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 1s2v_1_B DATA FIRST_RESID 4 DATA SEQUENCE KVKKTTQLKQ MLNSKDLEFI MEAHNGLSAR IVQEAGFKGI WGSGLSVSAQ DATA SEQUENCE LGVRDSNEAS WTQVVEVLEF MSDASDVPIL LDADTGYGNF NNARRLVRKL DATA SEQUENCE EDRGVAGACL EDKLFPKTNS XXXGRAQPLA DIEEFALKIK ACKDSQTDPD DATA SEQUENCE FCIVARVEAF IAGWGLDEAL KRAEAYRNAG ADAILMHSKK ADPSDIEAFM DATA SEQUENCE KAWNNQGPVV IVPTKYYKTP TDHFRDMGVS MVIWANHNLR ASVSAIQQTT DATA SEQUENCE KQIYDDQSLV NVEDKIVSVK EIFRLQRDDE LVQAEDKYLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.616 176.600 0.026 0.000 0.988 4 K CA 0.000 56.302 56.287 0.025 0.000 0.838 4 K CB 0.000 32.515 32.500 0.025 0.000 1.064 5 V N 2.644 122.575 119.914 0.028 0.000 2.555 5 V HA 0.391 4.510 4.120 -0.001 0.000 0.286 5 V C -0.261 175.853 176.094 0.032 0.000 1.044 5 V CA -0.652 61.665 62.300 0.029 0.000 1.026 5 V CB 0.559 32.399 31.823 0.029 0.000 0.981 5 V HN 0.339 nan 8.190 nan 0.000 0.480 6 K N 3.437 123.857 120.400 0.033 0.000 2.586 6 K HA -0.023 4.296 4.320 -0.001 0.000 0.280 6 K C 1.076 177.701 176.600 0.041 0.000 0.972 6 K CA 0.292 56.602 56.287 0.039 0.000 1.040 6 K CB 0.526 33.052 32.500 0.043 0.000 0.870 6 K HN 0.689 nan 8.250 nan 0.000 0.497 7 K N 1.051 121.478 120.400 0.045 0.000 2.097 7 K HA -0.161 4.158 4.320 -0.001 0.000 0.206 7 K C 2.165 178.786 176.600 0.035 0.000 1.049 7 K CA 2.021 58.334 56.287 0.043 0.000 0.933 7 K CB -0.258 32.270 32.500 0.047 0.000 0.717 7 K HN 0.779 nan 8.250 nan 0.000 0.442 8 T N -0.736 113.847 114.554 0.049 0.000 2.708 8 T HA -0.153 4.197 4.350 -0.001 0.000 0.266 8 T C 2.113 176.825 174.700 0.020 0.000 1.037 8 T CA 1.861 63.983 62.100 0.037 0.000 1.146 8 T CB -0.811 68.119 68.868 0.104 0.000 0.865 8 T HN 0.051 nan 8.240 nan 0.000 0.435 9 T N 2.174 116.748 114.554 0.033 0.000 2.788 9 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 9 T C 2.200 176.913 174.700 0.021 0.000 1.044 9 T CA 1.414 63.531 62.100 0.027 0.000 1.139 9 T CB -0.368 68.519 68.868 0.031 0.000 0.867 9 T HN 0.554 nan 8.240 nan 0.000 0.454 10 Q N 0.153 119.968 119.800 0.024 0.000 2.124 10 Q HA -0.029 4.311 4.340 -0.001 0.000 0.202 10 Q C 2.316 178.327 176.000 0.018 0.000 0.977 10 Q CA 0.996 56.815 55.803 0.026 0.000 0.850 10 Q CB -0.310 28.449 28.738 0.035 0.000 0.901 10 Q HN 0.337 nan 8.270 nan 0.000 0.429 11 L N 1.079 122.306 121.223 0.005 0.000 2.109 11 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 11 L C 2.148 179.007 176.870 -0.019 0.000 1.086 11 L CA 1.762 56.594 54.840 -0.012 0.000 0.760 11 L CB -0.258 41.776 42.059 -0.042 0.000 0.910 11 L HN -0.021 nan 8.230 nan 0.000 0.437 12 K N -1.012 119.379 120.400 -0.015 0.000 2.097 12 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 12 K C 2.084 178.684 176.600 0.001 0.000 1.050 12 K CA 1.544 57.826 56.287 -0.009 0.000 0.938 12 K CB -0.030 32.471 32.500 0.002 0.000 0.718 12 K HN 0.500 nan 8.250 nan 0.000 0.442 13 Q N -0.204 119.600 119.800 0.007 0.000 2.119 13 Q HA -0.111 4.229 4.340 -0.001 0.000 0.201 13 Q C 2.082 178.085 176.000 0.005 0.000 0.972 13 Q CA 1.529 57.338 55.803 0.010 0.000 0.847 13 Q CB -0.004 28.743 28.738 0.016 0.000 0.903 13 Q HN 0.362 nan 8.270 nan 0.000 0.433 14 M N 0.079 119.680 119.600 0.002 0.000 2.132 14 M HA -0.156 4.323 4.480 -0.001 0.000 0.263 14 M C 2.028 178.313 176.300 -0.026 0.000 1.065 14 M CA 1.339 56.634 55.300 -0.009 0.000 1.122 14 M CB -0.148 32.449 32.600 -0.006 0.000 1.365 14 M HN 0.193 nan 8.290 nan 0.000 0.411 15 L N -0.022 121.187 121.223 -0.023 0.000 2.046 15 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 15 L C 1.743 178.610 176.870 -0.004 0.000 1.077 15 L CA 0.897 55.723 54.840 -0.023 0.000 0.747 15 L CB -0.708 41.340 42.059 -0.017 0.000 0.896 15 L HN 0.380 nan 8.230 nan 0.000 0.432 16 N N -0.317 118.386 118.700 0.004 0.000 2.398 16 N HA -0.006 4.733 4.740 -0.001 0.000 0.188 16 N C 0.733 176.249 175.510 0.010 0.000 1.122 16 N CA 0.267 53.326 53.050 0.014 0.000 0.866 16 N CB 0.116 38.613 38.487 0.017 0.000 0.970 16 N HN 0.288 nan 8.380 nan 0.000 0.462 17 S N 0.242 115.943 115.700 0.002 0.000 2.593 17 S HA 0.190 4.659 4.470 -0.001 0.000 0.269 17 S C 1.215 175.817 174.600 0.002 0.000 1.334 17 S CA -0.344 57.858 58.200 0.003 0.000 1.015 17 S CB 1.660 64.861 63.200 0.001 0.000 0.912 17 S HN 0.021 nan 8.310 nan 0.000 0.541 18 K N 0.566 120.971 120.400 0.008 0.000 2.062 18 K HA 0.001 4.320 4.320 -0.001 0.000 0.205 18 K C 0.021 176.625 176.600 0.007 0.000 1.051 18 K CA 0.942 57.236 56.287 0.012 0.000 0.941 18 K CB -0.246 32.264 32.500 0.017 0.000 0.719 18 K HN 0.667 nan 8.250 nan 0.000 0.440 19 D N 1.092 121.494 120.400 0.004 0.000 2.360 19 D HA 0.014 4.653 4.640 -0.001 0.000 0.242 19 D C -0.152 176.118 176.300 -0.050 0.000 1.184 19 D CA -0.322 53.678 54.000 0.000 0.000 0.930 19 D CB 0.632 41.444 40.800 0.020 0.000 1.161 19 D HN -0.146 nan 8.370 nan 0.000 0.447 20 L N 1.645 122.823 121.223 -0.075 0.000 2.361 20 L HA 0.084 4.424 4.340 -0.001 0.000 0.278 20 L C 0.113 176.729 176.870 -0.423 0.000 1.113 20 L CA 0.329 55.026 54.840 -0.238 0.000 0.849 20 L CB 0.084 42.017 42.059 -0.210 0.000 1.155 20 L HN 0.139 nan 8.230 nan 0.000 0.452 21 E N 4.721 124.644 120.200 -0.462 0.000 2.212 21 E HA 0.418 4.767 4.350 -0.001 0.000 0.270 21 E C -1.318 174.899 176.600 -0.638 0.000 0.956 21 E CA -0.408 55.764 56.400 -0.381 0.000 0.825 21 E CB 1.706 31.317 29.700 -0.149 0.000 1.167 21 E HN 0.404 nan 8.360 nan 0.000 0.400 22 F N 1.103 121.079 119.950 0.043 0.000 2.551 22 F HA 0.499 5.026 4.527 -0.001 0.000 0.316 22 F C 0.337 176.211 175.800 0.123 0.000 1.089 22 F CA -1.060 56.958 58.000 0.030 0.000 0.915 22 F CB 1.332 40.528 39.000 0.328 0.000 1.186 22 F HN 0.270 nan 8.300 nan 0.000 0.456 23 I N 0.829 121.447 120.570 0.079 0.000 2.689 23 I HA 0.786 4.956 4.170 -0.001 0.000 0.299 23 I C -1.264 174.773 176.117 -0.134 0.000 1.059 23 I CA -1.117 60.210 61.300 0.046 0.000 1.055 23 I CB 2.282 40.301 38.000 0.031 0.000 1.243 23 I HN 0.612 nan 8.210 nan 0.000 0.425 24 M N 4.189 123.590 119.600 -0.332 0.000 2.436 24 M HA 0.395 4.874 4.480 -0.001 0.000 0.331 24 M C -0.286 175.982 176.300 -0.053 0.000 1.135 24 M CA -0.118 54.948 55.300 -0.390 0.000 0.987 24 M CB 1.587 33.441 32.600 -1.243 0.000 1.687 24 M HN 0.729 nan 8.290 nan 0.000 0.445 25 E N 2.843 123.109 120.200 0.110 0.000 2.384 25 E HA 0.479 4.828 4.350 -0.001 0.000 0.266 25 E C -1.702 174.944 176.600 0.077 0.000 1.012 25 E CA 0.143 56.664 56.400 0.202 0.000 0.901 25 E CB 0.609 30.484 29.700 0.292 0.000 0.967 25 E HN 0.769 nan 8.360 nan 0.000 0.435 26 A N 4.396 127.237 122.820 0.034 0.000 2.539 26 A HA 0.453 4.773 4.320 -0.001 0.000 0.296 26 A C -0.390 177.149 177.584 -0.076 0.000 1.073 26 A CA -0.545 51.429 52.037 -0.105 0.000 0.700 26 A CB 1.116 20.060 19.000 -0.093 0.000 1.296 26 A HN 0.879 nan 8.150 nan 0.000 0.405 27 H N -0.227 118.842 119.070 -0.002 0.000 3.398 27 H HA 0.246 4.802 4.556 -0.001 0.000 0.260 27 H C -0.386 174.937 175.328 -0.008 0.000 1.189 27 H CA 0.292 56.330 56.048 -0.016 0.000 1.145 27 H CB 0.194 29.947 29.762 -0.016 0.000 1.599 27 H HN 0.698 nan 8.280 nan 0.000 0.615 28 N N -0.670 117.957 118.700 -0.122 0.000 3.116 28 N HA 0.151 4.891 4.740 -0.001 0.000 0.244 28 N C 1.074 176.555 175.510 -0.050 0.000 1.485 28 N CA -0.139 52.890 53.050 -0.035 0.000 0.884 28 N CB 0.497 38.987 38.487 0.006 0.000 1.415 28 N HN -0.046 nan 8.380 nan 0.000 0.524 29 G N -0.055 108.747 108.800 0.002 0.000 2.476 29 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.218 29 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.218 29 G C 1.054 175.953 174.900 -0.001 0.000 1.164 29 G CA 1.368 46.490 45.100 0.037 0.000 0.768 29 G HN 0.492 nan 8.290 nan 0.000 0.560 30 L N 1.831 123.036 121.223 -0.030 0.000 1.989 30 L HA -0.084 4.255 4.340 -0.001 0.000 0.211 30 L C 3.159 179.999 176.870 -0.050 0.000 1.071 30 L CA 2.788 57.611 54.840 -0.029 0.000 0.749 30 L CB -0.799 41.242 42.059 -0.029 0.000 0.890 30 L HN 0.370 nan 8.230 nan 0.000 0.431 31 S N -1.033 114.593 115.700 -0.124 0.000 2.453 31 S HA -0.015 4.454 4.470 -0.001 0.000 0.231 31 S C 2.012 176.554 174.600 -0.098 0.000 1.005 31 S CA 0.614 58.718 58.200 -0.161 0.000 0.949 31 S CB -0.720 62.229 63.200 -0.418 0.000 0.774 31 S HN 0.471 nan 8.310 nan 0.000 0.510 32 A N 2.025 124.803 122.820 -0.070 0.000 1.968 32 A HA 0.127 4.447 4.320 -0.001 0.000 0.217 32 A C 2.282 179.877 177.584 0.018 0.000 1.169 32 A CA 1.152 53.178 52.037 -0.019 0.000 0.638 32 A CB -0.571 18.429 19.000 -0.000 0.000 0.812 32 A HN 0.572 nan 8.150 nan 0.000 0.446 33 R N -0.236 120.275 120.500 0.019 0.000 2.093 33 R HA 0.066 4.406 4.340 -0.001 0.000 0.224 33 R C 1.796 178.122 176.300 0.045 0.000 1.101 33 R CA 1.209 57.332 56.100 0.038 0.000 0.979 33 R CB -0.345 29.977 30.300 0.037 0.000 0.877 33 R HN 0.505 nan 8.270 nan 0.000 0.441 34 I N 0.202 120.791 120.570 0.032 0.000 2.226 34 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 34 I C 2.127 178.294 176.117 0.082 0.000 1.100 34 I CA 1.060 62.387 61.300 0.045 0.000 1.374 34 I CB -0.182 37.834 38.000 0.026 0.000 1.057 34 I HN 0.052 nan 8.210 nan 0.000 0.413 35 V N 0.607 120.570 119.914 0.081 0.000 2.343 35 V HA -0.335 3.784 4.120 -0.001 0.000 0.247 35 V C 2.501 178.716 176.094 0.202 0.000 1.051 35 V CA 2.261 64.650 62.300 0.149 0.000 1.036 35 V CB -0.642 31.218 31.823 0.061 0.000 0.654 35 V HN 0.494 nan 8.190 nan 0.000 0.451 36 Q N 0.361 120.241 119.800 0.133 0.000 2.050 36 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 36 Q C 2.110 178.177 176.000 0.112 0.000 0.980 36 Q CA 2.259 58.137 55.803 0.125 0.000 0.840 36 Q CB -0.292 28.498 28.738 0.087 0.000 0.898 36 Q HN 0.691 nan 8.270 nan 0.000 0.424 37 E N -0.383 119.872 120.200 0.091 0.000 2.110 37 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 37 E C 1.812 178.454 176.600 0.070 0.000 0.988 37 E CA 0.877 57.319 56.400 0.070 0.000 0.804 37 E CB -0.207 29.527 29.700 0.057 0.000 0.745 37 E HN 0.540 nan 8.360 nan 0.000 0.458 38 A N -0.083 122.799 122.820 0.104 0.000 2.121 38 A HA 0.039 4.358 4.320 -0.001 0.000 0.218 38 A C 1.896 179.489 177.584 0.016 0.000 1.154 38 A CA 1.452 53.538 52.037 0.083 