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_D 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 0.000 177.609 177.584 0.041 0.000 1.274 8 A CA 0.000 52.054 52.037 0.028 0.000 0.836 8 A CB 0.000 19.012 19.000 0.019 0.000 0.831 9 S N 0.977 116.696 115.700 0.033 0.000 2.600 9 S HA 0.714 5.184 4.470 -0.000 0.000 0.265 9 S C 0.050 174.684 174.600 0.056 0.000 1.325 9 S CA -0.260 57.969 58.200 0.048 0.000 1.002 9 S CB 0.335 63.548 63.200 0.021 0.000 0.921 9 S HN 0.717 nan 8.310 nan 0.000 0.554 10 I N 1.366 121.993 120.570 0.096 0.000 2.354 10 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 10 I C -0.254 175.938 176.117 0.126 0.000 0.989 10 I CA -0.403 60.955 61.300 0.097 0.000 1.188 10 I CB 1.885 39.948 38.000 0.105 0.000 1.342 10 I HN 0.646 nan 8.210 nan 0.000 0.457 11 T N 6.903 121.500 114.554 0.072 0.000 3.154 11 T HA 0.299 4.649 4.350 -0.000 0.000 0.381 11 T C -2.482 172.253 174.700 0.058 0.000 1.368 11 T CA -1.332 60.805 62.100 0.061 0.000 1.155 11 T CB 0.708 69.584 68.868 0.013 0.000 1.120 11 T HN 0.227 nan 8.240 nan 0.000 0.570 12 P HA 0.241 nan 4.420 nan 0.000 0.264 12 P C 0.109 177.427 177.300 0.030 0.000 1.193 12 P CA 0.064 63.194 63.100 0.051 0.000 0.763 12 P CB 0.830 32.575 31.700 0.075 0.000 0.810 13 A N 4.151 126.972 122.820 0.001 0.000 2.026 13 A HA 0.193 4.513 4.320 -0.000 0.000 0.198 13 A C 0.786 178.362 177.584 -0.014 0.000 1.390 13 A CA 0.527 52.562 52.037 -0.004 0.000 0.915 13 A CB 0.208 19.202 19.000 -0.009 0.000 0.974 13 A HN 0.469 nan 8.150 nan 0.000 0.477 14 R N -0.078 120.404 120.500 -0.031 0.000 2.514 14 R HA 0.577 4.917 4.340 -0.000 0.000 0.296 14 R C -2.319 173.938 176.300 -0.072 0.000 1.012 14 R CA -0.177 55.898 56.100 -0.043 0.000 0.897 14 R CB 1.990 32.267 30.300 -0.039 0.000 1.184 14 R HN 0.034 nan 8.270 nan 0.000 0.440 15 V N 5.085 124.955 119.914 -0.073 0.000 2.531 15 V HA 0.627 4.747 4.120 -0.000 0.000 0.301 15 V C -0.348 175.676 176.094 -0.116 0.000 1.034 15 V CA -0.749 61.490 62.300 -0.101 0.000 0.865 15 V CB 1.829 33.606 31.823 -0.077 0.000 0.995 15 V HN 0.779 nan 8.190 nan 0.000 0.424 16 R N 2.493 122.896 120.500 -0.163 0.000 2.808 16 R HA 0.893 5.233 4.340 -0.000 0.000 0.272 16 R C -1.020 175.101 176.300 -0.297 0.000 0.995 16 R CA -0.782 55.184 56.100 -0.225 0.000 0.917 16 R CB 2.598 32.761 30.300 -0.228 0.000 1.217 16 R HN 0.767 nan 8.270 nan 0.000 0.471 17 A N 1.362 123.956 122.820 -0.377 0.000 2.355 17 A HA 0.654 4.973 4.320 -0.000 0.000 0.317 17 A C -1.432 175.878 177.584 -0.456 0.000 1.094 17 A CA -0.665 51.205 52.037 -0.279 0.000 0.764 17 A CB 0.877 19.799 19.000 -0.130 0.000 1.230 17 A HN 0.812 nan 8.150 nan 0.000 0.448 18 H N 0.152 119.274 119.070 0.088 0.000 2.609 18 H HA 0.533 5.089 4.556 -0.000 0.000 0.344 18 H C -0.728 174.560 175.328 -0.067 0.000 1.040 18 H CA -0.632 55.420 56.048 0.008 0.000 1.216 18 H CB 1.853 31.720 29.762 0.175 0.000 1.529 18 H HN 0.402 nan 8.280 nan 0.000 0.519 19 V N 4.326 124.137 119.914 -0.171 0.000 2.427 19 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 19 V C -0.582 175.249 176.094 -0.439 0.000 1.034 19 V CA -0.456 61.748 62.300 -0.160 0.000 0.893 19 V CB 0.470 32.230 31.823 -0.105 0.000 0.982 19 V HN 0.565 nan 8.190 nan 0.000 0.452 20 F N 3.430 123.417 119.950 0.061 0.000 2.576 20 F HA 0.727 5.254 4.527 -0.000 0.000 0.313 20 F C 0.313 176.136 175.800 0.038 0.000 1.078 20 F CA -0.820 57.212 58.000 0.052 0.000 0.921 20 F CB 2.272 41.304 39.000 0.053 0.000 1.232 20 F HN 0.251 nan 8.300 nan 0.000 0.459 21 R N 2.339 122.973 120.500 0.223 0.000 2.539 21 R HA 0.202 4.542 4.340 -0.000 0.000 0.295 21 R C -1.971 174.425 176.300 0.161 0.000 1.138 21 R CA -0.836 55.346 56.100 0.137 0.000 0.936 21 R CB 1.985 32.313 30.300 0.046 0.000 1.182 21 R HN 0.673 nan 8.270 nan 0.000 0.459 22 Y N 5.481 125.808 120.300 0.045 0.000 2.404 22 Y HA 0.318 4.868 4.550 -0.000 0.000 0.344 22 Y C -2.241 173.665 175.900 0.011 0.000 0.970 22 Y CA -2.328 55.788 58.100 0.027 0.000 1.180 22 Y CB 1.144 39.610 38.460 0.010 0.000 1.138 22 Y HN 0.389 nan 8.280 nan 0.000 0.510 23 P HA 0.033 nan 4.420 nan 0.000 0.276 23 P C -0.223 176.796 177.300 -0.468 0.000 1.235 23 P CA 0.091 62.989 63.100 -0.338 0.000 0.772 23 P CB 2.109 33.665 31.700 -0.240 0.000 0.871 37 D N -0.157 120.267 120.400 0.040 0.000 2.664 37 D HA 0.507 5.147 4.640 -0.000 0.000 0.292 37 D C -0.811 175.494 176.300 0.008 0.000 1.214 37 D CA -1.171 52.835 54.000 0.010 0.000 0.932 37 D CB 1.273 42.061 40.800 -0.021 0.000 1.420 37 D HN 0.167 nan 8.370 nan 0.000 0.471 38 R N 0.800 121.336 120.500 0.061 0.000 2.215 38 R HA 0.486 4.826 4.340 -0.000 0.000 0.336 38 R C -2.348 173.965 176.300 0.022 0.000 0.996 38 R CA -1.855 54.259 56.100 0.023 0.000 0.847 38 R CB 0.824 31.171 30.300 0.078 0.000 1.127 38 R HN 0.474 nan 8.270 nan 0.000 0.465 39 P HA 0.523 nan 4.420 nan 0.000 0.281 39 P C -1.177 176.119 177.300 -0.007 0.000 1.264 39 P CA -0.610 62.475 63.100 -0.025 0.000 0.824 39 P CB 1.764 33.408 31.700 -0.093 0.000 1.092 40 A N 0.802 123.667 122.820 0.075 0.000 2.566 40 A HA 0.576 4.896 4.320 -0.000 0.000 0.297 40 A C -1.569 176.122 177.584 0.178 0.000 1.059 40 A CA -0.539 51.572 52.037 0.124 0.000 0.691 40 A CB 1.350 20.451 19.000 0.169 0.000 1.282 40 A HN 0.225 nan 8.150 nan 0.000 0.401 41 V N 3.116 123.131 119.914 0.169 0.000 2.380 41 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 41 V C -0.532 175.697 176.094 0.224 0.000 1.015 41 V CA -0.181 62.223 62.300 0.173 0.000 0.834 41 V CB 1.005 32.892 31.823 0.106 0.000 1.009 41 V HN 0.730 nan 8.190 nan 0.000 0.428 42 L N 5.792 127.212 121.223 0.328 0.000 2.309 42 L HA 0.796 5.136 4.340 -0.000 0.000 0.282 42 L C -0.192 176.917 176.870 0.398 0.000 1.036 42 L CA -0.900 54.178 54.840 0.395 0.000 0.806 42 L CB 1.886 44.248 42.059 0.505 0.000 1.220 42 L HN 0.549 nan 8.230 nan 0.000 0.429 43 V N 0.153 120.249 119.914 0.305 0.000 2.769 43 V HA 0.714 4.834 4.120 -0.000 0.000 0.312 43 V C -0.678 175.377 176.094 -0.065 0.000 1.061 43 V CA -0.642 61.723 62.300 0.109 0.000 0.931 43 V CB 1.845 33.676 31.823 0.014 0.000 1.010 43 V HN 0.920 nan 8.190 nan 0.000 0.433 44 E N 2.623 122.610 120.200 -0.356 0.000 2.234 44 E HA 0.768 5.118 4.350 -0.000 0.000 0.266 44 E C -1.681 174.638 176.600 -0.468 0.000 0.877 44 E CA -0.981 54.919 56.400 -0.834 0.000 0.758 44 E CB 2.454 31.223 29.700 -1.552 0.000 1.170 44 E HN 0.519 nan 8.360 nan 0.000 0.415 45 V N 2.477 122.144 119.914 -0.413 0.000 2.459 45 V HA 0.339 4.459 4.120 -0.000 0.000 0.295 45 V C -0.428 175.532 176.094 -0.223 0.000 1.029 45 V CA -0.690 61.464 62.300 -0.244 0.000 0.874 45 V CB 1.404 33.123 31.823 -0.173 0.000 0.985 45 V HN 0.846 nan 8.190 nan 0.000 0.438 46 E N 3.534 123.642 120.200 -0.153 0.000 2.165 46 E HA 0.274 4.624 4.350 -0.000 0.000 0.266 46 E C -0.766 175.796 176.600 -0.063 0.000 0.889 46 E CA -0.581 55.753 56.400 -0.110 0.000 0.756 46 E CB 1.278 30.923 29.700 -0.091 0.000 1.131 46 E HN 0.787 nan 8.360 nan 0.000 0.411 47 D N 2.060 122.430 120.400 -0.051 0.000 2.360 47 D HA -0.032 4.608 4.640 -0.000 0.000 0.242 47 D C 0.983 177.272 176.300 -0.018 0.000 1.184 47 D CA 0.343 54.328 54.000 -0.025 0.000 0.930 47 D CB 1.271 42.057 40.800 -0.023 0.000 1.161 47 D HN 0.586 nan 8.370 nan 0.000 0.447 48 S N 1.061 116.755 115.700 -0.009 0.000 2.399 48 S HA -0.231 4.239 4.470 -0.000 0.000 0.231 48 S C 1.088 175.682 174.600 -0.009 0.000 1.022 48 S CA 1.272 59.467 58.200 -0.008 0.000 0.983 48 S CB -0.155 63.041 63.200 -0.006 0.000 0.803 48 S HN 0.627 nan 8.310 nan 0.000 0.480 49 D N 0.349 120.743 120.400 -0.009 0.000 2.336 49 D HA 0.303 4.943 4.640 -0.000 0.000 0.229 49 D C 1.397 177.691 176.300 -0.010 0.000 1.061 49 D CA 0.618 54.613 54.000 -0.008 0.000 0.875 49 D CB -0.433 40.362 40.800 -0.008 0.000 0.904 49 D HN 0.579 nan 8.370 nan 0.000 0.525 50 G N -0.448 108.345 108.800 -0.013 0.000 2.279 50 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.223 50 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.223 50 G C 0.622 175.512 174.900 -0.017 0.000 1.015 50 G CA 0.106 45.199 45.100 -0.012 0.000 0.621 50 G HN 0.838 nan 8.290 nan 0.000 0.506 51 A N -0.124 122.683 122.820 -0.022 0.000 2.507 51 A HA 0.599 4.919 4.320 -0.000 0.000 0.235 51 A C 0.387 177.942 177.584 -0.049 0.000 1.070 51 A CA 1.116 53.135 52.037 -0.031 0.000 0.768 51 A CB 0.677 19.654 19.000 -0.038 0.000 1.011 51 A HN 1.369 nan 8.150 nan 0.000 0.502 52 V N 0.702 120.587 119.914 -0.049 0.000 2.925 52 V HA 0.770 4.890 4.120 -0.000 0.000 0.311 52 V C 0.525 176.560 176.094 -0.099 0.000 1.104 52 V CA 0.005 62.246 62.300 -0.099 0.000 0.954 52 V CB 2.140 33.919 31.823 -0.074 0.000 1.022 52 V HN 1.382 nan 8.190 nan 0.000 0.427 53 G N 1.141 