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 3ddm_1_C DATA FIRST_RESID 8 DATA SEQUENCE ASITPARVRA HVFRYPVXXX XXXXXXXXHD RPAVLVEVED SDGAVGWGEV DATA SEQUENCE WCNFPACGAE HRARLVETVL APLLTARAFA DPAQAFAHLE ARTAVLAIQT DATA SEQUENCE GEPGPLAQAI AGLDIALCDL AARRAGQPLW AWLGGSGDRI GVYASGINPE DATA SEQUENCE NPEDVVARKA AEGYRAFKLK VGFDDARDVR NALHVRELLG AATPLMADAN DATA SEQUENCE QGWDLPRARQ MAQRLGPAQL DWLEEPLRAD RPAAEWAELA QAAPMPLAGG DATA SEQUENCE ENIAGVAAFE TALAARSLRV MQPDLAKWGG FSGCLPVARA VVAAGLRYCP DATA SEQUENCE HYLGAGIGLQ ASAHLLAAVP GLASPGLLGV DANDNPLRSL LSPALATLHE DATA SEQUENCE GRITLGGAPG LGVTPDLAAL RAAC 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.611 177.584 0.045 0.000 1.274 8 A CA 0.000 52.056 52.037 0.031 0.000 0.836 8 A CB 0.000 19.014 19.000 0.024 0.000 0.831 9 S N 0.717 116.439 115.700 0.037 0.000 2.632 9 S HA 0.797 5.267 4.470 -0.000 0.000 0.271 9 S C -0.093 174.543 174.600 0.061 0.000 1.260 9 S CA -0.492 57.739 58.200 0.053 0.000 1.010 9 S CB 0.588 63.806 63.200 0.030 0.000 0.965 9 S HN 0.719 nan 8.310 nan 0.000 0.534 10 I N 1.579 122.210 120.570 0.102 0.000 2.359 10 I HA 0.280 4.450 4.170 -0.000 0.000 0.294 10 I C -0.243 175.957 176.117 0.137 0.000 0.987 10 I CA -0.424 60.937 61.300 0.103 0.000 1.225 10 I CB 1.866 39.929 38.000 0.104 0.000 1.366 10 I HN 0.674 nan 8.210 nan 0.000 0.466 11 T N 6.437 121.041 114.554 0.083 0.000 3.250 11 T HA 0.289 4.639 4.350 -0.000 0.000 0.391 11 T C -2.481 172.259 174.700 0.067 0.000 1.502 11 T CA -1.312 60.832 62.100 0.074 0.000 1.320 11 T CB 0.597 69.479 68.868 0.024 0.000 1.102 11 T HN 0.237 nan 8.240 nan 0.000 0.610 12 P HA 0.227 nan 4.420 nan 0.000 0.264 12 P C 0.197 177.520 177.300 0.038 0.000 1.193 12 P CA 0.095 63.228 63.100 0.055 0.000 0.763 12 P CB 0.788 32.532 31.700 0.073 0.000 0.810 13 A N 4.193 127.018 122.820 0.008 0.000 2.026 13 A HA 0.186 4.506 4.320 -0.000 0.000 0.198 13 A C 0.798 178.378 177.584 -0.007 0.000 1.390 13 A CA 0.548 52.586 52.037 0.003 0.000 0.915 13 A CB 0.202 19.200 19.000 -0.003 0.000 0.974 13 A HN 0.474 nan 8.150 nan 0.000 0.477 14 R N -0.137 120.350 120.500 -0.023 0.000 2.538 14 R HA 0.580 4.920 4.340 -0.000 0.000 0.292 14 R C -2.340 173.925 176.300 -0.059 0.000 1.008 14 R CA -0.190 55.890 56.100 -0.034 0.000 0.896 14 R CB 2.023 32.304 30.300 -0.031 0.000 1.187 14 R HN 0.031 nan 8.270 nan 0.000 0.440 15 V N 5.140 125.019 119.914 -0.059 0.000 2.531 15 V HA 0.619 4.739 4.120 -0.000 0.000 0.301 15 V C -0.336 175.705 176.094 -0.089 0.000 1.034 15 V CA -0.739 61.511 62.300 -0.082 0.000 0.865 15 V CB 1.801 33.586 31.823 -0.063 0.000 0.995 15 V HN 0.773 nan 8.190 nan 0.000 0.424 16 R N 2.550 122.983 120.500 -0.112 0.000 2.808 16 R HA 0.905 5.245 4.340 -0.000 0.000 0.272 16 R C -0.994 175.208 176.300 -0.164 0.000 0.995 16 R CA -0.823 55.191 56.100 -0.144 0.000 0.917 16 R CB 2.636 32.864 30.300 -0.120 0.000 1.217 16 R HN 0.751 nan 8.270 nan 0.000 0.471 17 A N 1.343 123.991 122.820 -0.287 0.000 2.371 17 A HA 0.647 4.967 4.320 -0.000 0.000 0.311 17 A C -1.500 175.839 177.584 -0.409 0.000 1.068 17 A CA -0.690 51.238 52.037 -0.181 0.000 0.744 17 A CB 0.971 19.916 19.000 -0.091 0.000 1.239 17 A HN 0.787 nan 8.150 nan 0.000 0.435 18 H N 0.168 119.293 119.070 0.092 0.000 2.547 18 H HA 0.545 5.101 4.556 -0.000 0.000 0.342 18 H C -0.679 174.606 175.328 -0.072 0.000 1.048 18 H CA -0.586 55.467 56.048 0.008 0.000 1.204 18 H CB 1.779 31.656 29.762 0.192 0.000 1.493 18 H HN 0.388 nan 8.280 nan 0.000 0.511 19 V N 4.342 124.134 119.914 -0.204 0.000 2.427 19 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 19 V C -0.600 175.219 176.094 -0.459 0.000 1.034 19 V CA -0.496 61.700 62.300 -0.175 0.000 0.893 19 V CB 0.459 32.217 31.823 -0.109 0.000 0.982 19 V HN 0.563 nan 8.190 nan 0.000 0.452 20 F N 3.448 123.441 119.950 0.070 0.000 2.576 20 F HA 0.722 5.248 4.527 -0.000 0.000 0.313 20 F C 0.320 176.149 175.800 0.048 0.000 1.078 20 F CA -0.818 57.219 58.000 0.063 0.000 0.921 20 F CB 2.251 41.289 39.000 0.064 0.000 1.232 20 F HN 0.251 nan 8.300 nan 0.000 0.459 21 R N 2.341 122.976 120.500 0.226 0.000 2.539 21 R HA 0.218 4.558 4.340 -0.000 0.000 0.295 21 R C -1.948 174.457 176.300 0.175 0.000 1.138 21 R CA -0.853 55.334 56.100 0.146 0.000 0.936 21 R CB 2.015 32.351 30.300 0.059 0.000 1.182 21 R HN 0.661 nan 8.270 nan 0.000 0.459 22 Y N 4.673 125.003 120.300 0.051 0.000 2.367 22 Y HA 0.363 4.913 4.550 -0.000 0.000 0.342 22 Y C -2.420 173.488 175.900 0.014 0.000 0.979 22 Y CA -2.344 55.774 58.100 0.031 0.000 1.161 22 Y CB 1.258 39.726 38.460 0.013 0.000 1.155 22 Y HN 0.399 nan 8.280 nan 0.000 0.503 23 P HA 0.091 nan 4.420 nan 0.000 0.275 23 P C -0.837 176.146 177.300 -0.527 0.000 1.228 23 P CA -0.129 62.740 63.100 -0.384 0.000 0.786 23 P CB 1.377 32.905 31.700 -0.286 0.000 0.927 37 D N -0.083 120.356 120.400 0.064 0.000 2.842 37 D HA 0.113 4.753 4.640 -0.000 0.000 0.248 37 D C -1.071 175.239 176.300 0.016 0.000 1.140 37 D CA -0.829 53.181 54.000 0.016 0.000 0.728 37 D CB 1.515 42.316 40.800 0.001 0.000 1.595 37 D HN -0.155 nan 8.370 nan 0.000 0.450 38 R N 1.481 122.023 120.500 0.071 0.000 2.210 38 R HA 0.455 4.795 4.340 -0.000 0.000 0.338 38 R C -2.124 174.196 176.300 0.033 0.000 1.062 38 R CA -1.598 54.522 56.100 0.033 0.000 0.902 38 R CB 0.609 30.958 30.300 0.082 0.000 1.050 38 R HN 0.403 nan 8.270 nan 0.000 0.461 39 P HA 0.482 nan 4.420 nan 0.000 0.282 39 P C -1.201 176.101 177.300 0.004 0.000 1.259 39 P CA -0.627 62.462 63.100 -0.018 0.000 0.826 39 P CB 1.735 33.380 31.700 -0.091 0.000 1.064 40 A N 1.058 123.930 122.820 0.087 0.000 2.566 40 A HA 0.564 4.884 4.320 -0.000 0.000 0.297 40 A C -1.544 176.159 177.584 0.197 0.000 1.059 40 A CA -0.534 51.589 52.037 0.142 0.000 0.691 40 A CB 1.325 20.439 19.000 0.189 0.000 1.282 40 A HN 0.226 nan 8.150 nan 0.000 0.401 41 V N 3.413 123.438 119.914 0.185 0.000 2.380 41 V HA 0.399 4.519 4.120 -0.000 0.000 0.286 41 V C -0.498 175.743 176.094 0.245 0.000 1.015 41 V CA -0.196 62.218 62.300 0.190 0.000 0.834 41 V CB 1.048 32.943 31.823 0.121 0.000 1.009 41 V HN 0.741 nan 8.190 nan 0.000 0.428 42 L N 5.803 127.237 121.223 0.351 0.000 2.309 42 L HA 0.763 5.103 4.340 -0.000 0.000 0.282 42 L C -0.200 176.928 176.870 0.430 0.000 1.036 42 L CA -0.875 54.213 54.840 0.412 0.000 0.806 42 L CB 1.927 44.289 42.059 0.505 0.000 1.220 42 L HN 0.553 nan 8.230 nan 0.000 0.429 43 V N 0.350 120.456 119.914 0.321 0.000 2.628 43 V HA 0.714 4.833 4.120 -0.000 0.000 0.306 43 V C -0.634 175.432 176.094 -0.048 0.000 1.045 43 V CA -0.635 61.753 62.300 0.145 0.000 0.905 43 V CB 1.789 33.640 31.823 0.045 0.000 0.997 43 V HN 0.919 nan 8.190 nan 0.000 0.436 44 E N 2.720 122.729 120.200 -0.320 0.000 2.248 44 E HA 0.776 5.126 4.350 -0.000 0.000 0.267 44 E C -1.702 174.625 176.600 -0.455 0.000 0.877 44 E CA -1.001 54.900 56.400 -0.832 0.000 0.759 44 E CB 2.482 31.225 29.700 -1.596 0.000 1.182 44 E HN 0.511 nan 8.360 nan 0.000 0.418 45 V N 2.465 122.132 119.914 -0.413 0.000 2.448 45 V HA 0.339 4.458 4.120 -0.000 0.000 0.295 45 V C -0.403 175.560 176.094 -0.218 0.000 1.025 45 V CA -0.701 61.455 62.300 -0.239 0.000 0.859 45 V CB 1.452 33.173 31.823 -0.170 0.000 0.988 45 V HN 0.812 nan 8.190 nan 0.000 0.431 46 E N 3.431 123.542 120.200 -0.148 0.000 2.158 46 E HA 0.266 4.616 4.350 -0.000 0.000 0.271 46 E C -0.885 175.679 176.600 -0.060 0.000 0.911 46 E CA -0.545 55.792 56.400 -0.104 0.000 0.767 46 E CB 1.485 31.136 29.700 -0.081 0.000 1.120 46 E HN 0.816 nan 8.360 nan 0.000 0.405 47 D N 1.579 121.951 120.400 -0.047 0.000 2.384 47 D HA -0.020 4.620 4.640 -0.000 0.000 0.244 47 D C 1.000 177.291 176.300 -0.014 0.000 1.251 47 D CA 0.295 54.282 54.000 -0.022 0.000 0.961 47 D CB 1.192 41.980 40.800 -0.020 0.000 1.116 47 D HN 0.528 nan 8.370 nan 0.000 0.484 48 S N 0.244 115.941 115.700 -0.004 0.000 2.428 48 S HA -0.183 4.287 4.470 -0.000 0.000 0.230 48 S C 1.111 175.707 174.600 -0.006 0.000 1.014 48 S CA 1.064 59.262 58.200 -0.004 0.000 0.957 48 S CB -0.132 63.067 63.200 -0.001 0.000 0.784 48 S HN 0.591 nan 8.310 nan 0.000 0.499 49 D N 0.413 120.810 120.400 -0.006 0.000 2.349 49 D HA 0.279 4.919 4.640 -0.000 0.000 0.224 49 D C 1.456 177.752 176.300 -0.007 0.000 1.029 49 D CA 0.746 54.742 54.000 -0.006 0.000 0.879 49 D CB -0.505 40.291 40.800 -0.006 0.000 0.906 49 D HN 0.592 nan 8.370 nan 0.000 0.528 50 G N -0.629 108.165 108.800 -0.010 0.000 2.238 50 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 50 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 50 G C 0.557 175.449 174.900 -0.013 0.000 0.996 50 G CA 0.057 45.151 45.100 -0.009 0.000 0.632 50 G HN 0.785 nan 8.290 nan 0.000 0.503 51 A N -0.175 122.633 122.820 -0.020 0.000 2.466 51 A HA 0.665 4.985 4.320 -0.000 0.000 0.238 51 A C 0.354 177.912 177.584 -0.045 0.000 1.074 51 A CA 0.935 52.955 52.037 -0.027 0.000 0.774 51 A CB 0.839 19.818 19.000 -0.035 0.000 1.015 51 A HN 1.292 nan 8.150 nan 0.000 0.498 52 V N 0.442 120.330 119.914 -0.043 0.000 2.876 52 V HA 0.777 4.897 4.120 -0.000 0.000 0.312 52 V C 0.500 176.541 176.094 -0.087 0.000 1.085 52 V CA 0.015 62.261 62.300 -0.089 0.000 0.945 52 V CB 2.204 33.993 31.823 -0.056 0.000 1.017 52 V HN 1.376 nan 8.190 nan 0.000 0.428 53 G N 1.188 109.875 108.800 -0.188 0.000 2.571 53 G HA2 0.676 4.635 3.960 -0.000 0.000 0.304 53 G HA3 0.676 4.635 3.960 -0.000 0.000 0.304 53 G C -2.207 172.555 174.900 -0.232 0.000 1.314 53 G CA -0.506 44.522 45.100 -0.119 0.000 0.975 53 G HN 0.519 nan 8.290 nan 0.000 0.485 54 W N -0.047 121.230 121.300 -0.038 0.000 2.719 54 W HA 0.758 5.418 4.660 -0.000 0.000 0.352 54 W C 0.413 176.926 176.519 -0.011 0.000 1.085 54 W CA -0.163 57.176 57.345 -0.011 0.000 1.187 54 W CB 2.893 32.348 29.460 -0.008 0.000 1.417 54 W HN 0.873 nan 8.180 nan 0.000 0.557 55 G N 0.339 109.295 108.800 0.260 0.000 2.687 55 G HA2 0.578 4.538 3.960 -0.000 0.000 0.291 55 G HA3 0.578 4.538 3.960 -0.000 0.000 0.291 55 G C -2.066 172.930 174.900 0.159 0.000 1.420 55 G CA -0.723 44.459 45.100 0.136 0.000 0.796 55 G HN 0.364 nan 8.290 nan 0.000 0.485 56 E N -0.750 119.497 120.200 0.078 0.000 2.292 56 E HA 0.550 4.900 4.350 -0.000 0.000 0.272 56 E C -1.456 175.201 176.600 0.095 0.000 0.881 56 E CA -0.635 55.832 56.400 0.111 0.000 0.754 56 E CB 2.776 32.538 29.700 0.102 0.000 1.201 56 E HN 0.255 nan 8.360 nan 0.000 0.425 57 V N 4.448 124.455 119.914 0.155 0.000 2.370 57 V HA 0.198 4.318 4.120 -0.000 0.000 0.283 57 V C -0.331 175.941 176.094 0.297 0.000 1.023 57 V CA -0.628 61.785 62.300 0.189 0.000 0.857 57 V CB 0.764 32.676 31.823 0.149 0.000 0.985 57 V HN 0.743 nan 8.190 nan 0.000 0.443 58 W N 6.814 128.227 121.300 0.189 0.000 2.295 58 W HA 0.289 4.949 4.660 -0.000 0.000 0.335 58 W C 0.688 177.329 176.519 0.204 0.000 1.351 58 W CA 0.199 57.716 57.345 0.286 0.000 1.273 58 W CB 0.651 30.301 29.460 0.316 0.000 1.214 58 W HN 0.787 nan 8.180 nan 0.000 0.563 59 C N 4.510 123.465 119.300 -0.575 0.000 3.573 59 C HA 0.263 4.723 4.460 -0.000 0.000 0.319 59 C C 0.917 175.387 174.990 -0.867 0.000 2.699 59 C CA -0.839 57.820 59.018 -0.598 0.000 1.507 59 C CB -1.064 26.578 27.740 -0.163 0.000 2.945 59 C HN 0.792 nan 8.230 nan 0.000 0.438 60 N N 1.157 118.977 118.700 -1.467 0.000 2.309 60 N HA 0.102 4.842 4.740 -0.000 0.000 0.182 60 N C -0.370 174.466 175.510 -1.122 0.000 1.018 60 N CA 1.359 53.781 53.050 -1.047 0.000 0.876 60 N CB 0.078 38.109 38.487 -0.761 0.000 0.972 60 N HN 0.688 nan 8.380 nan 0.000 0.434 61 F N -0.645 119.028 119.950 -0.462 0.000 2.601 61 F HA 0.432 4.959 4.527 -0.000 0.000 0.309 61 F C -2.134 173.692 175.800 0.043 0.000 1.089 61 F CA -2.134 55.827 58.000 -0.064 0.000 0.940 61 F CB 1.334 40.418 39.000 0.140 0.000 1.273 61 F HN -0.268 nan 8.300 nan 0.000 0.450 62 P HA 0.220 nan 4.420 nan 0.000 0.275 62 P C 0.008 177.323 177.300 0.024 0.000 1.270 62 P CA -0.280 62.938 63.100 0.197 0.000 0.791 62 P CB 0.555 32.333 31.700 0.131 0.000 1.089 63 A N -0.151 122.666 122.820 -0.005 0.000 2.252 63 A HA 0.001 4.321 4.320 -0.000 0.000 0.207 63 A C 1.369 178.906 177.584 -0.078 0.000 1.194 63 A CA 1.058 53.034 52.037 -0.103 0.000 0.809 63 A CB -1.526 17.411 19.000 -0.104 0.000 0.814 63 A HN 0.703 nan 8.150 nan 0.000 0.482 64 C N -5.245 114.034 119.300 -0.035 0.000 3.911 64 C HA 0.486 4.946 4.460 -0.000 0.000 0.318 64 C C 1.833 176.829 174.990 0.010 0.000 1.643 64 C CA 0.231 59.236 59.018 -0.021 0.000 1.845 64 C CB -0.449 27.280 27.740 -0.018 0.000 2.981 64 C HN 0.435 nan 8.230 nan 0.000 0.656 65 G N 0.973 109.791 108.800 0.030 0.000 3.026 65 G HA2 0.361 4.320 3.960 -0.000 0.000 0.208 65 G HA3 0.361 4.320 3.960 -0.000 0.000 0.208 65 G C 1.538 176.491 174.900 0.088 0.000 1.169 65 G CA 0.911 46.065 45.100 0.091 0.000 0.788 65 G HN 0.781 nan 8.290 nan 0.000 0.533 66 A N 1.160 123.994 122.820 0.024 0.000 1.902 66 