0.000 0.679 38 A CB -0.254 18.847 19.000 0.169 0.000 0.795 38 A HN 0.415 nan 8.150 nan 0.000 0.458 39 G N -2.728 106.101 108.800 0.049 0.000 2.253 39 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.209 39 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.209 39 G C 0.116 175.021 174.900 0.008 0.000 0.997 39 G CA -0.167 44.928 45.100 -0.008 0.000 0.640 39 G HN 0.285 nan 8.290 nan 0.000 0.496 40 F N 1.784 121.782 119.950 0.080 0.000 2.642 40 F HA 0.253 4.780 4.527 -0.000 0.000 0.371 40 F C 1.873 177.734 175.800 0.102 0.000 1.120 40 F CA 1.289 59.356 58.000 0.113 0.000 1.331 40 F CB 0.659 39.738 39.000 0.132 0.000 1.044 40 F HN 0.003 nan 8.300 nan 0.000 0.594 41 K N 1.461 122.057 120.400 0.326 0.000 2.444 41 K HA 0.271 4.590 4.320 -0.001 0.000 0.193 41 K C 0.639 177.350 176.600 0.186 0.000 1.024 41 K CA 0.347 56.758 56.287 0.207 0.000 1.077 41 K CB 0.186 32.782 32.500 0.162 0.000 0.833 41 K HN 0.790 nan 8.250 nan 0.000 0.517 42 G N 0.481 109.420 108.800 0.231 0.000 2.601 42 G HA2 0.505 4.465 3.960 -0.001 0.000 0.291 42 G HA3 0.505 4.465 3.960 -0.001 0.000 0.291 42 G C -1.674 173.298 174.900 0.122 0.000 1.456 42 G CA -0.788 44.401 45.100 0.148 0.000 0.804 42 G HN -0.023 nan 8.290 nan 0.000 0.499 43 I N 0.504 121.130 120.570 0.093 0.000 2.608 43 I HA 0.423 4.593 4.170 -0.001 0.000 0.295 43 I C -0.757 175.450 176.117 0.150 0.000 1.049 43 I CA -0.775 60.572 61.300 0.079 0.000 1.063 43 I CB 2.630 40.659 38.000 0.049 0.000 1.248 43 I HN 0.632 nan 8.210 nan 0.000 0.424 44 W N 6.072 127.337 121.300 -0.059 0.000 2.349 44 W HA 0.536 5.195 4.660 -0.000 0.000 0.309 44 W C -0.268 176.238 176.519 -0.021 0.000 1.083 44 W CA -0.909 56.406 57.345 -0.050 0.000 1.224 44 W CB 1.786 31.208 29.460 -0.064 0.000 1.256 44 W HN 0.634 nan 8.180 nan 0.000 0.461 45 G N 3.850 112.358 108.800 -0.485 0.000 2.915 45 G HA2 0.113 4.073 3.960 -0.001 0.000 0.298 45 G HA3 0.113 4.073 3.960 -0.001 0.000 0.298 45 G C 0.019 174.417 174.900 -0.836 0.000 0.837 45 G CA -0.336 44.480 45.100 -0.474 0.000 1.752 45 G HN 0.492 nan 8.290 nan 0.000 0.526 46 S N 1.572 116.839 115.700 -0.722 0.000 2.544 46 S HA 0.248 4.717 4.470 -0.001 0.000 0.290 46 S C 1.890 176.340 174.600 -0.249 0.000 1.276 46 S CA 0.234 58.113 58.200 -0.535 0.000 1.075 46 S CB 0.788 63.971 63.200 -0.028 0.000 0.849 46 S HN 0.551 nan 8.310 nan 0.000 0.494 47 G N 4.585 113.266 108.800 -0.200 0.000 2.421 47 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.216 47 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.216 47 G C 1.230 176.122 174.900 -0.013 0.000 1.171 47 G CA 0.939 45.995 45.100 -0.073 0.000 0.775 47 G HN 0.713 nan 8.290 nan 0.000 0.543 48 L N 1.216 122.447 121.223 0.013 0.000 2.017 48 L HA 0.003 4.343 4.340 -0.001 0.000 0.208 48 L C 2.855 179.720 176.870 -0.009 0.000 1.073 48 L CA 2.519 57.369 54.840 0.017 0.000 0.745 48 L CB -0.777 41.303 42.059 0.035 0.000 0.894 48 L HN 0.166 nan 8.230 nan 0.000 0.432 49 S N -1.156 114.541 115.700 -0.005 0.000 2.382 49 S HA -0.134 4.336 4.470 -0.001 0.000 0.228 49 S C 1.942 176.528 174.600 -0.023 0.000 1.027 49 S CA 1.328 59.511 58.200 -0.029 0.000 0.991 49 S CB -0.378 62.862 63.200 0.067 0.000 0.823 49 S HN 0.354 nan 8.310 nan 0.000 0.469 50 V N 2.257 122.175 119.914 0.005 0.000 2.283 50 V HA -0.135 3.985 4.120 -0.001 0.000 0.243 50 V C 2.683 178.778 176.094 0.001 0.000 1.039 50 V CA 1.891 64.203 62.300 0.019 0.000 1.016 50 V CB -0.999 30.828 31.823 0.007 0.000 0.650 50 V HN 0.674 nan 8.190 nan 0.000 0.449 51 S N 1.272 116.972 115.700 0.000 0.000 2.382 51 S HA -0.154 4.315 4.470 -0.001 0.000 0.228 51 S C 2.105 176.695 174.600 -0.016 0.000 1.027 51 S CA 1.369 59.571 58.200 0.003 0.000 0.991 51 S CB -0.615 62.597 63.200 0.021 0.000 0.823 51 S HN 0.557 nan 8.310 nan 0.000 0.469 52 A N 2.555 125.353 122.820 -0.036 0.000 1.902 52 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 52 A C 2.359 179.895 177.584 -0.079 0.000 1.181 52 A CA 1.711 53.713 52.037 -0.059 0.000 0.623 52 A CB -0.953 17.999 19.000 -0.080 0.000 0.818 52 A HN 0.807 nan 8.150 nan 0.000 0.443 53 Q N 0.059 119.799 119.800 -0.100 0.000 2.167 53 Q HA 0.013 4.353 4.340 -0.001 0.000 0.202 53 Q C 1.602 177.577 176.000 -0.043 0.000 0.970 53 Q CA 1.730 57.478 55.803 -0.091 0.000 0.855 53 Q CB -0.710 27.988 28.738 -0.066 0.000 0.911 53 Q HN 0.553 nan 8.270 nan 0.000 0.438 54 L N -0.092 121.114 121.223 -0.028 0.000 2.465 54 L HA 0.116 4.455 4.340 -0.001 0.000 0.224 54 L C 1.220 178.077 176.870 -0.023 0.000 1.145 54 L CA 0.650 55.478 54.840 -0.020 0.000 0.834 54 L CB -0.497 41.555 42.059 -0.012 0.000 0.944 54 L HN 0.712 nan 8.230 nan 0.000 0.451 55 G N 0.206 108.989 108.800 -0.028 0.000 2.141 55 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.242 55 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.242 55 G C 0.233 175.123 174.900 -0.016 0.000 0.982 55 G CA 0.228 45.313 45.100 -0.026 0.000 0.662 55 G HN 0.274 nan 8.290 nan 0.000 0.527 56 V N -3.526 116.382 119.914 -0.010 0.000 3.284 56 V HA 0.996 5.115 4.120 -0.001 0.000 0.309 56 V C 0.602 176.699 176.094 0.006 0.000 1.190 56 V CA -1.725 60.575 62.300 0.000 0.000 1.038 56 V CB 1.234 33.061 31.823 0.007 0.000 1.198 56 V HN 0.243 nan 8.190 nan 0.000 0.465 57 R N 0.411 120.921 120.500 0.017 0.000 2.528 57 R HA 0.408 4.748 4.340 -0.001 0.000 0.271 57 R C -0.216 176.106 176.300 0.037 0.000 1.056 57 R CA -0.325 55.789 56.100 0.023 0.000 1.117 57 R CB 0.001 30.318 30.300 0.029 0.000 1.085 57 R HN 0.886 nan 8.270 nan 0.000 0.530 58 D N -0.073 120.350 120.400 0.039 0.000 2.801 58 D HA 0.054 4.694 4.640 -0.001 0.000 0.232 58 D C -0.565 175.778 176.300 0.072 0.000 1.128 58 D CA 0.340 54.371 54.000 0.052 0.000 1.003 58 D CB -0.128 40.699 40.800 0.044 0.000 1.110 58 D HN 0.321 nan 8.370 nan 0.000 0.477 59 S N 2.111 117.864 115.700 0.088 0.000 2.686 59 S HA 0.154 4.624 4.470 -0.001 0.000 0.223 59 S C 0.063 174.759 174.600 0.161 0.000 0.885 59 S CA -0.556 57.713 58.200 0.115 0.000 1.115 59 S CB -0.835 62.418 63.200 0.087 0.000 1.459 59 S HN 0.477 nan 8.310 nan 0.000 0.444 60 N N 1.195 120.009 118.700 0.190 0.000 2.776 60 N HA -0.142 4.597 4.740 -0.001 0.000 0.249 60 N C 0.543 176.161 175.510 0.180 0.000 1.111 60 N CA 1.240 54.442 53.050 0.253 0.000 0.711 60 N CB -0.720 38.020 38.487 0.422 0.000 1.065 60 N HN 0.741 nan 8.380 nan 0.000 0.556 61 E N 0.013 120.282 120.200 0.115 0.000 2.060 61 E HA 0.102 4.452 4.350 -0.001 0.000 0.189 61 E C 1.036 177.667 176.600 0.052 0.000 0.974 61 E CA 0.815 57.259 56.400 0.074 0.000 0.808 61 E CB 0.046 29.776 29.700 0.050 0.000 0.768 61 E HN 0.466 nan 8.360 nan 0.000 0.453 62 A N 2.010 124.854 122.820 0.039 0.000 2.445 62 A HA 0.197 4.517 4.320 -0.001 0.000 0.242 62 A C 0.511 178.089 177.584 -0.011 0.000 1.075 62 A CA -0.191 51.847 52.037 0.002 0.000 0.777 62 A CB 0.279 19.277 19.000 -0.005 0.000 1.013 62 A HN 0.212 nan 8.150 nan 0.000 0.493 63 S N 2.299 117.958 115.700 -0.068 0.000 2.614 63 S HA 0.173 4.642 4.470 -0.001 0.000 0.265 63 S C 1.131 175.603 174.600 -0.214 0.000 1.303 63 S CA 0.042 58.171 58.200 -0.118 0.000 1.000 63 S CB 0.323 63.400 63.200 -0.205 0.000 0.935 63 S HN 1.144 nan 8.310 nan 0.000 0.551 64 W N 0.979 122.021 121.300 -0.430 0.000 2.392 64 W HA -0.105 4.555 4.660 -0.001 0.000 0.279 64 W C 1.333 177.623 176.519 -0.380 0.000 1.225 64 W CA 1.490 58.388 57.345 -0.746 0.000 1.233 64 W CB -1.948 26.877 29.460 -1.057 0.000 1.122 64 W HN 0.816 nan 8.180 nan 0.000 0.561 65 T N -1.311 112.718 114.554 -0.874 0.000 3.043 65 T HA -0.072 4.277 4.350 -0.001 0.000 0.263 65 T C 1.727 176.219 174.700 -0.347 0.000 1.094 65 T CA 1.138 62.791 62.100 -0.746 0.000 1.127 65 T CB -0.421 67.892 68.868 -0.926 0.000 0.905 65 T HN 0.270 nan 8.240 nan 0.000 0.490 66 Q N 0.463 120.105 119.800 -0.265 0.000 2.172 66 Q HA 0.046 4.386 4.340 -0.001 0.000 0.200 66 Q C 2.476 178.431 176.000 -0.075 0.000 0.964 66 Q CA 0.955 56.677 55.803 -0.136 0.000 0.855 66 Q CB -0.211 28.463 28.738 -0.105 0.000 0.918 66 Q HN 0.416 nan 8.270 nan 0.000 0.444 67 V N 0.048 119.911 119.914 -0.085 0.000 2.283 67 V HA -0.211 3.909 4.120 -0.001 0.000 0.243 67 V C 2.206 178.299 176.094 -0.001 0.000 1.039 67 V CA 1.296 63.581 62.300 -0.025 0.000 1.016 67 V CB -0.369 31.444 31.823 -0.017 0.000 0.650 67 V HN 0.165 nan 8.190 nan 0.000 0.449 68 V N 0.122 120.030 119.914 -0.011 0.000 2.324 68 V HA -0.347 3.773 4.120 -0.001 0.000 0.250 68 V C 2.461 178.551 176.094 -0.007 0.000 1.060 68 V CA 2.513 64.826 62.300 0.023 0.000 1.042 68 V CB -0.597 31.256 31.823 0.050 0.000 0.650 68 V HN 0.698 nan 8.190 nan 0.000 0.450 69 E N -0.186 119.995 120.200 -0.032 0.000 2.077 69 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 69 E C 2.182 178.860 176.600 0.130 0.000 0.989 69 E CA 1.506 57.906 56.400 -0.001 0.000 0.800 69 E CB -0.040 29.666 29.700 0.009 0.000 0.746 69 E HN 0.412 nan 8.360 nan 0.000 0.452 70 V N 0.772 120.764 119.914 0.131 0.000 2.343 70 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 70 V C 2.255 178.447 176.094 0.163 0.000 1.051 70 V CA 1.309 63.716 62.300 0.179 0.000 1.036 70 V CB -0.355 31.519 31.823 0.086 0.000 0.654 70 V HN 0.308 nan 8.190 nan 0.000 0.451 71 L N -0.193 121.080 121.223 0.083 0.000 2.201 71 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 71 L C 2.404 179.296 176.870 0.038 0.000 1.105 71 L CA 1.754 56.626 54.840 0.053 0.000 0.775 71 L CB -0.760 41.319 42.059 0.035 0.000 0.913 71 L HN 0.437 nan 8.230 nan 0.000 0.440 72 E N -0.817 119.380 120.200 -0.005 0.000 2.072 72 E HA -0.231 4.119 4.350 -0.001 0.000 0.191 72 E C 2.178 178.700 176.600 -0.131 0.000 0.985 72 E CA 1.143 57.479 56.400 -0.108 0.000 0.801 72 E CB -0.081 29.481 29.700 -0.230 0.000 0.750 72 E HN 0.392 nan 8.360 nan 0.000 0.452 73 F N 0.571 120.518 119.950 -0.006 0.000 2.146 73 F HA -0.117 4.410 4.527 -0.001 0.000 0.298 73 F C 2.448 178.246 175.800 -0.004 0.000 1.096 73 F CA 1.204 59.201 58.000 -0.005 0.000 1.275 73 F CB -0.316 38.680 39.000 -0.007 0.000 1.008 73 F HN 0.040 nan 8.300 nan 0.000 0.480 74 M N -0.972 118.733 119.600 0.176 0.000 2.080 74 M HA -0.251 4.228 4.480 -0.001 0.000 0.260 74 M C 2.498 178.836 