109.820 108.800 -0.202 0.000 2.563 53 G HA2 0.706 4.666 3.960 -0.000 0.000 0.302 53 G HA3 0.706 4.666 3.960 -0.000 0.000 0.302 53 G C -2.246 172.496 174.900 -0.263 0.000 1.301 53 G CA -0.540 44.479 45.100 -0.136 0.000 0.965 53 G HN 0.533 nan 8.290 nan 0.000 0.480 54 W N -0.439 120.840 121.300 -0.035 0.000 2.864 54 W HA 0.743 5.403 4.660 -0.000 0.000 0.343 54 W C 0.334 176.848 176.519 -0.009 0.000 1.109 54 W CA -0.245 57.098 57.345 -0.004 0.000 1.192 54 W CB 2.977 32.439 29.460 0.004 0.000 1.426 54 W HN 0.889 nan 8.180 nan 0.000 0.529 55 G N 0.519 109.481 108.800 0.269 0.000 2.649 55 G HA2 0.538 4.498 3.960 -0.000 0.000 0.290 55 G HA3 0.538 4.498 3.960 -0.000 0.000 0.290 55 G C -2.141 172.849 174.900 0.150 0.000 1.426 55 G CA -0.746 44.437 45.100 0.138 0.000 0.794 55 G HN 0.368 nan 8.290 nan 0.000 0.483 56 E N -0.756 119.481 120.200 0.063 0.000 2.288 56 E HA 0.610 4.960 4.350 -0.000 0.000 0.268 56 E C -1.302 175.342 176.600 0.073 0.000 0.885 56 E CA -0.703 55.749 56.400 0.087 0.000 0.767 56 E CB 2.654 32.390 29.700 0.060 0.000 1.220 56 E HN 0.242 nan 8.360 nan 0.000 0.427 57 V N 4.204 124.200 119.914 0.138 0.000 2.357 57 V HA 0.177 4.297 4.120 -0.000 0.000 0.284 57 V C -0.458 175.802 176.094 0.275 0.000 1.018 57 V CA -0.728 61.675 62.300 0.173 0.000 0.841 57 V CB 0.739 32.641 31.823 0.133 0.000 0.991 57 V HN 0.764 nan 8.190 nan 0.000 0.437 58 W N 6.754 128.158 121.300 0.174 0.000 2.391 58 W HA 0.214 4.874 4.660 -0.000 0.000 0.339 58 W C 0.755 177.378 176.519 0.172 0.000 1.252 58 W CA 0.584 58.079 57.345 0.249 0.000 1.304 58 W CB 0.586 30.203 29.460 0.261 0.000 1.179 58 W HN 0.816 nan 8.180 nan 0.000 0.567 59 C N 4.371 123.319 119.300 -0.587 0.000 3.809 59 C HA 0.236 4.696 4.460 -0.000 0.000 0.342 59 C C 0.905 175.399 174.990 -0.826 0.000 2.837 59 C CA -0.781 57.886 59.018 -0.584 0.000 1.561 59 C CB -1.110 26.530 27.740 -0.167 0.000 3.062 59 C HN 0.774 nan 8.230 nan 0.000 0.382 60 N N 1.172 119.055 118.700 -1.362 0.000 2.309 60 N HA 0.129 4.869 4.740 -0.000 0.000 0.182 60 N C -0.353 174.501 175.510 -1.095 0.000 1.018 60 N CA 1.324 53.772 53.050 -1.004 0.000 0.876 60 N CB 0.047 38.072 38.487 -0.771 0.000 0.972 60 N HN 0.694 nan 8.380 nan 0.000 0.434 61 F N -0.091 119.552 119.950 -0.511 0.000 2.601 61 F HA 0.430 4.957 4.527 -0.000 0.000 0.309 61 F C -1.950 173.858 175.800 0.012 0.000 1.089 61 F CA -2.040 55.899 58.000 -0.102 0.000 0.940 61 F CB 1.772 40.842 39.000 0.115 0.000 1.273 61 F HN -0.215 nan 8.300 nan 0.000 0.450 62 P HA 0.219 nan 4.420 nan 0.000 0.293 62 P C 0.235 177.536 177.300 0.002 0.000 1.298 62 P CA -0.143 63.072 63.100 0.192 0.000 0.757 62 P CB 0.671 32.457 31.700 0.145 0.000 1.262 63 A N -0.072 122.731 122.820 -0.027 0.000 2.015 63 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 63 A C 2.128 179.662 177.584 -0.084 0.000 1.163 63 A CA 1.831 53.799 52.037 -0.114 0.000 0.646 63 A CB -1.665 17.268 19.000 -0.112 0.000 0.806 63 A HN 0.720 nan 8.150 nan 0.000 0.448 64 C N -2.659 116.620 119.300 -0.035 0.000 2.791 64 C HA 0.509 4.969 4.460 -0.000 0.000 0.270 64 C C 2.206 177.203 174.990 0.012 0.000 1.257 64 C CA -0.182 58.825 59.018 -0.020 0.000 1.699 64 C CB -1.138 26.595 27.740 -0.013 0.000 1.904 64 C HN 0.487 nan 8.230 nan 0.000 0.603 65 G N 0.903 109.718 108.800 0.025 0.000 2.598 65 G HA2 0.225 4.185 3.960 -0.000 0.000 0.215 65 G HA3 0.225 4.185 3.960 -0.000 0.000 0.215 65 G C 1.725 176.670 174.900 0.076 0.000 1.131 65 G CA 0.865 46.016 45.100 0.084 0.000 0.785 65 G HN 0.727 nan 8.290 nan 0.000 0.539 66 A N 1.297 124.124 122.820 0.012 0.000 1.865 66 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 66 A C 2.190 179.790 177.584 0.026 0.000 1.191 66 A CA 2.070 54.111 52.037 0.005 0.000 0.623 66 A CB -0.346 18.641 19.000 -0.022 0.000 0.826 66 A HN 0.320 nan 8.150 nan 0.000 0.444 67 E N -0.991 119.227 120.200 0.030 0.000 2.085 67 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 67 E C 1.914 178.554 176.600 0.067 0.000 0.994 67 E CA 1.599 58.017 56.400 0.030 0.000 0.801 67 E CB -0.501 29.214 29.700 0.026 0.000 0.743 67 E HN 0.835 nan 8.360 nan 0.000 0.453 68 H N 0.619 119.693 119.070 0.007 0.000 2.321 68 H HA 0.030 4.586 4.556 -0.000 0.000 0.300 68 H C 1.867 177.212 175.328 0.028 0.000 1.087 68 H CA 1.905 57.964 56.048 0.018 0.000 1.319 68 H CB 0.087 29.867 29.762 0.030 0.000 1.379 68 H HN -0.035 nan 8.280 nan 0.000 0.501 69 R N -0.262 120.192 120.500 -0.076 0.000 2.091 69 R HA -0.063 4.277 4.340 -0.000 0.000 0.238 69 R C 2.574 178.821 176.300 -0.088 0.000 1.136 69 R CA 1.233 57.271 56.100 -0.103 0.000 0.959 69 R CB -0.346 29.973 30.300 0.030 0.000 0.856 69 R HN 0.414 nan 8.270 nan 0.000 0.437 70 A N 0.826 123.617 122.820 -0.048 0.000 1.969 70 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 70 A C 1.909 179.449 177.584 -0.074 0.000 1.169 70 A CA 1.042 53.048 52.037 -0.052 0.000 0.635 70 A CB -0.196 18.779 19.000 -0.043 0.000 0.810 70 A HN 0.072 nan 8.150 nan 0.000 0.445 71 R N -0.323 120.132 120.500 -0.076 0.000 2.092 71 R HA 0.038 4.378 4.340 -0.000 0.000 0.231 71 R C 2.050 178.294 176.300 -0.093 0.000 1.119 71 R CA 0.923 56.985 56.100 -0.063 0.000 0.970 71 R CB -1.069 29.224 30.300 -0.011 0.000 0.864 71 R HN 0.580 nan 8.270 nan 0.000 0.440 72 L N 0.262 121.381 121.223 -0.173 0.000 2.042 72 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 72 L C 2.437 179.255 176.870 -0.087 0.000 1.076 72 L CA 1.102 55.850 54.840 -0.154 0.000 0.749 72 L CB -0.494 41.431 42.059 -0.224 0.000 0.893 72 L HN -0.046 nan 8.230 nan 0.000 0.432 73 V N -0.134 119.732 119.914 -0.080 0.000 2.332 73 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 73 V C 2.293 178.351 176.094 -0.059 0.000 1.055 73 V CA 1.928 64.192 62.300 -0.060 0.000 1.038 73 V CB -0.402 31.387 31.823 -0.057 0.000 0.651 73 V HN 0.501 nan 8.190 nan 0.000 0.450 74 E N -0.164 119.997 120.200 -0.064 0.000 2.140 74 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 74 E C 2.248 178.825 176.600 -0.038 0.000 0.973 74 E CA 1.478 57.843 56.400 -0.057 0.000 0.829 74 E CB -0.138 29.521 29.700 -0.067 0.000 0.781 74 E HN 0.780 nan 8.360 nan 0.000 0.466 75 T N -2.077 112.457 114.554 -0.033 0.000 3.051 75 T HA 0.093 4.443 4.350 -0.000 0.000 0.255 75 T C 1.864 176.556 174.700 -0.013 0.000 1.085 75 T CA 0.170 62.259 62.100 -0.018 0.000 1.109 75 T CB 0.218 69.079 68.868 -0.010 0.000 0.921 75 T HN -0.078 nan 8.240 nan 0.000 0.488 76 V N 0.721 120.622 119.914 -0.021 0.000 2.721 76 V HA 0.305 4.425 4.120 -0.000 0.000 0.236 76 V C 2.530 178.616 176.094 -0.014 0.000 1.116 76 V CA 0.409 62.699 62.300 -0.016 0.000 1.148 76 V CB -0.408 31.402 31.823 -0.022 0.000 0.886 76 V HN 0.306 nan 8.190 nan 0.000 0.490 77 L N 0.643 121.853 121.223 -0.023 0.000 2.044 77 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 77 L C 2.817 179.686 176.870 -0.002 0.000 1.075 77 L CA 1.532 56.361 54.840 -0.018 0.000 0.747 77 L CB -0.953 41.088 42.059 -0.031 0.000 0.903 77 L HN 0.347 nan 8.230 nan 0.000 0.435 78 A N 0.783 123.595 122.820 -0.013 0.000 1.903 78 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 78 A C 0.075 177.672 177.584 0.022 0.000 1.191 78 A CA 2.142 54.175 52.037 -0.007 0.000 0.638 78 A CB -1.947 17.038 19.000 -0.026 0.000 0.823 78 A HN 0.280 nan 8.150 nan 0.000 0.451 79 P HA -0.130 nan 4.420 nan 0.000 0.216 79 P C 1.392 178.735 177.300 0.072 0.000 1.150 79 P CA 0.914 64.035 63.100 0.035 0.000 0.837 79 P CB -0.110 31.604 31.700 0.023 0.000 0.786 80 L N -2.082 119.196 121.223 0.091 0.000 2.109 80 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 80 L C 2.145 179.184 176.870 0.282 0.000 1.086 80 L CA 0.852 55.800 54.840 0.180 0.000 0.760 80 L CB -0.819 41.326 42.059 0.143 0.000 0.910 80 L HN -0.027 nan 8.230 nan 0.000 0.437 81 L N -0.229 121.114 121.223 0.200 0.000 2.093 81 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 81 L C 2.506 179.530 176.870 0.257 0.000 1.085 81 L CA 2.078 57.061 54.840 0.239 0.000 0.755 81 L CB -0.972 41.121 42.059 0.056 0.000 0.904 81 L HN 0.386 nan 8.230 nan 0.000 0.435 82 T N -4.571 110.063 114.554 0.134 0.000 3.188 82 T HA 0.257 4.607 4.350 -0.000 0.000 0.250 82 T C 1.400 176.133 174.700 0.055 0.000 1.077 82 T CA 0.444 62.594 62.100 0.082 0.000 0.967 82 T CB 0.005 68.897 68.868 0.040 0.000 1.006 82 T HN 0.167 nan 8.240 nan 0.000 0.552 83 A N 1.687 124.548 122.820 0.068 0.000 2.195 83 A HA 0.461 4.781 4.320 -0.000 0.000 0.210 83 A C 1.263 178.816 177.584 -0.052 0.000 1.165 83 A CA -0.183 51.865 52.037 0.019 0.000 0.806 83 A CB 0.001 19.030 19.000 0.048 0.000 0.847 83 A HN 0.739 nan 8.150 nan 0.000 0.482 84 R N -2.843 117.590 120.500 -0.112 0.000 3.380 84 R HA 0.804 5.144 4.340 -0.000 0.000 0.260 84 R C -0.547 175.556 176.300 -0.329 0.000 1.074 84 R CA -0.301 55.639 56.100 -0.268 0.000 0.924 84 R CB 0.411 30.440 30.300 -0.451 0.000 1.514 84 R HN 0.255 nan 8.270 nan 0.000 0.417 85 A N 0.081 122.591 122.820 -0.516 0.000 2.435 85 A HA 0.869 5.189 4.320 -0.000 0.000 0.296 85 A C -1.568 175.548 177.584 -0.779 0.000 1.147 85 A CA -0.747 51.058 52.037 -0.387 0.000 0.775 85 A CB 1.195 20.086 19.000 -0.182 0.000 1.340 85 A HN 0.404 nan 8.150 nan 0.000 0.427 86 F N -0.837 119.087 119.950 -0.043 0.000 2.581 86 F HA 0.550 5.077 4.527 -0.000 0.000 0.311 86 F C 1.128 176.924 175.800 -0.008 0.000 1.113 86 F CA 0.015 57.995 58.000 -0.033 0.000 0.935 86 F CB 2.172 41.162 39.000 -0.015 0.000 1.232 86 F HN 0.697 nan 8.300 nan 0.000 0.445 87 A N 1.297 124.202 122.820 0.141 0.000 1.978 87 A HA 0.038 4.358 4.320 -0.000 0.000 0.220 87 A C 0.019 177.677 177.584 0.123 0.000 1.170 87 A CA 2.275 54.370 52.037 0.095 0.000 0.636 87 A CB -0.875 18.165 19.000 0.066 0.000 0.810 87 A HN 0.866 nan 8.150 nan 0.000 0.448 88 D N -6.555 113.947 120.400 0.169 0.000 2.808 88 D HA 0.269 4.909 4.640 -0.000 0.000 0.294 88 D C -2.743 173.649 176.300 0.153 0.000 1.278 88 D CA -0.966 53.131 54.000 0.162 0.000 0.756 88 D CB -0.124 40.763 40.800 0.144 0.000 1.271 88 D HN -0.191 nan 8.370 nan 0.000 0.425 89 P HA -0.155 nan 4.420 nan 0.000 0.216 89 P C 1.374 178.735 177.300 0.101 0.000 1.157 89 P CA 2.949 66.103 63.100 0.090 0.000 0.880 89 P CB -0.081 31.700 31.700 0.135 0.000 0.791 90 A N -0.290 122.609 122.820 0.131 0.000 1.908 90 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 90 A C 2.392 180.093 177.584 0.194 0.000 1.181 90 A CA 2.076 54.201 52.037 0.146 0.000 0.627 90 A CB -1.494 17.567 19.000 0.103 0.000 0.818 90 A HN 0.262 nan 8.150 nan 0.000 0.445 91 Q N -0.680 119.223 119.800 0.172 0.000 2.119 91 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 91 Q C 2.101 178.243 176.000 0.236 0.000 0.972 91 Q CA 1.437 57.367 55.803 0.212 0.000 0.847 91 Q CB -0.331 28.547 28.738 0.233 0.000 0.903 91 Q HN 0.596 nan 8.270 nan 0.000 0.433 92 A N 0.214 123.064 122.820 0.051 0.000 1.969 92 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 92 A C 1.774 179.302 177.584 -0.093 0.000 1.169 92 A CA 0.994 52.779 52.037 -0.420 0.000 0.635 92 A CB -0.800 17.649 19.000 -0.919 0.000 0.810 92 A HN 0.620 nan 8.150 nan 0.000 0.445 93 F N 1.194 121.076 119.950 -0.114 0.000 2.075 93 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 93 F C 2.481 178.265 175.800 -0.027 0.000 1.113 93 F CA 1.199 59.145 58.000 -0.090 0.000 1.218 93 F CB -0.662 38.281 39.000 -0.095 0.000 0.984 93 F HN 0.230 nan 8.300 nan 0.000 0.472 94 A N -0.397 122.397 122.820 -0.045 0.000 1.933 94 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 94 A C 2.420 179.966 177.584 -0.063 0.000 1.175 94 A CA 1.868 53.833 52.037 -0.120 0.000 0.628 94 A CB -1.533 17.506 19.000 0.066 0.000 0.814 94 A HN 0.718 nan 8.150 nan 0.000 0.444 95 H N -0.154 118.903 119.070 -0.023 0.000 2.357 95 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 95 H C 1.882 177.195 175.328 -0.025 0.000 1.082 95 H CA 1.687 57.761 56.048 0.044 0.000 1.342 95 H CB -0.082 29.829 29.762 0.248 0.000 1.389 95 H HN 0.427 nan 8.280 nan 0.000 0.511 96 L N 0.459 121.603 121.223 -0.131 0.000 2.141 96 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 96 L C 2.613 179.341 176.870 -0.236 0.000 1.094 96 L CA 0.962 55.687 54.840 -0.193 0.000 0.763 96 L CB -0.340 41.644 42.059 -0.125 0.000 0.908 96 L HN 0.339 nan 8.230 nan 0.000 0.437 97 E N 0.285 120.289 120.200 -0.326 0.000 2.047 97 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 97 E C 2.303 178.789 176.600 -0.189 0.000 0.987 97 E CA 1.191 57.407 56.400 -0.307 0.000 0.799 97 E CB -0.048 29.361 29.700 -0.485 0.000 0.752 97 E HN 0.474 nan 8.360 nan 0.000 0.449 98 A N 1.352 124.064 122.820 -0.180 0.000 1.930 98 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 98 A C 1.945 179.447 177.584 -0.136 0.000 1.175 98 A CA 0.972 52.935 52.037 -0.124 0.000 0.627 98 A CB -0.194 18.754 19.000 -0.087 0.000 0.815 98 A HN 0.018 nan 8.150 nan 0.000 0.443 99 R N -0.021 120.351 120.500 -0.215 0.000 2.323 99 R HA -0.010 4.330 4.340 -0.000 0.000 0.198 99 R C 1.145 177.373 176.300 -0.119 0.000 0.988 99 R CA 1.410 57.394 56.100 -0.194 0.000 1.041 99 R CB -0.822 29.283 30.300 -0.324 0.000 0.926 99 R HN 0.732 nan 8.270 nan 0.000 0.476 100 T N -5.113 109.379 114.554 -0.102 0.000 3.111 100 T HA 0.363 4.713 4.350 -0.000 0.000 0.284 100 T C 1.621 176.297 174.700 -0.040 0.000 0.983 100 T CA 0.317 62.381 62.100 -0.061 0.000 0.900 100 T CB 0.514 69.349 68.868 -0.055 0.000 1.132 100 T HN 0.010 nan 8.240 nan 0.000 0.531 101 A N 1.948 124.739 122.820 -0.048 0.000 1.849 101 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 101 A C 2.352 179.927 177.584 -0.014 0.000 1.202 101 A CA 2.125 54.146 52.037 -0.028 0.000 0.629 101 A CB -1.281 17.701 19.000 -0.031 0.000 0.834 101 A HN 0.381 nan 8.150 nan 0.000 0.447 102 V N -0.238 119.666 119.914 -0.016 0.000 2.287 102 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 102 V C 2.521 178.615 176.094 -0.002 0.000 1.053 102 V CA 2.028 64.323 62.300 -0.008 0.000 1.027 102 V CB -0.934 30.884 31.823 -0.009 0.000 0.646 102 V HN 0.600 nan 8.190 nan 0.000 0.447 103 L N 1.078 122.299 121.223 -0.004 0.000 2.081 103 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 103 L C 2.425 179.305 176.870 0.016 0.000 1.080 103 L CA 2.452 57.296 54.840 0.006 0.000 0.754 103 L CB -0.971 41.090 42.059 0.003 0.000 0.893 103 L HN 0.247 nan 8.230 nan 0.000 0.433 104 A N -0.561 122.267 122.820 0.013 0.000 1.972 104 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 104 A C 2.264 179.862 177.584 0.022 0.000 1.169 104 A CA 2.103 54.154 52.037 0.024 0.000 0.635 104 A CB -0.799 18.214 19.000 0.022 0.000 0.810 104 A HN 0.554 nan 8.150 nan 0.000 0.446 105 I N -1.133 119.445 120.570 0.013 0.000 2.406 105 I HA -0.180 3.990 4.170 -0.000 0.000 0.249 105 I C 2.664 178.789 176.117 0.013 0.000 1.122 105 I CA 0.757 62.064 61.300 0.011 0.000 1.431 105 I CB -0.299 37.704 38.000 0.005 0.000 1.087 105 I HN 0.313 nan 8.210 nan 0.000 0.424 106 Q N 0.399 120.208 119.800 0.013 0.000 2.079 106 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 106 Q C 2.345 178.356 176.000 0.019 0.000 0.974 106 Q CA 2.308 58.120 55.803 0.014 0.000 0.840 106 Q CB -0.357 28.389 28.738 0.013 0.000 0.898 106 Q HN 0.593 nan 8.270 nan 0.000 0.430 107 T N -4.187 110.383 114.554 0.027 0.000 3.037 107 T HA 0.243 4.593 4.350 -0.000 0.000 0.251 107 T C 1.256 175.979 174.700 0.038 0.000 1.079 107 T CA 0.768 62.890 62.100 0.036 0.000 1.067 107 T CB 0.305 69.206 68.868 0.055 0.000 0.948 107 T HN 0.386 nan 8.240 nan 0.000 0.496 108 G N 1.741 110.562 108.800 0.035 0.000 2.198 108 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 108 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 108 G C -0.008 174.923 174.900 0.052 0.000 1.025 108 G CA 0.243 45.364 45.100 0.035 0.000 0.769 108 G HN 0.641 nan 8.290 nan 0.000 0.507 109 E N 0.036 120.276 120.200 0.067 0.000 2.830 109 E HA 0.126 4.476 4.350 -0.000 0.000 0.225 109 E C -0.966 175.687 176.600 0.089 0.000 1.109 109 E CA -1.299 55.159 56.400 0.096 0.000 1.392 109 E CB 0.806 30.590 29.700 0.139 0.000 1.349 109 E HN 0.389 nan 8.360 nan 0.000 0.433 110 P HA -0.222 nan 4.420 nan 0.000 0.216 110 P C 1.490 178.848 177.300 0.098 0.000 1.153 110 P CA 1.369 64.511 63.100 0.070 0.000 0.858 110 P CB 0.240 31.966 31.700 0.043 0.000 0.789 111 G N 1.235 110.095 108.800 0.100 0.000 2.511 111 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 111 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 111 G C -0.683 174.317 174.900 0.167 0.000 1.218 111 G CA 1.372 46.546 45.100 0.124 0.000 0.788 111 G HN 0.247 nan 8.290 nan 0.000 0.560 112 P HA -0.101 nan 4.420 nan 0.000 0.216 112 P C 2.059 179.422 177.300 0.105 0.000 1.154 112 P CA 0.917 64.120 63.100 0.172 0.000 0.865 112 P CB -0.114 31.704 31.700 0.197 0.000 0.789 113 L N -1.467 119.811 121.223 0.092 0.000 2.027 113 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 113 L C 2.512 179.433 176.870 0.084 0.000 1.074 113 L CA 1.527 56.403 54.840 0.060 0.000 0.745 113 L CB -1.181 40.907 42.059 0.048 0.000 0.898 113 L HN -0.057 nan 8.230 nan 0.000 0.433 114 A N -0.298 122.601 122.820 0.132 0.000 1.883 114 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 114 A C 2.192 179.871 177.584 0.159 0.000 1.186 114 A CA 1.813 53.963 52.037 0.188 0.000 0.624 114 A CB -0.563 18.622 19.000 0.307 0.000 0.822 114 A HN 0.449 nan 8.150 nan 0.000 0.444 115 Q N -0.662 119.242 119.800 0.174 0.000 2.124 115 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 