 0.000 0.913 128 T CB 0.239 69.305 68.868 0.331 0.000 1.046 128 T HN 0.353 nan 8.240 nan 0.000 0.553 129 S N 1.052 116.769 115.700 0.028 0.000 2.428 129 S HA 0.327 4.797 4.470 -0.000 0.000 0.230 129 S C 2.098 176.541 174.600 -0.263 0.000 1.014 129 S CA 0.915 59.066 58.200 -0.081 0.000 0.957 129 S CB -0.733 62.456 63.200 -0.018 0.000 0.784 129 S HN 1.318 nan 8.310 nan 0.000 0.499 130 G N 0.346 108.846 108.800 -0.500 0.000 2.211 130 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.201 130 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.201 130 G C -0.016 174.511 174.900 -0.622 0.000 0.997 130 G CA -0.030 44.394 45.100 -1.126 0.000 0.652 130 G HN 0.488 nan 8.290 nan 0.000 0.500 131 L N 0.479 121.513 121.223 -0.316 0.000 2.476 131 L HA 0.613 4.953 4.340 -0.000 0.000 0.255 131 L C 1.417 178.172 176.870 -0.192 0.000 1.218 131 L CA 0.493 55.248 54.840 -0.142 0.000 0.819 131 L CB 0.746 42.776 42.059 -0.048 0.000 1.119 131 L HN 0.330 nan 8.230 nan 0.000 0.485 132 G N -1.249 107.482 108.800 -0.115 0.000 3.183 132 G HA2 0.531 4.491 3.960 -0.000 0.000 0.247 132 G HA3 0.531 4.491 3.960 -0.000 0.000 0.247 132 G C -2.121 172.645 174.900 -0.224 0.000 1.211 132 G CA -0.186 44.755 45.100 -0.264 0.000 0.835 132 G HN 0.290 nan 8.290 nan 0.000 0.604 133 Y N -1.952 118.192 120.300 -0.259 0.000 2.562 133 Y HA 0.365 4.915 4.550 -0.000 0.000 0.345 133 Y C 0.316 176.190 175.900 -0.043 0.000 1.045 133 Y CA -1.381 56.712 58.100 -0.012 0.000 1.028 133 Y CB 2.018 40.449 38.460 -0.048 0.000 1.297 133 Y HN 0.709 nan 8.280 nan 0.000 0.463 134 W N 3.075 124.578 121.300 0.339 0.000 2.338 134 W HA -0.212 4.448 4.660 -0.000 0.000 0.304 134 W C 1.697 178.248 176.519 0.053 0.000 1.212 134 W CA 2.488 59.964 57.345 0.218 0.000 1.264 134 W CB -0.026 29.579 29.460 0.241 0.000 1.142 134 W HN 0.600 nan 8.180 nan 0.000 0.512 135 L N -0.205 121.228 121.223 0.350 0.000 2.261 135 L HA -0.143 4.197 4.340 -0.000 0.000 0.216 135 L C 2.005 178.820 176.870 -0.091 0.000 1.114 135 L CA 1.814 56.729 54.840 0.125 0.000 0.777 135 L CB -1.522 40.598 42.059 0.100 0.000 0.910 135 L HN 0.136 nan 8.230 nan 0.000 0.440 136 L N -0.710 120.456 121.223 -0.095 0.000 2.083 136 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 136 L C 2.359 179.112 176.870 -0.196 0.000 1.083 136 L CA 1.634 56.405 54.840 -0.116 0.000 0.752 136 L CB -0.340 41.644 42.059 -0.125 0.000 0.899 136 L HN 0.375 nan 8.230 nan 0.000 0.433 137 E N -1.777 118.226 120.200 -0.327 0.000 2.474 137 E HA 0.224 4.574 4.350 -0.000 0.000 0.215 137 E C 0.841 177.131 176.600 -0.517 0.000 0.867 137 E CA 0.432 56.626 56.400 -0.344 0.000 1.135 137 E CB 0.941 30.469 29.700 -0.286 0.000 1.147 137 E HN 0.360 nan 8.360 nan 0.000 0.534 138 G N 1.483 109.687 108.800 -0.993 0.000 2.562 138 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.250 138 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.250 138 G C 0.215 174.539 174.900 -0.959 0.000 1.269 138 G CA -0.528 43.636 45.100 -1.560 0.000 0.919 138 G HN 0.584 nan 8.290 nan 0.000 0.574 139 A N -0.191 122.432 122.820 -0.329 0.000 2.565 139 A HA 0.569 4.889 4.320 -0.000 0.000 0.237 139 A C 2.217 179.781 177.584 -0.034 0.000 1.053 139 A CA 2.487 54.551 52.037 0.045 0.000 0.755 139 A CB -0.490 18.606 19.000 0.161 0.000 0.980 139 A HN 2.962 nan 8.150 nan 0.000 0.506 140 G N 1.325 110.144 108.800 0.032 0.000 2.225 140 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 140 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 140 G C 0.767 175.657 174.900 -0.017 0.000 0.988 140 G CA 1.023 46.129 45.100 0.010 0.000 0.625 140 G HN 2.165 nan 8.290 nan 0.000 0.527 141 S N -0.440 115.218 115.700 -0.069 0.000 2.626 141 S HA 0.592 5.062 4.470 -0.000 0.000 0.257 141 S C 1.586 176.201 174.600 0.025 0.000 1.288 141 S CA 0.145 58.302 58.200 -0.072 0.000 0.980 141 S CB 1.644 64.727 63.200 -0.196 0.000 0.975 141 S HN 0.755 nan 8.310 nan 0.000 0.577 142 V N 0.520 120.468 119.914 0.056 0.000 2.261 142 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 142 V C 2.190 178.418 176.094 0.224 0.000 1.047 142 V CA 1.901 64.276 62.300 0.125 0.000 1.015 142 V CB -1.257 30.651 31.823 0.141 0.000 0.642 142 V HN 0.848 nan 8.190 nan 0.000 0.446 143 Y N 0.505 120.821 120.300 0.026 0.000 2.165 143 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 143 Y C 2.429 178.488 175.900 0.265 0.000 1.155 143 Y CA 1.713 59.890 58.100 0.128 0.000 1.164 143 Y CB -0.799 37.753 38.460 0.152 0.000 0.978 143 Y HN 0.396 nan 8.280 nan 0.000 0.513 144 D N -0.388 120.246 120.400 0.390 0.000 2.144 144 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 144 D C 2.095 178.560 176.300 0.275 0.000 0.984 144 D CA 1.243 55.536 54.000 0.489 0.000 0.834 144 D CB 0.010 41.041 40.800 0.384 0.000 0.955 144 D HN 0.195 nan 8.370 nan 0.000 0.465 145 R N -0.475 120.127 120.500 0.170 0.000 2.090 145 R HA 0.049 4.389 4.340 -0.000 0.000 0.228 145 R C 2.223 178.563 176.300 0.066 0.000 1.110 145 R CA 0.641 56.801 56.100 0.101 0.000 0.973 145 R CB -0.178 30.161 30.300 0.066 0.000 0.869 145 R HN 0.296 nan 8.270 nan 0.000 0.440 146 L N -0.137 121.119 121.223 0.055 0.000 2.554 146 L HA 0.139 4.479 4.340 -0.000 0.000 0.226 146 L C 0.964 177.817 176.870 -0.027 0.000 1.137 146 L CA 0.402 55.231 54.840 -0.018 0.000 0.863 146 L CB -0.083 41.927 42.059 -0.082 0.000 0.985 146 L HN 0.429 nan 8.230 nan 0.000 0.451 147 G N 1.346 110.179 108.800 0.055 0.000 2.198 147 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 147 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 147 G C 0.118 175.058 174.900 0.066 0.000 1.042 147 G CA -0.189 44.950 45.100 0.064 0.000 0.791 147 G HN 0.319 nan 8.290 nan 0.000 0.502 148 I N 1.235 121.859 120.570 0.089 0.000 2.416 148 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 148 I C 1.007 177.252 176.117 0.213 0.000 1.051 148 I CA 0.028 61.378 61.300 0.083 0.000 1.375 148 I CB 1.449 39.364 38.000 -0.141 0.000 1.407 148 I HN 0.216 nan 8.210 nan 0.000 0.516 149 S N 3.927 119.785 115.700 0.263 0.000 2.585 149 S HA 0.201 4.671 4.470 -0.000 0.000 0.277 149 S C 0.516 175.286 174.600 0.284 0.000 1.241 149 S CA -0.689 57.651 58.200 0.232 0.000 1.041 149 S CB 0.982 64.371 63.200 0.315 0.000 0.987 149 S HN 0.557 nan 8.310 nan 0.000 0.512 150 D N 2.458 122.981 120.400 0.205 0.000 2.339 150 D HA 0.218 4.858 4.640 -0.000 0.000 0.217 150 D C 1.460 177.894 176.300 0.223 0.000 1.050 150 D CA 1.011 55.183 54.000 0.286 0.000 0.856 150 D CB 0.106 40.975 40.800 0.115 0.000 0.922 150 D HN 0.910 nan 8.370 nan 0.000 0.518 151 G N 0.773 109.671 108.800 0.163 0.000 2.199 151 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 151 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 151 G C 1.030 175.912 174.900 -0.030 0.000 0.982 151 G CA 0.144 45.295 45.100 0.086 0.000 0.632 151 G HN 0.334 nan 8.290 nan 0.000 0.529 152 I N 1.834 122.356 120.570 -0.079 0.000 3.228 152 I HA 0.164 4.334 4.170 -0.000 0.000 0.279 152 I C 1.312 177.356 176.117 -0.122 0.000 1.221 152 I CA 1.136 62.367 61.300 -0.114 0.000 1.458 152 I CB -0.702 37.103 38.000 -0.324 0.000 1.105 152 I HN 0.468 nan 8.210 nan 0.000 0.445 153 D N 1.106 121.406 120.400 -0.166 0.000 2.466 153 D HA 0.313 4.953 4.640 -0.000 0.000 0.262 153 D C -0.274 175.928 176.300 -0.164 0.000 1.177 153 D CA -0.564 53.346 54.000 -0.152 0.000 1.035 153 D CB 1.239 41.924 40.800 -0.192 0.000 1.105 153 D HN -0.182 nan 8.370 nan 0.000 0.551 154 L N 0.044 121.176 121.223 -0.152 0.000 2.294 154 L HA 0.429 4.769 4.340 -0.000 0.000 0.283 154 L C -1.004 175.738 176.870 -0.215 0.000 1.015 154 L CA -0.483 54.247 54.840 -0.182 0.000 0.831 154 L CB 0.595 42.584 42.059 -0.117 0.000 1.217 154 L HN 0.300 nan 8.230 nan 0.000 0.420 155 R N 2.342 122.637 120.500 -0.342 0.000 2.778 155 R HA 0.347 4.687 4.340 -0.000 0.000 0.277 155 R C -0.785 175.239 176.300 -0.459 0.000 0.977 155 R CA -0.829 54.981 56.100 -0.483 0.000 0.950 155 R CB 1.262 30.965 30.300 -0.995 0.000 1.165 155 R HN 0.473 nan 8.270 nan 0.000 0.474 156 D N 2.394 122.639 120.400 -0.259 0.000 2.845 156 D HA 0.206 4.846 4.640 -0.000 0.000 0.235 156 D C -0.998 175.359 176.300 0.096 0.000 1.158 156 D CA -0.045 53.914 54.000 -0.068 0.000 0.990 156 D CB -0.686 40.130 40.800 0.027 0.000 1.094 156 D HN 0.326 nan 8.370 nan 0.000 0.486 157 F N -1.166 118.845 119.950 0.101 0.000 2.770 157 F HA 0.385 4.912 4.527 -0.000 0.000 0.313 157 F C -0.779 175.114 175.800 0.155 0.000 1.154 157 F CA -1.493 56.559 58.000 0.086 0.000 0.923 157 F CB 0.228 39.254 39.000 0.043 0.000 1.301 157 F HN -0.163 nan 8.300 nan 0.000 0.449 158 D N 0.914 121.527 120.400 0.354 0.000 2.506 158 D HA 0.223 4.863 4.640 -0.000 0.000 0.272 158 D C 1.032 177.295 176.300 -0.061 0.000 1.214 158 D CA -0.691 53.437 54.000 0.214 0.000 1.067 158 D CB 0.580 41.456 40.800 0.127 0.000 1.117 158 D HN 0.721 nan 8.370 nan 0.000 0.578 159 L N -0.304 120.795 121.223 -0.207 0.000 2.017 159 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 159 L C 1.277 178.003 176.870 -0.240 0.000 1.073 159 L CA 1.845 56.413 54.840 -0.453 0.000 0.745 159 L CB -0.350 41.614 42.059 -0.158 0.000 0.894 159 L HN 0.392 nan 8.230 nan 0.000 0.432 160 D N -0.455 119.883 120.400 -0.104 0.000 2.149 160 D HA -0.248 4.392 4.640 -0.000 0.000 0.198 160 D C 1.924 178.180 176.300 -0.073 0.000 0.990 160 D CA 1.331 55.294 54.000 -0.063 0.000 0.839 160 D CB 0.098 40.884 40.800 -0.025 0.000 0.948 160 D HN 0.386 nan 8.370 nan 0.000 0.460 161 E N 1.358 121.512 120.200 -0.076 0.000 2.047 161 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 161 E C 1.737 178.194 176.600 -0.239 0.000 0.987 161 E CA 1.149 57.461 56.400 -0.147 0.000 0.799 161 E CB -0.354 29.256 29.700 -0.151 0.000 0.752 161 E HN 0.054 nan 8.360 nan 0.000 0.449 162 N N -0.353 118.233 118.700 -0.190 0.000 2.120 162 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 162 N C 1.707 177.153 175.510 -0.106 0.000 1.024 162 N CA 1.348 54.309 53.050 -0.149 0.000 0.852 162 N CB -0.171 38.276 38.487 -0.067 0.000 1.003 162 N HN 0.228 nan 8.380 nan 0.000 0.424 163 L N -0.306 120.871 121.223 -0.076 0.000 2.141 163 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 163 L C 2.515 179.464 176.870 0.132 0.000 1.094 163 L CA 0.877 55.762 54.840 0.075 0.000 0.763 163 L CB -0.346 41.732 42.059 0.032 0.000 0.908 163 L HN 0.245 nan 8.230 nan 0.000 0.437 164 R N 0.061 120.560 120.500 -0.002 0.000 2.075 164 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 164 R C 2.502 178.734 176.300 -0.113 0.000 1.126 164 R CA 1.223 57.293 56.100 -0.051 0.000 0.963 164 R CB -0.019 30.234 30.300 -0.079 0.000 0.858 164 R HN 0.297 nan 8.270 nan 0.000 0.435 165 R N 0.048 120.455 120.500 -0.155 0.000 2.096 165 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 165 R C 2.248 178.424 176.300 -0.206 0.000 1.127 165 R CA 1.099 57.084 56.100 -0.191 0.000 0.968 165 R CB -0.396 29.760 30.300 -0.239 0.000 0.861 165 R HN 0.143 nan 8.270 nan 0.000 0.440 166 L N 0.780 121.906 121.223 -0.161 0.000 2.027 166 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 166 L C 2.217 178.962 176.870 -0.209 0.000 1.074 166 L CA 1.879 56.607 54.840 -0.187 0.000 0.745 166 L CB -0.645 41.432 42.059 0.031 0.000 0.898 166 L HN 0.111 nan 8.230 nan 0.000 0.433 167 A N -0.988 121.688 122.820 -0.240 0.000 2.076 167 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 167 A C 2.336 179.720 177.584 -0.335 0.000 1.160 167 A CA 1.686 53.404 52.037 -0.531 0.000 0.653 167 A CB -0.975 17.677 19.000 -0.581 0.000 0.801 167 A HN 0.670 nan 8.150 nan 0.000 0.455 168 S N -0.999 114.562 115.700 -0.232 0.000 2.593 168 S HA 0.532 5.002 4.470 -0.000 0.000 0.217 168 S C 0.754 175.266 174.600 -0.147 0.000 0.966 168 S CA 0.284 58.380 58.200 -0.173 0.000 0.914 168 S CB -0.415 62.701 63.200 -0.141 0.000 0.776 168 S HN 0.820 nan 8.310 nan 0.000 0.523 169 A N 3.215 125.933 122.820 -0.169 0.000 2.310 169 A HA 0.707 5.027 4.320 -0.000 0.000 0.299 169 A C -2.392 175.154 177.584 -0.064 0.000 1.147 169 A CA -2.018 49.962 52.037 -0.096 0.000 0.818 169 A CB 0.366 19.287 19.000 -0.132 0.000 1.096 169 A HN 0.361 nan 8.150 nan 0.000 0.495 170 P HA 0.275 nan 4.420 nan 0.000 0.274 170 P C -0.471 176.798 177.300 -0.053 0.000 1.231 170 P CA -0.200 62.870 63.100 -0.049 0.000 0.790 170 P CB 0.640 32.319 31.700 -0.035 0.000 0.951 171 L N 1.431 122.589 121.223 -0.107 0.000 2.467 171 L HA 0.014 4.354 4.340 -0.000 0.000 0.270 171 L C 1.911 178.663 176.870 -0.197 0.000 1.205 171 L CA 0.104 54.835 54.840 -0.183 0.000 0.828 171 L CB -0.089 41.838 42.059 -0.219 0.000 1.101 171 L HN 0.420 nan 8.230 nan 0.000 0.479 172 S N 1.280 116.780 115.700 -0.333 0.000 2.436 172 S HA 0.102 4.572 4.470 -0.000 0.000 0.228 172 S C -0.197 174.374 174.600 -0.048 0.000 1.014 172 S CA 0.602 58.681 58.200 -0.201 0.000 0.950 172 S CB -0.087 63.001 63.200 -0.186 0.000 0.784 172 S HN 0.518 nan 8.310 nan 0.000 0.504 173 F N -1.684 118.244 119.950 -0.035 0.000 2.773 173 F HA 0.768 5.295 4.527 -0.000 0.000 0.314 173 F C -0.732 175.041 175.800 -0.045 0.000 1.160 173 F CA -2.227 55.755 58.000 -0.031 0.000 0.920 173 F CB 0.451 39.438 39.000 -0.021 0.000 1.323 173 F HN -0.158 nan 8.300 nan 0.000 0.457 174 A N 1.396 124.354 122.820 0.229 0.000 2.462 174 A HA 0.590 4.910 4.320 -0.000 0.000 0.243 174 A C -2.634 175.027 177.584 0.128 0.000 1.076 174 A CA -1.404 50.694 52.037 0.102 0.000 0.773 174 A CB -0.716 18.332 19.000 0.080 0.000 1.010 174 A HN 0.537 nan 8.150 nan 0.000 0.493 175 P HA 0.154 nan 4.420 nan 0.000 0.260 175 P C 1.098 178.230 177.300 -0.281 0.000 1.172 175 P CA 2.247 65.133 63.100 -0.357 0.000 0.760 175 P CB 0.477 31.783 31.700 -0.657 0.000 0.773 176 G N 2.833 111.594 108.800 -0.065 0.000 2.199 176 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 176 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 176 G C 1.034 176.019 174.900 0.141 0.000 0.982 176 G CA 0.490 45.694 45.100 0.173 0.000 0.632 176 G HN 0.609 nan 8.290 nan 0.000 0.529 177 S N -0.250 115.518 115.700 0.112 0.000 2.575 177 S HA 0.602 5.072 4.470 -0.000 0.000 0.215 177 S C 1.088 175.544 174.600 -0.240 0.000 0.966 177 S CA 0.956 59.156 58.200 0.001 0.000 0.911 177 S CB 0.808 64.035 63.200 0.045 0.000 0.780 177 S HN 2.025 nan 8.310 nan 0.000 0.514 178 G N -0.245 108.298 108.800 -0.428 0.000 2.554 178 G HA2 0.463 4.423 3.960 -0.000 0.000 0.306 178 G HA3 0.463 4.423 3.960 -0.000 0.000 0.306 178 G C -2.513 172.201 174.900 -0.310 0.000 1.320 178 G CA -0.962 43.680 45.100 -0.763 0.000 0.800 178 G HN 0.316 nan 8.290 nan 0.000 0.481 179 W N 0.432 121.545 121.300 -0.312 0.000 2.883 179 W HA 0.756 5.416 4.660 -0.000 0.000 0.335 179 W C -0.667 175.947 176.519 0.158 0.000 1.083 179 W CA -0.643 56.726 57.345 0.040 0.000 1.233 179 W CB 2.079 31.543 29.460 0.008 0.000 1.412 179 W HN 0.693 nan 8.180 nan 0.000 0.490 180 Q N 5.151 124.554 119.800 -0.662 0.000 2.313 180 Q HA 0.162 4.502 4.340 -0.000 0.000 0.260 180 Q C -1.786 173.675 176.000 -0.897 0.000 0.972 180 Q CA -0.848 54.624 55.803 -0.551 0.000 0.886 180 Q CB 1.394 30.132 28.738 0.000 0.000 1.373 180 Q HN 0.493 nan 8.270 nan 0.000 0.416 181 Y N 2.828 122.553 120.300 -0.959 0.000 2.610 181 Y HA 0.353 4.903 4.550 -0.000 0.000 0.332 181 Y C -0.263 175.468 175.900 -0.282 0.000 1.201 181 Y CA 0.951 58.663 58.100 -0.648 0.000 1.465 181 Y CB 0.542 38.959 38.460 -0.073 0.000 1.283 181 Y HN 0.723 nan 8.280 nan 0.000 0.563 182 S N 3.777 119.181 115.700 -0.492 0.000 2.819 182 S HA 0.447 4.917 4.470 -0.000 0.000 0.299 182 S C -0.412 173.521 174.600 -1.111 0.000 1.192 182 S CA -0.970 56.788 58.200 -0.736 0.000 0.847 182 S CB 0.860 63.894 63.200 -0.276 0.000 1.224 182 S HN 0.549 nan 8.310 nan 0.000 0.537 183 L N 1.209 121.933 121.223 -0.832 0.000 2.653 183 L HA 0.334 4.674 4.340 -0.000 0.000 0.232 183 L C 2.330 179.074 176.870 -0.210 0.000 1.169 183 L CA 0.357 54.914 54.840 -0.471 0.000 0.951 183 L CB -0.591 41.332 42.059 -0.226 0.000 1.181 183 L HN 0.905 nan 8.230 nan 0.000 0.460 184 A N 0.154 122.852 122.820 -0.204 0.000 1.940 184 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 184 A C 2.077 179.561 177.584 -0.168 0.000 1.176 184 A CA 1.318 53.229 52.037 -0.210 0.000 0.631 184 A CB -0.253 18.546 19.000 -0.335 0.000 0.814 184 A HN 0.322 nan 8.150 nan 0.000 0.446 185 L N -0.450 120.731 121.223 -0.070 0.000 2.217 185 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 185 L C 1.553 178.438 176.870 0.026 0.000 1.107 185 L CA 1.880 56.727 54.840 0.013 0.000 0.783 185 L CB -1.420 40.727 42.059 0.147 0.000 0.919 185 L HN 0.384 nan 8.230 nan 0.000 0.442 186 D N -0.843 119.568 120.400 0.019 0.000 2.149 186 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 186 D C 2.338 178.587 176.300 -0.084 0.000 0.972 186 D CA 0.620 54.643 54.000 0.038 0.000 0.835 186 D CB 0.243 41.093 40.800 0.083 0.000 0.966 186 D HN -0.007 nan 8.370 nan 0.000 0.476 187 V N 0.683 120.480 119.914 -0.195 0.000 2.295 187 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 187 V C 2.379 178.319 176.094 -0.257 0.000 1.049 187 V CA 1.203 63.282 62.300 -0.369 0.000 1.024 187 V CB -0.464 31.004 31.823 -0.592 0.000 0.648 187 V HN 0.267 nan 8.190 nan 0.000 0.447 188 L N 0.431 121.543 121.223 -0.186 0.000 2.191 188 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 188 L C 2.576 179.374 176.870 -0.121 0.000 1.103 188 L CA 1.439 56.184 54.840 -0.158 0.000 0.769 188 L CB -1.037 40.942 42.059 -0.133 0.000 0.908 188 L HN 0.490 nan 8.230 nan 0.000 0.438 189 G N -0.324 108.433 108.800 -0.072 0.000 2.418 189 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 189 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 189 G C 1.767 176.621 174.900 -0.076 0.000 1.158 189 G CA 0.770 45.847 45.100 -0.039 0.000 0.771 189 G HN 0.464 nan 8.290 nan 0.000 0.545 190 A N 0.015 122.778 122.820 -0.094 0.000 1.930 190 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 190 A C 2.576 180.115 177.584 -0.076 0.000 1.175 190 A CA 1.604 53.590 52.037 -0.085 0.000 0.627 190 A CB -0.523 18.413 19.000 -0.106 0.000 0.815 190 A HN 0.236 nan 8.150 nan 0.000 0.443 191 V N -0.346 119.499 119.914 -0.116 0.000 2.343 191 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 191 V C 2.585 178.538 176.094 -0.236 0.000 1.051 191 V CA 1.992 64.201 62.300 -0.153 0.000 1.036 191 V CB -0.608 31.066 31.823 -0.248 0.000 0.654 191 V HN 0.380 nan 8.190 nan 0.000 0.451 192 V N -0.188 119.607 119.914 -0.198 0.000 2.343 192 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 192 V C 2.407 178.435 176.094 -0.110 0.000 1.051 192 V CA 2.107 64.304 62.300 -0.172 0.000 1.036 192 V CB -0.647 31.107 31.823 -0.115 0.000 0.654 192 V HN 0.632 nan 8.190 nan 0.000 0.451 193 E N -0.278 