176.300 0.063 0.000 1.068 74 M CA 2.037 57.391 55.300 0.090 0.000 1.109 74 M CB -0.685 31.946 32.600 0.052 0.000 1.342 74 M HN 0.137 nan 8.290 nan 0.000 0.405 75 S N -0.019 115.709 115.700 0.046 0.000 2.423 75 S HA -0.149 4.321 4.470 -0.001 0.000 0.231 75 S C 1.361 175.978 174.600 0.028 0.000 1.014 75 S CA 1.354 59.574 58.200 0.032 0.000 0.965 75 S CB -0.317 62.896 63.200 0.023 0.000 0.785 75 S HN 0.370 nan 8.310 nan 0.000 0.495 76 D N 1.363 121.776 120.400 0.023 0.000 2.178 76 D HA 0.092 4.732 4.640 -0.001 0.000 0.202 76 D C 1.750 178.079 176.300 0.048 0.000 0.974 76 D CA 1.180 55.192 54.000 0.020 0.000 0.841 76 D CB -0.334 40.470 40.800 0.006 0.000 0.953 76 D HN 0.507 nan 8.370 nan 0.000 0.478 77 A N 0.069 122.930 122.820 0.068 0.000 2.307 77 A HA 0.266 4.585 4.320 -0.001 0.000 0.218 77 A C 0.622 178.239 177.584 0.054 0.000 1.228 77 A CA 0.035 52.111 52.037 0.066 0.000 0.857 77 A CB -0.043 19.003 19.000 0.077 0.000 0.897 77 A HN 0.176 nan 8.150 nan 0.000 0.495 78 S N -1.819 113.911 115.700 0.050 0.000 2.588 78 S HA 0.545 5.015 4.470 -0.001 0.000 0.275 78 S C -0.683 173.947 174.600 0.049 0.000 1.130 78 S CA -0.613 57.617 58.200 0.051 0.000 0.855 78 S CB 1.606 64.837 63.200 0.052 0.000 1.116 78 S HN 0.085 nan 8.310 nan 0.000 0.472 79 D N 0.455 120.887 120.400 0.054 0.000 2.417 79 D HA 0.159 4.798 4.640 -0.001 0.000 0.207 79 D C 0.914 177.247 176.300 0.055 0.000 1.075 79 D CA 0.490 54.520 54.000 0.050 0.000 0.851 79 D CB 0.868 41.697 40.800 0.048 0.000 0.976 79 D HN 0.555 nan 8.370 nan 0.000 0.505 80 V N -0.194 119.759 119.914 0.065 0.000 2.863 80 V HA 0.477 4.597 4.120 -0.001 0.000 0.307 80 V C -2.441 173.691 176.094 0.063 0.000 1.061 80 V CA -1.972 60.371 62.300 0.072 0.000 1.024 80 V CB 1.227 33.109 31.823 0.098 0.000 1.049 80 V HN -0.188 nan 8.190 nan 0.000 0.471 81 P HA 0.310 nan 4.420 nan 0.000 0.269 81 P C -0.787 176.540 177.300 0.045 0.000 1.215 81 P CA 0.099 63.225 63.100 0.043 0.000 0.780 81 P CB 0.869 32.586 31.700 0.029 0.000 0.898 82 I N 2.152 122.740 120.570 0.030 0.000 2.465 82 I HA 0.264 4.434 4.170 -0.001 0.000 0.291 82 I C -0.133 175.985 176.117 0.001 0.000 1.014 82 I CA -1.115 60.200 61.300 0.025 0.000 1.093 82 I CB 1.967 39.977 38.000 0.015 0.000 1.267 82 I HN 0.173 nan 8.210 nan 0.000 0.431 83 L N 7.746 128.985 121.223 0.026 0.000 2.280 83 L HA 0.499 4.838 4.340 -0.001 0.000 0.287 83 L C -0.946 175.861 176.870 -0.104 0.000 1.023 83 L CA -0.468 54.381 54.840 0.016 0.000 0.819 83 L CB 1.289 43.450 42.059 0.171 0.000 1.212 83 L HN 0.494 nan 8.230 nan 0.000 0.420 84 L N 4.723 125.859 121.223 -0.145 0.000 2.305 84 L HA 0.390 4.730 4.340 -0.001 0.000 0.281 84 L C -0.287 176.371 176.870 -0.354 0.000 1.085 84 L CA 0.135 54.824 54.840 -0.252 0.000 0.813 84 L CB 0.824 42.836 42.059 -0.078 0.000 1.157 84 L HN 0.711 nan 8.230 nan 0.000 0.436 85 D N 4.530 124.546 120.400 -0.640 0.000 2.359 85 D HA 0.246 4.885 4.640 -0.001 0.000 0.250 85 D C 0.126 176.297 176.300 -0.215 0.000 1.264 85 D CA 0.183 53.885 54.000 -0.498 0.000 0.911 85 D CB 1.120 41.520 40.800 -0.667 0.000 1.056 85 D HN 0.689 nan 8.370 nan 0.000 0.499 86 A N 4.390 127.113 122.820 -0.161 0.000 2.684 86 A HA 0.209 4.529 4.320 -0.001 0.000 0.288 86 A C 0.888 178.145 177.584 -0.544 0.000 1.337 86 A CA -0.337 51.560 52.037 -0.234 0.000 0.946 86 A CB -0.159 18.748 19.000 -0.153 0.000 1.093 86 A HN 0.663 nan 8.150 nan 0.000 0.543 87 D N -0.134 120.066 120.400 -0.333 0.000 3.899 87 D HA -0.267 4.373 4.640 -0.001 0.000 0.146 87 D C 1.271 177.374 176.300 -0.329 0.000 0.820 87 D CA 2.861 56.670 54.000 -0.318 0.000 1.056 87 D CB -1.152 39.412 40.800 -0.393 0.000 0.474 87 D HN 0.688 nan 8.370 nan 0.000 0.457 88 T N -2.291 111.992 114.554 -0.452 0.000 3.105 88 T HA 0.484 4.834 4.350 -0.001 0.000 0.253 88 T C 1.291 175.788 174.700 -0.338 0.000 1.047 88 T CA 1.139 63.074 62.100 -0.276 0.000 0.944 88 T CB 0.634 69.388 68.868 -0.190 0.000 1.016 88 T HN 1.209 nan 8.240 nan 0.000 0.544 89 G N 1.127 109.553 108.800 -0.622 0.000 2.179 89 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 89 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 89 G C 0.316 174.914 174.900 -0.504 0.000 0.990 89 G CA -0.192 44.608 45.100 -0.499 0.000 0.646 89 G HN 0.587 nan 8.290 nan 0.000 0.517 90 Y N -1.715 118.273 120.300 -0.521 0.000 4.032 90 Y HA 0.031 4.580 4.550 -0.001 0.000 0.230 90 Y C 1.633 177.259 175.900 -0.457 0.000 1.202 90 Y CA 1.843 59.554 58.100 -0.648 0.000 1.878 90 Y CB -1.579 36.656 38.460 -0.375 0.000 1.586 90 Y HN 1.979 nan 8.280 nan 0.000 0.673 91 G N -0.928 107.699 108.800 -0.287 0.000 2.403 91 G HA2 0.248 4.208 3.960 -0.001 0.000 0.223 91 G HA3 0.248 4.208 3.960 -0.001 0.000 0.223 91 G C -0.419 174.502 174.900 0.034 0.000 1.287 91 G CA -0.394 44.760 45.100 0.090 0.000 0.982 91 G HN 0.577 nan 8.290 nan 0.000 0.471 92 N N -0.115 118.579 118.700 -0.010 0.000 2.452 92 N HA 0.511 5.250 4.740 -0.001 0.000 0.296 92 N C 1.582 177.022 175.510 -0.116 0.000 1.304 92 N CA 0.254 53.305 53.050 0.001 0.000 0.956 92 N CB -0.372 38.143 38.487 0.047 0.000 1.106 92 N HN 0.939 nan 8.380 nan 0.000 0.555 93 F N -1.268 118.644 119.950 -0.064 0.000 2.202 93 F HA 0.013 4.540 4.527 -0.000 0.000 0.301 93 F C 1.750 177.488 175.800 -0.104 0.000 1.082 93 F CA 1.328 59.266 58.000 -0.103 0.000 1.313 93 F CB -0.962 37.983 39.000 -0.091 0.000 1.024 93 F HN 0.452 nan 8.300 nan 0.000 0.495 94 N N 0.926 118.691 118.700 -1.559 0.000 2.188 94 N HA -0.169 4.571 4.740 -0.001 0.000 0.184 94 N C 1.208 176.413 175.510 -0.507 0.000 1.018 94 N CA 1.722 54.147 53.050 -1.042 0.000 0.858 94 N CB -0.490 37.411 38.487 -0.977 0.000 0.989 94 N HN 0.478 nan 8.380 nan 0.000 0.426 95 N N -0.210 118.231 118.700 -0.431 0.000 2.188 95 N HA -0.016 4.724 4.740 -0.001 0.000 0.184 95 N C 1.613 176.878 175.510 -0.409 0.000 1.018 95 N CA 1.152 53.964 53.050 -0.397 0.000 0.858 95 N CB -0.182 38.115 38.487 -0.316 0.000 0.989 95 N HN 0.298 nan 8.380 nan 0.000 0.426 96 A N 2.040 124.674 122.820 -0.309 0.000 1.877 96 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 96 A C 2.118 179.574 177.584 -0.212 0.000 1.186 96 A CA 1.584 53.477 52.037 -0.240 0.000 0.620 96 A CB -0.550 18.340 19.000 -0.183 0.000 0.822 96 A HN 0.422 nan 8.150 nan 0.000 0.443 97 R N -0.580 119.809 120.500 -0.187 0.000 2.092 97 R HA -0.060 4.279 4.340 -0.001 0.000 0.231 97 R C 2.275 178.464 176.300 -0.184 0.000 1.119 97 R CA 1.376 57.388 56.100 -0.147 0.000 0.970 97 R CB -0.501 29.751 30.300 -0.079 0.000 0.864 97 R HN 0.480 nan 8.270 nan 0.000 0.440 98 R N 0.882 121.242 120.500 -0.234 0.000 2.096 98 R HA -0.108 4.232 4.340 -0.001 0.000 0.235 98 R C 2.170 178.309 176.300 -0.267 0.000 1.127 98 R CA 1.171 57.139 56.100 -0.220 0.000 0.968 98 R CB -0.214 29.940 30.300 -0.243 0.000 0.861 98 R HN 0.319 nan 8.270 nan 0.000 0.440 99 L N 0.358 121.339 121.223 -0.403 0.000 2.056 99 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 99 L C 2.012 178.802 176.870 -0.134 0.000 1.078 99 L CA 1.453 56.100 54.840 -0.322 0.000 0.749 99 L CB -0.353 41.529 42.059 -0.294 0.000 0.901 99 L HN -0.024 nan 8.230 nan 0.000 0.433 100 V N 0.108 119.919 119.914 -0.171 0.000 2.392 100 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 100 V C 2.805 178.672 176.094 -0.379 0.000 1.059 100 V CA 2.167 64.301 62.300 -0.276 0.000 1.051 100 V CB -0.773 30.889 31.823 -0.268 0.000 0.658 100 V HN 0.541 nan 8.190 nan 0.000 0.455 101 R N -0.034 120.324 120.500 -0.237 0.000 2.075 101 R HA -0.125 4.215 4.340 -0.001 0.000 0.232 101 R C 2.366 178.597 176.300 -0.115 0.000 1.126 101 R CA 1.160 57.149 56.100 -0.186 0.000 0.963 101 R CB -0.093 30.138 30.300 -0.116 0.000 0.858 101 R HN 0.280 nan 8.270 nan 0.000 0.435 102 K N 0.637 121.016 120.400 -0.036 0.000 2.097 102 K HA -0.093 4.227 4.320 -0.001 0.000 0.205 102 K C 2.064 178.677 176.600 0.022 0.000 1.050 102 K CA 1.075 57.386 56.287 0.040 0.000 0.938 102 K CB -0.268 32.349 32.500 0.195 0.000 0.718 102 K HN 0.297 nan 8.250 nan 0.000 0.442 103 L N 0.918 122.148 121.223 0.011 0.000 2.027 103 L HA -0.159 4.181 4.340 -0.001 0.000 0.206 103 L C 2.322 179.222 176.870 0.050 0.000 1.074 103 L CA 1.225 56.109 54.840 0.073 0.000 0.745 103 L CB -0.432 41.742 42.059 0.191 0.000 0.898 103 L HN 0.229 nan 8.230 nan 0.000 0.433 104 E N 0.314 120.444 120.200 -0.115 0.000 2.049 104 E HA -0.261 4.089 4.350 -0.001 0.000 0.198 104 E C 1.736 178.328 176.600 -0.013 0.000 1.007 104 E CA 1.661 58.011 56.400 -0.084 0.000 0.809 104 E CB -0.225 29.333 29.700 -0.238 0.000 0.749 104 E HN 0.480 nan 8.360 nan 0.000 0.450 105 D N 0.055 120.433 120.400 -0.038 0.000 2.221 105 D HA -0.126 4.513 4.640 -0.001 0.000 0.204 105 D C 1.693 177.987 176.300 -0.011 0.000 0.982 105 D CA 0.783 54.769 54.000 -0.023 0.000 0.857 105 D CB -0.073 40.710 40.800 -0.028 0.000 0.934 105 D HN 0.035 nan 8.370 nan 0.000 0.475 106 R N -0.565 119.936 120.500 0.001 0.000 2.310 106 R HA 0.186 4.526 4.340 -0.001 0.000 0.202 106 R C 1.389 177.697 176.300 0.013 0.000 0.933 106 R CA 0.643 56.740 56.100 -0.005 0.000 1.054 106 R CB 0.196 30.495 30.300 -0.001 0.000 0.985 106 R HN 0.237 nan 8.270 nan 0.000 0.489 107 G N 0.477 109.301 108.800 0.040 0.000 2.175 107 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.244 107 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.244 107 G C 0.184 175.133 174.900 0.082 0.000 0.982 107 G CA 0.098 45.230 45.100 0.053 0.000 0.641 107 G HN 0.140 nan 8.290 nan 0.000 0.527 108 V N 1.041 121.025 119.914 0.115 0.000 2.637 108 V HA 0.496 4.615 4.120 -0.001 0.000 0.296 108 V C 1.726 177.935 176.094 0.191 0.000 1.046 108 V CA 0.873 63.255 62.300 0.136 0.000 1.066 108 V CB 1.288 33.209 31.823 0.164 0.000 0.968 108 V HN 0.815 nan 8.190 nan 0.000 0.483 109 A N 3.714 126.567 122.820 0.055 0.000 1.975 109 A HA 0.526 4.845 4.320 -0.001 0.000 0.215 109 A C 1.060 178.358 177.584 -0.476 0.000 1.170 109 A CA 1.128 53.130 52.037 -0.058 0.000 0.656 109 A CB -0.136 18.835 19.000 -0.048 0.000 0.821 109 A HN 1.170 nan 8.150 nan 0.000 0.449 110 G N -2.963 105.503 108.800 -0.557 0.000 2.559 110 G HA2 0.626 4.586 3.960 -0.001 0.000 0.291 110 G HA3 0.626 4.586 3.960 -0.001 0.000 0.291 110 G C -1.412 173.236 174.900 -0.419 0.000 1.424 110 G CA 0.055 44.540 45.100 -1.024 0.000 0.786 110 G HN 1.018 nan 8.290 nan 0.000 0.485 111 A N -1.115 121.540 122.820 -0.274 0.000 2.393 111 A HA 0.649 4.969 4.320 -0.001 0.000 0.306 111 A C -0.700 176.873 177.584 -0.018 0.000 1.050 111 A CA -0.436 51.587 52.037 -0.023 0.000 0.724 111 A CB 1.433 20.517 19.000 0.140 0.000 1.248 111 A HN 1.712 nan 8.150 nan 0.000 0.424 112 C N 4.088 123.390 119.300 0.003 0.000 2.273 112 C HA 0.737 5.196 4.460 -0.001 0.000 0.328 112 C C -0.543 174.460 174.990 0.021 0.000 1.275 112 C CA -0.457 58.597 59.018 0.060 0.000 1.704 112 C CB -1.511 26.353 27.740 0.207 0.000 2.326 112 C HN 0.686 nan 8.230 nan 0.000 0.517 113 L N 7.032 128.286 121.223 0.051 0.000 2.341 113 L HA 0.558 4.898 4.340 -0.001 0.000 0.278 113 L C 0.051 177.045 176.870 0.207 0.000 1.005 113 L CA -0.248 54.647 54.840 0.092 0.000 0.818 113 L CB 1.524 43.631 42.059 0.079 0.000 1.259 113 L HN 0.695 nan 8.230 nan 0.000 0.418 114 E N 1.025 121.247 120.200 0.037 0.000 2.191 114 E HA 0.207 4.557 4.350 -0.001 0.000 0.274 114 E C -1.016 175.221 176.600 -0.604 0.000 0.948 114 E CA -0.815 55.476 56.400 -0.182 0.000 0.802 114 E CB 1.824 31.460 29.700 -0.107 0.000 1.137 114 E HN 0.594 nan 8.360 nan 0.000 0.397 115 D N 2.876 122.677 120.400 -0.999 0.000 2.856 115 D HA 0.010 4.649 4.640 -0.001 0.000 0.242 115 D C -0.080 175.935 176.300 -0.475 0.000 1.226 115 D CA -0.246 53.008 54.000 -1.243 0.000 0.855 115 D CB -0.205 39.888 40.800 -1.178 0.000 1.065 115 D HN 0.454 nan 8.370 nan 0.000 0.462 116 K N -0.529 119.711 120.400 -0.267 0.000 2.210 116 K HA 0.453 4.772 4.320 -0.001 0.000 0.236 116 K C -0.035 176.556 176.600 -0.016 0.000 1.016 116 K CA -1.044 55.185 56.287 -0.096 0.000 0.913 116 K CB 1.360 33.841 32.500 -0.031 0.000 1.141 116 K HN -0.026 nan 8.250 nan 0.000 0.462 117 L N 1.311 122.557 121.223 0.038 0.000 2.397 117 L HA 0.349 4.689 4.340 -0.001 0.000 0.271 117 L C -0.580 176.392 176.870 0.170 0.000 1.148 117 L CA -0.477 54.414 54.840 0.086 0.000 0.825 117 L CB 0.204 42.298 42.059 0.058 0.000 1.117 117 L HN 0.614 nan 8.230 nan 0.000 0.456 118 F N 4.900 124.857 119.950 0.012 0.000 2.574 118 F HA 0.605 5.131 4.527 -0.001 0.000 0.313 118 F C -2.143 173.674 175.800 0.028 0.000 1.130 118 F CA -1.342 56.669 58.000 0.019 0.000 0.936 118 F CB 1.316 40.323 39.000 0.012 0.000 1.219 118 F HN 0.287 nan 8.300 nan 0.000 0.445 119 P HA 0.259 nan 4.420 nan 0.000 0.297 119 P C -1.488 175.675 177.300 -0.229 0.000 1.307 119 P CA -0.800 61.812 63.100 -0.812 0.000 0.773 119 P CB 0.960 32.114 31.700 -0.910 0.000 1.265 120 K N -0.091 120.248 120.400 -0.102 0.000 2.402 120 K HA 0.132 4.452 4.320 -0.001 0.000 0.285 120 K C 0.188 176.757 176.600 -0.051 0.000 1.054 120 K CA 0.259 56.526 56.287 -0.033 0.000 1.001 120 K CB 0.007 32.510 32.500 0.006 0.000 0.946 120 K HN 0.308 nan 8.250 nan 0.000 0.473 121 T N 2.936 117.469 114.554 -0.035 0.000 2.990 121 T HA 0.119 4.468 4.350 -0.001 0.000 0.250 121 T C -0.242 174.452 174.700 -0.011 0.000 1.041 121 T CA -0.075 62.006 62.100 -0.031 0.000 1.010 121 T CB 0.168 69.017 68.868 -0.032 0.000 1.003 121 T HN 0.542 nan 8.240 nan 0.000 0.499 122 N N 0.942 119.643 118.700 0.001 0.000 2.272 122 N HA 0.426 5.165 4.740 -0.001 0.000 0.305 122 N C -0.577 174.940 175.510 0.012 0.000 1.103 122 N CA -0.260 52.796 53.050 0.009 0.000 0.791 122 N CB 2.102 40.600 38.487 0.018 0.000 1.356 122 N HN 0.000 nan 8.380 nan 0.000 0.486 128 R N 1.226 121.673 120.500 -0.088 0.000 2.543 128 R HA 0.586 4.925 4.340 -0.001 0.000 0.277 128 R C 0.808 177.001 176.300 -0.177 0.000 1.074 128 R CA 0.272 56.294 56.100 -0.131 0.000 1.076 128 R CB 0.964 31.211 30.300 -0.089 0.000 0.993 128 R HN 0.327 nan 8.270 nan 0.000 0.459 129 A N 2.889 125.507 122.820 -0.336 0.000 2.507 129 A HA -0.018 4.302 4.320 -0.001 0.000 0.235 129 A C 0.057 177.544 177.584 -0.163 0.000 1.070 129 A CA 0.109 51.869 52.037 -0.461 0.000 0.768 129 A CB 0.189 18.424 19.000 -1.274 0.000 1.011 129 A HN 0.652 nan 8.150 nan 0.000 0.502 130 Q N 2.018 121.829 119.800 0.018 0.000 2.331 130 Q HA 0.306 4.645 4.340 -0.001 0.000 0.257 130 Q C -2.262 173.966 176.000 0.379 0.000 0.957 130 Q CA -1.892 54.009 55.803 0.163 0.000 0.923 130 Q CB 1.205 30.015 28.738 0.121 0.000 1.212 130 Q HN 0.562 nan 8.270 nan 0.000 0.443 131 P HA -0.039 nan 4.420 nan 0.000 0.265 131 P C -0.707 176.674 177.300 0.135 0.000 1.193 131 P CA 0.432 63.704 63.100 0.286 0.000 0.765 131 P CB 0.960 32.773 31.700 0.190 0.000 0.823 132 L N 1.646 122.877 121.223 0.014 0.000 2.491 132 L HA 0.660 4.999 4.340 -0.001 0.000 0.264 132 L C 1.094 177.926 176.870 -0.062 0.000 1.053 132 L CA -1.416 53.393 54.840 -0.053 0.000 0.858 132 L CB 0.469 42.437 42.059 -0.151 0.000 1.519 132 L HN 0.339 nan 8.230 nan 0.000 0.508 133 A N -0.099 122.673 122.820 -0.079 0.000 2.386 133 A HA 0.096 4.416 4.320 -0.001 0.000 0.246 133 A C -0.494 177.080 177.584 -0.017 0.000 1.089 133 A CA -0.145 51.876 52.037 -0.026 0.000 0.790 133 A CB -0.016 18.970 19.000 -0.022 0.000 1.042 133 A HN 0.721 nan 8.150 nan 0.000 0.497 134 D N 0.101 120.518 120.400 0.029 0.000 2.424 134 D HA 0.102 4.742 4.640 -0.001 0.000 0.244 134 D C 0.965 177.312 176.300 0.078 0.000 1.134 134 D CA -0.152 53.864 54.000 0.025 0.000 0.881 134 D CB 0.373 41.195 40.800 0.037 0.000 1.191 134 D HN 0.342 nan 8.370 nan 0.000 0.445 135 I N 3.339 123.941 120.570 0.054 0.000 2.208 135 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 135 I C 1.892 178.128 176.117 0.199 0.000 1.097 135 I CA 1.718 63.102 61.300 0.140 0.000 1.363 135 I CB -0.358 37.655 38.000 0.022 0.000 1.051 135 I HN 0.753 nan 8.210 nan 0.000 0.413 136 E N -0.034 120.230 120.200 0.105 0.000 2.150 136 E HA -0.292 4.058 4.350 -0.001 0.000 0.193 136 E C 2.157 178.807 176.600 0.084 0.000 0.985 136 E CA 1.265 57.716 56.400 0.085 0.000 0.814 136 E CB -0.225 29.498 29.700 0.038 0.000 0.752 136 E HN 0.692 nan 8.360 nan 0.000 0.466 137 E N -0.466 119.790 120.200 0.093 0.000 2.047 137 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 137 E C 1.810 178.467 176.600 0.095 0.000 0.987 137 E CA 0.984 57.432 56.400 0.081 0.000 0.799 137 E CB -0.227 29.529 29.700 0.094 0.000 0.752 137 E HN 0.305 nan 8.360 nan 0.000 0.449 138 F N 1.107 121.047 119.950 -0.016 0.000 2.134 138 F HA -0.075 4.451 4.527 -0.001 0.000 0.299 138 F C 2.087 177.802 175.800 -0.141 0.000 1.097 138 F CA 1.418 59.342 58.000 -0.127 0.000 1.264 138 F CB -0.533 38.313 39.000 -0.257 0.000 1.001 138 F HN 0.109 nan 8.300 nan 0.000 0.479 139 A N 0.268 123.133 122.820 0.075 0.000 1.940 139 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 139 A C 2.288 179.832 177.584 -0.067 0.000 1.176 139 A CA 1.878 53.962 52.037 0.078 0.000 0.631 139 A CB -1.161 17.977 19.000 0.230 0.000 0.814 139 A HN 0.477 nan 8.150 nan 0.000 0.446 140 L N -1.063 120.117 121.223 -0.070 0.000 2.156 140 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 140 L C 2.554 179.338 176.870 -0.144 0.000 1.095 140 L CA 1.679 56.456 54.840 -0.105 0.000 0.770 140 L CB -0.300 41.691 42.059 -0.114 0.000 0.914 140 L HN 0.492 nan 8.230 nan 0.000 0.439 141 K N 0.593 120.878 120.400 -0.191 0.000 2.057 141 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 141 K C 2.083 178.519 176.600 -0.274 0.000 1.050 141 K CA 1.118 57.290 56.287 -0.192 0.000 0.935 141 K CB 0.108 32.434 32.500 -0.290 0.000 0.715 141 K HN 0.057 nan 8.250 nan 0.000 0.439 142 I N 1.969 122.288 120.570 -0.418 0.000 2.179 142 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 142 I C 2.398 178.432 176.117 -0.139 0.000 1.088 142 I CA 1.561 62.674 61.300 -0.312 0.000 1.357 142 I CB -1.051 36.768 38.000 -0.302 0.000 1.051 142 I HN 0.336 nan 8.210 nan 0.000 0.409 143 K N 1.255 121.590 120.400 -0.108 0.000 2.103 143 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 143 K C 2.193 178.765 176.600 -0.048 0.000 1.048 143 K CA 1.607 57.859 56.287 -0.058 0.000 0.930 143 K CB -0.049 32.419 32.500 -0.053 0.000 0.716 143 K HN 0.249 nan 8.250 nan 0.000 0.444 144 A N 0.664 123.453 122.820 -0.051 0.000 1.933 144 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 144 A C 2.393 179.979 177.584 0.003 0.000 1.175 144 A CA 1.680 53.719 52.037 0.003 0.000 0.628 144 A CB -0.974 18.091 19.000 0.108 0.000 0.814 144 A HN 0.575 nan 8.150 nan 0.000 0.444 145 C N -0.480 118.804 119.300 -0.026 0.000 2.453 145 C HA -0.036 4.424 4.460 -0.001 0.000 0.277 145 C C 2.723 177.711 174.990 -0.004 0.000 1.262 145 C CA 1.113 60.115 59.018 -0.026 0.000 1.718 145 C CB -0.705 27.017 27.740 -0.031 0.000 2.031 145 C HN 0.506 nan 8.230 nan 0.000 0.480 146 K N 1.123 121.526 120.400 0.005 0.000 2.057 146 K HA -0.106 4.214 4.320 -0.001 0.000 0.207 146 K C 1.365 177.971 176.600 0.009 0.000 1.049 146 K CA 1.443 57.744 56.287 0.024 0.000 0.931 146 K CB -0.836 31.677 32.500 0.021 0.000 0.714 146 K HN 0.485 nan 8.250 nan 0.000 0.440 147 D N 0.364 120.762 120.400 -0.004 0.000 2.263 147 D HA -0.056 4.584 4.640 -0.001 0.000 0.208 147 D C 1.511 177.804 176.300 -0.011 0.000 0.971 147 D CA 0.886 54.883 54.000 -0.007 0.000 0.867 147 D CB 0.081 40.874 40.800 -0.011 0.000 0.929 147 D HN 0.076 nan 8.370 nan 0.000 0.492 148 S N 0.025 115.713 115.700 -0.019 0.000 2.492 148 S HA -0.023 4.447 4.470 -0.001 0.000 0.218 148 S C 0.853 175.414 174.600 -0.065 0.000 1.016 148 S CA -0.262 57.916 58.200 -0.036 0.000 0.916 148 S CB 0.017 63.193 63.200 -0.041 0.000 0.791 148 S HN 0.412 nan 8.310 nan 0.000 0.513 149 Q N 1.850 121.608 119.800 -0.071 0.000 2.361 149 Q HA 0.178 4.517 4.340 -0.001 0.000 0.276 149 Q C 0.757 176.717 176.000 -0.067 0.000 1.022 149 Q CA 0.631 56.364 55.803 -0.116 0.000 0.898 149 Q CB 0.116 28.803 28.738 -0.086 0.000 1.246 149 Q HN 0.277 nan 8.270 nan 0.000 0.410 150 T N -2.213 112.290 114.554 -0.085 0.000 3.057 150 T HA -0.013 4.336 4.350 -0.001 0.000 0.254 150 T C 0.151 174.842 174.700 -0.015 0.000 1.094 150 T CA 0.358 62.431 62.100 -0.044 0.000 1.088 150 T CB 0.236 69.074 68.868 -0.050 0.000 0.934 150 T HN 0.633 nan 8.240 nan 0.000 0.497 151 D N 3.083 123.481 120.400 -0.003 0.000 2.412 151 D HA 