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 66 A C 2.178 179.781 177.584 0.032 0.000 1.181 66 A CA 1.937 53.982 52.037 0.014 0.000 0.623 66 A CB -0.208 18.783 19.000 -0.014 0.000 0.818 66 A HN 0.321 nan 8.150 nan 0.000 0.443 67 E N -0.999 119.222 120.200 0.036 0.000 2.077 67 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 67 E C 1.891 178.531 176.600 0.067 0.000 0.989 67 E CA 1.504 57.924 56.400 0.032 0.000 0.800 67 E CB -0.490 29.226 29.700 0.028 0.000 0.746 67 E HN 0.830 nan 8.360 nan 0.000 0.452 68 H N 0.582 119.658 119.070 0.010 0.000 2.353 68 H HA 0.046 4.602 4.556 -0.000 0.000 0.300 68 H C 1.819 177.166 175.328 0.031 0.000 1.090 68 H CA 1.790 57.851 56.048 0.021 0.000 1.327 68 H CB 0.151 29.933 29.762 0.034 0.000 1.383 68 H HN -0.033 nan 8.280 nan 0.000 0.508 69 R N -0.319 120.152 120.500 -0.049 0.000 2.081 69 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 69 R C 2.589 178.844 176.300 -0.075 0.000 1.131 69 R CA 1.135 57.189 56.100 -0.077 0.000 0.960 69 R CB -0.307 30.025 30.300 0.052 0.000 0.856 69 R HN 0.389 nan 8.270 nan 0.000 0.436 70 A N 1.028 123.825 122.820 -0.039 0.000 1.933 70 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 70 A C 1.947 179.488 177.584 -0.073 0.000 1.175 70 A CA 1.131 53.141 52.037 -0.045 0.000 0.628 70 A CB -0.230 18.745 19.000 -0.041 0.000 0.814 70 A HN 0.081 nan 8.150 nan 0.000 0.444 71 R N -0.388 120.064 120.500 -0.080 0.000 2.075 71 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 71 R C 2.076 178.313 176.300 -0.104 0.000 1.126 71 R CA 0.960 57.015 56.100 -0.074 0.000 0.963 71 R CB -1.129 29.153 30.300 -0.031 0.000 0.858 71 R HN 0.580 nan 8.270 nan 0.000 0.435 72 L N 0.282 121.394 121.223 -0.186 0.000 2.042 72 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 72 L C 2.455 179.268 176.870 -0.095 0.000 1.076 72 L CA 1.064 55.802 54.840 -0.170 0.000 0.749 72 L CB -0.454 41.460 42.059 -0.243 0.000 0.893 72 L HN -0.044 nan 8.230 nan 0.000 0.432 73 V N -0.166 119.698 119.914 -0.082 0.000 2.343 73 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 73 V C 2.314 178.373 176.094 -0.057 0.000 1.051 73 V CA 1.952 64.217 62.300 -0.058 0.000 1.036 73 V CB -0.355 31.439 31.823 -0.047 0.000 0.654 73 V HN 0.496 nan 8.190 nan 0.000 0.451 74 E N -0.219 119.943 120.200 -0.064 0.000 2.122 74 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 74 E C 2.235 178.810 176.600 -0.041 0.000 0.977 74 E CA 1.550 57.916 56.400 -0.057 0.000 0.820 74 E CB -0.159 29.499 29.700 -0.069 0.000 0.770 74 E HN 0.779 nan 8.360 nan 0.000 0.462 75 T N -2.092 112.438 114.554 -0.039 0.000 3.051 75 T HA 0.091 4.441 4.350 -0.000 0.000 0.255 75 T C 1.845 176.533 174.700 -0.020 0.000 1.085 75 T CA 0.179 62.264 62.100 -0.025 0.000 1.109 75 T CB 0.240 69.097 68.868 -0.018 0.000 0.921 75 T HN -0.079 nan 8.240 nan 0.000 0.488 76 V N 0.576 120.472 119.914 -0.029 0.000 2.721 76 V HA 0.315 4.434 4.120 -0.000 0.000 0.236 76 V C 2.493 178.572 176.094 -0.025 0.000 1.116 76 V CA 0.382 62.666 62.300 -0.025 0.000 1.148 76 V CB -0.387 31.416 31.823 -0.033 0.000 0.886 76 V HN 0.296 nan 8.190 nan 0.000 0.490 77 L N 0.604 121.808 121.223 -0.033 0.000 2.044 77 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 77 L C 2.796 179.659 176.870 -0.012 0.000 1.075 77 L CA 1.504 56.326 54.840 -0.031 0.000 0.747 77 L CB -0.889 41.145 42.059 -0.043 0.000 0.903 77 L HN 0.343 nan 8.230 nan 0.000 0.435 78 A N 1.055 123.864 122.820 -0.018 0.000 1.884 78 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 78 A C 0.098 177.693 177.584 0.019 0.000 1.197 78 A CA 2.241 54.273 52.037 -0.008 0.000 0.637 78 A CB -2.047 16.938 19.000 -0.024 0.000 0.827 78 A HN 0.326 nan 8.150 nan 0.000 0.450 79 P HA -0.130 nan 4.420 nan 0.000 0.219 79 P C 1.421 178.761 177.300 0.066 0.000 1.146 79 P CA 0.990 64.109 63.100 0.031 0.000 0.808 79 P CB -0.168 31.543 31.700 0.017 0.000 0.779 80 L N -1.766 119.505 121.223 0.080 0.000 2.240 80 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 80 L C 2.456 179.497 176.870 0.285 0.000 1.106 80 L CA 0.518 55.454 54.840 0.159 0.000 0.793 80 L CB -0.661 41.453 42.059 0.092 0.000 0.927 80 L HN -0.065 nan 8.230 nan 0.000 0.446 81 L N -0.459 120.885 121.223 0.202 0.000 2.179 81 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 81 L C 2.386 179.418 176.870 0.270 0.000 1.096 81 L CA 1.770 56.763 54.840 0.254 0.000 0.779 81 L CB -0.611 41.482 42.059 0.057 0.000 0.922 81 L HN 0.321 nan 8.230 nan 0.000 0.443 82 T N -4.579 110.061 114.554 0.144 0.000 3.163 82 T HA 0.287 4.637 4.350 -0.000 0.000 0.252 82 T C 1.245 175.984 174.700 0.065 0.000 1.056 82 T CA 0.410 62.566 62.100 0.092 0.000 0.947 82 T CB 0.076 68.971 68.868 0.046 0.000 1.016 82 T HN 0.138 nan 8.240 nan 0.000 0.554 83 A N 1.629 124.497 122.820 0.080 0.000 2.308 83 A HA 0.543 4.863 4.320 -0.000 0.000 0.217 83 A C 0.974 178.533 177.584 -0.041 0.000 1.216 83 A CA -0.471 51.583 52.037 0.029 0.000 0.864 83 A CB -0.023 19.010 19.000 0.055 0.000 0.902 83 A HN 0.748 nan 8.150 nan 0.000 0.499 84 R N -3.222 117.225 120.500 -0.088 0.000 2.921 84 R HA 0.732 5.072 4.340 -0.000 0.000 0.268 84 R C -0.520 175.597 176.300 -0.305 0.000 1.008 84 R CA -0.379 55.573 56.100 -0.247 0.000 0.876 84 R CB 0.342 30.382 30.300 -0.433 0.000 1.395 84 R HN 0.250 nan 8.270 nan 0.000 0.443 85 A N 0.201 122.769 122.820 -0.420 0.000 2.284 85 A HA 0.897 5.217 4.320 -0.000 0.000 0.317 85 A C -1.341 175.834 177.584 -0.682 0.000 1.120 85 A CA -0.701 51.158 52.037 -0.296 0.000 0.900 85 A CB 0.776 19.690 19.000 -0.143 0.000 1.319 85 A HN 0.405 nan 8.150 nan 0.000 0.494 86 F N -1.899 118.031 119.950 -0.034 0.000 2.596 86 F HA 0.524 5.051 4.527 -0.000 0.000 0.311 86 F C 1.088 176.886 175.800 -0.004 0.000 1.116 86 F CA 0.023 58.007 58.000 -0.026 0.000 0.957 86 F CB 1.967 40.964 39.000 -0.006 0.000 1.250 86 F HN 0.685 nan 8.300 nan 0.000 0.444 87 A N 1.349 124.256 122.820 0.145 0.000 1.917 87 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 87 A C 0.161 177.821 177.584 0.125 0.000 1.182 87 A CA 2.498 54.593 52.037 0.098 0.000 0.633 87 A CB -0.779 18.264 19.000 0.070 0.000 0.819 87 A HN 0.853 nan 8.150 nan 0.000 0.448 88 D N -6.228 114.271 120.400 0.166 0.000 2.725 88 D HA 0.360 5.000 4.640 -0.000 0.000 0.292 88 D C -2.671 173.722 176.300 0.154 0.000 1.288 88 D CA -1.138 52.959 54.000 0.162 0.000 0.784 88 D CB -0.002 40.886 40.800 0.146 0.000 1.308 88 D HN -0.171 nan 8.370 nan 0.000 0.429 89 P HA -0.177 nan 4.420 nan 0.000 0.215 89 P C 1.397 178.758 177.300 0.102 0.000 1.163 89 P CA 2.960 66.115 63.100 0.090 0.000 0.894 89 P CB -0.126 31.656 31.700 0.136 0.000 0.791 90 A N -0.256 122.644 122.820 0.132 0.000 1.917 90 A HA -0.334 3.986 4.320 -0.000 0.000 0.219 90 A C 2.403 180.102 177.584 0.191 0.000 1.182 90 A CA 2.236 54.359 52.037 0.143 0.000 0.633 90 A CB -1.593 17.466 19.000 0.098 0.000 0.819 90 A HN 0.276 nan 8.150 nan 0.000 0.448 91 Q N -0.774 119.129 119.800 0.172 0.000 2.124 91 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 91 Q C 2.102 178.250 176.000 0.247 0.000 0.977 91 Q CA 1.456 57.388 55.803 0.215 0.000 0.850 91 Q CB -0.322 28.558 28.738 0.236 0.000 0.901 91 Q HN 0.620 nan 8.270 nan 0.000 0.429 92 A N 0.156 123.011 122.820 0.058 0.000 1.968 92 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 92 A C 1.765 179.295 177.584 -0.090 0.000 1.169 92 A CA 0.907 52.707 52.037 -0.396 0.000 0.638 92 A CB -0.790 17.671 19.000 -0.898 0.000 0.812 92 A HN 0.607 nan 8.150 nan 0.000 0.446 93 F N 1.266 121.148 119.950 -0.113 0.000 2.102 93 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 93 F C 2.487 178.269 175.800 -0.030 0.000 1.105 93 F CA 1.199 59.144 58.000 -0.093 0.000 1.239 93 F CB -0.632 38.309 39.000 -0.097 0.000 0.991 93 F HN 0.239 nan 8.300 nan 0.000 0.474 94 A N -0.423 122.383 122.820 -0.023 0.000 1.902 94 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 94 A C 2.416 179.975 177.584 -0.041 0.000 1.181 94 A CA 1.849 53.836 52.037 -0.084 0.000 0.623 94 A CB -1.587 17.465 19.000 0.087 0.000 0.818 94 A HN 0.703 nan 8.150 nan 0.000 0.443 95 H N -0.158 118.906 119.070 -0.009 0.000 2.353 95 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 95 H C 1.923 177.235 175.328 -0.026 0.000 1.090 95 H CA 1.769 57.849 56.048 0.053 0.000 1.327 95 H CB -0.085 29.837 29.762 0.267 0.000 1.383 95 H HN 0.427 nan 8.280 nan 0.000 0.508 96 L N 0.497 121.626 121.223 -0.157 0.000 2.093 96 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 96 L C 2.631 179.346 176.870 -0.259 0.000 1.085 96 L CA 1.073 55.773 54.840 -0.232 0.000 0.755 96 L CB -0.354 41.598 42.059 -0.178 0.000 0.904 96 L HN 0.361 nan 8.230 nan 0.000 0.435 97 E N 0.336 120.330 120.200 -0.343 0.000 2.047 97 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 97 E C 2.329 178.823 176.600 -0.178 0.000 0.987 97 E CA 1.220 57.438 56.400 -0.303 0.000 0.799 97 E CB -0.110 29.328 29.700 -0.438 0.000 0.752 97 E HN 0.475 nan 8.360 nan 0.000 0.449 98 A N 1.848 124.573 122.820 -0.158 0.000 1.883 98 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 98 A C 2.031 179.547 177.584 -0.113 0.000 1.186 98 A CA 1.194 53.172 52.037 -0.098 0.000 0.624 98 A CB -0.335 18.637 19.000 -0.048 0.000 0.822 98 A HN 0.028 nan 8.150 nan 0.000 0.444 99 R N -0.125 120.259 120.500 -0.192 0.000 2.339 99 R HA -0.026 4.313 4.340 -0.000 0.000 0.199 99 R C 1.286 177.513 176.300 -0.122 0.000 1.018 99 R CA 1.447 57.436 56.100 -0.184 0.000 1.036 99 R CB -0.836 29.267 30.300 -0.330 0.000 0.899 99 R HN 0.773 nan 8.270 nan 0.000 0.473 100 T N -5.175 109.315 114.554 -0.107 0.000 3.058 100 T HA 0.345 4.695 4.350 -0.000 0.000 0.278 100 T C 1.707 176.381 174.700 -0.042 0.000 0.974 100 T CA 0.337 62.397 62.100 -0.067 0.000 0.893 100 T CB 0.474 69.302 68.868 -0.067 0.000 1.138 100 T HN 0.019 nan 8.240 nan 0.000 0.529 101 A N 2.040 124.832 122.820 -0.046 0.000 1.859 101 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 101 A C 2.378 179.955 177.584 -0.012 0.000 1.209 101 A CA 2.209 54.231 52.037 -0.025 0.000 0.639 101 A CB -1.347 17.638 19.000 -0.025 0.000 0.835 101 A HN 0.387 nan 8.150 nan 0.000 0.450 102 V N -0.271 119.635 119.914 -0.014 0.000 2.332 102 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 102 V C 2.523 178.616 176.094 -0.001 0.000 1.055 102 V CA 2.047 64.343 62.300 -0.006 0.000 1.038 102 V CB -0.906 30.912 31.823 -0.007 0.000 0.651 102 V HN 0.599 nan 8.190 nan 0.000 0.450 103 L N 1.047 122.267 121.223 -0.004 0.000 2.042 103 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 103 L C 2.450 179.330 176.870 0.015 0.000 1.076 103 L CA 2.375 57.218 54.840 0.005 0.000 0.749 103 L CB -1.005 41.054 42.059 -0.000 0.000 0.893 103 L HN 0.230 nan 8.230 nan 0.000 0.432 104 A N -0.483 122.345 122.820 0.014 0.000 1.978 104 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 104 A C 2.281 179.879 177.584 0.023 0.000 1.170 104 A CA 2.137 54.189 52.037 0.025 0.000 0.636 104 A CB -0.813 18.201 19.000 0.024 0.000 0.810 104 A HN 0.545 nan 8.150 nan 0.000 0.448 105 I N -1.154 119.424 120.570 0.014 0.000 2.233 105 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 105 I C 2.767 178.892 176.117 0.014 0.000 1.093 105 I CA 0.956 62.264 61.300 0.012 0.000 1.380 105 I CB -0.331 37.673 38.000 0.007 0.000 1.067 105 I HN 0.326 nan 8.210 nan 0.000 0.413 106 Q N 0.346 120.154 119.800 0.013 0.000 2.084 106 Q HA -0.203 4.136 4.340 -0.000 0.000 0.202 106 Q C 2.338 178.350 176.000 0.019 0.000 0.978 106 Q CA 2.435 58.246 55.803 0.014 0.000 0.844 106 Q CB -0.375 28.371 28.738 0.013 0.000 0.898 106 Q HN 0.618 nan 8.270 nan 0.000 0.426 107 T N -4.227 110.343 114.554 0.027 0.000 3.051 107 T HA 0.212 4.562 4.350 -0.000 0.000 0.255 107 T C 1.286 176.008 174.700 0.037 0.000 1.085 107 T CA 0.817 62.939 62.100 0.036 0.000 1.109 107 T CB 0.227 69.128 68.868 0.055 0.000 0.921 107 T HN 0.402 nan 8.240 nan 0.000 0.488 108 G N 1.663 110.483 108.800 0.034 0.000 2.176 108 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.252 108 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.252 108 G C -0.063 174.867 174.900 0.049 0.000 1.024 108 G CA 0.183 45.303 45.100 0.033 0.000 0.755 108 G HN 0.638 nan 8.290 nan 0.000 0.507 109 E N 0.030 120.269 120.200 0.064 0.000 3.269 109 E HA 0.145 4.495 4.350 -0.000 0.000 0.221 109 E C -1.095 175.558 176.600 0.088 0.000 1.113 109 E CA -1.363 55.093 56.400 0.093 0.000 1.385 109 E CB 0.995 30.777 29.700 0.136 0.000 1.345 109 E HN 0.374 nan 8.360 nan 0.000 0.435 110 P HA -0.197 nan 4.420 nan 0.000 0.215 110 P C 1.445 178.804 177.300 0.098 0.000 1.153 110 P CA 1.253 64.395 63.100 0.070 0.000 0.853 110 P CB 0.307 32.033 31.700 0.044 0.000 0.788 111 G N 1.183 110.043 108.800 0.100 0.000 2.484 111 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 111 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 111 G C -0.676 