119.874 120.200 -0.080 0.000 2.058 193 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 193 E C 2.531 179.124 176.600 -0.011 0.000 0.997 193 E CA 1.065 57.437 56.400 -0.048 0.000 0.801 193 E CB -0.183 29.489 29.700 -0.046 0.000 0.746 193 E HN 0.444 nan 8.360 nan 0.000 0.450 194 R N 0.514 121.025 120.500 0.018 0.000 2.070 194 R HA -0.072 4.268 4.340 -0.000 0.000 0.233 194 R C 2.291 178.676 176.300 0.141 0.000 1.137 194 R CA 1.314 57.477 56.100 0.105 0.000 0.945 194 R CB -1.023 29.407 30.300 0.217 0.000 0.845 194 R HN 0.169 nan 8.270 nan 0.000 0.430 195 A N -0.148 122.720 122.820 0.080 0.000 2.019 195 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 195 A C 2.183 179.788 177.584 0.035 0.000 1.164 195 A CA 1.982 54.062 52.037 0.072 0.000 0.644 195 A CB -0.475 18.394 19.000 -0.219 0.000 0.805 195 A HN 0.331 nan 8.150 nan 0.000 0.449 196 T N -2.229 112.322 114.554 -0.004 0.000 3.040 196 T HA 0.355 4.705 4.350 -0.000 0.000 0.252 196 T C 1.345 176.050 174.700 0.009 0.000 1.064 196 T CA 1.279 63.375 62.100 -0.006 0.000 1.110 196 T CB -0.046 68.803 68.868 -0.031 0.000 0.921 196 T HN 1.380 nan 8.240 nan 0.000 0.480 197 G N 1.632 110.442 108.800 0.016 0.000 2.155 197 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 197 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 197 G C -0.104 174.798 174.900 0.005 0.000 0.983 197 G CA 0.302 45.412 45.100 0.017 0.000 0.676 197 G HN 0.551 nan 8.290 nan 0.000 0.528 198 Q N -0.491 119.305 119.800 -0.007 0.000 2.399 198 Q HA 0.541 4.881 4.340 -0.000 0.000 0.276 198 Q C -2.763 173.218 176.000 -0.032 0.000 1.098 198 Q CA -2.257 53.538 55.803 -0.014 0.000 0.827 198 Q CB 2.198 30.928 28.738 -0.012 0.000 1.386 198 Q HN 0.114 nan 8.270 nan 0.000 0.443 199 P HA -0.041 nan 4.420 nan 0.000 0.272 199 P C 0.282 177.511 177.300 -0.119 0.000 1.223 199 P CA -0.239 62.818 63.100 -0.071 0.000 0.784 199 P CB 0.588 32.254 31.700 -0.057 0.000 0.923 200 L N 3.711 124.814 121.223 -0.199 0.000 2.021 200 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 200 L C 2.093 178.763 176.870 -0.333 0.000 1.074 200 L CA 2.598 57.262 54.840 -0.294 0.000 0.760 200 L CB -1.594 40.208 42.059 -0.429 0.000 0.889 200 L HN 0.447 nan 8.230 nan 0.000 0.433 201 A N -0.777 121.774 122.820 -0.448 0.000 1.883 201 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 201 A C 2.444 180.046 177.584 0.031 0.000 1.186 201 A CA 2.243 54.208 52.037 -0.119 0.000 0.624 201 A CB -1.265 17.743 19.000 0.013 0.000 0.822 201 A HN 0.604 nan 8.150 nan 0.000 0.444 202 A N -0.458 122.356 122.820 -0.011 0.000 1.933 202 A HA 0.200 4.520 4.320 -0.000 0.000 0.218 202 A C 2.470 180.063 177.584 0.015 0.000 1.175 202 A CA 2.014 54.060 52.037 0.015 0.000 0.628 202 A CB -0.886 18.116 19.000 0.004 0.000 0.814 202 A HN 1.034 nan 8.150 nan 0.000 0.444 203 A N -0.623 122.193 122.820 -0.006 0.000 1.873 203 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 203 A C 2.205 179.809 177.584 0.034 0.000 1.186 203 A CA 1.623 53.661 52.037 0.001 0.000 0.616 203 A CB -0.899 18.085 19.000 -0.027 0.000 0.823 203 A HN 0.355 nan 8.150 nan 0.000 0.442 204 V N 0.468 120.423 119.914 0.069 0.000 2.343 204 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 204 V C 2.294 178.448 176.094 0.099 0.000 1.051 204 V CA 2.520 64.892 62.300 0.121 0.000 1.036 204 V CB -0.805 31.169 31.823 0.251 0.000 0.654 204 V HN 0.670 nan 8.190 nan 0.000 0.451 205 D N -0.051 120.403 120.400 0.091 0.000 2.097 205 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 205 D C 2.143 178.478 176.300 0.058 0.000 0.989 205 D CA 1.554 55.594 54.000 0.067 0.000 0.827 205 D CB -0.153 40.685 40.800 0.063 0.000 0.966 205 D HN 0.388 nan 8.370 nan 0.000 0.456 206 A N -0.235 122.615 122.820 0.051 0.000 1.873 206 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 206 A C 2.298 179.916 177.584 0.057 0.000 1.186 206 A CA 1.016 53.080 52.037 0.044 0.000 0.616 206 A CB -0.718 18.299 19.000 0.029 0.000 0.823 206 A HN 0.325 nan 8.150 nan 0.000 0.442 207 L N -1.249 120.010 121.223 0.060 0.000 2.179 207 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 207 L C 1.839 178.815 176.870 0.176 0.000 1.096 207 L CA 0.668 55.550 54.840 0.070 0.000 0.779 207 L CB -0.014 42.065 42.059 0.033 0.000 0.922 207 L HN 0.274 nan 8.230 nan 0.000 0.443 208 V N -1.983 118.041 119.914 0.183 0.000 3.161 208 V HA 0.222 4.342 4.120 -0.000 0.000 0.221 208 V C 2.226 178.370 176.094 0.084 0.000 1.296 208 V CA 0.741 63.184 62.300 0.239 0.000 1.306 208 V CB -0.226 31.701 31.823 0.172 0.000 1.171 208 V HN 0.173 nan 8.190 nan 0.000 0.513 209 A N 0.192 123.037 122.820 0.043 0.000 1.849 209 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 209 A C 2.163 179.747 177.584 0.000 0.000 1.202 209 A CA 2.582 54.617 52.037 -0.004 0.000 0.629 209 A CB -0.817 18.181 19.000 -0.002 0.000 0.834 209 A HN 0.504 nan 8.150 nan 0.000 0.447 210 Q N -0.055 119.762 119.800 0.028 0.000 2.002 210 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 210 Q C -0.390 175.632 176.000 0.035 0.000 0.988 210 Q CA 2.425 58.245 55.803 0.029 0.000 0.843 210 Q CB -1.522 27.239 28.738 0.038 0.000 0.908 210 Q HN 0.422 nan 8.270 nan 0.000 0.420 211 P HA -0.120 nan 4.420 nan 0.000 0.217 211 P C 0.867 178.189 177.300 0.037 0.000 1.148 211 P CA 1.215 64.380 63.100 0.109 0.000 0.828 211 P CB -0.114 31.745 31.700 0.265 0.000 0.783 212 L N -3.014 118.184 121.223 -0.042 0.000 2.667 212 L HA 0.315 4.655 4.340 -0.000 0.000 0.232 212 L C 1.289 178.105 176.870 -0.091 0.000 1.138 212 L CA 0.413 55.172 54.840 -0.134 0.000 0.921 212 L CB -0.652 41.242 42.059 -0.276 0.000 1.180 212 L HN 0.111 nan 8.230 nan 0.000 0.487 213 G N 0.829 109.600 108.800 -0.049 0.000 2.153 213 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 213 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 213 G C 0.274 175.145 174.900 -0.049 0.000 0.994 213 G CA 0.015 45.091 45.100 -0.040 0.000 0.698 213 G HN 0.338 nan 8.290 nan 0.000 0.521 214 M N 0.281 119.846 119.600 -0.060 0.000 2.557 214 M HA 0.361 4.841 4.480 -0.000 0.000 0.328 214 M C 1.522 177.794 176.300 -0.045 0.000 1.423 214 M CA -0.011 55.249 55.300 -0.067 0.000 1.418 214 M CB 0.458 33.002 32.600 -0.092 0.000 1.381 214 M HN 0.182 nan 8.290 nan 0.000 0.467 215 R N 0.283 120.765 120.500 -0.031 0.000 2.254 215 R HA 0.047 4.387 4.340 -0.000 0.000 0.195 215 R C 0.064 176.368 176.300 0.005 0.000 0.957 215 R CA 0.501 56.596 56.100 -0.008 0.000 1.024 215 R CB 0.395 30.695 30.300 -0.000 0.000 0.952 215 R HN 0.577 nan 8.270 nan 0.000 0.484 216 D N 0.146 120.539 120.400 -0.011 0.000 2.738 216 D HA 0.157 4.797 4.640 -0.000 0.000 0.246 216 D C -0.479 175.809 176.300 -0.020 0.000 1.270 216 D CA 0.154 54.171 54.000 0.027 0.000 0.833 216 D CB 0.384 41.195 40.800 0.019 0.000 1.040 216 D HN 0.127 nan 8.370 nan 0.000 0.487 217 C N -0.875 118.328 119.300 -0.161 0.000 3.108 217 C HA 0.982 5.442 4.460 -0.000 0.000 0.321 217 C C 0.865 175.453 174.990 -0.670 0.000 1.357 217 C CA -0.578 58.121 59.018 -0.532 0.000 1.562 217 C CB 1.705 29.221 27.740 -0.374 0.000 2.003 217 C HN 0.461 nan 8.230 nan 0.000 0.460 218 G N -0.438 107.737 108.800 -1.041 0.000 2.344 218 G HA2 0.389 4.349 3.960 -0.000 0.000 0.282 218 G HA3 0.389 4.349 3.960 -0.000 0.000 0.282 218 G C -0.830 173.808 174.900 -0.437 0.000 1.281 218 G CA -0.274 44.558 45.100 -0.447 0.000 0.877 218 G HN 0.394 nan 8.290 nan 0.000 0.494 219 F N -0.586 119.408 119.950 0.073 0.000 2.592 219 F HA 0.479 5.006 4.527 -0.000 0.000 0.280 219 F C 0.964 176.923 175.800 0.264 0.000 1.083 219 F CA 0.027 58.122 58.000 0.159 0.000 1.365 219 F CB 0.973 40.022 39.000 0.083 0.000 1.100 219 F HN 0.255 nan 8.300 nan 0.000 0.633 220 V N 0.182 120.375 119.914 0.465 0.000 2.444 220 V HA 0.483 4.603 4.120 -0.000 0.000 0.294 220 V C -0.343 175.876 176.094 0.209 0.000 1.022 220 V CA -0.866 61.577 62.300 0.238 0.000 0.850 220 V CB 1.492 33.411 31.823 0.161 0.000 0.992 220 V HN 0.067 nan 8.190 nan 0.000 0.426 221 S N 3.383 119.051 115.700 -0.053 0.000 2.578 221 S HA 0.781 5.251 4.470 -0.000 0.000 0.301 221 S C 0.549 175.238 174.600 0.149 0.000 1.091 221 S CA 0.197 58.347 58.200 -0.083 0.000 1.032 221 S CB 1.955 64.916 63.200 -0.399 0.000 1.064 221 S HN 1.046 nan 8.310 nan 0.000 0.508 222 A N 2.847 125.742 122.820 0.125 0.000 2.503 222 A HA 0.437 4.757 4.320 -0.000 0.000 0.263 222 A C -0.006 177.599 177.584 0.035 0.000 1.258 222 A CA -0.317 51.770 52.037 0.084 0.000 0.936 222 A CB -0.003 19.029 19.000 0.055 0.000 1.070 222 A HN 0.811 nan 8.150 nan 0.000 0.522 223 E N 0.950 121.213 120.200 0.106 0.000 3.167 223 E HA 0.137 4.487 4.350 -0.000 0.000 0.212 223 E C -2.021 174.666 176.600 0.145 0.000 1.143 223 E CA -1.770 54.678 56.400 0.079 0.000 1.002 223 E CB 1.220 30.977 29.700 0.096 0.000 1.315 223 E HN 0.282 nan 8.360 nan 0.000 0.422 224 P HA -0.251 nan 4.420 nan 0.000 0.218 224 P C 1.188 178.482 177.300 -0.011 0.000 1.148 224 P CA 1.231 64.116 63.100 -0.359 0.000 0.822 224 P CB 0.341 31.491 31.700 -0.916 0.000 0.784 225 E N 1.125 121.303 120.200 -0.037 0.000 2.401 225 E HA -0.171 4.179 4.350 -0.000 0.000 0.199 225 E C 1.581 178.191 176.600 0.016 0.000 1.023 225 E CA 0.841 57.230 56.400 -0.018 0.000 0.859 225 E CB -0.575 29.101 29.700 -0.040 0.000 0.780 225 E HN 0.327 nan 8.360 nan 0.000 0.523 226 R N -0.682 119.859 120.500 0.068 0.000 