0.266 4.905 4.640 -0.001 0.000 0.224 151 D C -1.421 174.927 176.300 0.080 0.000 1.093 151 D CA -2.678 51.350 54.000 0.047 0.000 0.850 151 D CB 2.006 42.854 40.800 0.080 0.000 1.046 151 D HN 0.012 nan 8.370 nan 0.000 0.507 152 P HA -0.125 nan 4.420 nan 0.000 0.222 152 P C 0.115 177.464 177.300 0.082 0.000 1.142 152 P CA 0.846 63.984 63.100 0.062 0.000 0.788 152 P CB 0.565 32.289 31.700 0.041 0.000 0.767 153 D N -1.608 118.849 120.400 0.095 0.000 2.349 153 D HA 0.079 4.718 4.640 -0.001 0.000 0.214 153 D C 0.456 176.822 176.300 0.109 0.000 1.063 153 D CA -0.347 53.703 54.000 0.084 0.000 0.847 153 D CB -0.629 40.207 40.800 0.059 0.000 0.933 153 D HN 0.150 nan 8.370 nan 0.000 0.513 154 F N 1.549 121.504 119.950 0.009 0.000 2.563 154 F HA 0.056 4.582 4.527 -0.001 0.000 0.363 154 F C 0.145 175.951 175.800 0.009 0.000 1.123 154 F CA -0.523 57.482 58.000 0.008 0.000 1.307 154 F CB 0.457 39.459 39.000 0.002 0.000 1.115 154 F HN -0.098 nan 8.300 nan 0.000 0.592 155 C N 7.128 126.063 119.300 -0.608 0.000 2.355 155 C HA 0.531 4.990 4.460 -0.001 0.000 0.332 155 C C -0.336 174.456 174.990 -0.329 0.000 1.255 155 C CA -1.004 57.815 59.018 -0.333 0.000 1.792 155 C CB 0.550 28.143 27.740 -0.244 0.000 2.300 155 C HN 0.440 nan 8.230 nan 0.000 0.515 156 I N 3.976 124.500 120.570 -0.077 0.000 2.354 156 I HA 0.306 4.475 4.170 -0.001 0.000 0.286 156 I C -0.025 176.084 176.117 -0.013 0.000 1.007 156 I CA -0.185 61.105 61.300 -0.016 0.000 1.167 156 I CB 1.046 39.065 38.000 0.031 0.000 1.320 156 I HN 0.337 nan 8.210 nan 0.000 0.458 157 V N 5.849 125.757 119.914 -0.010 0.000 2.427 157 V HA 0.588 4.708 4.120 -0.001 0.000 0.286 157 V C 0.583 176.709 176.094 0.053 0.000 1.034 157 V CA -0.698 61.614 62.300 0.020 0.000 0.893 157 V CB 1.670 33.506 31.823 0.021 0.000 0.982 157 V HN 0.819 nan 8.190 nan 0.000 0.452 158 A N 5.664 128.535 122.820 0.085 0.000 2.253 158 A HA 0.577 4.897 4.320 -0.001 0.000 0.316 158 A C 0.156 177.814 177.584 0.122 0.000 1.327 158 A CA -0.524 51.607 52.037 0.157 0.000 0.917 158 A CB 0.118 19.267 19.000 0.248 0.000 1.162 158 A HN 0.824 nan 8.150 nan 0.000 0.535 159 R N 3.149 123.699 120.500 0.083 0.000 2.202 159 R HA 0.441 4.781 4.340 -0.001 0.000 0.334 159 R C -1.172 175.111 176.300 -0.029 0.000 1.036 159 R CA -0.218 55.884 56.100 0.004 0.000 0.878 159 R CB 0.546 30.846 30.300 -0.001 0.000 1.067 159 R HN 0.462 nan 8.270 nan 0.000 0.457 160 V N 5.203 125.099 119.914 -0.030 0.000 2.406 160 V HA 0.087 4.206 4.120 -0.001 0.000 0.272 160 V C 0.724 176.785 176.094 -0.055 0.000 1.043 160 V CA -0.188 62.087 62.300 -0.042 0.000 0.915 160 V CB 1.495 33.238 31.823 -0.133 0.000 0.988 160 V HN 0.839 nan 8.190 nan 0.000 0.466 161 E N 3.121 123.283 120.200 -0.064 0.000 2.479 161 E HA 0.098 4.447 4.350 -0.001 0.000 0.193 161 E C 2.023 178.634 176.600 0.019 0.000 1.049 161 E CA 0.710 57.105 56.400 -0.008 0.000 0.870 161 E CB 0.408 30.091 29.700 -0.028 0.000 0.944 161 E HN 0.813 nan 8.360 nan 0.000 0.492 162 A N 1.168 123.946 122.820 -0.069 0.000 1.870 162 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 162 A C 1.901 179.501 177.584 0.028 0.000 1.224 162 A CA 1.735 53.726 52.037 -0.076 0.000 0.650 162 A CB -1.014 17.814 19.000 -0.286 0.000 0.836 162 A HN 0.195 nan 8.150 nan 0.000 0.454 163 F N 0.027 120.005 119.950 0.047 0.000 2.069 163 F HA -0.195 4.332 4.527 -0.001 0.000 0.298 163 F C 2.315 178.133 175.800 0.031 0.000 1.113 163 F CA 1.359 59.379 58.000 0.033 0.000 1.214 163 F CB -0.554 38.431 39.000 -0.025 0.000 0.978 163 F HN 0.127 nan 8.300 nan 0.000 0.474 164 I N 0.171 120.872 120.570 0.218 0.000 2.208 164 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 164 I C 2.473 178.661 176.117 0.118 0.000 1.097 164 I CA 1.611 62.983 61.300 0.121 0.000 1.363 164 I CB -2.018 36.041 38.000 0.098 0.000 1.051 164 I HN 0.102 nan 8.210 nan 0.000 0.413 165 A N -0.221 122.699 122.820 0.166 0.000 2.235 165 A HA 0.327 4.646 4.320 -0.001 0.000 0.208 165 A C 1.894 179.542 177.584 0.107 0.000 1.172 165 A CA 0.967 53.122 52.037 0.197 0.000 0.786 165 A CB -0.604 18.596 19.000 0.334 0.000 0.804 165 A HN 0.611 nan 8.150 nan 0.000 0.479 166 G N -3.010 105.830 108.800 0.068 0.000 2.159 166 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.227 166 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.227 166 G C -0.312 174.459 174.900 -0.215 0.000 0.986 166 G CA -0.072 44.964 45.100 -0.106 0.000 0.651 166 G HN 0.428 nan 8.290 nan 0.000 0.523 167 W N 1.132 122.410 121.300 -0.037 0.000 2.433 167 W HA 0.677 5.337 4.660 -0.001 0.000 0.315 167 W C 1.098 177.536 176.519 -0.135 0.000 1.087 167 W CA -0.192 57.108 57.345 -0.075 0.000 1.205 167 W CB 0.871 30.270 29.460 -0.101 0.000 1.288 167 W HN 0.385 nan 8.180 nan 0.000 0.504 168 G N 1.620 110.479 108.800 0.098 0.000 2.379 168 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.287 168 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.287 168 G C 0.671 175.434 174.900 -0.227 0.000 1.422 168 G CA -0.137 44.982 45.100 0.032 0.000 1.081 168 G HN 0.624 nan 8.290 nan 0.000 0.569 169 L N -0.687 120.514 121.223 -0.037 0.000 2.141 169 L HA -0.006 4.333 4.340 -0.001 0.000 0.209 169 L C 2.199 179.050 176.870 -0.031 0.000 1.094 169 L CA 2.625 57.452 54.840 -0.022 0.000 0.763 169 L CB -0.717 41.490 42.059 0.246 0.000 0.908 169 L HN 0.657 nan 8.230 nan 0.000 0.437 170 D N -0.854 119.547 120.400 0.002 0.000 2.104 170 D HA -0.221 4.419 4.640 -0.001 0.000 0.194 170 D C 2.000 178.281 176.300 -0.031 0.000 0.994 170 D CA 1.303 55.311 54.000 0.013 0.000 0.830 170 D CB 0.090 40.913 40.800 0.038 0.000 0.959 170 D HN 0.336 nan 8.370 nan 0.000 0.452 171 E N -0.033 120.125 120.200 -0.070 0.000 2.047 171 E HA -0.099 4.250 4.350 -0.001 0.000 0.191 171 E C 2.145 178.626 176.600 -0.199 0.000 0.987 171 E CA 0.957 57.273 56.400 -0.140 0.000 0.799 171 E CB -0.609 29.001 29.700 -0.150 0.000 0.752 171 E HN 0.358 nan 8.360 nan 0.000 0.449 172 A N 1.392 124.037 122.820 -0.292 0.000 1.892 172 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 172 A C 2.393 179.939 177.584 -0.064 0.000 1.188 172 A CA 1.476 53.315 52.037 -0.331 0.000 0.631 172 A CB -0.874 17.727 19.000 -0.665 0.000 0.822 172 A HN 0.258 nan 8.150 nan 0.000 0.447 173 L N -0.875 120.424 121.223 0.127 0.000 2.109 173 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 173 L C 2.689 179.634 176.870 0.126 0.000 1.086 173 L CA 1.874 56.883 54.840 0.282 0.000 0.760 173 L CB -0.273 41.918 42.059 0.221 0.000 0.910 173 L HN 0.563 nan 8.230 nan 0.000 0.437 174 K N 0.071 120.471 120.400 0.000 0.000 2.057 174 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 174 K C 2.190 178.686 176.600 -0.172 0.000 1.050 174 K CA 1.265 57.518 56.287 -0.056 0.000 0.935 174 K CB 0.029 32.481 32.500 -0.079 0.000 0.715 174 K HN 0.205 nan 8.250 nan 0.000 0.439 175 R N 0.070 120.398 120.500 -0.286 0.000 2.066 175 R HA -0.056 4.284 4.340 -0.001 0.000 0.232 175 R C 2.457 178.255 176.300 -0.836 0.000 1.131 175 R CA 1.337 57.037 56.100 -0.667 0.000 0.955 175 R CB -0.380 29.621 30.300 -0.499 0.000 0.851 175 R HN 0.271 nan 8.270 nan 0.000 0.432 176 A N 1.033 123.660 122.820 -0.323 0.000 1.908 176 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 176 A C 1.952 179.630 177.584 0.158 0.000 1.181 176 A CA 1.559 53.528 52.037 -0.114 0.000 0.627 176 A CB -0.413 18.489 19.000 -0.163 0.000 0.818 176 A HN 0.336 nan 8.150 nan 0.000 0.445 177 E N -0.575 119.770 120.200 0.242 0.000 2.077 177 E HA -0.094 4.256 4.350 -0.001 0.000 0.193 177 E C 2.320 178.971 176.600 0.085 0.000 0.989 177 E CA 0.909 57.455 56.400 0.244 0.000 0.800 177 E CB -0.243 29.549 29.700 0.154 0.000 0.746 177 E HN 0.610 nan 8.360 nan 0.000 0.452 178 A N 0.418 123.198 122.820 -0.065 0.000 1.902 178 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 178 A C 1.775 179.443 177.584 0.139 0.000 1.181 178 A CA 1.329 53.346 52.037 -0.033 0.000 0.623 178 A CB -0.629 18.297 19.000 -0.125 0.000 0.818 178 A HN 0.272 nan 8.150 nan 0.000 0.443 179 Y N -0.657 119.723 120.300 0.135 0.000 2.286 179 Y HA -0.019 4.530 4.550 -0.001 0.000 0.293 179 Y C 2.422 178.393 175.900 0.119 0.000 1.124 179 Y CA 1.071 59.246 58.100 0.125 0.000 1.178 179 Y CB -0.973 37.587 38.460 0.167 0.000 1.010 179 Y HN 0.324 nan 8.280 nan 0.000 0.536 180 R N 1.281 121.965 120.500 0.306 0.000 2.073 180 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 180 R C 1.540 177.939 176.300 0.165 0.000 1.134 180 R CA 1.708 57.964 56.100 0.260 0.000 0.952 180 R CB -0.689 29.827 30.300 0.359 0.000 0.850 180 R HN 0.198 nan 8.270 nan 0.000 0.433 181 N N 0.143 118.926 118.700 0.138 0.000 2.520 181 N HA -0.074 4.666 4.740 -0.001 0.000 0.185 181 N C 0.844 176.400 175.510 0.076 0.000 1.068 181 N CA 1.202 54.301 53.050 0.082 0.000 0.911 181 N CB -0.040 38.481 38.487 0.057 0.000 0.961 181 N HN 0.382 nan 8.380 nan 0.000 0.446 182 A N -0.619 122.263 122.820 0.104 0.000 2.238 182 A HA 0.483 4.803 4.320 -0.001 0.000 0.210 182 A C 1.502 179.115 177.584 0.048 0.000 1.179 182 A CA 0.763 52.842 52.037 0.071 0.000 0.827 182 A CB 0.125 19.177 19.000 0.086 0.000 0.856 182 A HN 0.282 nan 8.150 nan 0.000 0.488 183 G N -2.046 106.795 108.800 0.067 0.000 2.205 183 G HA2 0.199 4.159 3.960 -0.001 0.000 0.180 183 G HA3 0.199 4.159 3.960 -0.001 0.000 0.180 183 G C 0.468 175.405 174.900 0.062 0.000 1.004 183 G CA -0.005 45.127 45.100 0.053 0.000 0.670 183 G HN 1.453 nan 8.290 nan 0.000 0.496 184 A N 0.488 123.360 122.820 0.087 0.000 2.555 184 A HA 0.440 4.759 4.320 -0.001 0.000 0.233 184 A C 1.111 178.748 177.584 0.088 0.000 1.060 184 A CA 1.139 53.228 52.037 0.087 0.000 0.759 184 A CB 0.201 19.286 19.000 0.142 0.000 0.995 184 A HN 0.282 nan 8.150 nan 0.000 0.506 185 D N 0.335 120.772 120.400 0.061 0.000 2.348 185 D HA 0.344 4.983 4.640 -0.001 0.000 0.211 185 D C 0.537 176.875 176.300 0.063 0.000 0.998 185 D CA 1.511 55.542 54.000 0.051 0.000 0.873 185 D CB 0.322 41.131 40.800 0.015 0.000 0.925 185 D HN 0.759 nan 8.370 nan 0.000 0.524 186 A N 0.311 123.175 122.820 0.073 0.000 2.586 186 A HA 0.494 4.814 4.320 -0.001 0.000 0.291 186 A C -1.870 175.755 177.584 0.068 0.000 1.062 186 A CA -0.634 