174.324 174.900 0.167 0.000 1.219 111 G CA 1.132 46.306 45.100 0.123 0.000 0.791 111 G HN 0.253 nan 8.290 nan 0.000 0.550 112 P HA -0.071 nan 4.420 nan 0.000 0.216 112 P C 2.006 179.376 177.300 0.116 0.000 1.150 112 P CA 0.812 64.024 63.100 0.188 0.000 0.843 112 P CB -0.073 31.765 31.700 0.230 0.000 0.787 113 L N -1.389 119.892 121.223 0.097 0.000 2.044 113 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 113 L C 2.502 179.418 176.870 0.077 0.000 1.075 113 L CA 1.445 56.320 54.840 0.059 0.000 0.747 113 L CB -1.163 40.922 42.059 0.044 0.000 0.903 113 L HN -0.063 nan 8.230 nan 0.000 0.435 114 A N -0.320 122.575 122.820 0.126 0.000 1.908 114 A HA -0.286 4.033 4.320 -0.000 0.000 0.218 114 A C 2.190 179.862 177.584 0.147 0.000 1.181 114 A CA 1.818 53.962 52.037 0.177 0.000 0.627 114 A CB -0.536 18.646 19.000 0.304 0.000 0.818 114 A HN 0.448 nan 8.150 nan 0.000 0.445 115 Q N -0.724 119.176 119.800 0.166 0.000 2.084 115 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 115 Q C 2.352 178.433 176.000 0.135 0.000 0.978 115 Q CA 1.623 57.540 55.803 0.191 0.000 0.844 115 Q CB -0.385 28.537 28.738 0.307 0.000 0.898 115 Q HN 0.691 nan 8.270 nan 0.000 0.426 116 A N 0.271 123.148 122.820 0.096 0.000 1.968 116 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 116 A C 1.987 179.586 177.584 0.026 0.000 1.169 116 A CA 0.906 52.972 52.037 0.048 0.000 0.638 116 A CB -0.435 18.570 19.000 0.009 0.000 0.812 116 A HN 0.311 nan 8.150 nan 0.000 0.446 117 I N -0.387 120.201 120.570 0.030 0.000 2.286 117 I HA -0.222 3.947 4.170 -0.000 0.000 0.245 117 I C 2.979 179.121 176.117 0.042 0.000 1.104 117 I CA 0.900 62.217 61.300 0.029 0.000 1.397 117 I CB -0.328 37.682 38.000 0.016 0.000 1.072 117 I HN 0.348 nan 8.210 nan 0.000 0.417 118 A N 1.070 123.899 122.820 0.014 0.000 1.883 118 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 118 A C 2.442 179.975 177.584 -0.085 0.000 1.186 118 A CA 2.061 54.046 52.037 -0.087 0.000 0.624 118 A CB -1.540 17.405 19.000 -0.091 0.000 0.822 118 A HN 0.458 nan 8.150 nan 0.000 0.444 119 G N -0.232 108.556 108.800 -0.021 0.000 2.446 119 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 119 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 119 G C 1.537 176.421 174.900 -0.026 0.000 1.168 119 G CA 1.123 46.217 45.100 -0.011 0.000 0.771 119 G HN 0.447 nan 8.290 nan 0.000 0.551 120 L N 0.122 121.330 121.223 -0.025 0.000 2.201 120 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 120 L C 2.430 179.267 176.870 -0.054 0.000 1.105 120 L CA 1.276 56.090 54.840 -0.044 0.000 0.775 120 L CB -0.253 41.776 42.059 -0.050 0.000 0.913 120 L HN 0.256 nan 8.230 nan 0.000 0.440 121 D N 0.311 120.680 120.400 -0.051 0.000 2.183 121 D HA -0.144 4.495 4.640 -0.000 0.000 0.203 121 D C 2.214 178.495 176.300 -0.031 0.000 0.969 121 D CA 0.834 54.799 54.000 -0.058 0.000 0.842 121 D CB 0.154 40.874 40.800 -0.134 0.000 0.957 121 D HN 0.223 nan 8.370 nan 0.000 0.484 122 I N 0.421 120.948 120.570 -0.073 0.000 2.252 122 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 122 I C 2.451 178.592 176.117 0.040 0.000 1.102 122 I CA 0.988 62.278 61.300 -0.016 0.000 1.385 122 I CB -0.289 37.626 38.000 -0.141 0.000 1.064 122 I HN 0.066 nan 8.210 nan 0.000 0.414 123 A N 0.940 123.752 122.820 -0.013 0.000 1.902 123 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 123 A C 2.283 179.811 177.584 -0.093 0.000 1.181 123 A CA 1.421 53.434 52.037 -0.041 0.000 0.623 123 A CB -0.823 18.132 19.000 -0.074 0.000 0.818 123 A HN 0.380 nan 8.150 nan 0.000 0.443 124 L N -0.989 120.176 121.223 -0.096 0.000 2.093 124 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 124 L C 2.646 179.400 176.870 -0.194 0.000 1.085 124 L CA 1.039 55.806 54.840 -0.122 0.000 0.755 124 L CB -0.629 41.370 42.059 -0.101 0.000 0.904 124 L HN 0.476 nan 8.230 nan 0.000 0.435 125 C N -0.390 118.788 119.300 -0.204 0.000 2.440 125 C HA -0.151 4.309 4.460 -0.000 0.000 0.278 125 C C 2.498 177.080 174.990 -0.679 0.000 1.295 125 C CA 0.807 59.502 59.018 -0.538 0.000 1.738 125 C CB -0.631 26.925 27.740 -0.308 0.000 1.987 125 C HN 0.567 nan 8.230 nan 0.000 0.492 126 D N 0.671 120.873 120.400 -0.331 0.000 2.097 126 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 126 D C 1.972 178.097 176.300 -0.292 0.000 0.989 126 D CA 0.941 54.773 54.000 -0.279 0.000 0.827 126 D CB -0.266 40.489 40.800 -0.075 0.000 0.966 126 D HN 0.250 nan 8.370 nan 0.000 0.456 127 L N 0.618 121.701 121.223 -0.233 0.000 2.046 127 L HA 0.034 4.373 4.340 -0.000 0.000 0.208 127 L C 2.097 178.828 176.870 -0.232 0.000 1.077 127 L CA 2.258 56.986 54.840 -0.187 0.000 0.747 127 L CB -1.398 40.576 42.059 -0.142 0.000 0.896 127 L HN 0.073 nan 8.230 nan 0.000 0.432 128 A N -0.249 122.373 122.820 -0.330 0.000 1.877 128 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 128 A C 2.465 179.785 177.584 -0.441 0.000 1.186 128 A CA 2.047 53.895 52.037 -0.316 0.000 0.620 128 A CB -1.186 17.632 19.000 -0.303 0.000 0.822 128 A HN 0.606 nan 8.150 nan 0.000 0.443 129 A N -0.545 121.777 122.820 -0.830 0.000 1.898 129 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 129 A C 2.239 179.627 177.584 -0.326 0.000 1.181 129 A CA 1.500 53.108 52.037 -0.715 0.000 0.620 129 A CB -0.432 18.058 19.000 -0.850 0.000 0.819 129 A HN 0.521 nan 8.150 nan 0.000 0.442 130 R N -1.129 119.206 120.500 -0.275 0.000 2.096 130 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 130 R C 2.451 178.686 176.300 -0.109 0.000 1.127 130 R CA 1.642 57.649 56.100 -0.154 0.000 0.968 130 R CB -0.210 30.024 30.300 -0.110 0.000 0.861 130 R HN 0.494 nan 8.270 nan 0.000 0.440 131 R N 0.449 120.880 120.500 -0.114 0.000 2.096 131 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 131 R C 1.764 178.039 176.300 -0.042 0.000 1.127 131 R CA 1.720 57.781 56.100 -0.065 0.000 0.968 131 R CB -0.226 30.040 30.300 -0.057 0.000 0.861 131 R HN 0.217 nan 8.270 nan 0.000 0.440 132 A N -0.923 121.872 122.820 -0.042 0.000 2.169 132 A HA 0.263 4.583 4.320 -0.000 0.000 0.212 132 A C 1.363 178.936 177.584 -0.019 0.000 1.153 132 A CA 0.637 52.677 52.037 0.004 0.000 0.756 132 A CB -0.397 18.659 19.000 0.094 0.000 0.813 132 A HN 0.554 nan 8.150 nan 0.000 0.471 133 G N -1.051 107.718 108.800 -0.052 0.000 2.160 133 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 133 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 133 G C -0.171 174.684 174.900 -0.076 0.000 1.022 133 G CA 0.377 45.444 45.100 -0.055 0.000 0.741 133 G HN 0.648 nan 8.290 nan 0.000 0.508 134 Q N 0.128 119.866 119.800 -0.104 0.000 2.375 134 Q HA 0.486 4.826 4.340 -0.000 0.000 0.271 134 Q C -2.539 173.316 176.000 -0.242 0.000 1.074 134 Q CA -2.227 53.479 55.803 -0.162 0.000 0.808 134 Q CB 3.101 31.768 28.738 -0.117 0.000 1.327 134 Q HN 0.226 nan 8.270 nan 0.000 0.441 135 P HA -0.057 nan 4.420 nan 0.000 0.272 135 P C 0.426 177.448 177.300 -0.463 0.000 1.223 135 P CA -0.347 62.545 63.100 -0.346 0.000 0.784 135 P CB 0.942 32.458 31.700 -0.306 0.000 0.923 136 L N 2.459 123.379 121.223 -0.504 0.000 2.043 136 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 136 L C 2.531 179.347 176.870 -0.091 0.000 1.075 136 L CA 1.884 56.466 54.840 -0.431 0.000 0.752 136 L CB -2.026 39.594 42.059 -0.733 0.000 0.891 136 L HN 0.645 nan 8.230 nan 0.000 0.432 137 W N -0.714 120.743 121.300 0.261 0.000 2.331 137 W HA -0.162 4.498 4.660 -0.000 0.000 0.291 137 W C 1.898 178.484 176.519 0.111 0.000 1.214 137 W CA 1.081 58.555 57.345 0.215 0.000 1.228 137 W CB -1.149 28.448 29.460 0.229 0.000 1.135 137 W HN 0.223 nan 8.180 nan 0.000 0.537 138 A N 0.599 123.079 122.820 -0.566 0.000 1.878 138 A HA -0.089 4.231 4.320 -0.000 0.000 0.213 138 A C 1.733 179.216 177.584 -0.170 0.000 1.192 138 A CA 1.187 52.942 52.037 -0.470 0.000 0.619 138 A CB -1.672 16.799 19.000 -0.882 0.000 0.837 138 A HN 0.397 nan 8.150 nan 0.000 0.446 139 W N 0.894 121.985 121.300 -0.349 0.000 2.331 139 W HA -0.178 4.482 4.660 -0.000 0.000 0.291 139 W C 1.373 177.767 176.519 -0.208 0.000 1.214 139 W CA 1.943 59.131 57.345 -0.261 0.000 1.228 139 W CB -0.155 29.128 29.460 -0.295 0.000 1.135 139 W HN 0.238 nan 8.180 nan 0.000 0.537 140 L N 0.171 121.384 121.223 -0.016 0.000 2.552 140 L HA 0.180 4.520 4.340 -0.000 0.000 0.227 140 L C 1.978 178.771 176.870 -0.127 0.000 1.146 140 L CA 0.895 55.663 54.840 -0.120 0.000 0.858 140 L CB -0.868 41.192 42.059 0.002 0.000 0.969 140 L HN 0.337 nan 8.230 nan 0.000 0.451 141 G N -0.647 108.096 108.800 -0.095 0.000 2.184 141 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.206 141 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.206 141 G C 0.554 175.484 174.900 0.051 0.000 0.995 141 G CA -0.311 44.754 45.100 -0.057 0.000 0.651 141 G HN 0.481 nan 8.290 nan 0.000 0.511 142 G N -0.033 108.863 108.800 0.160 0.000 2.606 142 G HA2 0.563 4.523 3.960 -0.000 0.000 0.252 142 G HA3 0.563 4.523 3.960 -0.000 0.000 0.252 142 G C 1.027 176.148 174.900 0.368 0.000 1.206 142 G CA 0.961 46.230 45.100 0.282 0.000 0.861 142 G HN 1.348 nan 8.290 nan 0.000 0.561 143 S N -0.902 114.973 115.700 0.291 0.000 2.666 143 S HA 0.478 4.948 4.470 -0.000 0.000 0.239 143 S C 0.774 175.462 174.600 0.146 0.000 1.031 143 S CA 0.260 58.620 58.200 0.267 0.000 1.015 143 S CB 0.662 63.939 63.200 0.127 0.000 0.981 143 S HN 1.120 nan 8.310 nan 0.000 0.547 144 G N 1.108 109.846 108.800 -0.104 0.000 2.694 144 G HA2 0.539 4.499 3.960 -0.000 0.000 0.290 144 G HA3 0.539 4.499 3.960 -0.000 0.000 0.290 144 G C -1.062 173.203 174.900 -1.058 0.000 1.386 144 G CA -0.297 44.531 45.100 -0.453 0.000 0.872 144 G HN 0.148 nan 8.290 nan 0.000 0.475 145 D N -1.260 118.526 120.400 -1.024 0.000 2.540 145 D HA 0.063 4.702 4.640 -0.000 0.000 0.229 145 D C 0.477 176.466 176.300 -0.518 0.000 1.250 145 D CA -0.412 52.910 54.000 -1.129 0.000 0.817 145 D CB 0.549 40.606 40.800 -1.238 0.000 1.060 145 D HN 0.372 nan 8.370 nan 0.000 0.508 146 R N 1.524 121.815 120.500 -0.348 0.000 2.295 146 R HA 0.579 4.919 4.340 -0.000 0.000 0.324 146 R C -0.525 175.685 176.300 -0.150 0.000 0.968 146 R CA -0.601 55.378 56.100 -0.202 0.000 0.837 146 R CB 0.708 30.921 30.300 -0.145 0.000 1.133 146 R HN 0.203 nan 8.270 nan 0.000 0.450 147 I N 0.237 120.737 120.570 -0.117 0.000 2.969 147 I HA 0.684 4.854 4.170 -0.000 0.000 0.307 147 I C -0.059 176.029 176.117 -0.049 0.000 1.149 147 I CA -1.295 59.963 61.300 -0.070 0.000 1.008 147 I CB 2.292 40.259 38.000 -0.056 0.000 1.232 147 I HN 0.588 nan 8.210 nan 0.000 0.435 148 G N 2.130 110.919 108.800 -0.018 0.000 2.476 148 G HA2 0.641 4.601 3.960 -0.000 0.000 0.286 148 G HA3 0.641 4.601 3.960 -0.000 0.000 0.286 148 G C -0.401 174.520 174.900 0.035 0.000 1.177 148 G CA -0.340 44.757 45.100 -0.004 0.000 0.870 148 G HN 1.100 nan 8.290 nan 0.000 0.528 149 V N -1.318 118.624 119.914 0.046 0.000 3.167 149 V HA 0.927 5.047 4.120 -0.000 0.000 0.310 149 V C -1.169 175.047 176.094 0.203 0.000 1.207 149 V CA -1.420 60.942 62.300 0.104 0.000 1.059 149 V CB 1.436 33.295 31.823 0.060 0.000 1.079 149 V HN 1.231 nan 8.190 nan 0.000 0.446 150 Y N -0.438 119.920 120.300 0.096 0.000 2.544 150 Y HA 0.926 5.476 4.550 -0.000 0.000 0.342 150 Y C -0.266 175.579 175.900 -0.093 0.000 1.062 150 Y CA -0.974 57.111 58.100 -0.025 0.000 1.023 150 Y CB 1.309 39.724 38.460 -0.075 0.000 1.308 150 Y HN 1.146 nan 8.280 nan 0.000 0.457 151 A N 2.614 125.295 122.820 -0.231 0.000 2.396 151 A HA 0.491 4.811 4.320 -0.000 0.000 0.279 151 A C 0.077 177.624 177.584 -0.063 0.000 1.165 151 A CA 0.129 51.906 52.037 -0.433 0.000 0.824 151 A CB -0.224 18.524 19.000 -0.419 0.000 1.100 151 A HN 0.791 nan 8.150 nan 0.000 0.516 152 S N 2.025 117.637 115.700 -0.146 0.000 2.537 152 S HA 0.622 5.092 4.470 -0.000 0.000 0.301 152 S C 0.899 175.496 174.600 -0.005 0.000 1.092 152 S CA 0.536 58.736 58.200 0.001 0.000 1.048 152 S CB 0.946 64.066 63.200 -0.134 0.000 1.053 152 S HN 2.424 nan 8.310 nan 0.000 0.501 153 G N 3.251 112.082 108.800 0.053 0.000 2.137 153 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.237 153 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.237 153 G C 0.088 175.023 174.900 0.058 0.000 1.002 153 G CA 0.066 45.196 45.100 0.049 0.000 0.702 153 G HN 0.814 nan 8.290 nan 0.000 0.515 154 I N 0.884 121.493 120.570 0.064 0.000 2.741 154 I HA -0.019 4.150 4.170 -0.000 0.000 0.288 154 I C 0.940 177.098 176.117 0.069 0.000 1.192 154 I CA 0.036 61.370 61.300 0.056 0.000 1.426 154 I CB 0.086 38.124 38.000 0.065 0.000 1.367 154 I HN 0.196 nan 8.210 nan 0.000 0.563 155 N N 9.158 127.886 118.700 0.047 0.000 2.482 155 N HA 0.107 4.847 4.740 -0.000 0.000 0.260 155 N C -1.348 174.175 175.510 0.021 0.000 1.236 155 N CA -0.898 52.176 53.050 0.039 0.000 0.938 155 N CB 0.502 38.987 38.487 -0.005 0.000 1.128 155 N HN 0.418 nan 8.380 nan 0.000 0.448 156 P HA -0.135 