2.290 226 R HA 0.219 4.559 4.340 -0.000 0.000 0.197 226 R C 0.117 176.336 176.300 -0.136 0.000 0.913 226 R CA -0.196 55.882 56.100 -0.036 0.000 1.040 226 R CB 0.148 30.400 30.300 -0.079 0.000 0.992 226 R HN 0.021 nan 8.270 nan 0.000 0.500 227 F N 0.839 120.738 119.950 -0.086 0.000 2.380 227 F HA 0.336 4.863 4.527 -0.000 0.000 0.325 227 F C 0.778 176.457 175.800 -0.202 0.000 1.136 227 F CA -0.969 56.953 58.000 -0.131 0.000 1.171 227 F CB 0.642 39.646 39.000 0.007 0.000 1.230 227 F HN -0.096 nan 8.300 nan 0.000 0.554 228 A N 2.045 124.760 122.820 -0.176 0.000 2.269 228 A HA 0.547 4.867 4.320 -0.000 0.000 0.302 228 A C -0.718 176.873 177.584 0.012 0.000 1.266 228 A CA -0.604 51.302 52.037 -0.219 0.000 0.894 228 A CB -0.127 18.484 19.000 -0.648 0.000 1.147 228 A HN 0.506 nan 8.150 nan 0.000 0.537 229 V N 5.636 125.593 119.914 0.071 0.000 2.521 229 V HA 0.137 4.257 4.120 -0.000 0.000 0.286 229 V C -2.026 174.032 176.094 -0.060 0.000 1.034 229 V CA -0.791 61.508 62.300 -0.002 0.000 1.045 229 V CB 0.849 32.660 31.823 -0.020 0.000 0.974 229 V HN 0.740 nan 8.190 nan 0.000 0.480 230 P HA 0.327 nan 4.420 nan 0.000 0.276 230 P C -1.268 175.785 177.300 -0.411 0.000 1.230 230 P CA 0.068 63.096 63.100 -0.120 0.000 0.776 230 P CB 0.345 32.030 31.700 -0.025 0.000 0.888 231 Y N 1.064 121.332 120.300 -0.054 0.000 2.602 231 Y HA 0.550 5.100 4.550 -0.000 0.000 0.342 231 Y C 0.737 176.548 175.900 -0.147 0.000 1.029 231 Y CA -0.403 57.626 58.100 -0.118 0.000 1.080 231 Y CB 1.559 39.960 38.460 -0.099 0.000 1.284 231 Y HN 0.482 nan 8.280 nan 0.000 0.485 232 H N -2.362 116.674 119.070 -0.056 0.000 2.797 232 H HA 0.488 5.044 4.556 -0.000 0.000 0.372 232 H C -1.394 173.893 175.328 -0.069 0.000 1.168 232 H CA -1.322 54.618 56.048 -0.181 0.000 1.163 232 H CB 0.883 30.469 29.762 -0.292 0.000 1.778 232 H HN 0.379 nan 8.280 nan 0.000 0.551 233 D N 0.627 121.093 120.400 0.110 0.000 2.548 233 D HA 0.377 5.017 4.640 -0.000 0.000 0.231 233 D C 0.586 176.965 176.300 0.132 0.000 1.142 233 D CA 1.762 55.820 54.000 0.096 0.000 0.866 233 D CB 0.802 41.663 40.800 0.101 0.000 1.190 233 D HN 0.918 nan 8.370 nan 0.000 0.469 234 G N 0.504 109.330 108.800 0.043 0.000 2.489 234 G HA2 0.367 4.327 3.960 -0.000 0.000 0.291 234 G HA3 0.367 4.327 3.960 -0.000 0.000 0.291 234 G C -1.582 173.327 174.900 0.016 0.000 1.487 234 G CA -0.699 44.422 45.100 0.036 0.000 0.795 234 G HN 0.263 nan 8.290 nan 0.000 0.513 235 Q N 0.240 120.055 119.800 0.024 0.000 2.274 235 Q HA 0.647 4.987 4.340 -0.000 0.000 0.260 235 Q C -1.594 174.411 176.000 0.009 0.000 0.974 235 Q CA -1.853 53.960 55.803 0.016 0.000 0.876 235 Q CB 2.089 30.841 28.738 0.023 0.000 1.297 235 Q HN 0.393 nan 8.270 nan 0.000 0.446 236 P HA 0.113 nan 4.420 nan 0.000 0.253 236 P C -1.296 175.998 177.300 -0.009 0.000 1.459 236 P CA 0.170 63.270 63.100 -0.000 0.000 0.908 236 P CB 0.248 31.948 31.700 -0.000 0.000 1.470 237 E N -1.334 118.856 120.200 -0.016 0.000 2.392 237 E HA 0.420 4.770 4.350 -0.000 0.000 0.281 237 E C -3.414 173.159 176.600 -0.046 0.000 1.088 237 E CA -2.298 54.082 56.400 -0.034 0.000 0.850 237 E CB 0.321 29.996 29.700 -0.042 0.000 1.267 237 E HN -0.270 nan 8.360 nan 0.000 0.438 238 P HA 0.001 nan 4.420 nan 0.000 0.269 238 P C -0.789 176.474 177.300 -0.062 0.000 1.211 238 P CA -0.210 62.849 63.100 -0.068 0.000 0.781 238 P CB 0.481 32.147 31.700 -0.057 0.000 0.877 239 V N 3.077 122.850 119.914 -0.236 0.000 2.417 239 V HA 0.314 4.434 4.120 -0.000 0.000 0.291 239 V C 0.636 176.611 176.094 -0.198 0.000 1.024 239 V CA -0.732 61.401 62.300 -0.278 0.000 0.861 239 V CB 1.249 32.702 31.823 -0.617 0.000 0.985 239 V HN 0.437 nan 8.190 nan 0.000 0.436 240 R N 4.698 125.158 120.500 -0.066 0.000 2.458 240 R HA 0.196 4.536 4.340 -0.000 0.000 0.303 240 R C 0.086 176.225 176.300 -0.268 0.000 1.013 240 R CA 0.078 55.943 56.100 -0.391 0.000 1.026 240 R CB 0.201 30.362 30.300 -0.232 0.000 0.948 240 R HN 0.676 nan 8.270 nan 0.000 0.417 241 M N 4.633 124.051 119.600 -0.302 0.000 2.243 241 M HA 0.163 4.643 4.480 -0.000 0.000 0.341 241 M C 0.411 176.665 176.300 -0.076 0.000 1.130 241 M CA 0.527 55.759 55.300 -0.114 0.000 1.162 241 M CB 1.020 33.545 32.600 -0.124 0.000 1.497 241 M HN 0.646 nan 8.290 nan 0.000 0.456 242 R N 0.309 120.805 120.500 -0.006 0.000 2.867 242 R HA 0.484 4.824 4.340 -0.000 0.000 0.268 242 R C -1.520 174.800 176.300 0.034 0.000 1.014 242 R CA -1.048 55.054 56.100 0.002 0.000 0.946 242 R CB 0.961 31.262 30.300 0.001 0.000 1.208 242 R HN 0.379 nan 8.270 nan 0.000 0.477 243 D N 0.545 120.961 120.400 0.027 0.000 2.487 243 D HA 0.251 4.891 4.640 -0.000 0.000 0.243 243 D C 1.110 177.425 176.300 0.024 0.000 1.154 243 D CA 2.122 56.140 54.000 0.030 0.000 0.876 243 D CB 1.061 41.868 40.800 0.011 0.000 1.161 243 D HN 0.841 nan 8.370 nan 0.000 0.478 244 G N 2.361 111.176 108.800 0.024 0.000 2.195 244 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.224 244 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.224 244 G C 0.440 175.355 174.900 0.025 0.000 0.990 244 G CA -0.412 44.693 45.100 0.007 0.000 0.639 244 G HN 0.539 nan 8.290 nan 0.000 0.514 245 I N 2.329 122.936 120.570 0.062 0.000 2.587 245 I HA 0.290 4.460 4.170 -0.000 0.000 0.284 245 I C 0.474 176.644 176.117 0.088 0.000 1.134 245 I CA 0.162 61.503 61.300 0.068 0.000 1.410 245 I CB 0.746 38.791 38.000 0.076 0.000 1.392 245 I HN 0.392 nan 8.210 nan 0.000 0.545 246 E N 6.925 127.155 120.200 0.049 0.000 2.130 246 E HA 0.347 4.697 4.350 -0.000 0.000 0.284 246 E C -1.400 175.241 176.600 0.068 0.000 1.018 246 E CA -0.577 55.859 56.400 0.061 0.000 0.817 246 E CB 0.991 30.731 29.700 0.066 0.000 1.078 246 E HN 0.434 nan 8.360 nan 0.000 0.396 247 V N 7.190 127.189 119.914 0.142 0.000 2.328 247 V HA 0.288 4.408 4.120 -0.000 0.000 0.278 247 V C -2.185 174.063 176.094 0.256 0.000 1.021 247 V CA -2.126 60.243 62.300 0.116 0.000 0.838 247 V CB 1.076 32.948 31.823 0.082 0.000 0.999 247 V HN 0.759 nan 8.190 nan 0.000 0.447 248 P HA 0.099 nan 4.420 nan 0.000 0.264 248 P C -0.275 177.141 177.300 0.194 0.000 1.183 248 P CA 0.160 63.353 63.100 0.155 0.000 0.763 248 P CB 0.516 32.276 31.700 0.100 0.000 0.807 249 L N 5.640 126.878 121.223 0.024 0.000 2.418 249 L HA 0.376 4.716 4.340 -0.000 0.000 0.265 249 L C -1.503 175.266 176.870 -0.169 0.000 1.143 249 L CA -1.875 52.809 54.840 -0.260 0.000 0.809 249 L CB 0.172 42.077 42.059 -0.258 0.000 1.124 249 L HN 0.323 nan 8.230 nan 0.000 0.456 250 P HA 0.033 nan 4.420 nan 0.000 0.274 250 P C -1.039 176.242 177.300 -0.031 0.000 1.260 250 P CA -0.503 62.516 63.100 -0.136 0.000 0.793 250 P CB 0.283 31.838 31.700 -0.241 0.000 1.048 251 E N -0.123 120.078 120.200 0.003 0.000 2.558 251 E HA 0.201 4.551 4.350 -0.000 0.000 0.255 251 E C 1.098 177.736 176.600 0.064 0.000 0.968 251 E CA 0.788 57.204 56.400 0.027 0.000 0.939 251 E CB -0.700 29.011 29.700 0.018 0.000 0.921 251 E HN 0.787 nan 8.360 nan 0.000 0.477 252 G N 2.986 111.804 108.800 0.031 0.000 2.153 252 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.252 252 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.252 252 G C 0.333 175.208 174.900 -0.041 0.000 0.994 252 G CA 0.605 45.703 45.100 -0.002 0.000 0.698 252 G HN 0.754 nan 8.290 nan 0.000 0.521 253 H N -0.500 118.517 119.070 -0.089 0.000 2.755 253 H HA 0.488 5.044 4.556 -0.000 0.000 0.273 253 H C 1.419 176.687 175.328 -0.099 0.000 1.055 253 H CA 1.588 57.565 56.048 -0.118 0.000 1.191 253 H CB 0.961 30.601 29.762 -0.205 0.000 1.536 253 H HN 1.352 nan 8.280 nan 0.000 0.529 254 G N -0.728 108.076 108.800 0.007 0.000 2.353 254 G HA2 0.106 4.066 3.960 -0.000 0.000 0.615 254 G HA3 0.106 4.066 3.960 -0.000 0.000 0.615 254 G C 0.481 175.356 174.900 -0.042 0.000 1.280 254 G CA -0.300 44.785 45.100 -0.025 0.000 1.000 254 G HN 0.312 nan 8.290 nan 0.000 0.516 255 A N -0.421 122.355 122.820 -0.073 0.000 1.832 255 A HA 0.889 5.209 4.320 -0.000 0.000 0.214 255 A C 1.471 179.067 177.584 0.020 0.000 1.242 255 A CA 2.991 54.989 52.037 -0.066 0.000 0.603 255 A CB -0.560 18.331 19.000 -0.182 0.000 0.902 255 A HN 2.759 nan 8.150 nan 0.000 0.455 256 A N -2.752 120.135 122.820 0.112 0.000 2.581 256 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 256 A C -1.606 176.154 177.584 0.293 0.000 1.119 256 A CA -0.187 51.982 52.037 0.220 0.000 0.670 256 A CB 0.704 19.858 19.000 0.257 0.000 1.280 256 A HN 0.780 nan 8.150 nan 0.000 0.425 257 V N 0.828 120.827 119.914 0.142 0.000 2.577 257 V HA 0.495 4.615 4.120 -0.000 0.000 0.303 257 V C -0.399 175.508 176.094 -0.313 0.000 1.042 257 V CA -0.561 61.636 62.300 -0.172 0.000 0.872 257 V CB 1.775 33.315 31.823 -0.471 0.000 0.998 257 V HN 0.821 nan 8.190 nan 0.000 0.423 258 R N 3.730 123.988 120.500 -0.404 0.000 2.207 258 R HA 0.562 4.902 4.340 -0.000 0.000 0.334 258 R C -1.268 174.819 176.300 -0.354 0.000 1.013 258 R CA -0.174 55.751 56.100 -0.292 0.000 0.858 258 R CB 0.964 31.069 30.300 -0.326 0.000 1.094 258 R HN 0.513 nan 8.270 nan 0.000 0.457 259 F N 0.990 120.865 119.950 -0.125 0.000 2.397 259 F HA 0.477 5.004 4.527 -0.000 0.000 0.331 259 F C 0.601 176.371 175.800 -0.049 0.000 1.090 259 F CA -0.610 57.322 58.000 -0.114 0.000 1.065 259 F CB 1.847 40.774 39.000 -0.122 0.000 1.184 259 F HN 0.476 nan 8.300 nan 0.000 0.499 260 A N 4.127 127.067 122.820 0.199 0.000 2.943 260 A HA 0.489 4.809 4.320 -0.000 0.000 0.327 260 A C -2.223 175.443 177.584 0.135 0.000 1.141 260 A CA -1.293 50.808 52.037 0.107 0.000 0.773 260 A CB 0.247 19.253 19.000 0.010 0.000 1.143 260 A HN 0.493 nan 8.150 nan 0.000 0.463 261 P HA -0.215 nan 4.420 nan 0.000 0.219 261 P C 1.656 178.940 177.300 -0.027 0.000 1.144 261 P CA 2.131 65.276 63.100 0.075 0.000 0.806 261 P CB 0.277 32.002 31.700 0.042 0.000 0.771 262 S N -1.240 114.471 115.700 0.017 0.000 2.527 262 S HA -0.021 4.449 4.470 -0.000 0.000 0.222 262 S C 1.997 176.558 174.600 -0.065 0.000 0.985 262 S CA 0.112 58.350 58.200 0.062 0.000 0.921 262 S CB -0.638 62.607 63.200 0.076 0.000 0.772 262 S HN -0.075 nan 8.310 nan 0.000 0.529 263 R N 1.827 122.264 120.500 -0.105 0.000 2.119 263 R HA -0.048 4.292 4.340 -0.000 0.000 0.246 263 R C 1.959 178.131 176.300 -0.213 0.000 1.146 263 R CA 1.956 57.979 56.100 -0.127 0.000 0.962 263 R CB -1.446 28.808 30.300 -0.077 0.000 0.863 263 R HN 0.344 nan 8.270 nan 0.000 0.442 264 V N -0.097 119.556 119.914 -0.435 0.000 2.913 264 V HA -0.059 4.061 4.120 -0.000 0.000 0.260 264 V C 0.775 176.450 176.094 -0.699 0.000 1.098 264 V CA 1.414 63.345 62.300 -0.615 0.000 1.121 264 V CB -0.382 30.889 31.823 -0.921 0.000 0.714 264 V HN 0.369 nan 8.190 nan 0.000 0.487 265 F N -0.207 119.622 119.950 -0.203 0.000 2.695 265 F HA 0.399 4.926 4.527 -0.000 0.000 0.303 265 F C 0.928 176.671 175.800 -0.095 0.000 1.091 265 F CA -0.576 57.318 58.000 -0.177 0.000 1.300 265 F CB 0.035 38.906 39.000 -0.214 0.000 1.071 265 F HN 0.126 nan 8.300 nan 0.000 0.578 266 E N 2.247 122.460 120.200 0.021 0.000 2.089 266 E HA 0.247 4.597 4.350 -0.000 0.000 0.284 266 E C -2.054 174.553 176.600 0.013 0.000 1.023 266 E CA -2.651 53.758 56.400 0.016 0.000 0.819 266 E CB 1.072 30.763 29.700 -0.016 0.000 1.076 266 E HN -0.050 nan 8.360 nan 0.000 0.396 267 P HA -0.043 nan 4.420 nan 0.000 0.221 267 P C 0.828 178.145 177.300 0.029 0.000 1.145 267 P CA 1.197 64.320 63.100 0.038 0.000 0.795 267 P CB 0.392 32.115 31.700 0.039 0.000 0.775 268 G N -0.823 107.986 108.800 0.015 0.000 2.880 268 G HA2 0.166 4.126 3.960 -0.000 0.000 0.209 268 G HA3 0.166 4.126 3.960 -0.000 0.000 0.209 268 G C 0.502 175.402 174.900 -0.001 0.000 1.157 268 G CA 0.153 45.263 45.100 0.015 0.000 0.779 268 G HN 0.382 nan 8.290 nan 0.000 0.539 269 A N 0.948 123.745 122.820 -0.038 0.000 2.444 269 A HA 0.506 4.826 4.320 -0.000 0.000 0.273 269 A C 0.195 177.727 177.584 -0.088 0.000 1.136 269 A CA -0.797 51.163 52.037 -0.127 0.000 0.799 269 A CB -0.486 18.422 19.000 -0.152 0.000 1.081 269 A HN 0.555 nan 8.150 nan 0.000 0.509 270 Y N 2.638 122.932 120.300 -0.010 0.000 2.683 270 Y HA 0.409 4.959 4.550 -0.000 0.000 0.340 270 Y C -2.118 173.804 175.900 0.037 0.000 1.245 270 Y CA -2.879 55.227 58.100 0.009 0.000 1.485 270 Y CB -0.568 37.906 38.460 0.023 0.000 1.328 270 Y HN 0.507 nan 8.280 nan 0.000 0.603 271 P HA -0.001 nan 4.420 nan 0.000 0.270 271 P C -0.659 176.822 177.300 0.301 0.000 1.242 271 P CA -0.051 63.103 63.100 0.090 0.000 0.768 271 P CB 1.241 32.753 31.700 -0.314 0.000 0.820 272 S N 2.617 118.545 115.700 0.379 0.000 2.410 272 S HA 0.410 4.880 4.470 -0.000 0.000 0.304 272 S C 1.687 176.533 174.600 0.410 0.000 1.095 272 S CA -0.323 58.103 58.200 0.376 0.000 1.089 272 S CB -0.140 63.216 63.200 0.259 0.000 0.968 272 S HN 0.518 nan 8.310 nan 0.000 0.480 273 G N 3.227 112.217 108.800 0.318 0.000 2.534 273 G HA2 0.069 4.029 3.960 -0.000 0.000 0.217 273 G HA3 0.069 4.029 3.960 -0.000 0.000 0.217 273 G C 0.957 176.013 174.900 0.260 0.000 1.128 273 G CA 0.435 45.705 45.100 0.283 0.000 0.784 273 G HN 0.814 nan 8.290 nan 0.000 0.542 274 G N -1.323 107.641 108.800 0.274 0.000 3.192 274 G HA2 0.464 4.424 3.960 -0.000 0.000 0.239 274 G HA3 0.464 4.424 3.960 -0.000 0.000 0.239 274 G C 0.690 175.793 174.900 0.338 0.000 1.084 274 G CA 0.982 46.272 45.100 0.317 0.000 0.784 274 G HN 0.741 nan 8.290 nan 0.000 0.540 275 A N -0.932 122.059 122.820 0.285 0.000 2.654 275 A HA 0.475 4.795 4.320 -0.000 0.000 0.203 275 A C 1.439 179.149 177.584 0.210 0.000 1.306 275 A CA 0.810 53.002 52.037 0.257 0.000 1.041 275 A CB -0.145 18.988 19.000 0.223 0.000 1.217 275 A HN 0.524 nan 8.150 nan 0.000 0.510 276 G N 0.122 109.031 108.800 0.181 0.000 3.605 276 G HA2 0.472 4.432 3.960 -0.000 0.000 0.277 276 G HA3 0.472 4.432 3.960 -0.000 0.000 0.277 276 G C 0.260 175.119 174.900 -0.067 0.000 1.093 276 G CA -0.041 45.138 45.100 0.133 0.000 0.821 276 G HN 0.326 nan 8.290 nan 0.000 0.532 277 M N 0.288 119.753 119.600 -0.225 0.000 2.613 277 M HA 0.554 5.034 4.480 -0.000 0.000 0.301 277 M C -0.453 175.796 176.300 -0.085 0.000 1.205 277 M CA -1.180 53.846 55.300 -0.456 0.000 0.950 277 M CB 1.879 34.090 32.600 -0.648 0.000 1.585 277 M HN 0.279 nan 8.290 nan 0.000 0.490 278 Y N -1.179 119.062 120.300 -0.099 0.000 2.602 278 Y HA 0.980 5.530 4.550 -0.000 0.000 0.342 278 Y C -0.485 175.396 175.900 -0.033 0.000 1.029 278 Y CA -1.034 57.089 58.100 0.038 0.000 1.080 278 Y CB 1.536 40.138 38.460 0.237 0.000 1.284 278 Y HN 0.745 nan 8.280 nan 0.000 0.485 279 G N 0.192 109.041 108.800 0.081 0.000 2.356 279 G HA2 0.471 4.431 3.960 -0.000 0.000 0.294 279 G HA3 0.471 4.431 3.960 -0.000 0.000 0.294 279 G C -1.686 173.235 174.900 0.035 0.000 1.423 279 G CA -0.611 44.462 45.100 -0.044 0.000 0.806 279 G HN 1.129 nan 8.290 nan 0.000 0.527 280 S N -0.590 115.109 115.700 -0.001 0.000 2.687 280 S HA 0.690 5.160 4.470 -0.000 0.000 0.283 280 S C 1.619 176.211 174.600 -0.013 0.000 1.170 280 S CA 0.510 58.729 58.200 0.032 0.000 1.008 280 S CB 1.724 64.919 63.200 -0.008 0.000 1.026 280 S HN 1.968 nan 8.310 nan 0.000 0.541 281 A N 0.792 123.612 122.820 -0.001 0.000 1.933 281 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 281 A C 1.714 179.248 177.584 -0.082 0.000 1.175 281 A CA 1.591 53.580 52.037 -0.081 0.000 0.628 281 A CB -1.019 17.942 19.000 -0.064 0.000 0.814 281 A HN 0.872 nan 8.150 nan 0.000 0.444 282 D N 0.144 120.508 120.400 -0.060 0.000 2.144 282 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 282 D C 1.254 177.502 176.300 -0.087 0.000 0.984 282 D CA 1.460 55.420 54.000 -0.068 0.000 0.834 282 D CB -0.344 40.424 40.800 -0.053 0.000 0.955 282 D HN 0.369 nan 8.370 nan 0.000 0.465 283 D N -0.037 120.309 120.400 -0.089 0.000 2.097 283 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 283 D C 2.312 178.526 176.300 -0.143 0.000 0.984 283 D CA 0.340 54.275 54.000 -0.109 0.000 0.826 283 D CB -0.189 40.548 40.800 -0.105 0.000 0.973 283 D HN 0.007 nan 8.370 nan 0.000 0.460 284 V N 0.898 120.719 119.914 -0.155 0.000 2.332 284 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 284 V C 2.473 178.435 176.094 -0.220 0.000 1.055 284 V CA 1.099 63.276 62.300 -0.204 0.000 1.038 284 V CB -0.462 31.230 31.823 -0.219 0.000 0.651 284 V HN 0.167 nan 8.190 nan 0.000 0.450 285 L N 0.107 121.226 121.223 -0.173 0.000 2.079 285 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 285 L C 2.593 179.368 176.870 -0.159 0.000 1.081 285 L CA 1.924 56.670 54.840 -0.156 0.000 0.752 285 L CB -0.588 41.405 42.059 -0.110 0.000 0.896 285 L HN 0.192 nan 8.230 nan 0.000 0.433 286 R N -0.849 119.560 120.500 -0.152 0.000 2.091 286 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 286 R C 2.248 178.424 176.300 -0.206 0.000 1.136 286 R CA 1.355 57.359 56.100 -0.159 0.000 0.959 286 R CB -0.629 29.584 30.300 -0.146 0.000 0.856 286 R HN 0.537 nan 8.270 nan 0.000 0.437 287 A N 1.076 123.762 122.820 -0.224 0.000 1.898 287 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 287 A C 2.165 179.597 177.584 -0.253 0.000 1.181 287 A CA 1.050 52.937 52.037 -0.251 0.000 0.620 287 A CB -0.461 18.400 19.000 -0.231 0.000 0.819 287 A HN 0.165 nan 8.150 nan 0.000 0.442 288 L N -0.682 120.372 121.223 -0.282 0.000 2.093 288 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 288 L C 2.547 179.322 176.870 -0.158 0.000 1.085 288 L CA 1.130 55.801 54.840 -0.282 0.000 0.755 288 L CB -0.595 41.260 42.059 -0.339 0.000 0.904 288 L HN 0.333 nan 8.230 nan 0.000 0.435 289 E N 0.411 120.525 120.200 -0.143 0.000 2.150 289 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 289 E C 2.287 178.830 176.600 -0.095 0.000 0.985 289 E CA 1.256 57.596 56.400 -0.099 0.000 0.814 289 E CB -0.051 29.592 29.700 -0.094 0.000 0.752 289 E HN 0.460 nan 8.360 nan 0.000 0.466 290 A N 1.176 123.904 122.820 -0.152 0.000 1.898 290 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 290 A C 2.305 179.851 177.584 -0.062 0.000 1.181 290 A CA 0.904 52.838 52.037 -0.172 0.000 0.620 290 A CB -0.566 18.189 19.000 -0.407 0.000 0.819 290 A HN 0.145 nan 8.150 nan 0.000 0.442 291 I N -1.138 119.397 120.570 -0.059 0.000 2.179 291 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 291 I C 2.781 178.922 176.117 0.039 0.000 1.088 291 I CA 1.645 62.955 61.300 0.016 0.000 1.357 291 I CB -0.329 37.666 38.000 -0.008 0.000 1.051 291 I HN 0.361 nan 8.210 nan 0.000 0.409 292 R N 0.912 121.421 120.500 0.015 0.000 2.070 292 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 292 R C 2.068 178.388 176.300 0.033 0.000 1.138 292 R CA 1.974 58.093 56.100 0.030 0.000 0.936 292 R CB -0.215 30.088 30.300 0.005 0.000 0.839 292 R HN 0.371 nan 8.270 nan 0.000 0.429 293 A N 0.267 123.099 122.820 0.021 0.000 2.267 293 A HA 0.014 4.334 4.320 -0.000 0.000 0.213 293 A C 0.401 178.016 