115 Q C 2.350 178.433 176.000 0.138 0.000 0.977 115 Q CA 1.623 57.545 55.803 0.197 0.000 0.850 115 Q CB -0.397 28.529 28.738 0.313 0.000 0.901 115 Q HN 0.695 nan 8.270 nan 0.000 0.429 116 A N 0.415 123.293 122.820 0.097 0.000 1.929 116 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 116 A C 2.011 179.614 177.584 0.031 0.000 1.176 116 A CA 0.964 53.030 52.037 0.047 0.000 0.628 116 A CB -0.478 18.526 19.000 0.006 0.000 0.816 116 A HN 0.313 nan 8.150 nan 0.000 0.444 117 I N -0.290 120.304 120.570 0.041 0.000 2.315 117 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 117 I C 2.965 179.108 176.117 0.044 0.000 1.117 117 I CA 0.894 62.221 61.300 0.045 0.000 1.404 117 I CB -0.346 37.688 38.000 0.055 0.000 1.071 117 I HN 0.360 nan 8.210 nan 0.000 0.419 118 A N 1.125 123.956 122.820 0.018 0.000 1.883 118 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 118 A C 2.457 179.989 177.584 -0.087 0.000 1.186 118 A CA 2.029 54.016 52.037 -0.084 0.000 0.624 118 A CB -1.511 17.448 19.000 -0.069 0.000 0.822 118 A HN 0.446 nan 8.150 nan 0.000 0.444 119 G N -0.311 108.475 108.800 -0.023 0.000 2.440 119 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 119 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 119 G C 1.555 176.437 174.900 -0.030 0.000 1.154 119 G CA 1.084 46.174 45.100 -0.018 0.000 0.767 119 G HN 0.433 nan 8.290 nan 0.000 0.552 120 L N 0.113 121.319 121.223 -0.028 0.000 2.141 120 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 120 L C 2.472 179.307 176.870 -0.057 0.000 1.094 120 L CA 1.393 56.205 54.840 -0.046 0.000 0.763 120 L CB -0.247 41.784 42.059 -0.048 0.000 0.908 120 L HN 0.276 nan 8.230 nan 0.000 0.437 121 D N 0.211 120.577 120.400 -0.058 0.000 2.149 121 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 121 D C 2.204 178.485 176.300 -0.031 0.000 0.972 121 D CA 0.887 54.847 54.000 -0.067 0.000 0.835 121 D CB 0.130 40.837 40.800 -0.155 0.000 0.966 121 D HN 0.237 nan 8.370 nan 0.000 0.476 122 I N 0.462 120.997 120.570 -0.058 0.000 2.226 122 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 122 I C 2.469 178.612 176.117 0.043 0.000 1.100 122 I CA 0.958 62.272 61.300 0.023 0.000 1.374 122 I CB -0.344 37.596 38.000 -0.100 0.000 1.057 122 I HN 0.072 nan 8.210 nan 0.000 0.413 123 A N 1.091 123.903 122.820 -0.013 0.000 1.877 123 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 123 A C 2.300 179.825 177.584 -0.099 0.000 1.186 123 A CA 1.383 53.393 52.037 -0.044 0.000 0.620 123 A CB -0.822 18.131 19.000 -0.079 0.000 0.822 123 A HN 0.375 nan 8.150 nan 0.000 0.443 124 L N -0.918 120.245 121.223 -0.100 0.000 2.093 124 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 124 L C 2.628 179.383 176.870 -0.193 0.000 1.085 124 L CA 1.064 55.830 54.840 -0.123 0.000 0.755 124 L CB -0.610 41.389 42.059 -0.101 0.000 0.904 124 L HN 0.488 nan 8.230 nan 0.000 0.435 125 C N -0.515 118.657 119.300 -0.213 0.000 2.457 125 C HA -0.135 4.325 4.460 -0.000 0.000 0.278 125 C C 2.482 177.049 174.990 -0.706 0.000 1.309 125 C CA 0.693 59.379 59.018 -0.553 0.000 1.735 125 C CB -0.592 26.929 27.740 -0.365 0.000 1.992 125 C HN 0.556 nan 8.230 nan 0.000 0.493 126 D N 0.670 120.855 120.400 -0.359 0.000 2.117 126 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 126 D C 2.022 178.141 176.300 -0.302 0.000 0.987 126 D CA 0.815 54.634 54.000 -0.302 0.000 0.829 126 D CB -0.284 40.462 40.800 -0.090 0.000 0.961 126 D HN 0.209 nan 8.370 nan 0.000 0.460 127 L N 0.804 121.882 121.223 -0.241 0.000 1.994 127 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 127 L C 2.153 178.883 176.870 -0.232 0.000 1.071 127 L CA 2.326 57.052 54.840 -0.189 0.000 0.745 127 L CB -1.573 40.398 42.059 -0.146 0.000 0.892 127 L HN 0.088 nan 8.230 nan 0.000 0.431 128 A N -0.146 122.484 122.820 -0.317 0.000 1.858 128 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 128 A C 2.479 179.809 177.584 -0.422 0.000 1.190 128 A CA 2.354 54.217 52.037 -0.290 0.000 0.617 128 A CB -1.187 17.672 19.000 -0.235 0.000 0.827 128 A HN 0.604 nan 8.150 nan 0.000 0.443 129 A N -0.537 121.762 122.820 -0.868 0.000 1.902 129 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 129 A C 2.245 179.621 177.584 -0.347 0.000 1.181 129 A CA 1.651 53.226 52.037 -0.770 0.000 0.623 129 A CB -0.482 17.954 19.000 -0.941 0.000 0.818 129 A HN 0.534 nan 8.150 nan 0.000 0.443 130 R N -1.075 119.249 120.500 -0.292 0.000 2.096 130 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 130 R C 2.495 178.726 176.300 -0.114 0.000 1.127 130 R CA 1.546 57.547 56.100 -0.165 0.000 0.968 130 R CB -0.240 29.989 30.300 -0.118 0.000 0.861 130 R HN 0.590 nan 8.270 nan 0.000 0.440 131 R N 0.140 120.570 120.500 -0.117 0.000 2.115 131 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 131 R C 1.675 177.951 176.300 -0.041 0.000 1.100 131 R CA 1.260 57.321 56.100 -0.065 0.000 0.980 131 R CB 0.008 30.276 30.300 -0.055 0.000 0.875 131 R HN 0.179 nan 8.270 nan 0.000 0.445 132 A N -0.090 122.706 122.820 -0.040 0.000 2.169 132 A HA 0.198 4.518 4.320 -0.000 0.000 0.212 132 A C 1.273 178.846 177.584 -0.018 0.000 1.153 132 A CA 0.715 52.758 52.037 0.010 0.000 0.756 132 A CB -0.110 18.954 19.000 0.107 0.000 0.813 132 A HN 0.536 nan 8.150 nan 0.000 0.471 133 G N -0.935 107.833 108.800 -0.054 0.000 2.160 133 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.244 133 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.244 133 G C -0.186 174.665 174.900 -0.082 0.000 1.022 133 G CA 0.369 45.433 45.100 -0.059 0.000 0.741 133 G HN 0.651 nan 8.290 nan 0.000 0.508 134 Q N 0.036 119.768 119.800 -0.113 0.000 2.375 134 Q HA 0.489 4.829 4.340 -0.000 0.000 0.271 134 Q C -2.545 173.293 176.000 -0.271 0.000 1.074 134 Q CA -2.242 53.456 55.803 -0.175 0.000 0.808 134 Q CB 3.095 31.758 28.738 -0.124 0.000 1.327 134 Q HN 0.226 nan 8.270 nan 0.000 0.441 135 P HA -0.065 nan 4.420 nan 0.000 0.269 135 P C 0.385 177.358 177.300 -0.544 0.000 1.215 135 P CA -0.321 62.521 63.100 -0.430 0.000 0.780 135 P CB 0.936 32.344 31.700 -0.486 0.000 0.898 136 L N 2.372 123.232 121.223 -0.605 0.000 2.079 136 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 136 L C 2.454 179.228 176.870 -0.160 0.000 1.081 136 L CA 1.646 56.177 54.840 -0.515 0.000 0.752 136 L CB -1.928 39.650 42.059 -0.802 0.000 0.896 136 L HN 0.609 nan 8.230 nan 0.000 0.433 137 W N -1.001 120.399 121.300 0.166 0.000 2.350 137 W HA -0.121 4.539 4.660 -0.000 0.000 0.289 137 W C 1.883 178.466 176.519 0.106 0.000 1.215 137 W CA 0.994 58.456 57.345 0.194 0.000 1.236 137 W CB -1.172 28.436 29.460 0.247 0.000 1.130 137 W HN 0.240 nan 8.180 nan 0.000 0.541 138 A N 0.669 123.154 122.820 -0.559 0.000 1.874 138 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 138 A C 1.739 179.229 177.584 -0.157 0.000 1.189 138 A CA 1.277 53.045 52.037 -0.449 0.000 0.615 138 A CB -1.655 16.809 19.000 -0.894 0.000 0.830 138 A HN 0.419 nan 8.150 nan 0.000 0.443 139 W N 0.743 121.832 121.300 -0.350 0.000 2.331 139 W HA -0.136 4.524 4.660 0.000 0.000 0.291 139 W C 1.294 177.692 176.519 -0.203 0.000 1.214 139 W CA 1.760 58.947 57.345 -0.262 0.000 1.228 139 W CB -0.111 29.167 29.460 -0.303 0.000 1.135 139 W HN 0.231 nan 8.180 nan 0.000 0.537 140 L N 0.284 121.507 121.223 0.000 0.000 2.599 140 L HA 0.222 4.562 4.340 -0.000 0.000 0.230 140 L C 1.930 178.742 176.870 -0.097 0.000 1.141 140 L CA 0.802 55.587 54.840 -0.091 0.000 0.877 140 L CB -0.838 41.239 42.059 0.030 0.000 1.009 140 L HN 0.302 nan 8.230 nan 0.000 0.447 141 G N -0.487 108.269 108.800 -0.072 0.000 2.176 141 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.232 141 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.232 141 G C 0.575 175.520 174.900 0.076 0.000 0.986 141 G CA -0.273 44.807 45.100 -0.034 0.000 0.643 141 G HN 0.486 nan 8.290 nan 0.000 0.522 142 G N -0.128 108.786 108.800 0.190 0.000 2.667 142 G HA2 0.560 4.520 3.960 -0.000 0.000 0.250 142 G HA3 0.560 4.520 3.960 -0.000 0.000 0.250 142 G C 1.030 176.157 174.900 0.378 0.000 1.212 142 G CA 0.951 46.236 45.100 0.308 0.000 0.874 142 G HN 1.411 nan 8.290 nan 0.000 0.561 143 S N -1.021 114.847 115.700 0.281 0.000 2.687 143 S HA 0.465 4.935 4.470 -0.000 0.000 0.247 143 S C 0.758 175.415 174.600 0.094 0.000 1.050 143 S CA 0.290 58.637 58.200 0.245 0.000 1.063 143 S CB 0.649 63.922 63.200 0.122 0.000 1.039 143 S HN 1.120 nan 8.310 nan 0.000 0.580 144 G N 1.126 109.838 108.800 -0.147 0.000 2.680 144 G HA2 0.549 4.509 3.960 -0.000 0.000 0.290 144 G HA3 0.549 4.509 3.960 -0.000 0.000 0.290 144 G C -0.981 173.314 174.900 -1.008 0.000 1.355 144 G CA -0.243 44.597 45.100 -0.434 0.000 0.903 144 G HN 0.156 nan 8.290 nan 0.000 0.474 145 D N -1.263 118.563 