nan 4.420 nan 0.000 0.222 156 P C 0.188 177.463 177.300 -0.041 0.000 1.147 156 P CA 1.242 64.336 63.100 -0.010 0.000 0.790 156 P CB 0.469 32.122 31.700 -0.079 0.000 0.780 157 E N 0.983 121.140 120.200 -0.072 0.000 1.984 157 E HA -0.078 4.272 4.350 -0.000 0.000 0.203 157 E C 0.955 177.541 176.600 -0.024 0.000 0.998 157 E CA 1.189 57.555 56.400 -0.057 0.000 0.865 157 E CB -0.837 28.825 29.700 -0.063 0.000 0.806 157 E HN 0.261 nan 8.360 nan 0.000 0.504 158 N N 1.035 119.725 118.700 -0.017 0.000 3.112 158 N HA 0.124 4.864 4.740 -0.000 0.000 0.270 158 N C -2.133 173.377 175.510 0.000 0.000 1.385 158 N CA -0.911 52.138 53.050 -0.003 0.000 0.986 158 N CB 1.222 39.706 38.487 -0.006 0.000 1.261 158 N HN 0.113 nan 8.380 nan 0.000 0.495 159 P HA -0.190 nan 4.420 nan 0.000 0.214 159 P C 1.157 178.434 177.300 -0.039 0.000 1.162 159 P CA 1.383 64.481 63.100 -0.003 0.000 0.874 159 P CB 0.203 31.913 31.700 0.016 0.000 0.784 160 E N 0.547 120.732 120.200 -0.024 0.000 2.233 160 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 160 E C 1.300 177.850 176.600 -0.085 0.000 1.004 160 E CA 1.416 57.765 56.400 -0.086 0.000 0.819 160 E CB -1.269 28.414 29.700 -0.028 0.000 0.738 160 E HN 0.317 nan 8.360 nan 0.000 0.478 161 D N 0.802 121.178 120.400 -0.040 0.000 2.162 161 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 161 D C 2.307 178.584 176.300 -0.038 0.000 0.964 161 D CA 1.043 55.023 54.000 -0.033 0.000 0.847 161 D CB -0.029 40.764 40.800 -0.012 0.000 0.988 161 D HN 0.119 nan 8.370 nan 0.000 0.480 162 V N 1.407 121.301 119.914 -0.034 0.000 2.295 162 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 162 V C 2.764 178.838 176.094 -0.033 0.000 1.049 162 V CA 1.090 63.379 62.300 -0.019 0.000 1.024 162 V CB -0.672 31.145 31.823 -0.009 0.000 0.648 162 V HN 0.016 nan 8.190 nan 0.000 0.447 163 V N 0.613 120.456 119.914 -0.119 0.000 2.231 163 V HA -0.366 3.754 4.120 -0.000 0.000 0.250 163 V C 2.797 178.762 176.094 -0.215 0.000 1.058 163 V CA 2.484 64.590 62.300 -0.324 0.000 1.022 163 V CB -1.472 30.001 31.823 -0.585 0.000 0.640 163 V HN 0.575 nan 8.190 nan 0.000 0.445 164 A N -0.180 122.540 122.820 -0.166 0.000 1.903 164 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 164 A C 2.335 179.924 177.584 0.009 0.000 1.191 164 A CA 2.501 54.491 52.037 -0.079 0.000 0.638 164 A CB -0.624 18.337 19.000 -0.065 0.000 0.823 164 A HN 0.570 nan 8.150 nan 0.000 0.451 165 R N -0.659 119.853 120.500 0.021 0.000 2.083 165 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 165 R C 2.184 178.561 176.300 0.128 0.000 1.137 165 R CA 1.585 57.720 56.100 0.059 0.000 0.951 165 R CB -0.248 30.078 30.300 0.043 0.000 0.851 165 R HN 0.324 nan 8.270 nan 0.000 0.434 166 K N 0.381 120.889 120.400 0.180 0.000 2.097 166 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 166 K C 2.043 178.923 176.600 0.468 0.000 1.050 166 K CA 1.329 57.822 56.287 0.343 0.000 0.938 166 K CB -0.394 32.266 32.500 0.267 0.000 0.718 166 K HN 0.177 nan 8.250 nan 0.000 0.442 167 A N 1.373 124.446 122.820 0.421 0.000 2.024 167 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 167 A C 2.322 180.031 177.584 0.208 0.000 1.164 167 A CA 1.931 54.197 52.037 0.381 0.000 0.643 167 A CB -0.419 18.726 19.000 0.242 0.000 0.806 167 A HN 0.301 nan 8.150 nan 0.000 0.451 168 A N -0.183 122.735 122.820 0.163 0.000 1.898 168 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 168 A C 1.823 179.469 177.584 0.102 0.000 1.183 168 A CA 1.252 53.353 52.037 0.105 0.000 0.622 168 A CB -0.406 18.642 19.000 0.080 0.000 0.824 168 A HN 0.582 nan 8.150 nan 0.000 0.444 169 E N -1.457 118.830 120.200 0.146 0.000 2.333 169 E HA 0.090 4.440 4.350 -0.000 0.000 0.198 169 E C 1.204 177.807 176.600 0.003 0.000 1.007 169 E CA 0.527 56.992 56.400 0.109 0.000 0.845 169 E CB -0.111 29.720 29.700 0.217 0.000 0.766 169 E HN 0.760 nan 8.360 nan 0.000 0.507 170 G N -0.193 108.617 108.800 0.017 0.000 2.227 170 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.168 170 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.168 170 G C -0.248 174.548 174.900 -0.173 0.000 1.006 170 G CA -0.564 44.478 45.100 -0.098 0.000 0.684 170 G HN 0.132 nan 8.290 nan 0.000 0.489 171 Y N 0.933 121.233 120.300 0.000 0.000 2.480 171 Y HA 0.557 5.107 4.550 -0.000 0.000 0.338 171 Y C 1.689 177.499 175.900 -0.149 0.000 1.220 171 Y CA 0.172 58.197 58.100 -0.125 0.000 1.430 171 Y CB 0.634 38.982 38.460 -0.185 0.000 1.311 171 Y HN -0.019 nan 8.280 nan 0.000 0.575 172 R N 1.367 121.770 120.500 -0.161 0.000 2.616 172 R HA 0.528 4.868 4.340 -0.000 0.000 0.427 172 R C -1.039 175.108 176.300 -0.255 0.000 1.030 172 R CA -0.186 55.852 56.100 -0.103 0.000 1.133 172 R CB 0.656 30.935 30.300 -0.035 0.000 1.444 172 R HN 0.560 nan 8.270 nan 0.000 0.578 173 A N 0.726 123.101 122.820 -0.742 0.000 2.517 173 A HA 0.761 5.081 4.320 -0.000 0.000 0.297 173 A C -1.393 175.663 177.584 -0.880 0.000 1.050 173 A CA -0.557 51.174 52.037 -0.509 0.000 0.694 173 A CB 1.106 20.015 19.000 -0.152 0.000 1.277 173 A HN 0.096 nan 8.150 nan 0.000 0.400 174 F N 0.644 120.596 119.950 0.005 0.000 2.588 174 F HA 0.685 5.212 4.527 -0.000 0.000 0.310 174 F C 0.074 175.831 175.800 -0.071 0.000 1.082 174 F CA -0.623 57.386 58.000 0.015 0.000 0.929 174 F CB 2.662 41.651 39.000 -0.017 0.000 1.254 174 F HN 0.526 nan 8.300 nan 0.000 0.455 175 K N 2.776 123.279 120.400 0.172 0.000 2.450 175 K HA 0.631 4.951 4.320 -0.000 0.000 0.257 175 K C -1.742 174.908 176.600 0.084 0.000 0.953 175 K CA -0.630 55.683 56.287 0.043 0.000 0.844 175 K CB 1.039 33.608 32.500 0.114 0.000 1.103 175 K HN 0.511 nan 8.250 nan 0.000 0.429 176 L N 3.411 124.661 121.223 0.045 0.000 2.379 176 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 176 L C 0.126 177.043 176.870 0.078 0.000 1.084 176 L CA -0.159 54.721 54.840 0.067 0.000 0.802 176 L CB 1.128 43.221 42.059 0.057 0.000 1.175 176 L HN 0.527 nan 8.230 nan 0.000 0.448 177 K N 1.348 121.822 120.400 0.123 0.000 2.143 177 K HA 0.676 4.996 4.320 -0.000 0.000 0.272 177 K C -0.453 176.260 176.600 0.187 0.000 1.001 177 K CA -0.508 55.869 56.287 0.150 0.000 0.915 177 K CB 1.723 34.395 32.500 0.288 0.000 1.047 177 K HN 0.491 nan 8.250 nan 0.000 0.458 178 V N -2.255 117.685 119.914 0.043 0.000 3.109 178 V HA 0.765 4.885 4.120 -0.000 0.000 0.311 178 V C 0.635 176.593 176.094 -0.227 0.000 1.389 178 V CA -0.158 62.196 62.300 0.090 0.000 1.034 178 V CB 0.809 32.739 31.823 0.178 0.000 1.105 178 V HN 0.880 nan 8.190 nan 0.000 0.477 179 G N -1.006 107.780 108.800 -0.022 0.000 2.179 179 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 179 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 179 G C 0.017 174.847 174.900 -0.117 0.000 0.977 179 G CA 0.932 45.890 45.100 -0.237 0.000 0.641 179 G HN 0.903 nan 8.290 nan 0.000 0.533 180 F N 0.922 120.955 119.950 0.139 0.000 2.204 180 F HA 0.388 4.915 4.527 -0.000 0.000 0.276 180 F C 1.335 177.211 175.800 0.127 0.000 1.085 180 F CA 1.123 59.184 58.000 0.102 0.000 1.160 180 F CB 0.109 39.150 39.000 0.068 0.000 1.091 180 F HN 0.152 nan 8.300 nan 0.000 0.522 181 D N -0.582 120.028 120.400 0.350 0.000 2.469 181 D HA 0.183 4.823 4.640 -0.000 0.000 0.251 181 D C 0.085 176.488 176.300 0.171 0.000 1.173 181 D CA -0.291 53.833 54.000 0.207 0.000 0.882 181 D CB 0.776 41.663 40.800 0.144 0.000 1.129 181 D HN -0.059 nan 8.370 nan 0.000 0.549 182 D N 2.779 123.255 120.400 0.127 0.000 2.191 182 D HA -0.273 4.367 4.640 -0.000 0.000 0.190 182 D C 1.874 178.200 176.300 0.044 0.000 1.007 182 D CA 1.941 55.974 54.000 0.054 0.000 0.865 182 D CB -0.246 40.531 40.800 -0.038 0.000 0.929 182 D HN 0.544 nan 8.370 nan 0.000 0.447 183 A N 0.646 123.489 122.820 0.039 0.000 1.835 183 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 183 A C 2.218 179.826 177.584 0.040 0.000 1.199 183 A CA 1.903 53.956 52.037 0.026 0.000 0.615 183 A CB -0.675 18.336 19.000 0.018 0.000 0.838 183 A HN 0.112 nan 8.150 nan 0.000 0.444 184 R N -0.498 120.035 120.500 0.055 0.000 2.097 184 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 184 R C 1.899 178.246 176.300 0.080 0.000 1.135 184 R CA 2.052 58.186 56.100 0.056 0.000 0.934 184 R CB -0.578 29.759 30.300 0.062 0.000 0.846 184 R HN 0.590 nan 8.270 nan 0.000 0.431 185 D N -0.113 120.362 120.400 0.125 0.000 2.137 185 D HA -0.190 4.450 4.640 -0.000 0.000 0.189 185 D C 1.960 178.324 176.300 0.107 0.000 0.998 185 D CA 1.714 55.804 54.000 0.150 0.000 0.839 185 D CB -0.589 40.345 40.800 0.223 0.000 0.962 185 D HN 0.108 nan 8.370 nan 0.000 0.446 186 V N 0.941 120.904 119.914 0.082 0.000 2.453 186 V HA -0.273 3.847 4.120 -0.000 0.000 0.252 186 V C 2.546 178.669 176.094 0.047 0.000 1.068 186 V CA 1.977 64.307 62.300 0.052 0.000 1.070 186 V CB -0.567 31.268 31.823 0.020 0.000 0.664 186 V HN 0.155 nan 8.190 nan 0.000 0.461 187 R N 0.217 120.744 120.500 0.044 0.000 2.073 187 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 187 R C 2.251 178.593 176.300 0.069 0.000 1.120 187 R CA 1.529 57.651 56.100 0.036 0.000 0.967 187 R CB -0.227 30.077 30.300 0.007 0.000 0.862 187 R HN 0.529 nan 8.270 nan 0.000 0.436 188 N N 0.720 119.467 118.700 0.077 0.000 2.084 188 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 188 N C 1.675 177.237 175.510 0.087 0.000 1.030 188 N CA 1.514 54.623 53.050 0.099 0.000 0.849 188 N CB -0.360 38.178 38.487 0.085 0.000 1.012 188 N HN 0.316 nan 8.380 nan 0.000 0.423 189 A N 1.648 124.510 122.820 0.070 0.000 1.883 189 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 189 A C 2.403 180.009 177.584 0.036 0.000 1.186 189 A CA 1.181 53.246 52.037 0.047 0.000 0.624 189 A CB -0.852 18.179 19.000 0.052 0.000 0.822 189 A HN 0.228 nan 8.150 nan 0.000 0.444 190 L N -1.896 119.358 121.223 0.052 0.000 2.156 190 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 190 L C 2.644 179.559 176.870 0.075 0.000 1.095 190 L CA 1.471 56.340 54.840 0.048 0.000 0.770 190 L CB -0.639 41.447 42.059 0.045 0.000 0.914 190 L HN 0.599 nan 8.230 nan 0.000 0.439 191 H N 0.089 119.149 119.070 -0.016 0.000 2.326 191 H HA -0.115 4.441 4.556 -0.000 0.000 0.301 191 H C 2.087 177.392 175.328 -0.038 0.000 1.081 191 H CA 1.785 57.819 56.048 -0.024 0.000 1.334 191 H CB -0.148 29.601 29.762 -0.023 0.000 1.385 191 H HN -0.025 nan 8.280 nan 0.000 0.504 192 V N 1.020 120.866 119.914 -0.114 0.000 2.407 192 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 192 V C 2.635 178.635 176.094 -0.157 0.000 1.055 192 V CA 1.992 64.170 62.300 -0.203 0.000 1.049 192 V CB -0.606 31.140 31.823 -0.129 0.000 0.662 192 V HN 0.315 nan 8.190 nan 0.000 0.455 193 R N 1.004 121.456 120.500 -0.079 0.000 2.105 193 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 193 R C 2.007 178.269 176.300 -0.062 0.000 1.135 193 R CA 1.904 57.972 56.100 -0.054 0.000 0.967 193 R CB -0.547 29.741 30.300 -0.021 0.000 0.861 193 R HN 0.652 nan 8.270 nan 0.000 0.442 194 E N -0.289 119.868 120.200 -0.072 0.000 2.072 194 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 194 E C 1.802 178.337 176.600 -0.107 0.000 0.982 194 E CA 1.097 57.459 56.400 -0.063 0.000 0.803 194 E CB -0.273 29.413 29.700 -0.024 0.000 0.755 194 E HN 0.231 nan 8.360 nan 0.000 0.453 195 L N 0.897 121.998 121.223 -0.202 0.000 2.191 195 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 195 L C 1.717 178.492 176.870 -0.158 0.000 1.103 195 L CA 1.553 56.261 54.840 -0.220 0.000 0.769 195 L CB -0.100 41.745 42.059 -0.357 0.000 0.908 195 L HN 0.077 nan 8.230 nan 0.000 0.438 196 L N -1.028 120.111 121.223 -0.139 0.000 2.221 196 L HA 0.440 4.780 4.340 -0.000 0.000 0.202 196 L C 1.237 178.084 176.870 -0.038 0.000 1.074 196 L CA 0.334 55.119 54.840 -0.091 0.000 0.795 196 L CB -0.524 41.487 42.059 -0.081 0.000 0.960 196 L HN 0.465 nan 8.230 nan 0.000 0.458 197 G N -1.293 107.486 108.800 -0.036 0.000 2.462 197 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.685 197 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.685 197 G C 0.241 175.137 174.900 -0.007 0.000 1.295 197 G CA -0.245 44.845 45.100 -0.017 0.000 0.941 197 G HN 0.113 nan 8.290 nan 0.000 0.554 198 A N -0.414 122.405 122.820 -0.002 0.000 1.872 198 A HA 0.463 4.782 4.320 -0.000 0.000 0.214 198 A C 2.985 180.573 177.584 0.007 0.000 1.187 198 A CA 3.338 55.376 52.037 0.002 0.000 0.614 198 A CB -1.143 17.858 19.000 0.003 0.000 0.826 198 A HN 2.522 nan 8.150 nan 0.000 0.442 199 A N -0.386 122.441 122.820 0.011 0.000 1.869 199 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 199 A C 1.560 179.157 177.584 0.022 0.000 1.203 199 A CA 1.901 53.946 52.037 0.015 0.000 0.638 199 A CB -1.807 17.203 19.000 0.015 0.000 0.831 199 A HN 0.439 nan 8.150 nan 0.000 0.450 200 T N 2.968 117.546 114.554 0.040 0.000 2.905 200 T HA 0.307 4.657 4.350 -0.000 0.000 0.299 200 T C -2.283 172.445 174.700 0.046 0.000 1.024 