177.584 0.051 0.000 1.192 293 A CA 0.125 52.184 52.037 0.037 0.000 0.851 293 A CB -0.080 18.938 19.000 0.031 0.000 0.881 293 A HN 0.595 nan 8.150 nan 0.000 0.494 294 N N 0.508 119.244 118.700 0.061 0.000 2.691 294 N HA -0.123 4.617 4.740 -0.000 0.000 0.277 294 N C -2.145 173.423 175.510 0.096 0.000 1.029 294 N CA 0.857 53.968 53.050 0.101 0.000 0.798 294 N CB -0.422 38.131 38.487 0.110 0.000 0.922 294 N HN 0.365 nan 8.380 nan 0.000 0.562 295 P HA 0.194 nan 4.420 nan 0.000 0.226 295 P C 0.772 178.134 177.300 0.104 0.000 1.783 295 P CA 0.617 63.761 63.100 0.072 0.000 0.980 295 P CB -0.298 31.428 31.700 0.043 0.000 1.967 296 G N 1.007 109.872 108.800 0.107 0.000 2.153 296 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 296 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 296 G C 0.326 175.312 174.900 0.143 0.000 0.994 296 G CA 0.057 45.217 45.100 0.099 0.000 0.698 296 G HN 0.405 nan 8.290 nan 0.000 0.521 297 F N 0.021 119.979 119.950 0.012 0.000 2.293 297 F HA 0.488 5.015 4.527 -0.000 0.000 0.297 297 F C 1.136 176.945 175.800 0.014 0.000 1.089 297 F CA 0.923 58.929 58.000 0.010 0.000 1.377 297 F CB 0.183 39.186 39.000 0.006 0.000 1.051 297 F HN 0.159 nan 8.300 nan 0.000 0.511 298 L N -0.313 120.909 121.223 -0.001 0.000 2.393 298 L HA 0.397 4.737 4.340 -0.000 0.000 0.260 298 L C -2.417 174.453 176.870 -0.001 0.000 1.002 298 L CA -2.331 52.467 54.840 -0.070 0.000 0.818 298 L CB 1.956 44.011 42.059 -0.006 0.000 1.369 298 L HN -0.310 nan 8.230 nan 0.000 0.412 299 P HA 0.015 nan 4.420 nan 0.000 0.266 299 P C -0.164 177.156 177.300 0.033 0.000 1.193 299 P CA 0.034 63.141 63.100 0.011 0.000 0.770 299 P CB 0.647 32.352 31.700 0.007 0.000 0.836 300 E N 0.320 120.542 120.200 0.036 0.000 2.110 300 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 300 E C 1.740 178.368 176.600 0.047 0.000 0.988 300 E CA 2.038 58.464 56.400 0.044 0.000 0.804 300 E CB -0.859 28.865 29.700 0.039 0.000 0.745 300 E HN 0.606 nan 8.360 nan 0.000 0.458 301 T N -0.167 114.413 114.554 0.044 0.000 2.777 301 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 301 T C 1.856 176.596 174.700 0.067 0.000 1.040 301 T CA 0.827 62.956 62.100 0.048 0.000 1.141 301 T CB -0.327 68.567 68.868 0.043 0.000 0.868 301 T HN 0.057 nan 8.240 nan 0.000 0.444 302 L N 1.841 123.109 121.223 0.075 0.000 2.093 302 L HA 0.295 4.635 4.340 -0.000 0.000 0.208 302 L C 2.815 179.760 176.870 0.125 0.000 1.085 302 L CA 1.621 56.528 54.840 0.111 0.000 0.755 302 L CB -1.244 40.864 42.059 0.083 0.000 0.904 302 L HN 0.350 nan 8.230 nan 0.000 0.435 303 A N -0.935 121.942 122.820 0.095 0.000 1.930 303 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 303 A C 1.940 179.575 177.584 0.085 0.000 1.175 303 A CA 1.803 53.901 52.037 0.101 0.000 0.627 303 A CB -0.678 18.377 19.000 0.092 0.000 0.815 303 A HN 0.505 nan 8.150 nan 0.000 0.443 304 D N 0.062 120.501 120.400 0.065 0.000 2.123 304 D HA 0.028 4.668 4.640 -0.000 0.000 0.200 304 D C 2.265 178.576 176.300 0.020 0.000 0.976 304 D CA 1.460 55.486 54.000 0.043 0.000 0.831 304 D CB -0.515 40.307 40.800 0.037 0.000 0.974 304 D HN 0.388 nan 8.370 nan 0.000 0.469 305 A N 1.145 123.979 122.820 0.024 0.000 1.908 305 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 305 A C 2.292 179.765 177.584 -0.185 0.000 1.181 305 A CA 2.279 54.286 52.037 -0.049 0.000 0.627 305 A CB -0.804 18.220 19.000 0.040 0.000 0.818 305 A HN 0.232 nan 8.150 nan 0.000 0.445 306 A N -0.460 122.358 122.820 -0.004 0.000 2.019 306 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 306 A C 2.140 179.726 177.584 0.003 0.000 1.164 306 A CA 1.381 53.459 52.037 0.069 0.000 0.644 306 A CB -0.338 18.826 19.000 0.274 0.000 0.805 306 A HN 0.553 nan 8.150 nan 0.000 0.449 307 R N -1.318 119.186 120.500 0.005 0.000 2.312 307 R HA 0.164 4.504 4.340 -0.000 0.000 0.205 307 R C 0.864 177.155 176.300 -0.016 0.000 0.904 307 R CA -0.178 55.933 56.100 0.019 0.000 1.052 307 R CB 0.175 30.507 30.300 0.053 0.000 1.014 307 R HN 0.396 nan 8.270 nan 0.000 0.503 308 R N 1.765 122.231 120.500 -0.056 0.000 2.500 308 R HA 0.030 4.370 4.340 -0.000 0.000 0.275 308 R C -0.628 175.632 176.300 -0.066 0.000 1.051 308 R CA -0.461 55.608 56.100 -0.052 0.000 1.088 308 R CB 0.769 31.038 30.300 -0.052 0.000 1.063 308 R HN -0.206 nan 8.270 nan 0.000 0.511 309 D N 1.838 122.217 120.400 -0.036 0.000 2.358 309 D HA -0.024 4.616 4.640 -0.000 0.000 0.258 309 D C -0.033 176.269 176.300 0.004 0.000 1.223 309 D CA 0.396 54.389 54.000 -0.012 0.000 0.886 309 D CB 1.096 41.890 40.800 -0.010 0.000 1.120 309 D HN 0.381 nan 8.370 nan 0.000 0.482 310 Q N 2.646 122.465 119.800 0.032 0.000 2.282 310 Q HA 0.218 4.558 4.340 -0.000 0.000 0.206 310 Q C 0.587 176.693 176.000 0.176 0.000 0.878 310 Q CA 0.111 55.963 55.803 0.082 0.000 0.944 310 Q CB 1.250 29.993 28.738 0.008 0.000 1.100 310 Q HN 0.603 nan 8.270 nan 0.000 0.509 311 A N -0.004 122.909 122.820 0.155 0.000 1.999 311 A HA 0.567 4.887 4.320 -0.000 0.000 0.200 311 A C 0.809 178.444 177.584 0.086 0.000 1.363 311 A CA 0.806 52.943 52.037 0.167 0.000 0.844 311 A CB 0.591 19.694 19.000 0.172 0.000 0.954 311 A HN 0.277 nan 8.150 nan 0.000 0.481 312 G N -1.501 107.320 108.800 0.035 0.000 2.592 312 G HA2 0.155 4.115 3.960 -0.000 0.000 0.685 312 G HA3 0.155 4.115 3.960 -0.000 0.000 0.685 312 G C 0.283 175.167 174.900 -0.027 0.000 1.278 312 G CA -0.342 44.763 45.100 0.008 0.000 0.822 312 G HN 0.883 nan 8.290 nan 0.000 0.652 313 V N 1.043 120.937 119.914 -0.033 0.000 2.594 313 V HA 0.024 4.144 4.120 -0.000 0.000 0.253 313 V C 2.991 179.062 176.094 -0.039 0.000 1.069 313 V CA 2.774 65.046 62.300 -0.046 0.000 1.082 313 V CB -1.019 30.769 31.823 -0.058 0.000 0.680 313 V HN 1.601 nan 8.190 nan 0.000 0.469 314 G N 0.001 108.785 108.800 -0.028 0.000 2.498 314 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.219 314 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.219 314 G C 1.619 176.508 174.900 -0.018 0.000 1.119 314 G CA 0.865 45.954 45.100 -0.018 0.000 0.766 314 G HN 0.650 nan 8.290 nan 0.000 0.552 315 A N 0.293 123.081 122.820 -0.053 0.000 2.014 315 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 315 A C 1.280 178.777 177.584 -0.145 0.000 1.163 315 A CA 1.180 53.154 52.037 -0.105 0.000 0.652 315 A CB -0.269 18.521 19.000 -0.350 0.000 0.808 315 A HN 0.452 nan 8.150 nan 0.000 0.449 316 E N -0.629 119.510 120.200 -0.102 0.000 2.238 316 E HA -0.242 4.108 4.350 -0.000 0.000 0.219 316 E C 1.057 177.593 176.600 -0.107 0.000 1.275 316 E CA 0.397 56.775 56.400 -0.037 0.000 0.714 316 E CB -1.866 27.835 29.700 0.003 0.000 1.154 316 E HN 0.912 nan 8.360 nan 0.000 0.363 317 T N -2.383 111.993 114.554 -0.296 0.000 2.778 317 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 317 T C 1.384 176.005 174.700 -0.131 0.000 1.050 317 T CA 1.402 63.240 62.100 -0.437 0.000 1.137 317 T CB 0.028 68.532 68.868 -0.606 0.000 0.860 317 T HN 0.348 nan 8.240 nan 0.000 0.468 318 R N 0.608 120.966 120.500 -0.236 0.000 2.616 318 R HA 0.516 4.856 4.340 -0.000 0.000 0.427 318 R C 0.764 176.928 176.300 -0.228 0.000 1.030 318 R CA 0.056 55.874 56.100 -0.470 0.000 1.133 318 R CB 1.168 30.781 30.300 -1.145 0.000 1.444 318 R HN 0.572 nan 8.270 nan 0.000 0.578 319 G N 1.557 110.332 108.800 -0.043 0.000 2.422 319 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.607 319 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.607 319 G C -2.953 172.037 174.900 0.150 0.000 1.270 319 G CA -1.352 43.776 45.100 0.046 0.000 0.992 319 G HN -0.129 nan 8.290 nan 0.000 0.499 320 P HA 0.369 nan 4.420 nan 0.000 0.267 320 P C 1.116 178.440 177.300 0.040 0.000 1.200 320 P CA 2.340 65.470 63.100 0.049 0.000 0.772 320 P CB 0.716 32.420 31.700 0.007 0.000 0.855 321 G N -0.148 108.617 108.800 -0.059 0.000 2.199 321 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 321 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 321 G C -0.665 174.024 174.900 -0.352 0.000 0.982 321 G CA -0.544 44.419 45.100 -0.228 0.000 0.632 321 G HN 0.409 nan 8.290 nan 0.000 0.529 322 W N 1.176 122.408 121.300 -0.113 0.000 2.361 322 W HA 0.659 5.319 4.660 -0.000 0.000 0.314 322 W C 0.858 177.283 176.519 -0.155 0.000 1.041 322 W CA -0.117 57.154 57.345 -0.123 0.000 1.241 322 W CB 1.465 30.857 29.460 -0.113 0.000 1.279 322 W HN 0.382 nan 8.180 nan 0.000 0.436 323 G N 1.332 110.184 108.800 0.087 0.000 2.630 323 G HA2 0.633 4.593 3.960 -0.000 0.000 0.223 323 G HA3 0.633 4.593 3.960 -0.000 0.000 0.223 323 G C -1.892 173.042 174.900 0.057 0.000 1.434 323 G CA -0.365 44.739 45.100 0.007 0.000 1.057 323 G HN 0.337 nan 8.290 nan 0.000 0.570 324 F N -1.597 118.284 119.950 -0.114 0.000 2.654 324 F HA 0.543 5.070 4.527 -0.000 0.000 0.314 324 F C 0.379 176.187 175.800 0.013 0.000 1.116 324 F CA -0.153 57.807 58.000 -0.066 0.000 1.017 324 F CB 1.384 40.297 39.000 -0.145 0.000 1.285 324 F HN 0.780 nan 8.300 nan 0.000 0.448 325 G N 2.239 110.999 108.800 -0.068 0.000 3.392 325 G HA2 0.154 4.114 3.960 -0.000 0.000 0.188 325 G HA3 0.154 4.114 3.960 -0.000 0.000 0.188 325 G C -0.561 174.475 174.900 0.226 0.000 1.485 325 G CA 0.100 45.196 45.100 -0.006 0.000 0.943 325 G HN 0.502 nan 8.290 nan 0.000 0.627 326 Y N -0.222 120.142 120.300 0.106 0.000 2.481 326 Y HA 0.473 5.023 4.550 -0.000 0.000 0.247 326 Y C 1.700 177.679 175.900 0.133 0.000 