120.400 -0.956 0.000 2.556 145 D HA 0.072 4.712 4.640 -0.000 0.000 0.237 145 D C 0.423 176.423 176.300 -0.501 0.000 1.296 145 D CA -0.399 52.941 54.000 -1.101 0.000 0.807 145 D CB 0.576 40.673 40.800 -1.171 0.000 1.084 145 D HN 0.332 nan 8.370 nan 0.000 0.510 146 R N 1.395 121.695 120.500 -0.333 0.000 2.343 146 R HA 0.599 4.939 4.340 -0.000 0.000 0.320 146 R C -0.501 175.715 176.300 -0.140 0.000 0.956 146 R CA -0.631 55.354 56.100 -0.192 0.000 0.836 146 R CB 0.860 31.079 30.300 -0.136 0.000 1.151 146 R HN 0.208 nan 8.270 nan 0.000 0.450 147 I N 0.344 120.849 120.570 -0.107 0.000 2.865 147 I HA 0.692 4.862 4.170 -0.000 0.000 0.302 147 I C 0.016 176.107 176.117 -0.043 0.000 1.140 147 I CA -1.303 59.959 61.300 -0.063 0.000 1.021 147 I CB 2.275 40.246 38.000 -0.048 0.000 1.233 147 I HN 0.608 nan 8.210 nan 0.000 0.427 148 G N 2.220 111.011 108.800 -0.015 0.000 2.537 148 G HA2 0.623 4.583 3.960 -0.000 0.000 0.273 148 G HA3 0.623 4.583 3.960 -0.000 0.000 0.273 148 G C -0.278 174.641 174.900 0.031 0.000 1.189 148 G CA -0.189 44.909 45.100 -0.003 0.000 0.881 148 G HN 1.077 nan 8.290 nan 0.000 0.535 149 V N -1.675 118.264 119.914 0.042 0.000 3.084 149 V HA 0.947 5.067 4.120 -0.000 0.000 0.311 149 V C -1.083 175.132 176.094 0.201 0.000 1.311 149 V CA -1.357 60.998 62.300 0.092 0.000 1.062 149 V CB 1.372 33.221 31.823 0.043 0.000 1.113 149 V HN 1.351 nan 8.190 nan 0.000 0.468 150 Y N -1.265 119.093 120.300 0.096 0.000 2.558 150 Y HA 0.899 5.449 4.550 -0.000 0.000 0.333 150 Y C -0.459 175.400 175.900 -0.069 0.000 1.125 150 Y CA -0.882 57.203 58.100 -0.025 0.000 1.039 150 Y CB 1.065 39.480 38.460 -0.075 0.000 1.331 150 Y HN 1.176 nan 8.280 nan 0.000 0.456 151 A N 2.633 125.346 122.820 -0.179 0.000 2.395 151 A HA 0.517 4.837 4.320 -0.000 0.000 0.286 151 A C 0.024 177.625 177.584 0.028 0.000 1.193 151 A CA 0.067 51.892 52.037 -0.354 0.000 0.852 151 A CB -0.058 18.710 19.000 -0.388 0.000 1.118 151 A HN 0.761 nan 8.150 nan 0.000 0.524 152 S N 1.958 117.632 115.700 -0.044 0.000 2.565 152 S HA 0.602 5.072 4.470 -0.000 0.000 0.290 152 S C 0.988 175.654 174.600 0.109 0.000 1.150 152 S CA 0.554 58.838 58.200 0.140 0.000 1.058 152 S CB 0.827 64.059 63.200 0.053 0.000 1.032 152 S HN 2.385 nan 8.310 nan 0.000 0.510 153 G N 3.288 112.189 108.800 0.169 0.000 2.160 153 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 153 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 153 G C 0.064 175.029 174.900 0.108 0.000 1.022 153 G CA 0.118 45.301 45.100 0.139 0.000 0.741 153 G HN 0.774 nan 8.290 nan 0.000 0.508 154 I N 0.534 121.167 120.570 0.105 0.000 2.668 154 I HA 0.008 4.178 4.170 -0.000 0.000 0.285 154 I C 0.874 177.038 176.117 0.077 0.000 1.168 154 I CA -0.124 61.222 61.300 0.076 0.000 1.424 154 I CB 0.198 38.245 38.000 0.078 0.000 1.377 154 I HN 0.156 nan 8.210 nan 0.000 0.560 155 N N 9.043 127.770 118.700 0.046 0.000 2.530 155 N HA 0.114 4.854 4.740 -0.000 0.000 0.273 155 N C -1.367 174.141 175.510 -0.004 0.000 1.173 155 N CA -0.977 52.089 53.050 0.027 0.000 0.967 155 N CB 0.614 39.093 38.487 -0.013 0.000 1.109 155 N HN 0.409 nan 8.380 nan 0.000 0.453 156 P HA -0.149 nan 4.420 nan 0.000 0.223 156 P C 0.308 177.559 177.300 -0.082 0.000 1.144 156 P CA 1.062 64.137 63.100 -0.042 0.000 0.783 156 P CB 0.505 32.151 31.700 -0.089 0.000 0.771 157 E N 1.041 121.178 120.200 -0.105 0.000 2.012 157 E HA -0.139 4.210 4.350 -0.000 0.000 0.211 157 E C 0.528 177.080 176.600 -0.081 0.000 1.029 157 E CA 1.433 57.776 56.400 -0.095 0.000 0.867 157 E CB -0.709 28.939 29.700 -0.087 0.000 0.790 157 E HN 0.273 nan 8.360 nan 0.000 0.482 158 N N -0.928 117.725 118.700 -0.077 0.000 2.640 158 N HA 0.188 4.928 4.740 -0.000 0.000 0.262 158 N C -2.426 173.031 175.510 -0.089 0.000 1.174 158 N CA -0.786 52.207 53.050 -0.094 0.000 0.791 158 N CB 1.916 40.346 38.487 -0.094 0.000 1.279 158 N HN -0.081 nan 8.380 nan 0.000 0.535 159 P HA -0.224 nan 4.420 nan 0.000 0.213 159 P C 1.287 178.523 177.300 -0.106 0.000 1.170 159 P CA 1.179 64.234 63.100 -0.075 0.000 0.898 159 P CB 0.202 31.869 31.700 -0.056 0.000 0.787 160 E N 0.064 120.182 120.200 -0.136 0.000 2.253 160 E HA -0.274 4.076 4.350 -0.000 0.000 0.202 160 E C 1.116 177.648 176.600 -0.112 0.000 1.014 160 E CA 1.743 58.062 56.400 -0.134 0.000 0.823 160 E CB -1.352 28.264 29.700 -0.140 0.000 0.736 160 E HN 0.295 nan 8.360 nan 0.000 0.478 161 D N 1.144 121.486 120.400 -0.096 0.000 2.085 161 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 161 D C 2.145 178.413 176.300 -0.054 0.000 0.981 161 D CA 1.637 55.596 54.000 -0.067 0.000 0.834 161 D CB -0.592 40.173 40.800 -0.058 0.000 0.992 161 D HN 0.191 nan 8.370 nan 0.000 0.457 162 V N 0.707 120.591 119.914 -0.051 0.000 2.490 162 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 162 V C 2.204 178.278 176.094 -0.034 0.000 1.061 162 V CA 1.275 63.557 62.300 -0.029 0.000 1.064 162 V CB -0.262 31.550 31.823 -0.018 0.000 0.670 162 V HN -0.004 nan 8.190 nan 0.000 0.461 163 V N 1.004 120.852 119.914 -0.109 0.000 2.255 163 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 163 V C 2.971 178.953 176.094 -0.187 0.000 1.051 163 V CA 2.354 64.491 62.300 -0.273 0.000 1.018 163 V CB -1.535 29.988 31.823 -0.499 0.000 0.641 163 V HN 0.674 nan 8.190 nan 0.000 0.445 164 A N -0.146 122.596 122.820 -0.130 0.000 1.917 164 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 164 A C 2.374 179.973 177.584 0.024 0.000 1.182 164 A CA 2.021 54.026 52.037 -0.053 0.000 0.633 164 A CB -0.552 18.424 19.000 -0.041 0.000 0.819 164 A HN 0.509 nan 8.150 nan 0.000 0.448 165 R N -0.609 119.908 120.500 0.029 0.000 2.083 165 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 165 R C 2.089 178.470 176.300 0.135 0.000 1.137 165 R CA 1.466 57.604 56.100 0.064 0.000 0.951 165 R CB -0.327 29.999 30.300 0.044 0.000 0.851 165 R HN 0.353 nan 8.270 nan 0.000 0.434 166 K N 0.641 121.148 120.400 0.178 0.000 2.025 166 K HA -0.025 4.295 4.320 -0.000 0.000 0.207 166 K C 2.080 178.973 176.600 0.488 0.000 1.049 166 K CA 1.366 57.857 56.287 0.340 0.000 0.933 166 K CB -0.567 32.079 32.500 0.244 0.000 0.714 166 K HN 0.145 nan 8.250 nan 0.000 0.438 167 A N 1.408 124.495 122.820 0.446 0.000 2.024 167 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 167 A C 2.336 180.057 177.584 0.228 0.000 1.164 167 A CA 2.085 54.366 52.037 0.407 0.000 0.643 167 A CB -0.493 18.659 19.000 0.254 0.000 0.806 167 A HN 0.319 nan 8.150 nan 0.000 0.451 168 A N -0.346 122.580 122.820 0.178 0.000 1.898 168 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 168 A C 1.827 179.481 177.584 0.117 0.000 1.183 168 A CA 1.291 53.398 52.037 0.117 0.000 0.622 168 A CB -0.394 18.659 19.000 0.088 0.000 0.824 168 A HN 0.592 nan 8.150 nan 0.000 0.444 169 E N -1.522 118.780 120.200 0.169 0.000 2.338 169 E HA 0.101 4.451 4.350 -0.000 0.000 0.197 169 E C 1.208 177.819 176.600 0.019 0.000 1.007 169 E CA 0.497 56.978 56.400 0.135 0.000 0.849 169 E CB -0.102 29.757 29.700 0.266 0.000 0.774 169 E HN 0.758 nan 8.360 nan 0.000 0.506 170 G N -0.187 108.634 108.800 0.035 0.000 2.260 170 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.179 170 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.179 170 G C -0.243 174.566 174.900 -0.151 0.000 1.002 170 G CA -0.527 44.522 45.100 -0.086 0.000 0.677 170 G HN 0.145 nan 8.290 nan 0.000 0.486 171 Y N 0.972 121.280 120.300 0.013 0.000 2.480 171 Y HA 0.555 5.105 4.550 -0.000 0.000 0.338 171 Y C 1.688 177.520 175.900 -0.114 0.000 1.220 171 Y CA 0.150 58.185 58.100 -0.108 0.000 1.430 171 Y CB 0.625 38.981 38.460 -0.173 0.000 1.311 171 Y HN -0.016 nan 8.280 nan 0.000 0.575 172 R N 1.506 121.933 120.500 -0.122 0.000 2.616 172 R HA 0.552 4.892 4.340 -0.000 0.000 0.427 172 R C -1.042 175.138 176.300 -0.199 0.000 1.030 172 R CA -0.203 55.865 56.100 -0.054 0.000 1.133 172 R CB 0.645 30.939 30.300 -0.011 0.000 1.444 172 R HN 0.576 nan 8.270 nan 0.000 0.578 173 A N 0.648 123.040 122.820 -0.714 0.000 2.540 173 A HA 0.757 5.077 4.320 -0.000 0.000 0.297 173 A C -1.441 175.577 177.584 -0.944 0.000 1.056 173 A CA -0.573 51.162 52.037 -0.503 0.000 0.700 173 A CB 1.138 20.042 19.000 -0.160 0.000 1.280 173 A HN 0.100 nan 8.150 nan 0.000 0.398 174 F N 0.427 120.382 119.950 0.008 0.000 2.613 174 F HA 0.716 5.243 4.527 -0.000 0.000 0.310 174 F C 0.038 175.793 175.800 -0.076 0.000 1.085 174 F CA -0.636 57.377 58.000 0.021 0.000 0.945 174 F CB 2.654 41.653 39.000 -0.002 0.000 1.298 174 F HN 0.523 nan 8.300 nan 0.000 0.455 175 K N 2.466 122.970 120.400 0.174 0.000 2.579 175 K HA 0.572 4.892 4.320 -0.000 0.000 0.250 175 K C -1.695 174.965 176.600 0.100 0.000 0.952 175 K CA -0.628 55.685 56.287 0.044 0.000 0.857 175 K CB 