200 T CA -0.214 61.928 62.100 0.071 0.000 1.151 200 T CB 0.278 69.235 68.868 0.149 0.000 0.987 200 T HN 0.367 nan 8.240 nan 0.000 0.535 201 P HA 0.358 nan 4.420 nan 0.000 0.281 201 P C -0.937 176.321 177.300 -0.070 0.000 1.252 201 P CA -0.644 62.425 63.100 -0.052 0.000 0.778 201 P CB 0.843 32.491 31.700 -0.086 0.000 0.895 202 L N 4.594 125.745 121.223 -0.120 0.000 2.362 202 L HA 0.604 4.943 4.340 -0.000 0.000 0.275 202 L C -0.836 175.844 176.870 -0.316 0.000 0.998 202 L CA -0.664 54.098 54.840 -0.129 0.000 0.820 202 L CB 1.795 43.825 42.059 -0.047 0.000 1.270 202 L HN 0.243 nan 8.230 nan 0.000 0.415 203 M N 3.979 123.328 119.600 -0.418 0.000 2.644 203 M HA 0.873 5.353 4.480 -0.000 0.000 0.304 203 M C -0.697 175.412 176.300 -0.317 0.000 1.215 203 M CA -0.327 54.578 55.300 -0.658 0.000 0.871 203 M CB 2.294 34.072 32.600 -1.371 0.000 1.740 203 M HN 0.654 nan 8.290 nan 0.000 0.464 204 A N 0.743 123.423 122.820 -0.234 0.000 2.371 204 A HA 0.781 5.101 4.320 -0.000 0.000 0.311 204 A C -1.721 175.877 177.584 0.023 0.000 1.068 204 A CA -0.530 51.481 52.037 -0.043 0.000 0.744 204 A CB 1.044 20.062 19.000 0.031 0.000 1.239 204 A HN 0.696 nan 8.150 nan 0.000 0.435 205 D N 1.616 122.026 120.400 0.017 0.000 2.492 205 D HA 0.620 5.259 4.640 -0.000 0.000 0.248 205 D C 0.471 176.673 176.300 -0.164 0.000 1.101 205 D CA 0.259 54.260 54.000 0.001 0.000 0.840 205 D CB 1.974 42.804 40.800 0.051 0.000 1.209 205 D HN 0.457 nan 8.370 nan 0.000 0.524 206 A N 3.483 126.116 122.820 -0.312 0.000 2.220 206 A HA 0.157 4.476 4.320 -0.000 0.000 0.211 206 A C 0.717 177.988 177.584 -0.522 0.000 1.176 206 A CA 0.036 51.681 52.037 -0.655 0.000 0.834 206 A CB -0.574 17.678 19.000 -1.247 0.000 0.868 206 A HN 0.780 nan 8.150 nan 0.000 0.488 207 N N 0.162 118.688 118.700 -0.290 0.000 2.714 207 N HA -0.223 4.517 4.740 -0.000 0.000 0.253 207 N C -0.416 174.958 175.510 -0.226 0.000 1.024 207 N CA 0.826 53.749 53.050 -0.212 0.000 0.726 207 N CB -1.515 36.841 38.487 -0.220 0.000 0.908 207 N HN 0.646 nan 8.380 nan 0.000 0.542 208 Q N -3.179 116.505 119.800 -0.192 0.000 2.453 208 Q HA -0.241 4.099 4.340 -0.000 0.000 0.294 208 Q C 1.084 176.958 176.000 -0.211 0.000 1.295 208 Q CA 0.748 56.465 55.803 -0.143 0.000 0.853 208 Q CB -1.680 27.021 28.738 -0.062 0.000 1.193 208 Q HN 0.742 nan 8.270 nan 0.000 0.461 209 G N -1.409 107.151 108.800 -0.402 0.000 3.088 209 G HA2 0.116 4.076 3.960 -0.000 0.000 0.217 209 G HA3 0.116 4.076 3.960 -0.000 0.000 0.217 209 G C -0.205 174.586 174.900 -0.183 0.000 1.159 209 G CA -0.120 44.753 45.100 -0.379 0.000 0.760 209 G HN 0.231 nan 8.290 nan 0.000 0.550 210 W N 1.031 122.277 121.300 -0.090 0.000 2.902 210 W HA 0.453 5.113 4.660 -0.001 0.000 0.346 210 W C -0.714 175.737 176.519 -0.113 0.000 1.139 210 W CA -1.449 55.841 57.345 -0.092 0.000 1.139 210 W CB 0.775 30.179 29.460 -0.094 0.000 1.439 210 W HN 0.051 nan 8.180 nan 0.000 0.558 211 D N 0.163 120.650 120.400 0.146 0.000 2.272 211 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 211 D C 0.978 177.265 176.300 -0.021 0.000 0.990 211 D CA -0.653 53.359 54.000 0.020 0.000 0.931 211 D CB 1.810 42.614 40.800 0.006 0.000 1.195 211 D HN 0.174 nan 8.370 nan 0.000 0.477 212 L N 1.660 122.836 121.223 -0.079 0.000 2.054 212 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 212 L C -1.061 175.759 176.870 -0.083 0.000 1.081 212 L CA 2.399 57.178 54.840 -0.102 0.000 0.780 212 L CB -1.797 40.200 42.059 -0.104 0.000 0.893 212 L HN 0.417 nan 8.230 nan 0.000 0.438 213 P HA -0.195 nan 4.420 nan 0.000 0.213 213 P C 1.664 178.892 177.300 -0.120 0.000 1.170 213 P CA 1.678 64.730 63.100 -0.080 0.000 0.898 213 P CB -0.173 31.490 31.700 -0.062 0.000 0.787 214 R N -0.320 120.098 120.500 -0.136 0.000 2.096 214 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 214 R C 2.095 178.150 176.300 -0.408 0.000 1.127 214 R CA 1.560 57.505 56.100 -0.259 0.000 0.968 214 R CB -0.836 29.320 30.300 -0.240 0.000 0.861 214 R HN 0.055 nan 8.270 nan 0.000 0.440 215 A N 1.105 123.786 122.820 -0.232 0.000 1.902 215 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 215 A C 2.156 179.630 177.584 -0.184 0.000 1.181 215 A CA 1.436 53.380 52.037 -0.155 0.000 0.623 215 A CB -0.464 18.578 19.000 0.070 0.000 0.818 215 A HN 0.349 nan 8.150 nan 0.000 0.443 216 R N -0.899 119.518 120.500 -0.139 0.000 2.083 216 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 216 R C 2.613 178.832 176.300 -0.135 0.000 1.137 216 R CA 1.769 57.806 56.100 -0.105 0.000 0.951 216 R CB -0.361 29.889 30.300 -0.083 0.000 0.851 216 R HN 0.785 nan 8.270 nan 0.000 0.434 217 Q N 0.113 119.802 119.800 -0.186 0.000 1.993 217 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 217 Q C 2.070 177.930 176.000 -0.234 0.000 0.984 217 Q CA 1.378 57.067 55.803 -0.190 0.000 0.837 217 Q CB 0.086 28.702 28.738 -0.204 0.000 0.902 217 Q HN 0.217 nan 8.270 nan 0.000 0.423 218 M N 0.157 119.514 119.600 -0.406 0.000 2.149 218 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 218 M C 2.274 178.447 176.300 -0.212 0.000 1.064 218 M CA 1.542 56.573 55.300 -0.448 0.000 1.102 218 M CB -1.446 30.496 32.600 -1.097 0.000 1.369 218 M HN 0.351 nan 8.290 nan 0.000 0.408 219 A N -0.220 122.510 122.820 -0.151 0.000 1.865 219 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 219 A C 2.141 179.714 177.584 -0.018 0.000 1.191 219 A CA 1.998 54.024 52.037 -0.018 0.000 0.623 219 A CB -0.763 18.241 19.000 0.007 0.000 0.826 219 A HN 0.504 nan 8.150 nan 0.000 0.444 220 Q N -0.740 119.034 119.800 -0.044 0.000 2.079 220 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 220 Q C 2.242 178.224 176.000 -0.030 0.000 0.974 220 Q CA 1.555 57.340 55.803 -0.030 0.000 0.840 220 Q CB -0.169 28.546 28.738 -0.038 0.000 0.898 220 Q HN 0.641 nan 8.270 nan 0.000 0.430 221 R N -0.199 120.269 120.500 -0.053 0.000 2.249 221 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 221 R C 1.704 177.994 176.300 -0.017 0.000 1.121 221 R CA 0.852 56.926 56.100 -0.043 0.000 0.997 221 R CB -0.160 30.098 30.300 -0.070 0.000 0.867 221 R HN 0.273 nan 8.270 nan 0.000 0.465 222 L N -1.126 120.094 121.223 -0.005 0.000 2.463 222 L HA 0.132 4.472 4.340 -0.000 0.000 0.219 222 L C 2.418 179.300 176.870 0.021 0.000 1.088 222 L CA 0.273 55.127 54.840 0.022 0.000 0.849 222 L CB -0.321 41.771 42.059 0.055 0.000 1.012 222 L HN 0.248 nan 8.230 nan 0.000 0.468 223 G N 1.809 110.619 108.800 0.016 0.000 2.606 223 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.221 223 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.221 223 G C -0.680 174.228 174.900 0.013 0.000 1.152 223 G CA 1.056 46.166 45.100 0.017 0.000 0.765 223 G HN 0.299 nan 8.290 nan 0.000 0.595 224 P HA -0.053 nan 4.420 nan 0.000 0.217 224 P C 2.025 179.329 177.300 0.008 0.000 1.148 224 P CA 1.764 64.869 63.100 0.008 0.000 0.828 224 P CB -0.178 31.525 31.700 0.006 0.000 0.783 225 A N -0.975 121.850 122.820 0.010 0.000 2.121 225 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 225 A C 0.707 178.290 177.584 -0.002 0.000 1.154 225 A CA 0.788 52.828 52.037 0.005 0.000 0.679 225 A CB -0.850 18.156 19.000 0.010 0.000 0.795 225 A HN 0.117 nan 8.150 nan 0.000 0.458 226 Q N -1.161 118.640 119.800 0.003 0.000 2.454 226 Q HA -0.165 4.175 4.340 -0.000 0.000 0.341 226 Q C -0.752 175.240 176.000 -0.015 0.000 1.437 226 Q CA 0.725 56.529 55.803 0.001 0.000 0.935 226 Q CB -2.070 26.669 28.738 0.001 0.000 1.164 226 Q HN 0.691 nan 8.270 nan 0.000 0.373 227 L N 0.199 121.412 121.223 -0.017 0.000 2.395 227 L HA 0.145 4.485 4.340 -0.000 0.000 0.269 227 L C 1.584 178.424 176.870 -0.050 0.000 1.133 227 L CA -0.463 54.340 54.840 -0.061 0.000 0.812 227 L CB 0.493 42.520 42.059 -0.053 0.000 1.125 227 L HN 0.060 nan 8.230 nan 0.000 0.452 228 D N 0.844 121.161 120.400 -0.139 0.000 2.178 228 D HA -0.039 4.600 4.640 -0.000 0.000 0.202 228 D C -0.545 175.859 176.300 0.172 0.000 0.974 228 D CA 1.411 55.390 54.000 -0.036 0.000 0.841 228 D CB 0.238 40.943 40.800 -0.159 0.000 0.953 228 D HN 0.502 nan 8.370 nan 0.000 0.478 229 W N -1.129 120.169 121.300 -0.004 0.000 3.161 229 W HA 0.413 5.073 4.660 -0.000 0.000 0.314 229 W C -2.311 174.232 176.519 0.040 0.000 1.245 229 W CA -1.012 56.346 57.345 0.022 0.000 1.191 229 W CB 0.343 29.811 29.460 0.013 0.000 1.392 229 W HN -0.319 nan 8.180 nan 0.000 0.568 230 L N 3.098 124.569 121.223 0.412 0.000 2.298 230 L HA 0.439 4.779 4.340 -0.000 0.000 0.284 230 L C -0.162 176.949 176.870 0.402 0.000 1.013 230 L CA -0.629 54.400 54.840 0.314 0.000 0.824 230 L CB 1.456 43.670 42.059 0.259 0.000 1.221 230 L HN 0.768 nan 8.230 nan 0.000 0.418 231 E N 4.409 124.841 120.200 0.385 0.000 2.283 231 E HA 0.099 4.449 4.350 -0.000 0.000 0.278 231 E C -0.350 176.346 176.600 0.160 0.000 1.027 231 E CA -0.312 56.278 56.400 0.317 0.000 0.843 231 E CB 0.665 30.596 29.700 0.384 0.000 1.062 231 E HN 0.537 nan 8.360 nan 0.000 0.401 232 E N 3.201 123.524 120.200 0.206 0.000 2.106 232 E HA -0.190 4.160 4.350 -0.000 0.000 0.175 232 E C -1.831 174.802 176.600 0.054 0.000 1.448 232 E CA 0.012 56.543 56.400 0.220 0.000 0.672 232 E CB -0.432 29.334 29.700 0.109 0.000 1.057 232 E HN 0.522 nan 8.360 nan 0.000 0.321 233 P HA -0.093 nan 4.420 nan 0.000 0.223 233 P C 0.483 177.702 177.300 -0.134 0.000 1.151 233 P CA 1.127 64.186 63.100 -0.068 0.000 0.787 233 P CB 0.396 32.183 31.700 0.145 0.000 0.788 234 L N -1.347 119.726 121.223 -0.249 0.000 2.283 234 L HA 0.479 4.818 4.340 -0.000 0.000 0.259 234 L C 0.709 177.603 176.870 0.040 0.000 1.027 234 L CA -1.536 53.144 54.840 -0.267 0.000 0.828 234 L CB 1.534 43.131 42.059 -0.769 0.000 1.380 234 L HN -0.376 nan 8.230 nan 0.000 0.425 235 R N 0.288 120.819 120.500 0.052 0.000 2.537 235 R HA 0.201 4.541 4.340 -0.000 0.000 0.280 235 R C 0.847 177.334 176.300 0.311 0.000 1.058 235 R CA 0.193 56.367 56.100 0.124 0.000 1.057 235 R CB 0.770 31.105 30.300 0.058 0.000 0.973 235 R HN 0.813 nan 8.270 nan 0.000 0.438 236 A N 2.369 125.327 122.820 0.230 0.000 2.186 236 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 236 A C 1.604 179.254 177.584 0.110 0.000 1.159 236 A CA 1.552 53.673 52.037 0.140 0.000 0.680 236 A CB -0.281 18.689 19.000 -0.048 0.000 0.787 236 A HN 0.748 nan 8.150 nan 0.000 0.467 237 D N -0.235 120.238 120.400 0.121 0.000 2.183 237 D HA -0.062 4.578 4.640 -0.000 0.000 0.203 237 D C 0.913 177.290 176.300 0.128 0.000 0.969 237 D CA 0.256 54.303 54.000 0.079 0.000 0.842 237 D CB -0.119 40.709 40.800 0.048 0.000 0.957 237 D HN 0.206 nan 8.370 nan 0.000 0.484 238 R N 1.035 121.667 120.500 0.219 0.000 2.740 238 R HA 0.062 4.401 4.340 -0.000 0.000 0.263 238 R C -2.122 174.327 176.300 0.247 0.000 0.997 238 R CA -0.785 55.434 56.100 0.198 0.000 1.108 238 R CB -1.037 29.332 30.300 0.116 0.000 0.969 238 R HN 0.151 nan 8.270 nan 0.000 0.431 239 P HA 0.047 nan 4.420 nan 0.000 0.271 239 P C 0.171 177.611 177.300 0.234 0.000 1.216 239 P CA 0.158 63.340 63.100 0.138 0.000 0.776 239 P CB 0.655 32.400 31.700 0.074 0.000 0.881 240 A N 3.821 126.744 122.820 0.171 0.000 1.927 240 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 240 A C 2.140 179.840 177.584 0.193 0.000 1.185 240 A CA 2.433 54.575 52.037 0.175 0.000 0.639 240 A CB -1.697 17.335 19.000 0.054 0.000 0.820 240 A HN 0.571 nan 8.150 nan 0.000 0.451 241 A N -0.373 122.519 122.820 0.119 0.000 1.917 241 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 241 A C 1.934 179.569 177.584 0.084 0.000 1.182 241 A CA 1.816 53.904 52.037 0.085 0.000 0.633 241 A CB -0.569 18.462 19.000 0.051 0.000 0.819 241 A HN 0.688 nan 8.150 nan 0.000 0.448 242 E N -1.587 118.660 120.200 0.078 0.000 2.072 242 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 242 E C 1.831 178.412 176.600 -0.032 0.000 0.985 242 E CA 1.234 57.627 56.400 -0.012 0.000 0.801 242 E CB -0.234 29.413 29.700 -0.089 0.000 0.750 242 E HN 0.876 nan 8.360 nan 0.000 0.452 243 W N 1.101 122.406 121.300 0.008 0.000 2.355 243 W HA -0.128 4.532 4.660 -0.000 0.000 0.309 243 W C 2.650 179.178 176.519 0.015 0.000 1.206 243 W CA 1.197 58.550 57.345 0.012 0.000 1.284 243 W CB -0.497 28.963 29.460 0.000 0.000 1.145 243 W HN 0.071 nan 8.180 nan 0.000 0.502 244 A N 0.115 123.078 122.820 0.239 0.000 1.892 244 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 244 A C 1.929 179.569 177.584 0.093 0.000 1.188 244 A CA 2.120 54.241 52.037 0.141 0.000 0.631 244 A CB -1.085 17.974 19.000 0.099 0.000 0.822 244 A HN 0.419 nan 8.150 nan 0.000 0.447 245 E N -0.753 119.485 120.200 0.063 0.000 2.085 245 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 245 E C 1.922 178.536 176.600 0.022 0.000 0.994 245 E CA 1.494 57.911 56.400 0.030 0.000 0.801 245 E CB -0.183 29.521 29.700 0.006 0.000 0.743 245 E HN 0.474 nan 8.360 nan 0.000 0.453 246 L N 0.674 121.906 121.223 0.014 0.000 2.093 246 