1.151 326 Y CA -0.208 57.973 58.100 0.135 0.000 1.238 326 Y CB 0.357 38.867 38.460 0.084 0.000 1.179 326 Y HN 0.092 nan 8.280 nan 0.000 0.524 327 L N -1.759 119.571 121.223 0.179 0.000 3.076 327 L HA 0.275 4.615 4.340 -0.000 0.000 0.271 327 L C 0.420 177.299 176.870 0.016 0.000 1.152 327 L CA 0.382 55.310 54.840 0.147 0.000 0.996 327 L CB 0.574 42.736 42.059 0.172 0.000 1.453 327 L HN 0.031 nan 8.230 nan 0.000 0.571 328 S N -0.955 114.431 115.700 -0.523 0.000 2.631 328 S HA 0.578 5.048 4.470 -0.000 0.000 0.267 328 S C -0.955 172.780 174.600 -1.442 0.000 1.096 328 S CA -0.444 57.263 58.200 -0.823 0.000 0.911 328 S CB 0.658 63.843 63.200 -0.026 0.000 1.175 328 S HN 0.042 nan 8.310 nan 0.000 0.478 329 A N 0.112 122.539 122.820 -0.655 0.000 2.386 329 A HA 0.701 5.021 4.320 -0.000 0.000 0.248 329 A C -0.271 177.342 177.584 0.048 0.000 1.082 329 A CA -0.397 51.513 52.037 -0.212 0.000 0.789 329 A CB 0.128 19.180 19.000 0.087 0.000 1.025 329 A HN 1.396 nan 8.150 nan 0.000 0.490 330 V N 2.754 122.784 119.914 0.194 0.000 2.531 330 V HA 0.260 4.380 4.120 -0.000 0.000 0.301 330 V C -0.058 176.071 176.094 0.058 0.000 1.034 330 V CA -0.513 61.869 62.300 0.137 0.000 0.865 330 V CB 1.635 33.463 31.823 0.007 0.000 0.995 330 V HN 0.814 nan 8.190 nan 0.000 0.424 331 L N 4.080 125.168 121.223 -0.225 0.000 2.385 331 L HA 0.247 4.587 4.340 -0.000 0.000 0.281 331 L C 0.651 177.274 176.870 -0.412 0.000 1.106 331 L CA 0.172 54.561 54.840 -0.752 0.000 0.856 331 L CB 0.738 42.267 42.059 -0.885 0.000 1.186 331 L HN 0.757 nan 8.230 nan 0.000 0.453 332 D N 2.202 122.374 120.400 -0.379 0.000 2.323 332 D HA 0.016 4.656 4.640 -0.000 0.000 0.218 332 D C -0.056 176.093 176.300 -0.251 0.000 0.973 332 D CA 0.795 54.655 54.000 -0.234 0.000 0.890 332 D CB 0.590 41.295 40.800 -0.159 0.000 1.011 332 D HN 0.505 nan 8.370 nan 0.000 0.499 333 D N -0.456 119.744 120.400 -0.334 0.000 2.346 333 D HA 0.201 4.841 4.640 -0.000 0.000 0.255 333 D C -2.000 174.095 176.300 -0.341 0.000 1.276 333 D CA -1.822 52.009 54.000 -0.280 0.000 0.941 333 D CB 2.184 42.861 40.800 -0.204 0.000 1.199 333 D HN -0.283 nan 8.370 nan 0.000 0.537 334 P HA -0.201 nan 4.420 nan 0.000 0.215 334 P C 1.123 178.268 177.300 -0.258 0.000 1.157 334 P CA 1.295 64.192 63.100 -0.339 0.000 0.874 334 P CB 0.295 31.802 31.700 -0.322 0.000 0.790 335 A N -0.067 122.629 122.820 -0.207 0.000 1.858 335 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 335 A C 2.349 179.853 177.584 -0.133 0.000 1.190 335 A CA 2.272 54.216 52.037 -0.155 0.000 0.617 335 A CB -1.668 17.256 19.000 -0.127 0.000 0.827 335 A HN 0.199 nan 8.150 nan 0.000 0.443 336 A N -0.571 122.166 122.820 -0.138 0.000 2.015 336 A HA 0.252 4.572 4.320 -0.000 0.000 0.219 336 A C 2.295 179.824 177.584 -0.093 0.000 1.163 336 A CA 1.793 53.767 52.037 -0.105 0.000 0.646 336 A CB -0.684 18.255 19.000 -0.102 0.000 0.806 336 A HN 1.058 nan 8.150 nan 0.000 0.448 337 A N -1.486 121.247 122.820 -0.145 0.000 2.169 337 A HA 0.412 4.732 4.320 -0.000 0.000 0.212 337 A C 1.693 179.249 177.584 -0.048 0.000 1.153 337 A CA 1.100 53.088 52.037 -0.083 0.000 0.756 337 A CB -0.906 17.942 19.000 -0.254 0.000 0.813 337 A HN 1.885 nan 8.150 nan 0.000 0.471 338 G N -0.744 107.998 108.800 -0.097 0.000 2.298 338 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.287 338 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.287 338 G C 0.125 174.959 174.900 -0.111 0.000 1.075 338 G CA 0.718 45.765 45.100 -0.088 0.000 0.960 338 G HN 1.159 nan 8.290 nan 0.000 0.502 339 T N -0.594 113.856 114.554 -0.174 0.000 2.900 339 T HA 0.737 5.087 4.350 -0.000 0.000 0.303 339 T C -1.623 172.871 174.700 -0.343 0.000 1.142 339 T CA -0.634 61.325 62.100 -0.236 0.000 1.007 339 T CB 2.201 70.936 68.868 -0.222 0.000 1.156 339 T HN -0.037 nan 8.240 nan 0.000 0.490 340 P HA 0.128 nan 4.420 nan 0.000 0.249 340 P C 0.020 176.831 177.300 -0.815 0.000 1.229 340 P CA 0.057 62.792 63.100 -0.608 0.000 0.788 340 P CB 0.336 31.649 31.700 -0.644 0.000 1.072 341 Q N 0.127 119.477 119.800 -0.750 0.000 2.392 341 Q HA 0.088 4.428 4.340 -0.000 0.000 0.262 341 Q C -0.127 175.712 176.000 -0.269 0.000 1.003 341 Q CA 0.016 55.562 55.803 -0.428 0.000 0.888 341 Q CB 0.186 28.698 28.738 -0.376 0.000 1.260 341 Q HN 0.307 nan 8.270 nan 0.000 0.435 342 H N -0.083 118.918 119.070 -0.114 0.000 2.547 342 H HA 0.348 4.904 4.556 -0.000 0.000 0.362 342 H C -0.269 174.981 175.328 -0.131 0.000 1.181 342 H CA -0.132 55.861 56.048 -0.092 0.000 1.376 342 H CB 0.683 30.442 29.762 -0.005 0.000 1.488 342 H HN 0.751 nan 8.280 nan 0.000 0.583 343 A N 0.929 123.713 122.820 -0.060 0.000 2.540 343 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 343 A C 1.499 179.059 177.584 -0.040 0.000 1.061 343 A CA 0.672 52.644 52.037 -0.108 0.000 0.758 343 A CB -0.949 17.996 19.000 -0.092 0.000 0.991 343 A HN 1.159 nan 8.150 nan 0.000 0.502 344 G N 1.744 110.498 108.800 -0.076 0.000 2.175 344 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 344 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 344 G C 0.448 175.368 174.900 0.034 0.000 0.982 344 G CA 0.348 45.440 45.100 -0.015 0.000 0.641 344 G HN 1.173 nan 8.290 nan 0.000 0.527 345 T N 1.732 116.298 114.554 0.019 0.000 2.916 345 T HA 0.469 4.819 4.350 -0.000 0.000 0.303 345 T C 0.793 175.618 174.700 0.207 0.000 1.025 345 T CA 0.268 62.444 62.100 0.127 0.000 1.142 345 T CB 0.795 69.717 68.868 0.091 0.000 0.947 345 T HN 0.348 nan 8.240 nan 0.000 0.544 346 L N 3.736 125.123 121.223 0.274 0.000 2.307 346 L HA 0.618 4.958 4.340 -0.000 0.000 0.282 346 L C 0.196 177.143 176.870 0.129 0.000 1.051 346 L CA -0.471 54.526 54.840 0.262 0.000 0.804 346 L CB 1.180 43.456 42.059 0.362 0.000 1.197 346 L HN 0.620 nan 8.230 nan 0.000 0.431 347 Q N 2.892 122.605 119.800 -0.146 0.000 2.426 347 Q HA 0.418 4.758 4.340 -0.000 0.000 0.278 347 Q C -2.103 173.561 176.000 -0.560 0.000 1.007 347 Q CA -0.590 54.847 55.803 -0.611 0.000 0.850 347 Q CB 2.728 31.273 28.738 -0.322 0.000 1.427 347 Q HN 0.703 nan 8.270 nan 0.000 0.391 348 W N 1.327 121.881 121.300 -1.243 0.000 2.760 348 W HA 0.597 5.257 4.660 -0.000 0.000 0.430 348 W C -1.355 174.843 176.519 -0.535 0.000 1.072 348 W CA 0.049 57.009 57.345 -0.642 0.000 1.181 348 W CB 1.170 30.527 29.460 -0.172 0.000 1.466 348 W HN 0.842 nan 8.180 nan 0.000 0.597 349 G N -0.079 108.466 108.800 -0.424 0.000 2.871 349 G HA2 0.633 4.593 3.960 -0.000 0.000 0.282 349 G HA3 0.633 4.593 3.960 -0.000 0.000 0.282 349 G C -1.250 173.765 174.900 0.192 0.000 1.212 349 G CA 0.059 45.113 45.100 -0.077 0.000 0.812 349 G HN 0.914 nan 8.290 nan 0.000 0.547 350 G N -1.167 107.753 108.800 0.200 0.000 2.761 350 G HA2 0.588 4.548 3.960 -0.000 0.000 0.296 350 G HA3 0.588 4.548 3.960 -0.000 0.000 0.296 350 G C 0.659 175.659 174.900 0.167 0.000 1.416 350 G CA 0.522 45.798 45.100 0.293 0.000 1.105 350 G HN 1.593 nan 8.290 nan 0.000 0.565 351 V N -0.220 119.814 119.914 0.200 0.000 2.982 351 V HA -0.139 3.981 4.120 -0.000 0.000 0.265 351 V C 1.663 177.901 176.094 0.240 0.000 1.122 351 V CA 1.293 63.762 62.300 0.282 0.000 1.143 351 V CB -1.128 30.840 31.823 0.243 0.000 0.726 351 V HN 0.629 nan 8.190 nan 0.000 0.507 352 Y N 2.185 122.532 120.300 0.079 0.000 2.583 352 Y HA 0.450 5.000 4.550 -0.000 0.000 0.293 352 Y C 1.912 177.627 175.900 -0.308 0.000 1.157 352 Y CA 0.411 58.452 58.100 -0.098 0.000 1.315 352 Y CB -0.070 38.352 38.460 -0.063 0.000 1.021 352 Y HN 0.539 nan 8.280 nan 0.000 0.536 353 G N 0.050 108.745 108.800 -0.175 0.000 2.337 353 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.134 353 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.134 353 G C -0.593 174.275 174.900 -0.053 0.000 1.052 353 G CA -0.560 44.493 45.100 -0.078 0.000 0.737 353 G HN 0.529 nan 8.290 nan 0.000 0.485 354 H N -0.569 118.595 119.070 0.156 0.000 2.771 354 H HA 0.864 5.420 4.556 -0.000 0.000 0.367 354 H C -0.162 175.226 175.328 0.100 0.000 1.172 354 H CA -0.526 55.592 56.048 0.116 0.000 1.186 354 H CB 2.408 32.256 29.762 0.142 0.000 1.790 354 H HN 0.321 nan 8.280 nan 0.000 0.556 355 S N 1.763 117.619 115.700 0.261 0.000 2.543 355 S HA 0.392 4.862 4.470 -0.000 0.000 0.273 355 S C -2.086 172.657 174.600 0.237 0.000 1.152 355 S CA -0.806 57.479 58.200 0.142 0.000 0.910 355 S CB 0.846 64.093 63.200 0.079 0.000 1.105 355 S HN 0.720 nan 8.310 nan 0.000 0.465 356 W N 3.653 125.023 121.300 0.118 0.000 3.137 356 W HA 0.767 5.427 4.660 -0.000 0.000 0.324 356 W C -2.499 174.157 176.519 0.228 0.000 1.253 356 W CA -1.368 56.025 57.345 0.080 0.000 1.183 356 W CB 0.631 30.115 29.460 0.040 0.000 1.424 356 W HN 0.771 nan 8.180 nan 0.000 0.566 357 F N -0.180 120.002 119.950 0.387 0.000 2.665 357 F HA 0.680 5.207 4.527 -0.000 0.000 0.308 357 F C -2.285 173.750 175.800 0.391 0.000 1.112 357 F CA -1.581 56.569 58.000 0.249 0.000 0.972 357 F CB 1.010 40.070 39.000 0.100 0.000 1.295 357 F HN 0.141 nan 8.300 nan 0.000 0.440 358 V N 2.609 122.900 119.914 0.628 0.000 2.325 358 V HA 0.241 4.361 4.120 -0.000 0.000 0.280 358 V C -0.878 175.452 176.094 0.394 0.000 1.016 358 V CA -0.448 62.095 62.300 0.405 0.000 0.818 358 V CB 1.084 33.100 31.823 0.322 0.000 1.019 358 V HN 0.817 nan 8.190 nan 0.000 0.434 359 D N 4.649 125.299 120.400 0.417 0.000 2.435 359 D HA 0.162 4.802 4.640 -0.000 0.000 0.230 359 D C 1.424 177.814 176.300 