51.448 52.037 0.074 0.000 0.666 186 A CB 1.162 20.175 19.000 0.022 0.000 1.281 186 A HN -0.053 nan 8.150 nan 0.000 0.421 187 I N 1.066 121.654 120.570 0.029 0.000 2.465 187 I HA 0.431 4.601 4.170 -0.001 0.000 0.291 187 I C -0.570 175.470 176.117 -0.128 0.000 1.014 187 I CA -0.383 60.890 61.300 -0.045 0.000 1.093 187 I CB 1.371 39.269 38.000 -0.170 0.000 1.267 187 I HN 0.678 nan 8.210 nan 0.000 0.431 188 L N 6.975 128.126 121.223 -0.121 0.000 2.262 188 L HA 0.468 4.808 4.340 -0.001 0.000 0.288 188 L C -0.640 176.114 176.870 -0.192 0.000 1.035 188 L CA -0.571 54.169 54.840 -0.167 0.000 0.820 188 L CB 1.069 43.041 42.059 -0.145 0.000 1.204 188 L HN 0.553 nan 8.230 nan 0.000 0.424 189 M N 5.539 124.995 119.600 -0.240 0.000 2.129 189 M HA 0.343 4.823 4.480 -0.001 0.000 0.348 189 M C -1.020 175.262 176.300 -0.030 0.000 1.116 189 M CA -0.014 55.138 55.300 -0.246 0.000 1.022 189 M CB 0.571 32.878 32.600 -0.488 0.000 1.599 189 M HN 0.524 nan 8.290 nan 0.000 0.449 190 H N 1.473 120.498 119.070 -0.074 0.000 2.670 190 H HA 0.771 5.326 4.556 -0.001 0.000 0.361 190 H C -1.350 174.000 175.328 0.036 0.000 1.169 190 H CA -0.725 55.316 56.048 -0.011 0.000 1.198 190 H CB 1.642 31.403 29.762 -0.002 0.000 1.700 190 H HN 0.669 nan 8.280 nan 0.000 0.542 191 S N 0.977 116.477 115.700 -0.333 0.000 2.540 191 S HA 0.145 4.614 4.470 -0.001 0.000 0.275 191 S C 0.455 174.863 174.600 -0.320 0.000 1.123 191 S CA -0.845 57.192 58.200 -0.272 0.000 0.907 191 S CB 1.525 64.561 63.200 -0.273 0.000 1.081 191 S HN 0.842 nan 8.310 nan 0.000 0.476 192 K N 2.558 122.861 120.400 -0.161 0.000 2.296 192 K HA 0.153 4.473 4.320 -0.001 0.000 0.200 192 K C 0.321 176.905 176.600 -0.027 0.000 1.048 192 K CA 0.293 56.526 56.287 -0.090 0.000 0.966 192 K CB -0.211 32.272 32.500 -0.028 0.000 0.754 192 K HN 0.391 nan 8.250 nan 0.000 0.466 193 K N 0.639 121.019 120.400 -0.034 0.000 2.397 193 K HA 0.049 4.368 4.320 -0.001 0.000 0.265 193 K C 0.616 177.277 176.600 0.102 0.000 0.982 193 K CA 0.217 56.505 56.287 0.002 0.000 0.931 193 K CB 0.634 33.090 32.500 -0.072 0.000 0.943 193 K HN 0.241 nan 8.250 nan 0.000 0.501 194 A N 1.829 124.702 122.820 0.088 0.000 2.379 194 A HA 0.033 4.353 4.320 -0.001 0.000 0.236 194 A C -0.401 177.264 177.584 0.135 0.000 1.272 194 A CA 0.286 52.405 52.037 0.137 0.000 0.886 194 A CB -0.507 18.545 19.000 0.086 0.000 0.962 194 A HN 0.808 nan 8.150 nan 0.000 0.504 195 D N -2.785 117.653 120.400 0.064 0.000 2.552 195 D HA 0.433 5.073 4.640 -0.001 0.000 0.239 195 D C -2.710 173.429 176.300 -0.268 0.000 1.139 195 D CA -1.689 52.300 54.000 -0.019 0.000 0.914 195 D CB 1.300 42.075 40.800 -0.041 0.000 1.461 195 D HN -0.140 nan 8.370 nan 0.000 0.462 196 P HA -0.001 nan 4.420 nan 0.000 0.257 196 P C 0.771 177.862 177.300 -0.348 0.000 1.325 196 P CA 0.080 62.813 63.100 -0.612 0.000 0.850 196 P CB 0.112 31.610 31.700 -0.337 0.000 1.324 197 S N 0.151 115.707 115.700 -0.241 0.000 2.374 197 S HA -0.210 4.259 4.470 -0.001 0.000 0.227 197 S C 1.571 176.034 174.600 -0.229 0.000 1.037 197 S CA 1.470 59.571 58.200 -0.166 0.000 1.024 197 S CB -1.164 61.968 63.200 -0.113 0.000 0.861 197 S HN 0.077 nan 8.310 nan 0.000 0.456 198 D N 1.781 121.939 120.400 -0.402 0.000 2.117 198 D HA -0.013 4.626 4.640 -0.001 0.000 0.197 198 D C 2.100 178.077 176.300 -0.540 0.000 0.987 198 D CA 1.007 54.566 54.000 -0.736 0.000 0.829 198 D CB -0.315 39.709 40.800 -1.293 0.000 0.961 198 D HN 0.348 nan 8.370 nan 0.000 0.460 199 I N 1.348 121.678 120.570 -0.400 0.000 2.179 199 I HA -0.199 3.971 4.170 -0.001 0.000 0.242 199 I C 2.246 178.346 176.117 -0.029 0.000 1.088 199 I CA 1.121 62.314 61.300 -0.178 0.000 1.357 199 I CB -0.972 36.910 38.000 -0.196 0.000 1.051 199 I HN 0.080 nan 8.210 nan 0.000 0.409 200 E N 1.016 121.174 120.200 -0.070 0.000 2.038 200 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 200 E C 2.352 178.987 176.600 0.057 0.000 1.000 200 E CA 1.646 58.054 56.400 0.014 0.000 0.803 200 E CB -0.179 29.544 29.700 0.038 0.000 0.750 200 E HN 0.497 nan 8.360 nan 0.000 0.448 201 A N 0.732 123.581 122.820 0.048 0.000 1.908 201 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 201 A C 2.007 179.692 177.584 0.168 0.000 1.181 201 A CA 1.302 53.400 52.037 0.102 0.000 0.627 201 A CB -0.745 18.325 19.000 0.116 0.000 0.818 201 A HN 0.356 nan 8.150 nan 0.000 0.445 202 F N 0.072 120.087 119.950 0.108 0.000 2.113 202 F HA -0.178 4.348 4.527 -0.000 0.000 0.297 202 F C 2.258 178.138 175.800 0.133 0.000 1.103 202 F CA 1.914 60.010 58.000 0.159 0.000 1.248 202 F CB -0.215 38.888 39.000 0.172 0.000 0.999 202 F HN 0.085 nan 8.300 nan 0.000 0.475 203 M N 0.456 120.104 119.600 0.079 0.000 2.080 203 M HA -0.218 4.262 4.480 -0.001 0.000 0.260 203 M C 2.127 178.431 176.300 0.007 0.000 1.068 203 M CA 1.524 56.848 55.300 0.040 0.000 1.109 203 M CB -1.309 31.360 32.600 0.114 0.000 1.342 203 M HN 0.071 nan 8.290 nan 0.000 0.405 204 K N 0.049 120.463 120.400 0.024 0.000 2.044 204 K HA -0.091 4.228 4.320 -0.001 0.000 0.210 204 K C 1.942 178.535 176.600 -0.012 0.000 1.049 204 K CA 1.807 58.106 56.287 0.020 0.000 0.927 204 K CB -0.553 31.968 32.500 0.035 0.000 0.713 204 K HN 0.392 nan 8.250 nan 0.000 0.443 205 A N -0.009 122.782 122.820 -0.047 0.000 2.123 205 A HA -0.094 4.225 4.320 -0.001 0.000 0.214 205 A C 1.890 179.427 177.584 -0.078 0.000 1.152 205 A CA 0.216 52.220 52.037 -0.055 0.000 0.728 205 A CB -0.672 18.313 19.000 -0.025 0.000 0.814 205 A HN 0.569 nan 8.150 nan 0.000 0.464 206 W N 0.593 121.620 121.300 -0.455 0.000 2.402 206 W HA -0.139 4.521 4.660 -0.001 0.000 0.286 206 W C -0.010 176.381 176.519 -0.214 0.000 1.221 206 W CA 1.108 58.173 57.345 -0.467 0.000 1.257 206 W CB -0.064 28.973 29.460 -0.704 0.000 1.120 206 W HN 0.480 nan 8.180 nan 0.000 0.551 207 N N 1.554 120.185 118.700 -0.114 0.000 2.735 207 N HA -0.297 4.442 4.740 -0.001 0.000 0.248 207 N C -0.187 175.152 175.510 -0.284 0.000 1.083 207 N CA 1.653 54.595 53.050 -0.180 0.000 0.703 207 N CB -2.087 36.283 38.487 -0.195 0.000 1.005 207 N HN 0.368 nan 8.380 nan 0.000 0.550 208 N N 0.291 118.845 118.700 -0.245 0.000 2.686 208 N HA -0.229 4.510 4.740 -0.001 0.000 0.261 208 N C 0.594 175.834 175.510 -0.450 0.000 1.001 208 N CA 1.368 54.292 53.050 -0.210 0.000 0.764 208 N CB -0.708 37.750 38.487 -0.048 0.000 0.898 208 N HN 0.607 nan 8.380 nan 0.000 0.544 209 Q N -0.804 118.342 119.800 -1.090 0.000 2.425 209 Q HA 0.247 4.587 4.340 -0.001 0.000 0.204 209 Q C 1.056 176.834 176.000 -0.369 0.000 0.933 209 Q CA 0.750 56.031 55.803 -0.869 0.000 0.939 209 Q CB 0.587 28.492 28.738 -1.388 0.000 1.044 209 Q HN 0.603 nan 8.270 nan 0.000 0.513 210 G N 0.615 109.426 108.800 0.019 0.000 2.387 210 G HA2 0.282 4.242 3.960 -0.001 0.000 0.294 210 G HA3 0.282 4.242 3.960 -0.001 0.000 0.294 210 G C -3.213 171.969 174.900 0.470 0.000 1.509 210 G CA -1.144 44.152 45.100 0.326 0.000 0.806 210 G HN -0.290 nan 8.290 nan 0.000 0.546 211 P HA 0.369 nan 4.420 nan 0.000 0.266 211 P C -0.412 176.983 177.300 0.159 0.000 1.195 211 P CA -0.149 63.056 63.100 0.174 0.000 0.768 211 P CB 1.185 32.936 31.700 0.085 0.000 0.838 212 V N 4.027 123.990 119.914 0.081 0.000 2.656 212 V HA 0.357 4.476 4.120 -0.001 0.000 0.307 212 V C 0.057 176.092 176.094 -0.098 0.000 1.051 212 V CA -0.629 61.658 62.300 -0.021 0.000 0.893 212 V CB 2.340 34.156 31.823 -0.011 0.000 0.999 212 V HN 0.197 nan 8.190 nan 0.000 0.426 213 V N 5.734 125.554 119.914 -0.156 0.000 2.667 213 V HA 0.665 4.785 4.120 -0.001 0.000 0.308 213 V C -0.215 175.712 176.094 -0.279 0.000 1.048 213 V CA -0.499 61.660 62.300 -0.235 0.000 0.928 213 V CB 1.803 33.485 31.823 -0.235 0.000 1.004 213 V HN 0.847 nan 8.190 nan 0.000 0.444 214 I N 0.887 121.238 120.570 -0.365 0.000 3.074 214 I HA 0.833 5.003 4.170 -0.001 0.000 0.310 214 I C -1.300 174.556 176.117 -0.435 0.000 1.153 214 I CA -1.098 59.998 61.300 -0.341 0.000 0.993 214 I CB 2.592 40.391 38.000 -0.336 0.000 1.237 214 I HN 0.239 nan 8.210 nan 0.000 0.443 215 V N 3.358 123.089 119.914 -0.306 0.000 2.357 215 V HA 0.357 4.477 4.120 -0.001 0.000 0.281 215 V C -2.107 173.827 176.094 -0.265 0.000 1.015 215 V CA -0.970 61.126 62.300 -0.340 0.000 0.827 215 V CB 1.218 32.782 31.823 -0.432 0.000 1.018 215 V HN 0.702 nan 8.190 nan 0.000 0.432 216 P HA 0.064 nan 4.420 nan 0.000 0.253 216 P C 1.445 178.497 177.300 -0.414 0.000 1.281 216 P CA 0.343 62.996 63.100 -0.745 0.000 0.792 216 P CB 0.117 31.757 31.700 -0.100 0.000 1.193 217 T N 0.118 114.604 114.554 -0.114 0.000 2.653 217 T HA -0.205 4.145 4.350 -0.001 0.000 0.268 217 T C 1.564 176.340 174.700 0.126 0.000 1.035 217 T CA 1.629 63.790 62.100 0.101 0.000 1.154 217 T CB -0.313 68.627 68.868 0.121 0.000 0.862 217 T HN 0.322 nan 8.240 nan 0.000 0.441 218 K N 0.372 120.811 120.400 0.065 0.000 2.305 218 K HA 0.034 4.353 4.320 -0.001 0.000 0.199 218 K C 0.567 177.322 176.600 0.258 0.000 1.047 218 K CA 0.538 56.933 56.287 0.181 0.000 0.976 218 K CB 0.158 32.757 32.500 0.165 0.000 0.765 218 K HN 0.649 nan 8.250 nan 0.000 0.474 219 Y N -1.333 119.096 120.300 0.216 0.000 2.631 219 Y HA 0.199 4.748 4.550 -0.001 0.000 0.361 219 Y C 0.730 176.741 175.900 0.186 0.000 0.941 219 Y CA -1.589 56.594 58.100 0.138 0.000 1.327 219 Y CB -0.986 37.541 38.460 0.112 0.000 1.299 219 Y HN 0.047 nan 8.280 nan 0.000 0.578 220 Y N -0.195 120.163 120.300 0.097 0.000 2.497 220 Y HA 0.080 4.629 4.550 -0.001 0.000 0.292 220 Y C 1.237 177.217 175.900 0.133 0.000 1.137 220 Y CA 0.495 58.661 58.100 0.110 0.000 1.285 220 Y CB -0.163 38.338 38.460 0.068 0.000 0.991 220 Y HN 0.124 nan 8.280 nan 0.000 0.556 221 K N 0.344 120.462 120.400 -0.471 0.000 2.432 221 K HA 0.041 4.360 4.320 -0.001 0.000 0.196 221 K C 0.339 176.905 176.600 -0.057 0.000 1.038 221 K CA 0.643 56.749 56.287 -0.301 0.000 0.986 221 K CB -0.140 32.132 32.500 -0.380 0.000 0.782 221 K HN 0.155 nan 8.250 nan 0.000 0.485 222 T N 4.163 118.748 114.554 0.053 0.000 2.793 222 T HA 0.058 4.408 4.350 -0.001 0.000 0.289 222 T C -2.433 172.233 174.700 -0.056 0.000 0.956 222 T CA -0.944 61.181 62.100 0.043 0.000 1.177 222 T CB 0.372 69.336 68.868 0.160 0.000 0.897 222 T HN -0.026 