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 246 L C 2.232 179.138 176.870 0.060 0.000 1.085 246 L CA 2.000 56.842 54.840 0.005 0.000 0.755 246 L CB -0.614 41.406 42.059 -0.066 0.000 0.904 246 L HN 0.130 nan 8.230 nan 0.000 0.435 247 A N -1.028 121.855 122.820 0.105 0.000 1.902 247 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 247 A C 2.199 179.831 177.584 0.080 0.000 1.181 247 A CA 1.883 53.991 52.037 0.118 0.000 0.623 247 A CB -0.573 18.509 19.000 0.138 0.000 0.818 247 A HN 0.641 nan 8.150 nan 0.000 0.443 248 Q N -0.765 119.072 119.800 0.062 0.000 1.975 248 Q HA -0.149 4.191 4.340 -0.000 0.000 0.205 248 Q C 2.532 178.553 176.000 0.035 0.000 0.990 248 Q CA 1.583 57.412 55.803 0.044 0.000 0.845 248 Q CB -0.423 28.336 28.738 0.035 0.000 0.913 248 Q HN 0.665 nan 8.270 nan 0.000 0.420 249 A N 1.237 124.073 122.820 0.026 0.000 1.908 249 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 249 A C 1.270 178.866 177.584 0.021 0.000 1.181 249 A CA 1.065 53.111 52.037 0.015 0.000 0.627 249 A CB -0.904 18.096 19.000 -0.000 0.000 0.818 249 A HN 0.417 nan 8.150 nan 0.000 0.445 250 A N 0.220 123.062 122.820 0.037 0.000 2.511 250 A HA 0.397 4.716 4.320 -0.000 0.000 0.242 250 A C -0.641 176.974 177.584 0.052 0.000 1.069 250 A CA -0.297 51.770 52.037 0.050 0.000 0.763 250 A CB 0.074 19.123 19.000 0.082 0.000 1.001 250 A HN 0.369 nan 8.150 nan 0.000 0.498 251 P HA 0.020 nan 4.420 nan 0.000 0.230 251 P C 0.285 177.620 177.300 0.059 0.000 1.168 251 P CA 0.703 63.829 63.100 0.044 0.000 0.793 251 P CB 0.062 31.781 31.700 0.032 0.000 0.851 252 M N -1.082 118.564 119.600 0.078 0.000 2.762 252 M HA 0.691 5.171 4.480 -0.000 0.000 0.306 252 M C -3.194 173.185 176.300 0.131 0.000 1.223 252 M CA -2.906 52.453 55.300 0.099 0.000 0.896 252 M CB 0.043 32.703 32.600 0.101 0.000 1.684 252 M HN -0.403 nan 8.290 nan 0.000 0.491 253 P HA 0.349 nan 4.420 nan 0.000 0.271 253 P C -0.961 176.471 177.300 0.221 0.000 1.216 253 P CA -0.326 62.878 63.100 0.174 0.000 0.776 253 P CB 0.449 32.259 31.700 0.184 0.000 0.881 254 L N 2.578 123.913 121.223 0.187 0.000 2.312 254 L HA 0.629 4.969 4.340 -0.000 0.000 0.281 254 L C 0.323 177.276 176.870 0.138 0.000 1.070 254 L CA -0.163 54.811 54.840 0.224 0.000 0.805 254 L CB 0.569 42.791 42.059 0.272 0.000 1.174 254 L HN 0.395 nan 8.230 nan 0.000 0.434 255 A N 1.826 124.723 122.820 0.129 0.000 2.374 255 A HA 0.976 5.296 4.320 -0.000 0.000 0.317 255 A C -0.224 177.357 177.584 -0.004 0.000 1.094 255 A CA 0.112 52.099 52.037 -0.083 0.000 0.765 255 A CB 1.657 20.370 19.000 -0.479 0.000 1.268 255 A HN 0.806 nan 8.150 nan 0.000 0.438 256 G N -1.477 107.275 108.800 -0.081 0.000 2.559 256 G HA2 0.654 4.614 3.960 -0.000 0.000 0.291 256 G HA3 0.654 4.614 3.960 -0.000 0.000 0.291 256 G C 0.133 174.999 174.900 -0.057 0.000 1.424 256 G CA 0.352 45.411 45.100 -0.069 0.000 0.786 256 G HN 2.126 nan 8.290 nan 0.000 0.485 257 G N -0.623 108.147 108.800 -0.050 0.000 3.211 257 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.202 257 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.202 257 G C 1.072 175.999 174.900 0.046 0.000 1.035 257 G CA 1.185 46.314 45.100 0.049 0.000 0.846 257 G HN 1.107 nan 8.290 nan 0.000 0.464 258 E N 1.466 121.687 120.200 0.035 0.000 2.219 258 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 258 E C 1.287 177.848 176.600 -0.064 0.000 0.998 258 E CA 2.017 58.437 56.400 0.033 0.000 0.818 258 E CB -0.458 29.347 29.700 0.175 0.000 0.741 258 E HN 0.664 nan 8.360 nan 0.000 0.477 259 N N -0.585 118.056 118.700 -0.099 0.000 2.416 259 N HA 0.292 5.032 4.740 -0.000 0.000 0.267 259 N C -1.026 174.334 175.510 -0.251 0.000 1.294 259 N CA -0.223 52.733 53.050 -0.158 0.000 0.891 259 N CB 0.863 39.282 38.487 -0.114 0.000 1.238 259 N HN 0.063 nan 8.380 nan 0.000 0.508 260 I N 0.982 121.341 120.570 -0.353 0.000 2.474 260 I HA 0.696 4.866 4.170 -0.000 0.000 0.294 260 I C -0.596 175.095 176.117 -0.710 0.000 1.005 260 I CA -0.959 59.923 61.300 -0.695 0.000 1.113 260 I CB 1.886 39.154 38.000 -1.221 0.000 1.289 260 I HN -0.043 nan 8.210 nan 0.000 0.436 261 A N 4.253 126.644 122.820 -0.715 0.000 2.486 261 A HA 0.918 5.238 4.320 -0.000 0.000 0.300 261 A C -0.259 176.757 177.584 -0.947 0.000 1.048 261 A CA -0.167 51.377 52.037 -0.822 0.000 0.696 261 A CB 1.711 20.472 19.000 -0.397 0.000 1.278 261 A HN 1.192 nan 8.150 nan 0.000 0.405 262 G N -0.419 107.399 108.800 -1.637 0.000 2.712 262 G HA2 0.254 4.214 3.960 -0.000 0.000 0.686 262 G HA3 0.254 4.214 3.960 -0.000 0.000 0.686 262 G C 0.609 175.278 174.900 -0.385 0.000 1.181 262 G CA -0.059 44.666 45.100 -0.625 0.000 0.762 262 G HN 2.175 nan 8.290 nan 0.000 0.641 263 V N -0.338 119.591 119.914 0.026 0.000 2.358 263 V HA 0.190 4.310 4.120 -0.000 0.000 0.246 263 V C 2.985 179.093 176.094 0.023 0.000 1.047 263 V CA 2.787 65.145 62.300 0.097 0.000 1.035 263 V CB -1.197 30.738 31.823 0.186 0.000 0.658 263 V HN 2.551 nan 8.190 nan 0.000 0.452 264 A N 1.033 123.845 122.820 -0.014 0.000 1.873 264 A HA -0.081 4.238 4.320 -0.000 0.000 0.218 264 A C 2.585 180.108 177.584 -0.102 0.000 1.193 264 A CA 3.144 55.155 52.037 -0.043 0.000 0.629 264 A CB -1.388 17.586 19.000 -0.043 0.000 0.826 264 A HN 1.097 nan 8.150 nan 0.000 0.447 265 A N -1.399 121.303 122.820 -0.196 0.000 1.883 265 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 265 A C 1.984 179.365 177.584 -0.338 0.000 1.186 265 A CA 1.696 53.545 52.037 -0.313 0.000 0.624 265 A CB -0.790 17.927 19.000 -0.472 0.000 0.822 265 A HN 0.466 nan 8.150 nan 0.000 0.444 266 F N -0.288 119.507 119.950 -0.258 0.000 2.186 266 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 266 F C 2.377 178.090 175.800 -0.144 0.000 1.090 266 F CA 1.672 59.543 58.000 -0.214 0.000 1.307 266 F CB -0.359 38.503 39.000 -0.229 0.000 1.019 266 F HN 0.253 nan 8.300 nan 0.000 0.489 267 E N -0.193 120.040 120.200 0.055 0.000 2.077 267 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 267 E C 2.177 178.765 176.600 -0.019 0.000 0.989 267 E CA 1.842 58.255 56.400 0.021 0.000 0.800 267 E CB -0.414 29.295 29.700 0.014 0.000 0.746 267 E HN 0.208 nan 8.360 nan 0.000 0.452 268 T N 0.026 114.545 114.554 -0.059 0.000 2.737 268 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 268 T C 1.828 176.472 174.700 -0.093 0.000 1.038 268 T CA 1.386 63.440 62.100 -0.076 0.000 1.144 268 T CB -0.472 68.334 68.868 -0.103 0.000 0.866 268 T HN 0.310 nan 8.240 nan 0.000 0.434 269 A N 1.574 124.313 122.820 -0.136 0.000 1.877 269 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 269 A C 2.249 179.785 177.584 -0.081 0.000 1.186 269 A CA 1.405 53.346 52.037 -0.160 0.000 0.620 269 A CB -0.943 17.917 19.000 -0.234 0.000 0.822 269 A HN 0.391 nan 8.150 nan 0.000 0.443 270 L N -0.103 121.103 121.223 -0.029 0.000 2.042 270 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 270 L C 2.634 179.496 176.870 -0.013 0.000 1.076 270 L CA 2.357 57.193 54.840 -0.005 0.000 0.749 270 L CB -0.953 41.117 42.059 0.018 0.000 0.893 270 L HN 0.365 nan 8.230 nan 0.000 0.432 271 A N -0.716 122.093 122.820 -0.018 0.000 1.898 271 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 271 A C 2.455 180.031 177.584 -0.013 0.000 1.181 271 A CA 1.699 53.728 52.037 -0.013 0.000 0.620 271 A CB -1.108 17.884 19.000 -0.014 0.000 0.819 271 A HN 0.576 nan 8.150 nan 0.000 0.442 272 A N -1.213 121.593 122.820 -0.024 0.000 1.902 272 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 272 A C 1.488 179.072 177.584 -0.001 0.000 1.181 272 A CA 1.539 53.567 52.037 -0.015 0.000 0.623 272 A CB -0.352 18.629 19.000 -0.033 0.000 0.818 272 A HN 0.581 nan 8.150 nan 0.000 0.443 273 R N -1.880 118.614 120.500 -0.009 0.000 3.872 273 R HA -0.147 4.193 4.340 -0.000 0.000 0.341 273 R C 1.167 177.482 176.300 0.025 0.000 1.172 273 R CA 0.558 56.661 56.100 0.006 0.000 0.901 273 R CB -2.459 27.850 30.300 0.015 0.000 1.422 273 R HN 0.506 nan 8.270 nan 0.000 0.523 274 S N 0.236 115.951 115.700 0.025 0.000 2.387 274 S HA 0.050 4.520 4.470 -0.000 0.000 0.226 274 S C 0.944 175.596 174.600 0.086 0.000 1.026 274 S CA 0.598 58.851 58.200 0.088 0.000 0.972 274 S CB 0.183 63.470 63.200 0.146 0.000 0.814 274 S HN 0.251 nan 8.310 nan 0.000 0.477 275 L N 2.163 123.386 121.223 0.000 0.000 2.260 275 L HA 0.385 4.725 4.340 -0.000 0.000 0.289 275 L C 1.138 178.004 176.870 -0.005 0.000 1.057 275 L CA -0.293 54.540 54.840 -0.011 0.000 0.811 275 L CB 0.916 42.909 42.059 -0.110 0.000 1.184 275 L HN 0.039 nan 8.230 nan 0.000 0.429 276 R N 2.068 122.577 120.500 0.015 0.000 2.317 276 R HA 0.206 4.546 4.340 -0.000 0.000 0.208 276 R C -0.535 175.748 176.300 -0.028 0.000 0.914 276 R CA 0.152 56.260 56.100 0.012 0.000 1.060 276 R CB 0.624 30.950 30.300 0.045 0.000 1.015 276 R HN 0.358 nan 8.270 nan 0.000 0.498 277 V N 1.800 121.659 119.914 -0.093 0.000 2.462 277 V HA 0.256 4.376 4.120 -0.000 0.000 0.288 277 V C -0.646 175.326 176.094 -0.203 0.000 1.020 277 V CA -0.575 61.596 62.300 -0.215 0.000 0.857 277 V CB 1.606 33.133 31.823 -0.494 0.000 1.013 277 V HN 0.080 nan 8.190 nan 0.000 0.431 278 M N 3.871 123.416 119.600 -0.092 0.000 2.233 278 M HA 0.462 4.941 4.480 -0.000 0.000 0.355 278 M C 0.007 176.300 176.300 -0.012 0.000 1.191 278 M CA 0.349 55.643 55.300 -0.011 0.000 1.101 278 M CB 1.365 34.013 32.600 0.080 0.000 1.592 278 M HN 0.590 nan 8.290 nan 0.000 0.461 279 Q N 4.818 124.621 119.800 0.005 0.000 2.965 279 Q HA 0.349 4.689 4.340 -0.000 0.000 0.288 279 Q C -2.462 173.552 176.000 0.024 0.000 0.974 279 Q CA -1.811 53.963 55.803 -0.048 0.000 0.849 279 Q CB 0.529 29.197 28.738 -0.117 0.000 1.280 279 Q HN 0.358 nan 8.270 nan 0.000 0.441 280 P HA 0.004 nan 4.420 nan 0.000 0.275 280 P C -0.681 176.655 177.300 0.061 0.000 1.227 280 P CA -0.041 63.129 63.100 0.117 0.000 0.781 280 P CB 1.195 32.770 31.700 -0.208 0.000 0.906 281 D N 3.211 123.660 120.400 0.082 0.000 2.443 281 D HA 0.088 4.728 4.640 -0.000 0.000 0.221 281 D C 1.410 177.734 176.300 0.040 0.000 1.097 281 D CA -0.480 53.546 54.000 0.043 0.000 0.865 281 D CB 0.733 41.563 40.800 0.050 0.000 1.034 281 D HN 0.309 nan 8.370 nan 0.000 0.511 282 L N 2.204 123.393 121.223 -0.057 0.000 2.265 282 L HA 0.013 4.352 4.340 -0.000 0.000 0.215 282 L C 1.555 178.297 176.870 -0.214 0.000 1.117 282 L CA 1.321 56.049 54.840 -0.187 0.000 0.782 282 L CB -0.098 41.748 42.059 -0.355 0.000 0.914 282 L HN 0.274 nan 8.230 nan 0.000 0.441 283 A N -0.386 122.330 122.820 -0.173 0.000 2.218 283 A HA 0.027 4.347 4.320 -0.000 0.000 0.209 283 A C 2.269 179.926 177.584 0.121 0.000 1.168 283 A CA 0.630 52.605 52.037 -0.103 0.000 0.804 283 A CB -0.171 18.658 19.000 -0.285 0.000 0.834 283 A HN 0.498 nan 8.150 nan 0.000 0.482 284 K N -2.767 117.691 120.400 0.096 0.000 2.313 284 K HA 0.171 4.491 4.320 -0.000 0.000 0.197 284 K C -0.432 176.272 176.600 0.173 0.000 1.061 284 K CA 0.167 56.495 56.287 0.067 0.000 0.980 284 K CB 0.421 32.793 32.500 -0.215 0.000 0.888 284 K HN 0.491 nan 8.250 nan 0.000 0.502 285 W N -1.081 120.219 121.300 -0.001 0.000 3.479 285 W HA 0.325 4.985 4.660 -0.000 0.000 0.304 285 W C 0.251 176.782 176.519 0.019 0.000 1.243 285 W CA 0.176 57.557 57.345 0.059 0.000 1.202 285 W CB 0.911 30.431 29.460 0.101 0.000 1.346 285 W HN 0.217 nan 8.180 nan 0.000 0.539 286 G N 2.518 110.467 108.800 -1.419 0.000 2.451 286 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.253 286 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.253 286 G C 1.356 175.627 174.900 -1.047 0.000 1.033 286 G CA 1.669 45.754 45.100 -1.692 0.000 0.633 286 G HN 2.284 nan 8.290 nan 0.000 0.537 287 G N -0.583 107.845 108.800 -0.620 0.000 2.582 287 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.288 287 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.288 287 G C 0.710 175.286 174.900 -0.539 0.000 1.247 287 G CA 0.938 45.710 45.100 -0.548 0.000 0.972 287 G HN 1.001 nan 8.290 nan 0.000 0.557 288 F N 1.060 120.849 119.950 -0.268 0.000 2.128 288 F HA 0.045 4.572 4.527 -0.000 0.000 0.295 288 F C 3.222 178.861 175.800 -0.268 0.000 1.100 288 F CA 2.008 59.900 58.000 -0.179 0.000 1.260 288 F CB -0.814 38.167 39.000 -0.033 0.000 1.009 288 F HN 0.320 nan 8.300 nan 0.000 0.476 289 S N -0.138 115.431 115.700 -0.218 0.000 2.383 289 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 289 S C 2.375 176.670 174.600 -0.509 0.000 1.030 289 S CA 1.315 59.301 58.200 -0.358 0.000 1.002 289 S CB -0.989 61.910 63.200 -0.500 0.000 0.829 289 S HN 0.505 nan 8.310 nan 0.000 0.467 290 G N -0.025 108.260 108.800 -0.860 0.000 2.437 290 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.212 290 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.212 290 G C 1.511 176.246 174.900 -0.275 0.000 1.174 290 G CA 0.751 45.399 45.100 -0.753 0.000 0.811 290 G HN 0.571 nan 8.290 nan 0.000 0.537 291 C N 0.239 119.368 119.300 -0.285 0.000 2.450 291 C HA 0.104 4.564 4.460 -0.000 0.000 0.279 291 C C 2.671 177.558 174.990 -0.171 0.000 1.335 291 C CA 0.360 59.291 59.018 -0.146 0.000 1.749 291 C CB -0.856 26.802 27.740 -0.136 0.000 1.963 291 C HN 0.426 nan 8.230 nan 0.000 0.501 292 L N 2.915 124.072 121.223 -0.108 0.000 1.990 292 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 292 L C -0.229 176.559 176.870 -0.136 0.000 1.072 292 L CA 2.598 57.382 54.840 -0.094 0.000 0.755 292 L CB -1.742 40.300 42.059 -0.028 0.000 0.889 292 L HN 0.148 nan 8.230 nan 0.000 0.432 293 P HA -0.144 nan 4.420 nan 0.000 0.218 293 P C 2.021 179.255 177.300 -0.110 0.000 1.149 293 P CA 1.754 64.805 63.100 -0.082 0.000 0.817 293 P CB -0.222 31.458 31.700 -0.032 0.000 0.785 294 V N -0.051 119.776 119.914 -0.144 0.000 2.548 294 V HA -0.077 4.043 4.120 -0.000 0.000 0.249 294 V C 2.364 178.281 176.094 -0.294 0.000 1.055 294 V CA 2.008 64.180 62.300 -0.213 0.000 1.065 294 V CB -1.252 30.354 31.823 -0.363 0.000 0.681 294 V HN 0.057 nan 8.190 nan 0.000 0.462 295 A N 0.475 123.042 122.820 -0.422 0.000 1.873 295 A HA -0.169 4.150 4.320 -0.000 0.000 0.215 295 A C 2.309 179.684 177.584 -0.347 0.000 1.186 295 A CA 1.795 53.431 52.037 -0.668 0.000 0.616 295 A CB -0.617 17.675 19.000 -1.180 0.000 0.823 295 A HN 0.582 nan 8.150 nan 0.000 0.442 296 R N -0.471 119.886 120.500 -0.239 0.000 2.105 296 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 296 R C 2.419 178.665 176.300 -0.091 0.000 1.135 296 R CA 1.228 57.250 56.100 -0.130 0.000 0.967 296 R CB -0.438 29.804 30.300 -0.098 0.000 0.861 296 R HN 0.528 nan 8.270 nan 0.000 0.442 297 A N 0.485 123.248 122.820 -0.095 0.000 1.898 297 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 297 A C 2.328 179.885 177.584 -0.045 0.000 1.181 297 A CA 1.257 53.259 52.037 -0.057 0.000 0.620 297 A CB -0.466 18.505 19.000 -0.049 0.000 0.819 297 A HN 0.107 nan 8.150 nan 0.000 0.442 298 V N -0.323 119.553 119.914 -0.063 0.000 2.261 298 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 298 V C 2.587 178.680 176.094 -0.001 0.000 1.047 298 V CA 2.106 64.392 62.300 -0.023 0.000 1.015 298 V CB -0.924 30.893 31.823 -0.011 0.000 0.642 298 V HN 0.364 nan 8.190 nan 0.000 0.446 299 V N 0.371 120.282 119.914 -0.005 0.000 2.287 299 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 299 V C 2.697 178.796 176.094 0.008 0.000 1.053 299 V CA 2.133 64.444 62.300 0.018 0.000 1.027 299 V CB -1.197 30.638 31.823 0.019 0.000 0.646 299 V HN 0.574 nan 8.190 nan 0.000 0.447 300 A N -0.250 122.566 122.820 -0.007 0.000 2.070 300 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 300 A C 2.157 179.741 177.584 -0.000 0.000 1.159 300 A CA 1.657 53.691 52.037 -0.005 0.000 0.656 300 A CB -0.512 18.481 19.000 -0.013 0.000 0.800 300 A HN 0.612 nan 8.150 nan 0.000 0.453 301 A N -1.849 120.971 122.820 0.000 0.000 2.251 301 A HA 0.425 4.744 4.320 -0.000 0.000 0.209 301 A C 1.749 179.339 177.584 0.010 0.000 1.187 301 A CA 1.101 53.140 52.037 0.004 0.000 0.823 301 A CB -0.892 18.110 19.000 0.002 0.000 0.846 301 A HN 1.802 nan 8.150 nan 0.000 0.486 302 G N -1.419 107.390 108.800 0.014 0.000 2.176 302 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 302 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 302 G C 0.233 175.148 174.900 0.024 0.000 0.979 302 G CA 0.494 45.605 45.100 0.019 0.000 0.641 302 G HN 0.423 nan 8.290 nan 0.000 0.530 303 L N -0.905 120.331 121.223 0.022 0.000 2.569 303 L HA 0.682 5.022 4.340 -0.000 0.000 0.247 303 L C 1.135 178.025 176.870 0.032 0.000 1.135 303 L CA -1.093 53.761 54.840 0.023 0.000 0.812 303 L CB 0.734 42.802 42.059 0.016 0.000 1.431 303 L HN 0.138 nan 8.230 nan 0.000 0.499 304 R N -0.034 120.479 120.500 0.021 0.000 2.387 304 R HA 0.271 4.610 4.340 -0.000 0.000 0.314 304 R C -1.626 174.689 176.300 0.024 0.000 0.958 304 R CA -0.588 55.525 56.100 0.021 0.000 0.846 304 R CB 1.141 31.437 30.300 -0.008 0.000 1.147 304 R HN 0.420 nan 8.270 nan 0.000 0.447 305 Y N 4.715 124.979 120.300 -0.060 0.000 2.385 305 Y HA 0.380 4.929 4.550 -0.000 0.000 0.341 305 Y C -1.287 174.581 175.900 -0.053 0.000 0.965 305 Y CA -1.105 56.953 58.100 -0.070 0.000 1.180 305 Y CB 0.856 39.288 38.460 -0.046 0.000 1.139 305 Y HN 0.535 nan 8.280 nan 0.000 0.502 306 C N 10.094 129.047 119.300 -0.578 0.000 2.654 306 C HA 0.408 4.868 4.460 -0.000 0.000 0.315 306 C C -2.346 172.384 174.990 -0.434 0.000 1.054 306 C CA -1.276 57.446 59.018 -0.495 0.000 1.419 306 C CB 0.602 28.166 27.740 -0.293 0.000 1.889 306 C HN 0.683 nan 8.230 nan 0.000 0.447 307 P HA 0.540 nan 4.420 nan 0.000 0.279 307 P C -1.171 176.112 177.300 -0.029 0.000 1.276 307 P CA 0.116 63.054 63.100 -0.270 0.000 0.801 307 P CB 1.180 32.770 31.700 -0.183 0.000 1.127 308 H N -2.793 116.339 119.070 0.102 0.000 3.079 308 H HA 0.615 5.171 4.556 -0.000 0.000 0.356 308 H C -2.207 173.265 175.328 0.240 0.000 1.221 308 H CA -0.904 55.214 56.048 0.117 0.000 1.185 308 H CB 0.487 30.328 29.762 0.133 0.000 1.882 308 H HN 0.352 nan 8.280 nan 0.000 0.543 309 Y N 2.944 123.421 120.300 0.296 0.000 2.361 309 Y HA 0.418 4.968 4.550 -0.000 0.000 0.328 309 Y C -1.423 174.603 175.900 0.209 0.000 1.044 309 Y CA -1.620 56.647 58.100 0.278 0.000 1.085 309 Y CB 1.593 40.154 38.460 0.168 0.000 1.194 309 Y HN 0.725 nan 8.280 nan 0.000 0.438 310 L N 6.443 127.426 121.223 -0.399 0.000 3.073 310 L HA 0.492 4.831 4.340 -0.000 0.000 0.242 310 L C 0.765 177.327 176.870 -0.513 0.000 1.317 310 L CA 0.110 54.758 54.840 -0.320 0.000 1.081 310 L CB -0.576 41.420 42.059 -0.105 0.000 1.456 310 L HN 0.820 nan 8.230 nan 0.000 0.525 311 G N -0.768 107.502 108.800 -0.883 0.000 3.211 311 G HA2 0.709 4.669 3.960 -0.000 0.000 0.167 311 G HA3 0.709 4.669 3.960 -0.000 0.000 0.167 311 G C -0.408 174.450 174.900 -0.069 0.000 1.212 311 G CA 0.081 44.907 45.100 -0.455 0.000 0.928 311 G HN 0.286 nan 8.290 nan 0.000 0.607 312 A N -1.092 121.798 122.820 0.116 0.000 2.327 312 A HA 0.528 4.848 4.320 -0.000 0.000 0.255 312 A C 1.849 179.526 177.584 0.155 0.000 1.099 312 A CA 0.742 52.831 52.037 0.087 0.000 0.801 312 A CB -0.044 18.995 19.000 0.065 0.000 1.062 312 A HN 1.461 nan 8.150 nan 0.000 0.496 313 G N -0.439 108.398 108.800 0.061 0.000 2.450 313 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 313 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 313 G C 1.144 176.100 174.900 0.093 0.000 1.130 313 G CA 1.240 46.382 45.100 0.069 0.000 0.760 313 G HN 0.560 nan 8.290 nan 0.000 0.557 314 I N 1.873 122.487 120.570 0.074 0.000 2.163 314 I HA -0.123 4.047 4.170 -0.000 0.000 0.243 314 I C 3.010 179.161 176.117 0.056 0.000 1.085 314 I CA 1.488 62.829 61.300 0.068 0.000 1.347 314 I CB -1.594 36.449 38.000 0.072 0.000 1.044 314 I HN 0.234 nan 8.210 nan 0.000 0.408 315 G N 0.576 109.396 108.800 0.034 0.000 2.422 315 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 315 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 315 G C 1.767 176.615 174.900 -0.087 0.000 1.140 315 G CA 0.393 45.310 45.100 -0.305 0.000 0.775 315 G HN 0.297 nan 8.290 nan 0.000 0.545 316 L N 0.189 121.546 121.223 0.223 0.000 2.027 316 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 316 L C 2.868 179.824 176.870 0.143 0.000 1.074 316 L CA 1.613 56.588 54.840 0.224 0.000 0.745 316 L CB -0.447 41.734 42.059 0.204 0.000 0.898 316 L HN 0.137 nan 8.230 nan 0.000 0.433 317 Q N -0.348 119.537 119.800 0.142 0.000 2.096 317 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 317 Q C 2.277 178.473 176.000 0.326 0.000 0.982 317 Q CA 1.733 57.654 55.803 0.196 0.000 0.850 317 Q CB -0.623 28.240 28.738 0.208 0.000 0.901 317 Q HN 0.662 nan 8.270 nan 0.000 0.422 318 A N 0.854 123.819 122.820 0.242 0.000 1.908 318 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 318 A C 2.434 180.181 177.584 0.272 0.000 1.181 318 A CA 1.960 54.168 52.037 0.284 0.000 0.627 318 A CB -0.494 18.474 19.000 -0.053 0.000 0.818 318 A HN 0.352 nan 8.150 nan 0.000 0.445 319 S N -0.019 115.753 115.700 0.120 0.000 2.406 319 S HA 0.070 4.540 4.470 -0.000 0.000 0.228 319 S C 2.234 176.944 174.600 0.183 0.000 1.020 319 S CA 0.929 59.209 58.200 0.132 0.000 0.965 319 S CB -0.407 62.848 63.200 0.091 0.000 0.798 319 S HN 0.793 nan 8.310 nan 0.000 0.488 320 A N 1.872 124.781 122.820 0.147 0.000 1.933 320 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 320 A C 1.913 179.536 177.584 0.065 0.000 1.175 320 A CA 1.312 53.383 52.037 0.058 0.000 0.628 320 A CB -0.782 18.203 19.000 -0.026 0.000 0.814 320 A HN 0.522 nan 8.150 nan 0.000 0.444 321 H N -1.373 117.847 119.070 0.250 0.000 2.357 321 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 321 H C 2.104 177.627 175.328 0.325 0.000 1.082 321 H CA 1.743 57.977 56.048 0.311 0.000 1.342 321 H CB -0.282 29.667 29.762 0.312 0.000 1.389 321 H HN 0.430 nan 8.280 nan 0.000 0.511 322 L N 0.967 122.505 121.223 0.525 0.000 2.056 322 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 322 L C 2.349 179.434 176.870 0.359 0.000 1.078 322 L CA 1.089 56.203 54.840 0.457 0.000 0.749 322 L CB -0.788 41.558 42.059 0.479 0.000 0.901 322 L HN 0.100 nan 8.230 nan 0.000 0.433 323 L N 0.018 121.437 121.223 0.327 0.000 2.046 323 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 323 L C 2.520 179.501 176.870 0.185 0.000 1.077 323 L CA 2.085 57.092 54.840 0.278 0.000 0.747 323 L CB -1.238 40.895 42.059 0.122 0.000 0.896 323 L HN 0.284 nan 8.230 nan 0.000 0.432 324 A N -0.493 122.408 122.820 0.134 0.000 1.940 324 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 324 A C 2.406 180.071 177.584 0.134 0.000 1.176 324 A CA 1.889 53.961 52.037 0.058 0.000 0.631 324 A CB -1.115 17.870 19.000 -0.025 0.000 0.814 324 A HN 0.582 nan 8.150 nan 0.000 0.446 325 A N -1.244 121.707 122.820 0.219 0.000 2.014 325 A HA 0.301 4.621 4.320 -0.000 0.000 0.218 325 A C 0.853 178.513 177.584 0.127 0.000 1.163 325 A CA 1.388 53.542 52.037 0.195 0.000 0.652 325 A CB -0.065 19.051 19.000 0.194 0.000 0.808 325 A HN 0.593 nan 8.150 nan 0.000 0.449 326 V N 1.145 121.146 119.914 0.145 0.000 2.464 326 V HA 0.177 4.297 4.120 -0.000 0.000 0.255 326 V C -1.941 174.268 176.094 0.191 0.000 0.946 326 V CA -0.589 61.779 62.300 0.113 0.000 0.988 326 V CB 1.244 33.072 31.823 0.009 0.000 1.210 326 V HN 0.319 nan 8.190 nan 0.000 0.523 327 P HA 0.081 nan 4.420 nan 0.000 0.226 327 P C 0.814 178.176 177.300 0.103 0.000 1.153 327 P CA 1.556 64.719 63.100 0.105 0.000 0.777 327 P CB 0.595 32.327 31.700 0.052 0.000 0.794 328 G N -0.822 108.039 108.800 0.102 0.000 2.707 328 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 328 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 328 G C -0.263 174.670 174.900 0.054 0.000 1.315 328 G CA -0.450 44.701 45.100 0.085 0.000 0.832 328 G HN 0.183 nan 8.290 nan 0.000 0.573 329 L N 0.252 121.502 121.223 0.044 0.000 3.277 329 L HA 0.509 4.849 4.340 -0.000 0.000 0.178 329 L C 3.103 179.992 176.870 0.031 0.000 1.384 329 L CA 0.619 55.479 54.840 0.032 0.000 1.254 329 L CB -1.002 41.072 42.059 0.026 0.000 1.593 329 L HN 0.962 nan 8.230 nan 0.000 0.748 330 A N -0.056 122.781 122.820 0.030 0.000 1.972 330 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 330 A C 1.207 178.811 177.584 0.035 0.000 1.169 330 A CA 1.590 53.644 52.037 0.029 0.000 0.635 330 A CB -0.568 18.448 19.000 0.027 0.000 0.810 330 A HN 0.497 nan 8.150 nan 0.000 0.446 331 S N -0.112 115.612 115.700 0.041 0.000 2.542 331 S HA 0.569 5.039 4.470 -0.000 0.000 0.245 331 S C -2.981 171.652 174.600 0.055 0.000 1.325 331 S CA -1.666 56.564 58.200 0.050 0.000 1.176 331 S CB 0.905 64.138 63.200 0.055 0.000 1.045 331 S HN 0.041 nan 8.310 nan 0.000 0.481 332 P HA 0.237 nan 4.420 nan 0.000 0.267 332 P C 0.587 177.924 177.300 0.061 0.000 1.195 332 P CA 0.327 63.458 63.100 0.053 0.000 0.773 332 P CB 0.299 32.024 31.700 0.041 0.000 0.837 333 G N 1.459 110.293 108.800 0.056 0.000 2.437 333 G HA2 0.646 4.606 3.960 -0.000 0.000 0.319 333 G HA3 0.646 4.606 3.960 -0.000 0.000 0.319 333 G C -1.298 173.636 174.900 0.057 0.000 1.158 333 G CA -0.615 44.503 45.100 0.030 0.000 0.899 333 G HN 0.378 nan 8.290 nan 0.000 0.502 334 L N 0.642 121.931 121.223 0.109 0.000 2.370 334 L HA 0.483 4.823 4.340 -0.000 0.000 0.266 334 L C -0.407 176.610 176.870 0.245 0.000 1.002 334 L CA -0.877 54.091 54.840 0.213 0.000 0.818 334 L CB 2.457 44.729 42.059 0.356 0.000 1.325 334 L HN 0.267 nan 8.230 nan 0.000 0.418 335 L N 1.822 123.137 121.223 0.155 0.000 2.264 335 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 335 L C 0.318 177.105 176.870 -0.137 0.000 1.044 335 L CA -0.273 54.601 54.840 0.055 0.000 0.807 335 L CB 1.323 43.398 42.059 0.027 0.000 1.192 335 L HN 0.753 nan 8.230 nan 0.000 0.425 336 G N 4.826 113.435 108.800 -0.317 0.000 2.349 336 G HA2 0.439 4.399 3.960 -0.000 0.000 0.281 336 G HA3 0.439 4.399 3.960 -0.000 0.000 0.281 336 G C -0.691 173.985 174.900 -0.374 0.000 1.182 336 G CA -0.281 44.238 45.100 -0.968 0.000 0.899 336 G HN 0.431 nan 8.290 nan 0.000 0.455 337 V N 3.279 122.972 119.914 -0.368 0.000 2.417 337 V HA 0.149 4.269 4.120 -0.000 0.000 0.291 337 V C -0.011 175.975 176.094 -0.180 0.000 1.024 337 V CA -0.996 61.218 62.300 -0.143 0.000 0.861 337 V CB 1.653 33.488 31.823 0.019 0.000 0.985 337 V HN 0.826 nan 8.190 nan 0.000 0.436 338 D N 3.912 124.244 120.400 -0.113 0.000 2.520 338 D HA 0.113 4.753 4.640 -0.000 0.000 0.243 338 D C 1.021 177.253 176.300 -0.114 0.000 1.160 338 D CA 0.732 54.671 54.000 -0.103 0.000 0.877 338 D CB 1.599 42.350 40.800 -0.081 0.000 1.150 338 D HN 0.665 nan 8.370 nan 0.000 0.494 339 A N 4.248 126.996 122.820 -0.119 0.000 2.067 339 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 339 A C 0.968 178.515 177.584 -0.062 0.000 1.156 339 A CA 0.293 52.254 52.037 -0.126 0.000 0.683 339 A CB -0.365 18.573 19.000 -0.104 0.000 0.808 339 A HN 0.644 nan 8.150 nan 0.000 0.455 340 N N 0.976 119.652 118.700 -0.039 0.000 2.482 340 N HA 0.327 5.067 4.740 -0.000 0.000 0.260 340 N C -0.931 174.569 175.510 -0.017 0.000 1.236 340 N CA -0.073 52.967 53.050 -0.016 0.000 0.938 340 N CB 0.325 38.809 38.487 -0.004 0.000 1.128 340 N HN 0.190 nan 8.380 nan 0.000 0.448 341 D N 0.336 120.737 120.400 0.002 0.000 2.424 341 D HA 0.167 4.807 4.640 -0.000 0.000 0.244 341 D C -0.257 176.030 176.300 -0.022 0.000 1.134 341 D CA 0.664 54.662 54.000 -0.004 0.000 0.881 341 D CB 0.174 40.990 40.800 0.027 0.000 1.191 341 D HN 0.451 nan 8.370 nan 0.000 0.445 342 N N 2.014 120.649 118.700 -0.109 0.000 3.112 342 N HA 0.085 4.825 4.740 -0.000 0.000 0.231 342 N C -2.422 172.898 175.510 -0.316 0.000 1.385 342 N CA -1.048 51.872 53.050 -0.217 0.000 0.790 342 N CB 1.091 39.510 38.487 -0.113 0.000 1.563 342 N HN 0.023 nan 8.380 nan 0.000 0.613 343 P HA -0.140 nan 4.420 nan 0.000 0.218 343 P C 1.172 178.285 177.300 -0.312 0.000 1.146 343 P CA 0.900 63.745 63.100 -0.426 0.000 0.813 343 P CB 0.298 31.642 31.700 -0.594 0.000 0.778 344 L N -1.386 119.646 121.223 -0.318 0.000 2.456 344 L HA -0.095 4.244 4.340 -0.000 0.000 0.224 344 L C 2.589 179.377 176.870 -0.137 0.000 1.148 344 L CA 0.959 55.676 54.840 -0.206 0.000 0.825 344 L CB -0.377 41.601 42.059 -0.134 0.000 0.937 344 L HN -0.003 nan 8.230 nan 0.000 0.450 345 R N -0.939 119.488 120.500 -0.123 0.000 2.195 345 R HA 0.021 4.361 4.340 -0.000 0.000 0.197 345 R C 2.143 178.407 176.300 -0.061 0.000 0.990 345 R CA 0.761 56.824 56.100 -0.061 0.000 1.048 345 R CB 0.264 30.538 30.300 -0.043 0.000 0.997 345 R HN 0.153 nan 8.270 nan 0.000 0.502 346 S N 1.462 117.107 115.700 -0.091 0.000 2.371 346 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 346 S C 1.824 176.373 174.600 -0.084 0.000 1.029 346 S CA 0.844 58.999 58.200 -0.075 0.000 0.978 346 S CB -0.060 63.089 63.200 -0.085 0.000 0.833 346 S HN 0.265 nan 8.310 nan 0.000 0.466 347 L N 0.524 121.676 121.223 -0.119 0.000 2.478 347 L HA 0.173 4.513 4.340 -0.000 0.000 0.223 347 L C 1.167 177.958 176.870 -0.131 0.000 1.140 347 L CA 0.688 55.452 54.840 -0.127 0.000 0.842 347 L CB -0.259 41.703 42.059 -0.162 0.000 0.953 347 L HN 0.232 nan 8.230 nan 0.000 0.452 348 L N -1.875 119.280 121.223 -0.114 0.000 3.069 348 L HA 0.195 4.535 4.340 -0.000 0.000 0.271 348 L C 0.769 177.610 176.870 -0.048 0.000 1.201 348 L CA 0.113 54.890 54.840 -0.106 0.000 1.015 348 L CB 0.812 42.797 42.059 -0.124 0.000 1.371 348 L HN -0.044 nan 8.230 nan 0.000 0.574 349 S N 0.764 116.446 115.700 -0.031 0.000 2.128 349 S HA 0.292 4.762 4.470 -0.000 0.000 0.157 349 S C -1.520 173.079 174.600 -0.002 0.000 1.650 349 S CA -1.191 57.010 58.200 0.003 0.000 1.269 349 S CB 0.450 63.662 63.200 0.020 0.000 1.227 349 S HN -0.019 nan 8.310 nan 0.000 0.405 350 P HA -0.147 nan 4.420 nan 0.000 0.217 350 P C 1.341 178.640 177.300 -0.002 0.000 1.148 350 P CA 1.313 64.409 63.100 -0.006 0.000 0.834 350 P CB 0.039 31.739 31.700 -0.001 0.000 0.783 351 A N -0.140 122.684 122.820 0.006 0.000 2.070 351 A HA -0.093 4.226 4.320 -0.000 0.000 0.220 351 A C 2.360 179.930 177.584 -0.022 0.000 1.159 351 A CA 0.892 52.923 52.037 -0.010 0.000 0.656 351 A CB -1.502 17.485 19.000 -0.021 0.000 0.800 351 A HN 0.162 nan 8.150 nan 0.000 0.453 352 L N -0.988 120.228 121.223 -0.013 0.000 2.362 352 L HA -0.155 4.185 4.340 -0.000 0.000 0.219 352 L C 2.790 179.640 176.870 -0.032 0.000 1.134 352 L CA 0.701 55.529 54.840 -0.019 0.000 0.807 352 L CB -0.303 41.762 42.059 0.010 0.000 0.927 352 L HN 0.464 nan 8.230 nan 0.000 0.447 353 A N -0.515 122.290 122.820 -0.025 0.000 2.168 353 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 353 A C 2.161 179.726 177.584 -0.031 0.000 1.152 353 A CA 1.534 53.555 52.037 -0.026 0.000 0.716 353 A CB -0.568 18.419 19.000 -0.022 0.000 0.794 353 A HN 0.482 nan 8.150 nan 0.000 0.465 354 T N -2.671 111.862 114.554 -0.035 0.000 3.107 354 T HA 0.237 4.586 4.350 -0.000 0.000 0.249 354 T C 0.532 175.216 174.700 -0.026 0.000 1.096 354 T CA -0.239 61.843 62.100 -0.030 0.000 1.012 354 T CB -0.575 68.275 68.868 -0.030 0.000 0.977 354 T HN 0.167 nan 8.240 nan 0.000 0.527 355 L N 3.629 124.813 121.223 -0.066 0.000 2.737 355 L HA 0.205 4.545 4.340 -0.000 0.000 0.275 355 L C -0.543 176.307 176.870 -0.033 0.000 1.179 355 L CA 0.575 55.342 54.840 -0.123 0.000 0.970 355 L CB -1.135 40.770 42.059 -0.256 0.000 1.268 355 L HN 0.551 nan 8.230 nan 0.000 0.485 356 H N 5.035 124.024 119.070 -0.135 0.000 3.096 356 H HA 0.265 4.820 4.556 -0.000 0.000 0.335 356 H C -0.328 174.947 175.328 -0.088 0.000 0.990 356 H CA -0.120 55.869 56.048 -0.098 0.000 1.393 356 H CB 0.574 30.294 29.762 -0.070 0.000 1.742 356 H HN 0.717 nan 8.280 nan 0.000 0.501 357 E N 4.122 124.017 120.200 -0.508 0.000 2.340 357 E HA -0.188 4.162 4.350 -0.000 0.000 0.240 357 E C 0.440 176.894 176.600 -0.243 0.000 1.154 357 E CA 1.232 57.371 56.400 -0.435 0.000 0.717 357 E CB -1.600 27.705 29.700 -0.658 0.000 1.250 357 E HN 1.495 nan 8.360 nan 0.000 0.386 358 G N 0.642 109.320 108.800 -0.203 0.000 2.153 358 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.252 358 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.252 358 G C 0.111 174.926 174.900 -0.141 0.000 0.994 358 G CA 1.173 46.176 45.100 -0.162 0.000 0.698 358 G HN 0.818 nan 8.290 nan 0.000 0.521 359 R N -1.010 119.398 120.500 -0.153 0.000 2.692 359 R HA 0.755 5.095 4.340 -0.000 0.000 0.269 359 R C -0.283 175.958 176.300 -0.100 0.000 1.030 359 R CA -0.781 55.253 56.100 -0.110 0.000 0.882 359 R CB 1.119 31.369 30.300 -0.083 0.000 1.250 359 R HN 0.744 nan 8.270 nan 0.000 0.465 360 I N -1.461 119.056 120.570 -0.089 0.000 3.067 360 I HA 0.670 4.840 4.170 -0.000 0.000 0.312 360 I C -0.908 175.156 176.117 -0.088 0.000 1.073 360 I CA -1.066 60.186 61.300 -0.080 0.000 1.016 360 I CB 2.774 40.727 38.000 -0.080 0.000 1.227 360 I HN 0.553 nan 8.210 nan 0.000 0.456 361 T N 3.434 117.941 114.554 -0.079 0.000 2.812 361 T HA 0.475 4.824 4.350 -0.000 0.000 0.282 361 T C 0.963 175.610 174.700 -0.088 0.000 0.990 361 T CA -0.559 61.481 62.100 -0.099 0.000 0.960 361 T CB 1.823 70.651 68.868 -0.066 0.000 0.948 361 T HN 0.516 nan 8.240 nan 0.000 0.438 362 L N 1.987 123.126 121.223 -0.140 0.000 2.270 362 L HA 0.283 4.623 4.340 -0.000 0.000 0.210 362 L C 1.625 178.564 176.870 0.115 0.000 1.104 362 L CA 0.403 55.203 54.840 -0.067 0.000 0.804 362 L CB -0.929 41.008 42.059 -0.203 0.000 0.937 362 L HN 1.010 nan 8.230 nan 0.000 0.450 363 G N -0.020 108.851 108.800 0.119 0.000 2.741 363 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.222 363 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.222 363 G C 0.403 175.546 174.900 0.405 0.000 1.364 363 G CA -0.375 44.846 45.100 0.202 0.000 0.866 363 G HN 0.319 nan 8.290 nan 0.000 0.555 364 G N -0.347 108.617 108.800 0.273 0.000 3.453 364 G HA2 0.687 4.647 3.960 -0.000 0.000 0.263 364 G HA3 0.687 4.647 3.960 -0.000 0.000 0.263 364 G C 0.762 175.727 174.900 0.108 0.000 1.060 364 G CA 1.291 46.529 45.100 0.229 0.000 0.793 364 G HN 1.973 nan 8.290 nan 0.000 0.532 365 A N 1.107 123.996 122.820 0.115 0.000 2.498 365 A HA 0.541 4.860 4.320 -0.000 0.000 0.239 365 A C -2.225 175.364 177.584 0.009 0.000 1.068 365 A CA -0.717 51.352 52.037 0.054 0.000 0.766 365 A CB 0.227 19.262 19.000 0.059 0.000 1.003 365 A HN 0.157 nan 8.150 nan 0.000 0.497 366 P HA 0.366 nan 4.420 nan 0.000 0.268 366 P C 1.025 178.248 177.300 -0.128 0.000 1.205 366 P CA 1.815 64.856 63.100 -0.099 0.000 0.771 366 P CB 0.714 32.364 31.700 -0.084 0.000 0.858 367 G N 1.857 110.519 108.800 -0.229 0.000 2.509 367 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.259 367 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.259 367 G C 0.764 175.474 174.900 -0.317 0.000 1.169 367 G CA 0.050 44.980 45.100 -0.283 0.000 0.953 367 G HN 0.448 nan 8.290 nan 0.000 0.563 368 L N 1.758 122.875 121.223 -0.177 0.000 2.201 368 L HA 0.302 4.642 4.340 -0.000 0.000 0.212 368 L C 2.413 179.351 176.870 0.113 0.000 1.105 368 L CA 1.501 56.302 54.840 -0.066 0.000 0.775 368 L CB -0.599 41.489 42.059 0.050 0.000 0.913 368 L HN 2.243 nan 8.230 nan 0.000 0.440 369 G N 0.353 109.185 108.800 0.053 0.000 2.165 369 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.226 369 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.226 369 G C -0.289 174.640 174.900 0.048 0.000 1.035 369 G CA 0.147 45.298 45.100 0.084 0.000 0.744 369 G HN 0.275 nan 8.290 nan 0.000 0.501 370 V N -0.835 119.083 119.914 0.006 0.000 2.915 370 V HA 0.717 4.837 4.120 -0.000 0.000 0.282 370 V C -0.787 175.227 176.094 -0.134 0.000 1.445 370 V CA 0.289 62.556 62.300 -0.055 0.000 0.953 370 V CB 2.109 33.903 31.823 -0.048 0.000 1.140 370 V HN 0.710 nan 8.190 nan 0.000 0.440 371 T N 8.721 123.149 114.554 -0.210 0.000 2.833 371 T HA 0.534 4.884 4.350 -0.000 0.000 0.297 371 T C -2.704 171.676 174.700 -0.534 0.000 1.015 371 T CA -0.825 61.041 62.100 -0.390 0.000 0.963 371 T CB 1.536 70.295 68.868 -0.181 0.000 0.955 371 T HN 0.802 nan 8.240 nan 0.000 0.449 372 P HA 0.098 nan 4.420 nan 0.000 0.266 372 P C -0.716 176.259 177.300 -0.540 0.000 1.195 372 P CA -0.140 62.521 63.100 -0.731 0.000 0.768 372 P CB 0.788 31.918 31.700 -0.950 0.000 0.838 373 D N 3.429 123.619 120.400 -0.351 0.000 2.485 373 D HA 0.105 4.745 4.640 -0.000 0.000 0.221 373 D C 1.414 177.597 176.300 -0.195 0.000 1.112 373 D CA -0.382 53.488 54.000 -0.217 0.000 0.911 373 D CB 0.323 41.028 40.800 -0.157 0.000 1.019 373 D HN 0.220 nan 8.370 nan 0.000 0.516 374 L N 2.664 123.802 121.223 -0.143 0.000 2.013 374 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 374 L C 2.546 179.452 176.870 0.060 0.000 1.073 374 L CA 1.652 56.489 54.840 -0.005 0.000 0.753 374 L CB -0.512 41.592 42.059 0.074 0.000 0.890 374 L HN 0.387 nan 8.230 nan 0.000 0.432 375 A N 0.064 122.903 122.820 0.032 0.000 1.883 375 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 375 A C 2.504 180.098 177.584 0.017 0.000 1.186 375 A CA 1.913 53.976 52.037 0.043 0.000 0.624 375 A CB -0.786 18.229 19.000 0.024 0.000 0.822 375 A HN 0.431 nan 8.150 nan 0.000 0.444 376 A N -0.863 121.936 122.820 -0.035 0.000 2.067 376 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 376 A C 2.096 179.630 177.584 -0.082 0.000 1.158 376 A CA 1.357 53.361 52.037 -0.056 0.000 0.661 376 A CB -0.439 18.510 19.000 -0.085 0.000 0.801 376 A HN 0.485 nan 8.150 nan 0.000 0.452 377 L N -0.735 120.408 121.223 -0.133 0.000 2.168 377 L HA -0.084 4.256 4.340 -0.000 0.000 0.203 377 L C 2.757 179.628 176.870 0.003 0.000 1.078 377 L CA 1.179 55.870 54.840 -0.249 0.000 0.780 377 L CB -0.412 41.184 42.059 -0.772 0.000 0.939 377 L HN 0.508 nan 8.230 nan 0.000 0.451 378 R N 0.708 121.341 120.500 0.221 0.000 2.148 378 R HA -0.040 4.300 4.340 -0.000 0.000 0.227 378 R C 2.146 178.541 176.300 0.160 0.000 1.103 378 R CA 1.081 57.366 56.100 0.308 0.000 0.983 378 R CB -0.632 29.836 30.300 0.280 0.000 0.874 378 R HN 0.210 nan 8.270 nan 0.000 0.451 379 A N 2.118 124.995 122.820 0.096 0.000 1.855 379 A HA 0.042 4.362 4.320 -0.000 0.000 0.215 379 A C 2.494 180.125 177.584 0.077 0.000 1.191 379 A CA 1.387 53.464 52.037 0.067 0.000 0.613 379 A CB -0.799 18.223 19.000 0.036 0.000 0.829 379 A HN 0.481 nan 8.150 nan 0.000 0.442 380 A N -1.728 121.133 122.820 0.067 0.000 2.225 380 A HA 0.116 4.436 4.320 -0.000 0.000 0.215 380 A C 1.086 178.801 177.584 0.218 0.000 1.164 380 A CA 1.024 53.121 52.037 0.100 0.000 0.710 380 A CB -0.963 18.045 19.000 0.013 0.000 0.780 380 A HN 0.539 nan 8.150 nan 0.000 0.473 381 C N 0.000 119.413 119.300 0.189 0.000 2.653 381 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 381 C CA 0.000 59.138 59.018 0.200 0.000 1.963 381 C CB 0.000 27.889 27.740 0.248 0.000 2.134 381 C HN 0.000 nan 8.230 nan 0.000 0.568