0.150 0.000 1.215 359 D CA -0.126 54.065 54.000 0.318 0.000 0.947 359 D CB 0.623 41.666 40.800 0.406 0.000 1.048 359 D HN 0.426 nan 8.370 nan 0.000 0.512 360 R N 2.345 122.919 120.500 0.123 0.000 2.119 360 R HA -0.215 4.125 4.340 -0.000 0.000 0.246 360 R C 2.050 178.361 176.300 0.019 0.000 1.146 360 R CA 1.770 57.907 56.100 0.062 0.000 0.962 360 R CB -0.210 30.134 30.300 0.074 0.000 0.863 360 R HN 0.436 nan 8.270 nan 0.000 0.442 361 A N 1.099 123.929 122.820 0.017 0.000 1.940 361 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 361 A C 2.058 179.591 177.584 -0.084 0.000 1.176 361 A CA 1.250 53.266 52.037 -0.035 0.000 0.631 361 A CB -0.398 18.558 19.000 -0.073 0.000 0.814 361 A HN 0.216 nan 8.150 nan 0.000 0.446 362 L N -1.288 119.862 121.223 -0.122 0.000 2.591 362 L HA 0.185 4.525 4.340 -0.000 0.000 0.228 362 L C 1.629 178.390 176.870 -0.182 0.000 1.133 362 L CA 0.429 55.203 54.840 -0.109 0.000 0.880 362 L CB -0.349 41.659 42.059 -0.084 0.000 1.033 362 L HN 0.579 nan 8.230 nan 0.000 0.450 363 G N 1.149 109.777 108.800 -0.288 0.000 2.179 363 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 363 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 363 G C 0.096 174.771 174.900 -0.374 0.000 1.010 363 G CA 0.036 44.742 45.100 -0.657 0.000 0.736 363 G HN 0.258 nan 8.290 nan 0.000 0.513 364 L N 0.743 121.875 121.223 -0.151 0.000 2.307 364 L HA 0.606 4.946 4.340 -0.000 0.000 0.282 364 L C 0.248 177.093 176.870 -0.042 0.000 1.051 364 L CA -0.454 54.339 54.840 -0.079 0.000 0.804 364 L CB 1.855 43.909 42.059 -0.007 0.000 1.197 364 L HN 0.113 nan 8.230 nan 0.000 0.431 365 S N 2.297 117.944 115.700 -0.088 0.000 2.596 365 S HA 0.526 4.996 4.470 -0.000 0.000 0.318 365 S C -0.582 173.909 174.600 -0.183 0.000 1.097 365 S CA -0.503 57.644 58.200 -0.089 0.000 1.080 365 S CB 1.685 64.844 63.200 -0.069 0.000 0.991 365 S HN 0.240 nan 8.310 nan 0.000 0.471 366 V N 4.839 124.544 119.914 -0.348 0.000 2.409 366 V HA 0.554 4.674 4.120 -0.000 0.000 0.291 366 V C -0.734 175.227 176.094 -0.222 0.000 1.020 366 V CA -0.693 61.338 62.300 -0.448 0.000 0.848 366 V CB 1.352 32.526 31.823 -1.082 0.000 0.990 366 V HN 0.690 nan 8.190 nan 0.000 0.430 367 L N 6.316 127.493 121.223 -0.078 0.000 2.365 367 L HA 0.804 5.144 4.340 -0.000 0.000 0.273 367 L C -1.198 175.696 176.870 0.040 0.000 1.000 367 L CA -0.546 54.304 54.840 0.017 0.000 0.819 367 L CB 1.750 43.791 42.059 -0.030 0.000 1.284 367 L HN 0.619 nan 8.230 nan 0.000 0.418 368 L N 5.911 127.179 121.223 0.076 0.000 2.415 368 L HA 0.602 4.942 4.340 -0.000 0.000 0.268 368 L C -1.829 175.058 176.870 0.030 0.000 0.984 368 L CA -0.111 54.787 54.840 0.097 0.000 0.853 368 L CB 1.305 43.454 42.059 0.149 0.000 1.215 368 L HN 0.569 nan 8.230 nan 0.000 0.419 369 L N 4.558 125.687 121.223 -0.156 0.000 2.322 369 L HA 0.771 5.110 4.340 -0.000 0.000 0.281 369 L C 0.102 176.825 176.870 -0.245 0.000 1.014 369 L CA -0.408 54.148 54.840 -0.472 0.000 0.815 369 L CB 1.995 43.222 42.059 -1.387 0.000 1.247 369 L HN 0.728 nan 8.230 nan 0.000 0.421 370 T N -1.270 113.424 114.554 0.234 0.000 2.865 370 T HA 0.330 4.680 4.350 -0.000 0.000 0.294 370 T C -0.029 174.980 174.700 0.515 0.000 1.119 370 T CA -0.809 61.517 62.100 0.377 0.000 1.007 370 T CB 1.795 70.822 68.868 0.265 0.000 1.225 370 T HN 0.597 nan 8.240 nan 0.000 0.515 371 N N -0.348 118.614 118.700 0.437 0.000 2.273 371 N HA 0.204 4.944 4.740 -0.000 0.000 0.231 371 N C -0.622 175.052 175.510 0.275 0.000 1.134 371 N CA -0.466 52.804 53.050 0.367 0.000 0.856 371 N CB 0.437 39.146 38.487 0.370 0.000 1.068 371 N HN 0.552 nan 8.380 nan 0.000 0.510 372 T N 0.503 115.168 114.554 0.185 0.000 2.912 372 T HA 0.619 4.969 4.350 -0.000 0.000 0.326 372 T C -0.576 174.128 174.700 0.007 0.000 1.080 372 T CA -0.598 61.563 62.100 0.102 0.000 1.000 372 T CB 1.107 70.026 68.868 0.085 0.000 1.008 372 T HN 0.352 nan 8.240 nan 0.000 0.473 373 A N 2.717 125.460 122.820 -0.128 0.000 2.289 373 A HA 0.603 4.923 4.320 -0.000 0.000 0.298 373 A C -0.307 177.001 177.584 -0.459 0.000 1.208 373 A CA -0.443 51.371 52.037 -0.371 0.000 0.845 373 A CB 0.209 18.785 19.000 -0.706 0.000 1.125 373 A HN 0.913 nan 8.150 nan 0.000 0.517 374 Y N 1.057 121.367 120.300 0.016 0.000 2.555 374 Y HA 0.141 4.691 4.550 -0.000 0.000 0.259 374 Y C 1.772 177.652 175.900 -0.034 0.000 1.179 374 Y CA 0.109 58.195 58.100 -0.022 0.000 1.230 374 Y CB 0.085 38.500 38.460 -0.075 0.000 1.146 374 Y HN 0.857 nan 8.280 nan 0.000 0.526 375 E N 1.235 121.485 120.200 0.083 0.000 2.070 375 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 375 E C 2.440 179.074 176.600 0.055 0.000 1.004 375 E CA 1.831 58.266 56.400 0.058 0.000 0.805 375 E CB -0.538 29.191 29.700 0.048 0.000 0.744 375 E HN 0.457 nan 8.360 nan 0.000 0.451 376 G N -0.358 108.486 108.800 0.074 0.000 2.679 376 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.212 376 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.212 376 G C 1.430 176.379 174.900 0.081 0.000 1.137 376 G CA 0.738 45.895 45.100 0.094 0.000 0.787 376 G HN 0.338 nan 8.290 nan 0.000 0.534 377 M N 0.274 119.911 119.600 0.061 0.000 2.738 377 M HA 0.088 4.568 4.480 -0.000 0.000 0.256 377 M C 1.964 178.236 176.300 -0.047 0.000 1.253 377 M CA 1.715 57.029 55.300 0.024 0.000 1.223 377 M CB 0.656 33.288 32.600 0.054 0.000 1.263 377 M HN 0.192 nan 8.290 nan 0.000 0.521 378 S N -1.000 114.661 115.700 -0.065 0.000 2.787 378 S HA 0.353 4.823 4.470 -0.000 0.000 0.255 378 S C 0.847 175.403 174.600 -0.073 0.000 1.051 378 S CA -0.136 57.992 58.200 -0.120 0.000 1.124 378 S CB -0.025 62.986 63.200 -0.314 0.000 1.104 378 S HN 0.449 nan 8.310 nan 0.000 0.623 379 G N 2.661 111.444 108.800 -0.028 0.000 2.716 379 G HA2 0.393 4.353 3.960 -0.000 0.000 0.251 379 G HA3 0.393 4.353 3.960 -0.000 0.000 0.251 379 G C -1.683 173.206 174.900 -0.018 0.000 1.224 379 G CA -1.091 44.002 45.100 -0.013 0.000 0.891 379 G HN 0.108 nan 8.290 nan 0.000 0.561 380 P HA -0.128 nan 4.420 nan 0.000 0.217 380 P C 2.153 179.433 177.300 -0.032 0.000 1.148 380 P CA 0.194 63.281 63.100 -0.021 0.000 0.828 380 P CB 0.128 31.818 31.700 -0.016 0.000 0.783 381 L N 0.167 121.369 121.223 -0.035 0.000 2.021 381 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 381 L C 2.100 178.925 176.870 -0.074 0.000 1.074 381 L CA 3.233 58.031 54.840 -0.069 0.000 0.760 381 L CB -1.660 40.371 42.059 -0.046 0.000 0.889 381 L HN 0.179 nan 8.230 nan 0.000 0.433 382 T N -2.241 112.295 114.554 -0.029 0.000 2.788 382 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 382 T C 2.057 176.764 174.700 0.012 0.000 1.044 382 T CA 1.193 63.294 62.100 0.001 0.000 1.139 382 T CB -0.413 68.460 68.868 0.009 0.000 0.867 382 T HN 0.225 nan 8.240 nan 0.000 0.454 383 I N 2.318 122.884 120.570 -0.008 0.000 2.202 383 I HA -0.005 4.165 4.170 -0.000 0.000 0.242 383 I C 3.172 179.289 176.117 -0.000 0.000 1.091 383 I CA 1.314 62.613 61.300 -0.003 0.000 1.368 383 I CB -1.637 36.355 38.000 -0.015 0.000 1.058 383 I HN 0.397 nan 8.210 nan 0.000 0.410 384 A N 0.768 123.571 122.820 -0.029 0.000 1.933 384 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 384 A C 2.371 179.921 177.584 -0.058 0.000 1.175 384 A CA 1.184 53.194 52.037 -0.045 0.000 0.628 384 A CB -0.671 18.284 19.000 -0.075 0.000 0.814 384 A HN 0.393 nan 8.150 nan 0.000 0.444 385 L N -1.247 119.926 121.223 -0.083 0.000 2.109 385 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 385 L C 2.781 179.677 176.870 0.043 0.000 1.086 385 L CA 1.395 56.177 54.840 -0.097 0.000 0.760 385 L CB -0.459 41.507 42.059 -0.155 0.000 0.910 385 L HN 0.473 nan 8.230 nan 0.000 0.437 386 R N 0.455 121.037 120.500 0.137 0.000 2.073 386 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 386 R C 1.719 178.213 176.300 0.323 0.000 1.134 386 R CA 1.949 58.233 56.100 0.306 0.000 0.952 386 R CB -0.140 30.299 30.300 0.231 0.000 0.850 386 R HN 0.294 nan 8.270 nan 0.000 0.433 387 D N 0.457 120.958 120.400 0.168 0.000 2.144 387 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 387 D C 1.707 178.086 176.300 0.132 0.000 0.978 387 D CA 1.402 55.492 54.000 0.150 0.000 0.833 387 D CB -0.214 40.620 40.800 0.057 0.000 0.961 387 D HN 0.393 nan 8.370 nan 0.000 0.470 388 A N 0.508 123.364 122.820 0.060 0.000 1.969 388 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 388 A C 2.399 179.978 177.584 -0.007 0.000 1.169 388 A CA 0.877 52.920 52.037 0.009 0.000 0.635 388 A CB -0.530 18.441 19.000 -0.049 0.000 0.810 388 A HN 0.155 nan 8.150 nan 0.000 0.445 389 V N -1.738 118.169 119.914 -0.013 0.000 2.809 389 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 389 V C 2.019 177.954 176.094 -0.265 0.000 1.080 389 V CA 1.505 63.715 62.300 -0.151 0.000 1.102 389 V CB -0.935 30.779 31.823 -0.182 0.000 0.705 389 V HN 0.695 nan 8.190 nan 0.000 0.475 390 Y N -0.099 120.237 120.300 0.060 0.000 2.509 390 Y HA 0.558 5.108 4.550 -0.000 0.000 0.270 390 Y C 1.783 177.704 175.900 0.035 0.000 1.103 390 Y CA -0.172 57.962 58.100 0.057 0.000 1.278 390 Y CB -0.588 37.903 38.460 0.052 0.000 1.087 390 Y HN 0.170 nan 8.280 nan 0.000 0.542 391 A N 0.000 122.898 122.820 0.129 0.000 2.254 391 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 391 A CA 0.000 52.083 52.037 0.077 0.000 0.836 391 A CB 0.000 19.024 19.000 0.040 0.000 0.831 391 A HN 0.000 nan 8.150 nan 0.000 0.486