nan 8.240 nan 0.000 0.533 223 P HA 0.012 nan 4.420 nan 0.000 0.261 223 P C 1.016 178.222 177.300 -0.157 0.000 1.173 223 P CA 0.205 63.268 63.100 -0.061 0.000 0.760 223 P CB 0.356 32.031 31.700 -0.043 0.000 0.783 224 T N 0.931 115.498 114.554 0.021 0.000 2.833 224 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 224 T C 1.201 175.974 174.700 0.123 0.000 1.054 224 T CA 1.369 63.574 62.100 0.174 0.000 1.135 224 T CB -0.511 68.605 68.868 0.413 0.000 0.869 224 T HN 0.478 nan 8.240 nan 0.000 0.466 225 D N 0.190 120.643 120.400 0.089 0.000 2.221 225 D HA -0.116 4.524 4.640 -0.001 0.000 0.204 225 D C 1.689 178.048 176.300 0.099 0.000 0.982 225 D CA 0.930 54.990 54.000 0.100 0.000 0.857 225 D CB -0.332 40.508 40.800 0.067 0.000 0.934 225 D HN 0.620 nan 8.370 nan 0.000 0.475 226 H N -0.917 118.068 119.070 -0.142 0.000 2.423 226 H HA -0.127 4.428 4.556 -0.001 0.000 0.297 226 H C 1.782 177.070 175.328 -0.068 0.000 1.075 226 H CA 0.689 56.642 56.048 -0.159 0.000 1.342 226 H CB 0.084 29.681 29.762 -0.276 0.000 1.395 226 H HN 0.015 nan 8.280 nan 0.000 0.530 227 F N 1.060 121.053 119.950 0.073 0.000 2.134 227 F HA -0.097 4.430 4.527 -0.001 0.000 0.299 227 F C 2.651 178.465 175.800 0.023 0.000 1.097 227 F CA 0.945 58.934 58.000 -0.019 0.000 1.264 227 F CB -0.634 38.378 39.000 0.021 0.000 1.001 227 F HN 0.084 nan 8.300 nan 0.000 0.479 228 R N 0.233 120.875 120.500 0.236 0.000 2.105 228 R HA -0.162 4.178 4.340 -0.001 0.000 0.239 228 R C 1.683 178.061 176.300 0.130 0.000 1.135 228 R CA 1.551 57.742 56.100 0.152 0.000 0.967 228 R CB -0.642 29.741 30.300 0.139 0.000 0.861 228 R HN 0.301 nan 8.270 nan 0.000 0.442 229 D N 0.439 120.929 120.400 0.151 0.000 2.219 229 D HA -0.113 4.527 4.640 -0.001 0.000 0.205 229 D C 1.726 178.110 176.300 0.140 0.000 0.970 229 D CA 1.195 55.280 54.000 0.142 0.000 0.851 229 D CB 0.028 40.932 40.800 0.173 0.000 0.943 229 D HN 0.274 nan 8.370 nan 0.000 0.488 230 M N -0.888 118.801 119.600 0.150 0.000 2.506 230 M HA 0.097 4.577 4.480 -0.001 0.000 0.260 230 M C 1.233 177.598 176.300 0.109 0.000 1.104 230 M CA 0.694 56.068 55.300 0.123 0.000 1.112 230 M CB 0.615 33.275 32.600 0.100 0.000 1.401 230 M HN 0.063 nan 8.290 nan 0.000 0.473 231 G N 0.801 109.662 108.800 0.102 0.000 2.132 231 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.234 231 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.234 231 G C 0.053 174.999 174.900 0.076 0.000 0.989 231 G CA -0.255 44.895 45.100 0.084 0.000 0.676 231 G HN 0.284 nan 8.290 nan 0.000 0.522 232 V N 0.926 120.880 119.914 0.066 0.000 2.694 232 V HA 0.294 4.414 4.120 -0.001 0.000 0.306 232 V C 1.782 177.851 176.094 -0.042 0.000 1.054 232 V CA 1.444 63.748 62.300 0.007 0.000 1.161 232 V CB 1.521 33.315 31.823 -0.048 0.000 0.916 232 V HN 0.581 nan 8.190 nan 0.000 0.490 233 S N 4.483 120.149 115.700 -0.058 0.000 2.446 233 S HA 0.202 4.671 4.470 -0.001 0.000 0.225 233 S C 0.416 174.910 174.600 -0.177 0.000 1.016 233 S CA 0.513 58.663 58.200 -0.082 0.000 0.943 233 S CB -0.042 63.139 63.200 -0.033 0.000 0.786 233 S HN 0.710 nan 8.310 nan 0.000 0.508 234 M N 0.790 120.243 119.600 -0.245 0.000 2.471 234 M HA 0.498 4.978 4.480 -0.001 0.000 0.284 234 M C -2.348 173.673 176.300 -0.465 0.000 1.203 234 M CA -0.556 54.532 55.300 -0.353 0.000 0.915 234 M CB 2.030 34.473 32.600 -0.261 0.000 1.734 234 M HN -0.131 nan 8.290 nan 0.000 0.485 235 V N 4.330 123.879 119.914 -0.609 0.000 2.628 235 V HA 0.591 4.711 4.120 -0.001 0.000 0.306 235 V C -0.710 174.902 176.094 -0.804 0.000 1.045 235 V CA -0.577 61.275 62.300 -0.746 0.000 0.905 235 V CB 2.153 33.471 31.823 -0.842 0.000 0.997 235 V HN 0.758 nan 8.190 nan 0.000 0.436 236 I N 3.370 123.437 120.570 -0.839 0.000 2.355 236 I HA 0.331 4.501 4.170 -0.001 0.000 0.288 236 I C -0.909 174.845 176.117 -0.605 0.000 0.999 236 I CA -0.184 60.649 61.300 -0.778 0.000 1.163 236 I CB 1.389 38.788 38.000 -1.000 0.000 1.316 236 I HN 0.639 nan 8.210 nan 0.000 0.454 237 W N 5.871 127.105 121.300 -0.109 0.000 2.422 237 W HA 0.419 5.079 4.660 -0.001 0.000 0.349 237 W C 1.201 177.765 176.519 0.074 0.000 1.062 237 W CA -0.742 56.609 57.345 0.010 0.000 1.497 237 W CB 0.934 30.382 29.460 -0.020 0.000 1.407 237 W HN 0.632 nan 8.180 nan 0.000 0.393 238 A N 3.255 126.224 122.820 0.247 0.000 1.933 238 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 238 A C 1.329 179.050 177.584 0.228 0.000 1.175 238 A CA 2.078 54.214 52.037 0.165 0.000 0.628 238 A CB -0.286 18.739 19.000 0.041 0.000 0.814 238 A HN 0.739 nan 8.150 nan 0.000 0.444 239 N N -3.168 115.535 118.700 0.005 0.000 2.228 239 N HA 0.099 4.839 4.740 -0.001 0.000 0.237 239 N C 0.069 175.463 175.510 -0.193 0.000 1.382 239 N CA 0.062 53.077 53.050 -0.058 0.000 0.787 239 N CB -0.981 37.447 38.487 -0.097 0.000 1.320 239 N HN 0.382 nan 8.380 nan 0.000 0.507 240 H N -0.451 118.668 119.070 0.083 0.000 2.495 240 H HA 0.227 4.783 4.556 -0.001 0.000 0.287 240 H C 1.252 176.609 175.328 0.048 0.000 1.033 240 H CA 0.827 56.895 56.048 0.034 0.000 1.307 240 H CB 0.133 29.890 29.762 -0.009 0.000 1.401 240 H HN 0.242 nan 8.280 nan 0.000 0.555 241 N N 0.364 119.169 118.700 0.174 0.000 2.216 241 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 241 N C 1.903 177.539 175.510 0.210 0.000 1.017 241 N CA 0.509 53.661 53.050 0.170 0.000 0.861 241 N CB -0.202 38.374 38.487 0.149 0.000 0.986 241 N HN 0.279 nan 8.380 nan 0.000 0.428 242 L N 1.576 122.911 121.223 0.186 0.000 2.017 242 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 242 L C 2.138 178.980 176.870 -0.047 0.000 1.073 242 L CA 1.600 56.413 54.840 -0.044 0.000 0.745 242 L CB -0.218 41.727 42.059 -0.189 0.000 0.894 242 L HN -0.028 nan 8.230 nan 0.000 0.432 243 R N -0.423 120.058 120.500 -0.032 0.000 2.092 243 R HA -0.053 4.287 4.340 -0.001 0.000 0.231 243 R C 2.293 178.589 176.300 -0.007 0.000 1.119 243 R CA 1.191 57.269 56.100 -0.038 0.000 0.970 243 R CB -0.641 29.621 30.300 -0.064 0.000 0.864 243 R HN 0.546 nan 8.270 nan 0.000 0.440 244 A N 0.128 122.963 122.820 0.025 0.000 1.930 244 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 244 A C 2.154 179.752 177.584 0.023 0.000 1.175 244 A CA 1.658 53.711 52.037 0.027 0.000 0.627 244 A CB -0.508 18.518 19.000 0.043 0.000 0.815 244 A HN 0.291 nan 8.150 nan 0.000 0.443 245 S N -0.595 115.127 115.700 0.036 0.000 2.355 245 S HA -0.124 4.346 4.470 -0.001 0.000 0.222 245 S C 1.939 176.539 174.600 0.001 0.000 1.031 245 S CA 1.598 59.817 58.200 0.032 0.000 0.993 245 S CB -0.487 62.753 63.200 0.067 0.000 0.859 245 S HN 0.287 nan 8.310 nan 0.000 0.453 246 V N 1.368 121.269 119.914 -0.021 0.000 2.287 246 V HA -0.155 3.964 4.120 -0.001 0.000 0.248 246 V C 2.752 178.835 176.094 -0.019 0.000 1.053 246 V CA 2.217 64.499 62.300 -0.030 0.000 1.027 246 V CB -1.199 30.598 31.823 -0.044 0.000 0.646 246 V HN 0.667 nan 8.190 nan 0.000 0.447 247 S N 0.009 115.701 115.700 -0.014 0.000 2.359 247 S HA -0.283 4.186 4.470 -0.001 0.000 0.222 247 S C 2.122 176.719 174.600 -0.005 0.000 1.038 247 S CA 2.152 60.347 58.200 -0.010 0.000 1.051 247 S CB -0.482 62.714 63.200 -0.006 0.000 0.944 247 S HN 0.645 nan 8.310 nan 0.000 0.433 248 A N 0.945 123.765 122.820 -0.001 0.000 1.933 248 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 248 A C 2.193 179.777 177.584 -0.001 0.000 1.175 248 A CA 1.537 53.575 52.037 0.001 0.000 0.628 248 A CB -0.701 18.302 19.000 0.006 0.000 0.814 248 A HN 0.665 nan 8.150 nan 0.000 0.444 249 I N -0.855 119.713 120.570 -0.003 0.000 2.500 249 I HA -0.227 3.942 4.170 -0.001 0.000 0.252 249 I C 2.661 178.773 176.117 -0.009 0.000 1.142 249 I CA 0.946 62.242 61.300 -0.006 0.000 1.451 249 I CB -0.344 37.651 38.000 -0.009 0.000 1.093 249 I HN 0.436 nan 8.210 nan 0.000 0.430 250 Q N 0.374 120.166 119.800 -0.012 0.000 2.079 250 Q HA -0.214 4.125 4.340 -0.001 0.000 0.200 250 Q C 2.188 178.184 176.000 -0.007 0.000 0.974 250 Q CA 1.293 57.087 55.803 -0.016 0.000 0.840 250 Q CB -0.065 28.662 28.738 -0.019 0.000 0.898 250 Q HN 0.573 nan 8.270 nan 0.000 0.430 251 Q N -0.385 119.414 119.800 -0.002 0.000 2.083 251 Q HA -0.086 4.253 4.340 -0.001 0.000 0.198 251 Q C 2.065 178.071 176.000 0.011 0.000 0.969 251 Q CA 1.483 57.288 55.803 0.004 0.000 0.838 251 Q CB 0.101 28.840 28.738 0.003 0.000 0.900 251 Q HN 0.307 nan 8.270 nan 0.000 0.436 252 T N 0.417 114.976 114.554 0.008 0.000 2.788 252 T HA -0.121 4.228 4.350 -0.001 0.000 0.268 252 T C 1.896 176.610 174.700 0.023 0.000 1.044 252 T CA 1.668 63.776 62.100 0.012 0.000 1.139 252 T CB -0.285 68.587 68.868 0.006 0.000 0.867 252 T HN 0.311 nan 8.240 nan 0.000 0.454 253 T N 1.548 116.114 114.554 0.020 0.000 2.737 253 T HA -0.055 4.295 4.350 -0.001 0.000 0.265 253 T C 1.967 176.706 174.700 0.065 0.000 1.038 253 T CA 1.124 63.243 62.100 0.033 0.000 1.144 253 T CB -0.160 68.711 68.868 0.005 0.000 0.866 253 T HN 0.379 nan 8.240 nan 0.000 0.434 254 K N 0.590 121.017 120.400 0.045 0.000 2.097 254 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 254 K C 2.441 179.105 176.600 0.108 0.000 1.049 254 K CA 1.367 57.698 56.287 0.074 0.000 0.933 254 K CB -0.068 32.452 32.500 0.034 0.000 0.717 254 K HN 0.148 nan 8.250 nan 0.000 0.442 255 Q N 0.994 120.833 119.800 0.066 0.000 2.079 255 Q HA -0.044 4.296 4.340 -0.001 0.000 0.200 255 Q C 1.774 177.805 176.000 0.052 0.000 0.974 255 Q CA 1.590 57.423 55.803 0.050 0.000 0.840 255 Q CB -0.019 28.736 28.738 0.028 0.000 0.898 255 Q HN 0.438 nan 8.270 nan 0.000 0.430 256 I N -0.475 120.131 120.570 0.060 0.000 2.546 256 I HA -0.189 3.981 4.170 -0.001 0.000 0.255 256 I C 1.734 177.887 176.117 0.059 0.000 1.163 256 I CA 0.711 62.039 61.300 0.046 0.000 1.457 256 I CB -0.271 37.755 38.000 0.043 0.000 1.092 256 I HN 0.258 nan 8.210 nan 0.000 0.434 257 Y N 2.077 122.374 120.300 -0.006 0.000 2.133 257 Y HA -0.257 4.292 4.550 -0.001 0.000 0.287 257 Y C 2.201 178.098 175.900 -0.004 0.000 1.134 257 Y CA 1.717 59.814 58.100 -0.005 0.000 1.133 257 Y CB -0.180 38.277 38.460 -0.005 0.000 0.987 257 Y HN 0.144 nan 8.280 nan 0.000 0.502 258 D N 0.065 120.491 120.400 0.044 0.000 2.077 258 D HA -0.168 4.472 4.640 -0.001 0.000 0.196 258 D C 