1.001 33.550 32.500 0.083 0.000 1.123 175 K HN 0.478 nan 8.250 nan 0.000 0.433 176 L N 3.200 124.457 121.223 0.057 0.000 2.439 176 L HA 0.348 4.688 4.340 -0.000 0.000 0.261 176 L C 0.064 176.990 176.870 0.095 0.000 1.153 176 L CA 0.085 54.972 54.840 0.078 0.000 0.808 176 L CB 0.798 42.894 42.059 0.061 0.000 1.126 176 L HN 0.521 nan 8.230 nan 0.000 0.460 177 K N 1.631 122.113 120.400 0.136 0.000 2.265 177 K HA 0.588 4.908 4.320 -0.000 0.000 0.267 177 K C -0.479 176.251 176.600 0.217 0.000 0.994 177 K CA -0.531 55.857 56.287 0.168 0.000 0.860 177 K CB 1.687 34.345 32.500 0.265 0.000 1.099 177 K HN 0.471 nan 8.250 nan 0.000 0.448 178 V N -1.221 118.744 119.914 0.085 0.000 3.285 178 V HA 0.832 4.952 4.120 -0.000 0.000 0.302 178 V C 0.790 176.782 176.094 -0.171 0.000 1.247 178 V CA -0.057 62.320 62.300 0.128 0.000 1.035 178 V CB 0.963 32.917 31.823 0.217 0.000 1.223 178 V HN 0.894 nan 8.190 nan 0.000 0.475 179 G N -1.307 107.483 108.800 -0.018 0.000 2.157 179 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.239 179 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.239 179 G C -0.124 174.649 174.900 -0.211 0.000 0.982 179 G CA 0.665 45.592 45.100 -0.288 0.000 0.650 179 G HN 0.795 nan 8.290 nan 0.000 0.527 180 F N 0.822 120.854 119.950 0.137 0.000 2.414 180 F HA 0.427 4.954 4.527 -0.000 0.000 0.255 180 F C 1.225 177.100 175.800 0.125 0.000 1.032 180 F CA 0.950 59.010 58.000 0.101 0.000 1.049 180 F CB 0.059 39.099 39.000 0.066 0.000 1.140 180 F HN 0.094 nan 8.300 nan 0.000 0.643 181 D N -0.204 120.405 120.400 0.348 0.000 2.453 181 D HA 0.176 4.816 4.640 -0.000 0.000 0.238 181 D C 0.224 176.628 176.300 0.172 0.000 1.088 181 D CA -0.250 53.873 54.000 0.204 0.000 0.854 181 D CB 0.717 41.601 40.800 0.140 0.000 1.076 181 D HN 0.014 nan 8.370 nan 0.000 0.533 182 D N 2.954 123.434 120.400 0.133 0.000 2.191 182 D HA -0.286 4.354 4.640 -0.000 0.000 0.190 182 D C 1.860 178.191 176.300 0.053 0.000 1.007 182 D CA 1.990 56.031 54.000 0.067 0.000 0.865 182 D CB -0.306 40.478 40.800 -0.026 0.000 0.929 182 D HN 0.561 nan 8.370 nan 0.000 0.447 183 A N 0.758 123.604 122.820 0.044 0.000 1.841 183 A HA -0.249 4.070 4.320 -0.000 0.000 0.216 183 A C 2.211 179.824 177.584 0.049 0.000 1.199 183 A CA 2.383 54.440 52.037 0.034 0.000 0.621 183 A CB -0.747 18.269 19.000 0.027 0.000 0.835 183 A HN 0.243 nan 8.150 nan 0.000 0.445 184 R N -0.341 120.196 120.500 0.062 0.000 2.080 184 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 184 R C 1.705 178.054 176.300 0.081 0.000 1.137 184 R CA 2.168 58.304 56.100 0.060 0.000 0.943 184 R CB -0.619 29.714 30.300 0.056 0.000 0.846 184 R HN 0.506 nan 8.270 nan 0.000 0.431 185 D N 0.146 120.621 120.400 0.126 0.000 2.126 185 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 185 D C 2.012 178.379 176.300 0.111 0.000 1.001 185 D CA 1.857 55.948 54.000 0.152 0.000 0.841 185 D CB -0.455 40.483 40.800 0.231 0.000 0.949 185 D HN 0.186 nan 8.370 nan 0.000 0.446 186 V N 0.957 120.924 119.914 0.088 0.000 2.469 186 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 186 V C 2.561 178.688 176.094 0.056 0.000 1.064 186 V CA 1.562 63.897 62.300 0.059 0.000 1.066 186 V CB -0.475 31.365 31.823 0.028 0.000 0.667 186 V HN 0.154 nan 8.190 nan 0.000 0.461 187 R N 0.119 120.654 120.500 0.058 0.000 2.066 187 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 187 R C 2.355 178.707 176.300 0.085 0.000 1.131 187 R CA 1.665 57.804 56.100 0.065 0.000 0.955 187 R CB -0.252 30.080 30.300 0.054 0.000 0.851 187 R HN 0.544 nan 8.270 nan 0.000 0.432 188 N N 0.611 119.349 118.700 0.063 0.000 2.069 188 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 188 N C 1.663 177.214 175.510 0.068 0.000 1.031 188 N CA 1.509 54.589 53.050 0.049 0.000 0.852 188 N CB -0.395 38.113 38.487 0.035 0.000 1.018 188 N HN 0.263 nan 8.380 nan 0.000 0.423 189 A N 1.748 124.608 122.820 0.066 0.000 1.851 189 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 189 A C 2.437 180.050 177.584 0.048 0.000 1.195 189 A CA 1.240 53.309 52.037 0.053 0.000 0.622 189 A CB -0.966 18.067 19.000 0.054 0.000 0.831 189 A HN 0.234 nan 8.150 nan 0.000 0.444 190 L N -1.580 119.673 121.223 0.050 0.000 2.083 190 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 190 L C 2.751 179.641 176.870 0.034 0.000 1.083 190 L CA 1.482 56.340 54.840 0.030 0.000 0.752 190 L CB -0.780 41.291 42.059 0.019 0.000 0.899 190 L HN 0.566 nan 8.230 nan 0.000 0.433 191 H N 0.374 119.435 119.070 -0.015 0.000 2.276 191 H HA -0.112 4.443 4.556 -0.000 0.000 0.301 191 H C 2.282 177.587 175.328 -0.037 0.000 1.073 191 H CA 1.996 58.030 56.048 -0.024 0.000 1.311 191 H CB 0.072 29.820 29.762 -0.022 0.000 1.379 191 H HN 0.063 nan 8.280 nan 0.000 0.494 192 V N 1.894 121.914 119.914 0.176 0.000 2.392 192 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 192 V C 2.823 178.922 176.094 0.009 0.000 1.059 192 V CA 2.101 64.437 62.300 0.061 0.000 1.051 192 V CB -0.647 31.170 31.823 -0.010 0.000 0.658 192 V HN 0.272 nan 8.190 nan 0.000 0.455 193 R N 1.119 121.625 120.500 0.010 0.000 2.083 193 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 193 R C 2.078 178.364 176.300 -0.022 0.000 1.137 193 R CA 2.123 58.219 56.100 -0.007 0.000 0.951 193 R CB -0.738 29.558 30.300 -0.006 0.000 0.851 193 R HN 0.643 nan 8.270 nan 0.000 0.434 194 E N -0.018 120.155 120.200 -0.045 0.000 2.077 194 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 194 E C 1.913 178.474 176.600 -0.064 0.000 0.989 194 E CA 1.353 57.707 56.400 -0.077 0.000 0.800 194 E CB -0.346 29.262 29.700 -0.154 0.000 0.746 194 E HN 0.263 nan 8.360 nan 0.000 0.452 195 L N 0.970 122.167 121.223 -0.043 0.000 2.083 195 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 195 L C 1.912 178.761 176.870 -0.035 0.000 1.083 195 L CA 1.602 56.431 54.840 -0.018 0.000 0.752 195 L CB -0.251 41.833 42.059 0.041 0.000 0.899 195 L HN 0.082 nan 8.230 nan 0.000 0.433 196 L N -1.030 120.168 121.223 -0.042 0.000 2.068 196 L HA 0.283 4.623 4.340 -0.000 0.000 0.204 196 L C 1.578 178.447 176.870 -0.001 0.000 1.076 196 L CA 0.633 55.454 54.840 -0.032 0.000 0.753 196 L CB -0.814 41.230 42.059 -0.024 0.000 0.910 196 L HN 0.593 nan 8.230 nan 0.000 0.439 197 G N -1.476 107.321 108.800 -0.005 0.000 2.250 197 G HA2 0.060 4.020 3.960 -0.000 0.000 0.189 197 G HA3 0.060 4.020 3.960 -0.000 0.000 0.189 197 G C -0.052 174.849 174.900 0.001 0.000 1.298 197 G CA 0.048 45.148 45.100 -0.001 0.000 1.246 197 G HN 0.172 nan 8.290 nan 0.000 0.513 198 A N -1.363 121.461 122.820 0.007 0.000 2.377 198 A HA 0.818 5.138 4.320 -0.000 0.000 0.209 198 A C 2.020 179.611 177.584 0.012 0.000 1.359 198 A CA 1.710 53.750 52.037 0.006 0.000 1.026 198 A CB -0.160 18.841 19.000 0.001 0.000 1.224 198 A HN 2.136 nan 8.150 nan 0.000 0.528 199 A N 0.007 122.838 122.820 0.018 0.000 1.903 199 A HA 0.224 4.544 4.320 -0.000 0.000 0.213 199 A C 1.295 178.896 177.584 0.029 0.000 1.185 199 A CA 1.385 53.434 52.037 0.020 0.000 0.628 199 A CB -0.886 18.126 19.000 0.020 0.000 0.830 199 A HN 0.290 nan 8.150 nan 0.000 0.446 200 T N 3.610 118.193 114.554 0.049 0.000 2.871 200 T HA 0.301 4.650 4.350 -0.000 0.000 0.296 200 T C -2.428 172.305 174.700 0.055 0.000 0.998 200 T CA -0.373 61.776 62.100 0.082 0.000 1.162 200 T CB 0.411 69.376 68.868 0.161 0.000 0.947 200 T HN 0.290 nan 8.240 nan 0.000 0.536 201 P HA 0.331 nan 4.420 nan 0.000 0.276 201 P C -0.912 176.347 177.300 -0.068 0.000 1.235 201 P CA -0.643 62.427 63.100 -0.050 0.000 0.772 201 P CB 0.808 32.456 31.700 -0.086 0.000 0.871 202 L N 4.713 125.867 121.223 -0.114 0.000 2.365 202 L HA 0.606 4.946 4.340 -0.000 0.000 0.273 202 L C -0.787 175.896 176.870 -0.311 0.000 1.000 202 L CA -0.696 54.072 54.840 -0.120 0.000 0.819 202 L CB 1.760 43.800 42.059 -0.032 0.000 1.284 202 L HN 0.256 nan 8.230 nan 0.000 0.418 203 M N 3.906 123.260 119.600 -0.410 0.000 2.644 203 M HA 0.876 5.356 4.480 -0.000 0.000 0.304 203 M C -0.729 175.383 176.300 -0.313 0.000 1.215 203 M CA -0.335 54.576 55.300 -0.647 0.000 0.871 203 M CB 2.278 34.045 32.600 -1.388 0.000 1.740 203 M HN 0.648 nan 8.290 nan 0.000 0.464 204 A N 0.685 123.369 122.820 -0.228 0.000 2.414 204 A HA 0.791 5.111 4.320 -0.000 0.000 0.306 204 A C -1.760 175.840 177.584 0.026 0.000 1.054 204 A CA -0.526 51.488 52.037 -0.038 0.000 0.724 204 A CB 1.096 20.117 19.000 0.035 0.000 1.267 204 A HN 0.709 nan 8.150 nan 0.000 0.418 205 D N 1.505 121.924 120.400 0.030 0.000 2.593 205 D HA 0.614 5.254 4.640 -0.000 0.000 0.251 205 D C 0.369 176.585 176.300 -0.140 0.000 1.140 205 D CA 0.260 54.269 54.000 0.015 0.000 0.855 205 D CB 1.937 42.790 40.800 0.089 0.000 1.267 205 D HN 0.477 nan 8.370 nan 0.000 0.532 206 A N 3.488 126.126 122.820 -0.303 0.000 2.348 206 A HA 0.180 4.500 4.320 -0.000 0.000 0.224 206 A C 0.652 177.927 177.584 -0.515 0.000 1.227 206 A CA -0.127 51.529 52.037 -0.635 0.000 0.885 206 A CB -0.677 17.523 19.000 -1.332 0.000 0.933 206 A HN 0.774 nan 8.150 nan 0.000 0.506 207 N N 0.516 119.047 118.700 -0.283 0.000 2.705 207 N HA -0.244 4.496 4.740 -0.000 0.000 0.255 207 N C -0.287 175.088 175.510 -0.226 0.000 1.008 207 N CA 0.855 53.783 53.050 -0.204 0.000 0.742 207 N CB -1.471 36.899 38.487 -0.195 0.000 0.906 207 N HN 0.670 nan 8.380 nan 0.000 0.541 208 Q N -3.539 116.138 119.800 -0.205 0.000 2.475 208 Q HA -0.248 4.092 4.340 -0.000 0.000 0.280 208 Q C 1.228 177.093 176.000 -0.224 0.000 1.234 208 Q CA 0.690 56.399 55.803 -0.157 0.000 0.873 208 Q CB -1.727 26.967 28.738 -0.073 0.000 1.256 208 Q HN 0.761 nan 8.270 nan 0.000 0.475 209 G N -1.287 107.262 108.800 -0.419 0.000 2.777 209 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.211 209 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.211 209 G C 0.016 174.794 174.900 -0.205 0.000 1.149 209 G CA 0.006 44.859 45.100 -0.410 0.000 0.785 209 G HN 0.245 nan 8.290 nan 0.000 0.536 210 W N 1.168 122.409 121.300 -0.098 0.000 2.736 210 W HA 0.473 5.133 4.660 -0.000 0.000 0.355 210 W C -0.449 175.999 176.519 -0.119 0.000 1.102 210 W CA -1.431 55.855 57.345 -0.099 0.000 1.164 210 W CB 0.606 30.006 29.460 -0.101 0.000 1.422 210 W HN 0.035 nan 8.180 nan 0.000 0.572 211 D N -0.173 120.315 120.400 0.147 0.000 2.385 211 D HA 0.177 4.817 4.640 -0.000 0.000 0.254 211 D C 0.949 177.238 176.300 -0.019 0.000 1.053 211 D CA -0.650 53.362 54.000 0.020 0.000 0.992 211 D CB 1.319 42.122 40.800 0.006 0.000 1.145 211 D HN 0.144 nan 8.370 nan 0.000 0.523 212 L N 1.116 122.295 121.223 -0.075 0.000 1.997 212 L HA -0.122 4.218 4.340 -0.000 0.000 0.216 212 L C -1.042 175.777 176.870 -0.085 0.000 1.074 212 L CA 2.315 57.095 54.840 -0.099 0.000 0.763 212 L CB -1.883 40.117 42.059 -0.098 0.000 0.890 212 L HN 0.401 nan 8.230 nan 0.000 0.434 213 P HA -0.222 nan 4.420 nan 0.000 0.213 213 P C 1.643 178.865 177.300 -0.130 0.000 1.170 213 P CA 1.786 64.835 63.100 -0.085 0.000 0.902 213 P CB -0.193 31.468 31.700 -0.066 0.000 0.789 214 R N -0.480 119.933 120.500 -0.146 0.000 2.120 214 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 214 R C 2.064 178.092 176.300 -0.453 0.000 1.123 214 R CA 1.501 57.433 56.100 -0.279 0.000 0.975 214 R CB -0.756 29.396 30.300 -0.247 0.000 0.866 214 R HN 0.082 nan 8.270 nan 0.000 0.446 215 A N 0.991 123.664 122.820 -0.245 0.000 1.873 215 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 215 A C 2.131 179.595 177.584 -0.201 0.000 1.186 215 A CA 1.288 53.227 52.037 -0.164 0.000 0.616 215 A CB -0.433 18.605 19.000 0.064 0.000 0.823 215 A HN 0.324 nan 8.150 nan 0.000 0.442 216 R N -0.822 119.590 120.500 -0.146 0.000 2.103 216 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 216 R C 2.599 178.814 176.300 -0.143 0.000 1.142 216 R CA 1.860 57.893 56.100 -0.112 0.000 0.960 216 R CB -0.340 29.907 30.300 -0.088 0.000 0.858 216 R HN 0.780 nan 8.270 nan 0.000 0.439 217 Q N -0.026 119.656 119.800 -0.197 0.000 1.990 217 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 217 Q C 2.073 177.925 176.000 -0.247 0.000 0.980 217 Q CA 1.272 56.955 55.803 -0.200 0.000 0.832 217 Q CB 0.109 28.721 28.738 -0.209 0.000 0.897 217 Q HN 0.207 nan 8.270 nan 0.000 0.427 218 M N 0.180 119.521 119.600 -0.432 0.000 2.149 218 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 218 M C 2.264 178.425 176.300 -0.232 0.000 1.064 218 M CA 1.569 56.586 55.300 -0.471 0.000 1.102 218 M CB -1.445 30.474 32.600 -1.136 0.000 1.369 218 M HN 0.348 nan 8.290 nan 0.000 0.408 219 A N -0.289 122.425 122.820 -0.176 0.000 1.851 219 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 219 A C 2.143 179.708 177.584 -0.031 0.000 1.195 219 A CA 1.921 53.941 52.037 -0.030 0.000 0.622 219 A CB -0.774 18.226 19.000 -0.001 0.000 0.831 219 A HN 0.417 nan 8.150 nan 0.000 0.444 220 Q N -0.447 119.319 119.800 -0.057 0.000 2.030 220 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 220 Q C 2.252 178.227 176.000 -0.040 0.000 0.986 220 Q CA 2.024 57.801 55.803 -0.042 0.000 0.843 220 Q CB -0.325 28.381 28.738 -0.053 0.000 0.904 220 Q HN 0.691 nan 8.270 nan 0.000 0.420 221 R N -0.491 119.971 120.500 -0.063 0.000 2.152 221 R HA -0.077 4.262 4.340 -0.000 0.000 0.232 221 R C 2.098 178.384 176.300 -0.024 0.000 1.117 221 R CA 0.995 57.065 56.100 -0.050 0.000 0.981 221 R CB -0.276 29.980 30.300 -0.074 0.000 0.870 221 R HN 0.262 nan 8.270 nan 0.000 0.451 222 L N -0.647 120.568 121.223 -0.014 0.000 2.270 222 L HA 0.061 4.401 4.340 -0.000 0.000 0.210 222 L C 2.482 179.361 176.870 0.015 0.000 1.104 222 L CA 0.531 55.381 54.840 0.016 0.000 0.804 222 L CB -0.576 41.514 42.059 0.051 0.000 0.937 222 L HN 0.301 nan 8.230 nan 0.000 0.450 223 G N 1.663 110.469 108.800 0.009 0.000 2.663 223 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.222 223 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.222 223 G C -0.700 174.204 174.900 0.007 0.000 1.146 223 G CA 1.100 46.206 45.100 0.010 0.000 0.764 223 G HN 0.314 nan 8.290 nan 0.000 0.608 224 P HA -0.006 nan 4.420 nan 0.000 0.221 224 P C 1.890 179.190 177.300 -0.001 0.000 1.145 224 P CA 1.611 64.710 63.100 -0.001 0.000 0.795 224 P CB -0.140 31.557 31.700 -0.004 0.000 0.775 225 A N -1.084 121.738 122.820 0.003 0.000 2.168 225 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 225 A C 0.670 178.251 177.584 -0.004 0.000 1.152 225 A CA 0.593 52.631 52.037 0.002 0.000 0.716 225 A CB -0.770 18.236 19.000 0.009 0.000 0.794 225 A HN 0.051 nan 8.150 nan 0.000 0.465 226 Q N -0.998 118.801 119.800 -0.002 0.000 2.453 226 Q HA -0.169 4.171 4.340 -0.000 0.000 0.330 226 Q C -0.620 175.369 176.000 -0.019 0.000 1.417 226 Q CA 0.712 56.513 55.803 -0.003 0.000 0.902 226 Q CB -2.213 26.523 28.738 -0.003 0.000 1.154 226 Q HN 0.700 nan 8.270 nan 0.000 0.395 227 L N 0.020 121.230 121.223 -0.022 0.000 2.397 227 L HA 0.088 4.428 4.340 -0.000 0.000 0.271 227 L C 1.642 178.474 176.870 -0.063 0.000 1.148 227 L CA -0.349 54.450 54.840 -0.068 0.000 0.825 227 L CB 0.391 42.415 42.059 -0.058 0.000 1.117 227 L HN 0.050 nan 8.230 nan 0.000 0.456 228 D N 0.997 121.301 120.400 -0.161 0.000 2.178 228 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 228 D C -0.463 175.920 176.300 0.138 0.000 0.974 228 D CA 1.410 55.366 54.000 -0.072 0.000 0.841 228 D CB 0.238 40.897 40.800 -0.235 0.000 0.953 228 D HN 0.515 nan 8.370 nan 0.000 0.478 229 W N -1.275 120.012 121.300 -0.022 0.000 3.064 229 W HA 0.403 5.063 4.660 -0.000 0.000 0.328 229 W C -2.320 174.208 176.519 0.016 0.000 1.210 229 W CA -1.016 56.328 57.345 -0.003 0.000 1.178 229 W CB 0.313 29.760 29.460 -0.022 0.000 1.416 229 W HN -0.313 nan 8.180 nan 0.000 0.568 230 L N 3.033 124.501 121.223 0.408 0.000 2.298 230 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 230 L C -0.092 177.003 176.870 0.376 0.000 1.013 230 L CA -0.630 54.394 54.840 0.306 0.000 0.824 230 L CB 1.446 43.654 42.059 0.249 0.000 1.221 230 L HN 0.759 nan 8.230 nan 0.000 0.418 231 E N 3.772 124.183 120.200 0.352 0.000 2.301 231 E HA 0.091 4.441 4.350 -0.000 0.000 0.275 231 E C -0.216 176.453 176.600 0.115 0.000 1.030 231 E CA -0.350 56.201 56.400 0.252 0.000 0.852 231 E CB 0.708 30.579 29.700 0.285 0.000 1.060 231 E HN 0.540 nan 8.360 nan 0.000 0.401 232 E N 2.718 123.007 120.200 0.148 0.000 2.038 232 E HA -0.203 4.147 4.350 -0.000 0.000 0.181 232 E C -1.731 174.882 176.600 0.022 0.000 1.383 232 E CA -0.020 56.486 56.400 0.176 0.000 0.677 232 E CB -0.517 29.224 29.700 0.068 0.000 1.051 232 E HN 0.491 nan 8.360 nan 0.000 0.317 233 P HA -0.132 nan 4.420 nan 0.000 0.222 233 P C 0.470 177.680 177.300 -0.151 0.000 1.147 233 P CA 1.280 64.329 63.100 -0.085 0.000 0.790 233 P CB 0.356 32.141 31.700 0.142 0.000 0.780 234 L N -1.635 119.419 121.223 -0.283 0.000 2.257 234 L HA 0.477 4.817 4.340 -0.000 0.000 0.257 234 L C 0.782 177.651 176.870 -0.002 0.000 1.033 234 L CA -1.559 53.100 54.840 -0.301 0.000 0.835 234 L CB 1.421 42.994 42.059 -0.810 0.000 1.398 234 L HN -0.379 nan 8.230 nan 0.000 0.429 235 R N 0.074 120.590 120.500 0.026 0.000 2.490 235 R HA 0.265 4.604 4.340 -0.000 0.000 0.280 235 R C 0.766 177.246 176.300 0.299 0.000 1.077 235 R CA 0.126 56.292 56.100 0.109 0.000 1.065 235 R CB 0.934 31.262 30.300 0.047 0.000 1.003 235 R HN 0.800 nan 8.270 nan 0.000 0.470 236 A N 2.180 125.130 122.820 0.218 0.000 2.125 236 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 236 A C 1.515 179.169 177.584 0.116 0.000 1.156 236 A CA 1.439 53.562 52.037 0.145 0.000 0.671 236 A CB -0.251 