1.739 177.991 176.300 -0.082 0.000 0.986 258 D CA 1.694 55.674 54.000 -0.033 0.000 0.829 258 D CB -0.450 40.385 40.800 0.057 0.000 0.983 258 D HN 0.390 nan 8.370 nan 0.000 0.453 259 D N 0.330 120.708 120.400 -0.037 0.000 2.144 259 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 259 D C 0.671 176.934 176.300 -0.063 0.000 0.984 259 D CA 0.663 54.639 54.000 -0.040 0.000 0.834 259 D CB -0.076 40.713 40.800 -0.017 0.000 0.955 259 D HN 0.236 nan 8.370 nan 0.000 0.465 260 Q N -0.951 118.802 119.800 -0.078 0.000 2.493 260 Q HA -0.177 4.162 4.340 -0.001 0.000 0.278 260 Q C -0.805 175.167 176.000 -0.046 0.000 1.216 260 Q CA 0.663 56.416 55.803 -0.084 0.000 0.875 260 Q CB -1.181 27.491 28.738 -0.110 0.000 1.262 260 Q HN 0.208 nan 8.270 nan 0.000 0.468 261 S N -1.720 113.963 115.700 -0.030 0.000 2.595 261 S HA 0.584 5.054 4.470 -0.001 0.000 0.270 261 S C -0.105 174.489 174.600 -0.010 0.000 1.145 261 S CA -0.684 57.505 58.200 -0.019 0.000 0.825 261 S CB 1.121 64.311 63.200 -0.018 0.000 1.107 261 S HN 0.216 nan 8.310 nan 0.000 0.461 262 L N 2.480 123.698 121.223 -0.008 0.000 2.408 262 L HA 0.152 4.492 4.340 -0.001 0.000 0.215 262 L C 2.569 179.436 176.870 -0.005 0.000 1.081 262 L CA 0.866 55.704 54.840 -0.005 0.000 0.840 262 L CB -0.380 41.675 42.059 -0.005 0.000 1.002 262 L HN 0.746 nan 8.230 nan 0.000 0.468 263 V N -1.617 118.293 119.914 -0.006 0.000 2.353 263 V HA -0.345 3.775 4.120 -0.001 0.000 0.260 263 V C 1.666 177.757 176.094 -0.005 0.000 1.091 263 V CA 2.365 64.661 62.300 -0.006 0.000 1.088 263 V CB -0.824 30.995 31.823 -0.007 0.000 0.672 263 V HN 0.551 nan 8.190 nan 0.000 0.455 264 N N 0.448 119.146 118.700 -0.004 0.000 2.398 264 N HA 0.132 4.872 4.740 -0.001 0.000 0.188 264 N C 1.266 176.775 175.510 -0.001 0.000 1.122 264 N CA 1.338 54.387 53.050 -0.002 0.000 0.866 264 N CB 1.159 39.646 38.487 -0.000 0.000 0.970 264 N HN 0.801 nan 8.380 nan 0.000 0.462 265 V N -3.314 116.599 119.914 -0.002 0.000 3.480 265 V HA 0.242 4.361 4.120 -0.001 0.000 0.263 265 V C 1.840 177.931 176.094 -0.007 0.000 1.442 265 V CA 0.082 62.381 62.300 -0.002 0.000 1.053 265 V CB 0.269 32.092 31.823 0.000 0.000 0.846 265 V HN -0.177 nan 8.190 nan 0.000 0.440 266 E N 2.280 122.476 120.200 -0.008 0.000 2.219 266 E HA -0.229 4.120 4.350 -0.001 0.000 0.198 266 E C 1.287 177.879 176.600 -0.013 0.000 0.998 266 E CA 2.086 58.479 56.400 -0.012 0.000 0.818 266 E CB -0.309 29.385 29.700 -0.011 0.000 0.741 266 E HN 0.745 nan 8.360 nan 0.000 0.477 267 D N -0.897 119.497 120.400 -0.010 0.000 2.388 267 D HA 0.089 4.729 4.640 -0.001 0.000 0.221 267 D C 0.310 176.605 176.300 -0.009 0.000 1.133 267 D CA 0.125 54.120 54.000 -0.010 0.000 0.831 267 D CB 0.426 41.221 40.800 -0.007 0.000 0.962 267 D HN 0.193 nan 8.370 nan 0.000 0.502 268 K N 0.416 120.811 120.400 -0.009 0.000 2.447 268 K HA 0.261 4.580 4.320 -0.001 0.000 0.205 268 K C 0.677 177.272 176.600 -0.009 0.000 1.059 268 K CA 0.053 56.335 56.287 -0.008 0.000 1.065 268 K CB 1.430 33.927 32.500 -0.005 0.000 0.885 268 K HN 0.176 nan 8.250 nan 0.000 0.545 269 I N -2.253 118.308 120.570 -0.014 0.000 3.042 269 I HA 0.472 4.642 4.170 -0.001 0.000 0.310 269 I C 0.377 176.479 176.117 -0.025 0.000 1.117 269 I CA -1.568 59.722 61.300 -0.017 0.000 1.003 269 I CB 1.469 39.458 38.000 -0.019 0.000 1.228 269 I HN -0.268 nan 8.210 nan 0.000 0.443 270 V N 1.174 121.070 119.914 -0.029 0.000 3.185 270 V HA 0.423 4.542 4.120 -0.001 0.000 0.305 270 V C 0.732 176.791 176.094 -0.058 0.000 1.090 270 V CA 0.105 62.382 62.300 -0.038 0.000 1.107 270 V CB 1.034 32.835 31.823 -0.038 0.000 1.061 270 V HN 1.046 nan 8.190 nan 0.000 0.480 271 S N 1.388 117.048 115.700 -0.067 0.000 2.645 271 S HA 0.309 4.779 4.470 -0.001 0.000 0.266 271 S C 0.805 175.306 174.600 -0.166 0.000 1.258 271 S CA -0.017 58.127 58.200 -0.093 0.000 0.990 271 S CB 1.283 64.440 63.200 -0.073 0.000 0.967 271 S HN 0.902 nan 8.310 nan 0.000 0.556 272 V N 1.873 121.650 119.914 -0.228 0.000 2.759 272 V HA -0.111 4.009 4.120 -0.001 0.000 0.256 272 V C 2.312 177.960 176.094 -0.743 0.000 1.080 272 V CA 1.592 63.626 62.300 -0.444 0.000 1.101 272 V CB -0.892 30.688 31.823 -0.405 0.000 0.698 272 V HN 0.826 nan 8.190 nan 0.000 0.477 273 K N 0.027 120.193 120.400 -0.391 0.000 2.296 273 K HA -0.125 4.195 4.320 -0.001 0.000 0.200 273 K C 2.001 178.538 176.600 -0.106 0.000 1.048 273 K CA 0.918 57.083 56.287 -0.204 0.000 0.966 273 K CB 0.063 32.562 32.500 -0.002 0.000 0.754 273 K HN 0.391 nan 8.250 nan 0.000 0.466 274 E N 1.829 121.954 120.200 -0.125 0.000 2.072 274 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 274 E C 1.851 178.416 176.600 -0.059 0.000 0.985 274 E CA 0.847 57.212 56.400 -0.059 0.000 0.801 274 E CB -0.020 29.646 29.700 -0.056 0.000 0.750 274 E HN 0.054 nan 8.360 nan 0.000 0.452 275 I N 0.484 120.964 120.570 -0.150 0.000 2.226 275 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 275 I C 1.903 178.040 176.117 0.033 0.000 1.100 275 I CA 1.075 62.313 61.300 -0.103 0.000 1.374 275 I CB -1.321 36.565 38.000 -0.190 0.000 1.057 275 I HN 0.113 nan 8.210 nan 0.000 0.413 276 F N 1.106 121.061 119.950 0.008 0.000 2.202 276 F HA -0.162 4.364 4.527 -0.001 0.000 0.301 276 F C 2.713 178.521 175.800 0.013 0.000 1.082 276 F CA 1.111 59.117 58.000 0.010 0.000 1.313 276 F CB -1.148 37.858 39.000 0.010 0.000 1.024 276 F HN 0.130 nan 8.300 nan 0.000 0.495 277 R N 0.396 121.009 120.500 0.188 0.000 2.093 277 R HA -0.058 4.281 4.340 -0.001 0.000 0.224 277 R C 2.140 178.491 176.300 0.085 0.000 1.101 277 R CA 0.804 56.972 56.100 0.113 0.000 0.979 277 R CB -0.300 30.047 30.300 0.077 0.000 0.877 277 R HN 0.286 nan 8.270 nan 0.000 0.441 278 L N 0.603 121.870 121.223 0.073 0.000 2.141 278 L HA -0.132 4.208 4.340 -0.001 0.000 0.209 278 L C 2.136 179.047 176.870 0.068 0.000 1.094 278 L CA 1.261 56.135 54.840 0.057 0.000 0.763 278 L CB -0.194 41.887 42.059 0.037 0.000 0.908 278 L HN 0.254 nan 8.230 nan 0.000 0.437 279 Q N -0.065 119.791 119.800 0.094 0.000 2.482 279 Q HA -0.001 4.338 4.340 -0.001 0.000 0.209 279 Q C -0.088 175.959 176.000 0.079 0.000 0.961 279 Q CA -0.073 55.785 55.803 0.092 0.000 0.945 279 Q CB 0.236 29.050 28.738 0.126 0.000 1.012 279 Q HN 0.217 nan 8.270 nan 0.000 0.515 280 R N 0.634 121.181 120.500 0.078 0.000 3.423 280 R HA -0.207 4.133 4.340 -0.001 0.000 0.271 280 R C 0.043 176.372 176.300 0.050 0.000 1.093 280 R CA 0.987 57.124 56.100 0.061 0.000 0.730 280 R CB -2.252 28.079 30.300 0.052 0.000 1.190 280 R HN 0.442 nan 8.270 nan 0.000 0.437 281 D N 1.381 121.815 120.400 0.056 0.000 2.221 281 D HA -0.161 4.479 4.640 -0.001 0.000 0.204 281 D C 1.309 177.604 176.300 -0.007 0.000 0.982 281 D CA 1.921 55.923 54.000 0.003 0.000 0.857 281 D CB 0.127 40.904 40.800 -0.038 0.000 0.934 281 D HN 0.652 nan 8.370 nan 0.000 0.475 282 D N -0.071 120.340 120.400 0.019 0.000 2.123 282 D HA -0.218 4.422 4.640 -0.001 0.000 0.196 282 D C 1.848 178.158 176.300 0.016 0.000 0.992 282 D CA 0.895 54.905 54.000 0.016 0.000 0.833 282 D CB -0.492 40.326 40.800 0.030 0.000 0.954 282 D HN 0.135 nan 8.370 nan 0.000 0.455 283 E N 0.377 120.592 120.200 0.025 0.000 2.110 283 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 283 E C 2.001 178.621 176.600 0.034 0.000 0.988 283 E CA 0.535 56.955 56.400 0.032 0.000 0.804 283 E CB -0.222 29.500 29.700 0.038 0.000 0.745 283 E HN 0.360 nan 8.360 nan 0.000 0.458 284 L N 0.396 121.632 121.223 0.022 0.000 2.056 284 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 284 L C 2.491 179.371 176.870 0.016 0.000 1.078 284 L CA 1.194 56.046 54.840 0.020 0.000 0.749 284 L CB -0.619 41.440 42.059 -0.001 0.000 0.901 284 L HN -0.060 nan 8.230 nan 0.000 0.433 285 V N -0.230 119.683 119.914 -0.002 0.000 2.233 285 V HA -0.384 3.736 4.120 -0.001 0.000 0.247 285 V C 2.566 178.663 176.094 0.005 0.000 1.050 285 V CA 2.311 64.606 62.300 -0.009 0.000 1.010 285 V CB -0.776 31.036 31.823 -0.018 0.000 0.637 285 V HN 0.567 nan 8.190 nan 0.000 0.444 286 Q N -0.439 119.367 119.800 0.010 0.000 2.135 286 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 286 Q C 2.332 178.341 176.000 0.014 0.000 0.981 286 Q CA 1.725 57.532 55.803 0.007 0.000 0.856 286 Q CB -0.371 28.372 28.738 0.009 0.000 0.902 286 Q HN 0.703 nan 8.270 nan 0.000 0.425 287 A N 1.142 123.999 122.820 0.061 0.000 1.970 287 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 287 A C 1.737 179.424 177.584 0.173 0.000 1.170 287 A CA 0.967 53.095 52.037 0.150 0.000 0.645 287 A CB -0.184 18.950 19.000 0.223 0.000 0.816 287 A HN 0.290 nan 8.150 nan 0.000 0.447 288 E N 0.014 120.275 120.200 0.101 0.000 2.204 288 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 288 E C 1.027 177.651 176.600 0.039 0.000 0.989 288 E CA 0.931 57.381 56.400 0.084 0.000 0.824 288 E CB -0.100 29.625 29.700 0.040 0.000 0.756 288 E HN 0.509 nan 8.360 nan 0.000 0.477 289 D N 0.752 121.153 120.400 0.002 0.000 2.149 289 D HA -0.084 4.555 4.640 -0.001 0.000 0.201 289 D C 1.583 177.832 176.300 -0.085 0.000 0.972 289 D CA 1.002 54.983 54.000 -0.032 0.000 0.835 289 D CB 0.081 40.860 40.800 -0.035 0.000 0.966 289 D HN 0.083 nan 8.370 nan 0.000 0.476 290 K N -0.638 119.663 120.400 -0.165 0.000 2.305 290 K HA -0.037 4.282 4.320 -0.001 0.000 0.199 290 K C 0.883 177.172 176.600 -0.518 0.000 1.047 290 K CA 0.550 56.597 56.287 -0.398 0.000 0.976 290 K CB 0.327 32.450 32.500 -0.630 0.000 0.765 290 K HN 0.235 nan 8.250 nan 0.000 0.474 291 Y N -0.327 119.970 120.300 -0.004 0.000 2.471 291 Y HA 0.258 4.808 4.550 -0.000 0.000 0.249 291 Y C 0.314 176.211 175.900 -0.005 0.000 1.116 291 Y CA -0.409 57.688 58.100 -0.004 0.000 1.240 291 Y CB 0.716 39.174 38.460 -0.004 0.000 1.251 291 Y HN -0.194 nan 8.280 nan 0.000 0.527 292 L N 3.716 125.005 121.223 0.110 0.000 2.289 292 L HA 0.357 4.696 4.340 -0.001 0.000 0.285 292 L C -1.544 175.346 176.870 0.033 0.000 1.049 292 L CA -1.974 52.905 54.840 0.065 0.000 0.804 292 L CB 0.770 42.855 42.059 0.045 0.000 1.195 292 L HN 0.033 nan 8.230 nan 0.000 0.428 293 P HA 0.000 nan 4.420 nan 0.000 0.216 293 P CA 0.000 63.109 63.100 0.015 0.000 0.800 293 P CB 0.000 31.709 31.700 0.016 0.000 0.726