18.726 19.000 -0.039 0.000 0.794 236 A HN 0.724 nan 8.150 nan 0.000 0.459 237 D N -0.171 120.297 120.400 0.114 0.000 2.144 237 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 237 D C 0.872 177.244 176.300 0.119 0.000 0.978 237 D CA 0.303 54.347 54.000 0.073 0.000 0.833 237 D CB -0.116 40.709 40.800 0.043 0.000 0.961 237 D HN 0.197 nan 8.370 nan 0.000 0.470 238 R N 1.142 121.760 120.500 0.196 0.000 2.678 238 R HA 0.033 4.373 4.340 -0.000 0.000 0.264 238 R C -2.155 174.288 176.300 0.239 0.000 0.995 238 R CA -0.768 55.439 56.100 0.178 0.000 1.098 238 R CB -1.036 29.316 30.300 0.087 0.000 0.949 238 R HN 0.140 nan 8.270 nan 0.000 0.422 239 P HA 0.007 nan 4.420 nan 0.000 0.268 239 P C 0.236 177.672 177.300 0.226 0.000 1.205 239 P CA 0.239 63.418 63.100 0.132 0.000 0.771 239 P CB 0.586 32.329 31.700 0.071 0.000 0.858 240 A N 3.842 126.757 122.820 0.158 0.000 1.927 240 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 240 A C 2.146 179.842 177.584 0.187 0.000 1.185 240 A CA 2.430 54.562 52.037 0.159 0.000 0.639 240 A CB -1.700 17.329 19.000 0.047 0.000 0.820 240 A HN 0.572 nan 8.150 nan 0.000 0.451 241 A N -0.386 122.504 122.820 0.116 0.000 1.940 241 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 241 A C 1.926 179.560 177.584 0.084 0.000 1.176 241 A CA 1.765 53.852 52.037 0.084 0.000 0.631 241 A CB -0.556 18.473 19.000 0.049 0.000 0.814 241 A HN 0.685 nan 8.150 nan 0.000 0.446 242 E N -1.545 118.700 120.200 0.076 0.000 2.106 242 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 242 E C 1.814 178.396 176.600 -0.029 0.000 0.984 242 E CA 1.231 57.623 56.400 -0.014 0.000 0.806 242 E CB -0.233 29.413 29.700 -0.090 0.000 0.750 242 E HN 0.875 nan 8.360 nan 0.000 0.458 243 W N 1.087 122.390 121.300 0.004 0.000 2.355 243 W HA -0.133 4.527 4.660 -0.000 0.000 0.309 243 W C 2.655 179.180 176.519 0.009 0.000 1.206 243 W CA 1.208 58.557 57.345 0.007 0.000 1.284 243 W CB -0.449 29.008 29.460 -0.006 0.000 1.145 243 W HN 0.071 nan 8.180 nan 0.000 0.502 244 A N 0.105 123.068 122.820 0.239 0.000 1.873 244 A HA -0.312 4.008 4.320 -0.000 0.000 0.218 244 A C 1.917 179.556 177.584 0.093 0.000 1.193 244 A CA 2.108 54.229 52.037 0.139 0.000 0.629 244 A CB -1.093 17.965 19.000 0.096 0.000 0.826 244 A HN 0.423 nan 8.150 nan 0.000 0.447 245 E N -0.754 119.484 120.200 0.063 0.000 2.118 245 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 245 E C 1.900 178.513 176.600 0.021 0.000 0.992 245 E CA 1.444 57.861 56.400 0.029 0.000 0.804 245 E CB -0.176 29.527 29.700 0.006 0.000 0.741 245 E HN 0.467 nan 8.360 nan 0.000 0.458 246 L N 0.631 121.863 121.223 0.014 0.000 2.109 246 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 246 L C 2.203 179.106 176.870 0.055 0.000 1.086 246 L CA 1.926 56.768 54.840 0.002 0.000 0.760 246 L CB -0.603 41.416 42.059 -0.067 0.000 0.910 246 L HN 0.142 nan 8.230 nan 0.000 0.437 247 A N -0.908 121.972 122.820 0.101 0.000 1.858 247 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 247 A C 2.188 179.816 177.584 0.073 0.000 1.190 247 A CA 1.928 54.032 52.037 0.112 0.000 0.617 247 A CB -0.692 18.386 19.000 0.130 0.000 0.827 247 A HN 0.616 nan 8.150 nan 0.000 0.443 248 Q N -0.778 119.057 119.800 0.058 0.000 2.014 248 Q HA -0.215 4.125 4.340 -0.000 0.000 0.207 248 Q C 2.480 178.499 176.000 0.031 0.000 0.993 248 Q CA 1.749 57.576 55.803 0.041 0.000 0.850 248 Q CB -0.444 28.314 28.738 0.032 0.000 0.916 248 Q HN 0.687 nan 8.270 nan 0.000 0.417 249 A N 1.103 123.938 122.820 0.024 0.000 1.902 249 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 249 A C 1.267 178.861 177.584 0.015 0.000 1.181 249 A CA 1.008 53.052 52.037 0.011 0.000 0.623 249 A CB -0.716 18.282 19.000 -0.003 0.000 0.818 249 A HN 0.399 nan 8.150 nan 0.000 0.443 250 A N 0.093 122.931 122.820 0.031 0.000 2.462 250 A HA 0.440 4.760 4.320 -0.000 0.000 0.243 250 A C -0.728 176.883 177.584 0.044 0.000 1.076 250 A CA -0.484 51.578 52.037 0.041 0.000 0.773 250 A CB 0.138 19.181 19.000 0.072 0.000 1.010 250 A HN 0.328 nan 8.150 nan 0.000 0.493 251 P HA 0.023 nan 4.420 nan 0.000 0.230 251 P C 0.283 177.614 177.300 0.052 0.000 1.168 251 P CA 0.732 63.854 63.100 0.037 0.000 0.793 251 P CB 0.051 31.766 31.700 0.025 0.000 0.851 252 M N -0.119 119.523 119.600 0.070 0.000 2.705 252 M HA 0.639 5.119 4.480 -0.000 0.000 0.311 252 M C -3.129 173.243 176.300 0.120 0.000 1.214 252 M CA -2.791 52.563 55.300 0.091 0.000 0.920 252 M CB 0.699 33.355 32.600 0.094 0.000 1.687 252 M HN -0.346 nan 8.290 nan 0.000 0.481 253 P HA 0.352 nan 4.420 nan 0.000 0.278 253 P C -0.981 176.437 177.300 0.197 0.000 1.238 253 P CA -0.430 62.761 63.100 0.151 0.000 0.794 253 P CB 0.815 32.599 31.700 0.141 0.000 0.955 254 L N 1.888 123.212 121.223 0.168 0.000 2.399 254 L HA 0.623 4.962 4.340 -0.000 0.000 0.266 254 L C 0.683 177.610 176.870 0.095 0.000 1.114 254 L CA -0.246 54.714 54.840 0.200 0.000 0.804 254 L CB 0.413 42.633 42.059 0.268 0.000 1.146 254 L HN 0.539 nan 8.230 nan 0.000 0.451 255 A N 0.749 123.610 122.820 0.068 0.000 2.498 255 A HA 0.973 5.293 4.320 -0.000 0.000 0.298 255 A C -0.384 177.148 177.584 -0.087 0.000 1.075 255 A CA 0.125 52.065 52.037 -0.163 0.000 0.714 255 A CB 1.866 20.509 19.000 -0.596 0.000 1.299 255 A HN 0.859 nan 8.150 nan 0.000 0.407 256 G N -1.613 107.091 108.800 -0.159 0.000 2.466 256 G HA2 0.640 4.600 3.960 -0.000 0.000 0.291 256 G HA3 0.640 4.600 3.960 -0.000 0.000 0.291 256 G C 0.079 174.919 174.900 -0.101 0.000 1.460 256 G CA 0.576 45.597 45.100 -0.131 0.000 0.791 256 G HN 2.187 nan 8.290 nan 0.000 0.505 257 G N -0.588 108.175 108.800 -0.062 0.000 3.511 257 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.218 257 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.218 257 G C 1.047 176.011 174.900 0.107 0.000 1.001 257 G CA 1.202 46.354 45.100 0.086 0.000 0.877 257 G HN 1.111 nan 8.290 nan 0.000 0.450 258 E N 1.551 121.801 120.200 0.083 0.000 2.187 258 E HA -0.126 4.224 4.350 -0.000 0.000 0.199 258 E C 1.358 177.946 176.600 -0.020 0.000 1.004 258 E CA 2.116 58.592 56.400 0.126 0.000 0.813 258 E CB -0.471 29.336 29.700 0.179 0.000 0.736 258 E HN 0.661 nan 8.360 nan 0.000 0.468 259 N N -0.764 117.890 118.700 -0.077 0.000 2.338 259 N HA 0.289 5.029 4.740 -0.000 0.000 0.251 259 N C -0.914 174.455 175.510 -0.235 0.000 1.199 259 N CA -0.234 52.729 53.050 -0.145 0.000 0.879 259 N CB 0.807 39.229 38.487 -0.109 0.000 1.159 259 N HN 0.082 nan 8.380 nan 0.000 0.514 260 I N 0.926 121.301 120.570 -0.324 0.000 2.474 260 I HA 0.681 4.851 4.170 -0.000 0.000 0.294 260 I C -0.563 175.127 176.117 -0.713 0.000 1.005 260 I CA -0.914 59.985 61.300 -0.669 0.000 1.113 260 I CB 1.856 39.180 38.000 -1.127 0.000 1.289 260 I HN -0.056 nan 8.210 nan 0.000 0.436 261 A N 4.184 126.546 122.820 -0.764 0.000 2.520 261 A HA 0.901 5.221 4.320 -0.000 0.000 0.298 261 A C -0.346 176.639 177.584 -0.999 0.000 1.051 261 A CA -0.140 51.382 52.037 -0.859 0.000 0.690 261 A CB 1.681 20.429 19.000 -0.421 0.000 1.281 261 A HN 1.189 nan 8.150 nan 0.000 0.402 262 G N -0.327 107.453 108.800 -1.699 0.000 2.697 262 G HA2 0.256 4.216 3.960 -0.000 0.000 0.686 262 G HA3 0.256 4.216 3.960 -0.000 0.000 0.686 262 G C 0.546 175.185 174.900 -0.436 0.000 1.179 262 G CA 0.165 44.849 45.100 -0.692 0.000 0.765 262 G HN 2.053 nan 8.290 nan 0.000 0.649 263 V N 1.825 121.760 119.914 0.036 0.000 2.343 263 V HA 0.068 4.188 4.120 -0.000 0.000 0.247 263 V C 3.020 179.133 176.094 0.032 0.000 1.051 263 V CA 3.478 65.859 62.300 0.134 0.000 1.036 263 V CB -0.845 31.121 31.823 0.239 0.000 0.654 263 V HN 2.267 nan 8.190 nan 0.000 0.451 264 A N 0.022 122.833 122.820 -0.015 0.000 1.883 264 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 264 A C 2.479 179.995 177.584 -0.113 0.000 1.186 264 A CA 2.460 54.469 52.037 -0.046 0.000 0.624 264 A CB -1.202 17.770 19.000 -0.046 0.000 0.822 264 A HN 0.908 nan 8.150 nan 0.000 0.444 265 A N -1.198 121.491 122.820 -0.218 0.000 1.877 265 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 265 A C 1.952 179.320 177.584 -0.361 0.000 1.186 265 A CA 1.657 53.491 52.037 -0.338 0.000 0.620 265 A CB -0.802 17.891 19.000 -0.511 0.000 0.822 265 A HN 0.454 nan 8.150 nan 0.000 0.443 266 F N -0.206 119.592 119.950 -0.254 0.000 2.216 266 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 266 F C 2.354 178.072 175.800 -0.136 0.000 1.085 266 F CA 1.651 59.528 58.000 -0.204 0.000 1.326 266 F CB -0.360 38.515 39.000 -0.209 0.000 1.027 266 F HN 0.258 nan 8.300 nan 0.000 0.497 267 E N -0.327 119.903 120.200 0.051 0.000 2.106 267 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 267 E C 2.191 178.780 176.600 -0.020 0.000 0.984 267 E CA 1.692 58.105 56.400 0.022 0.000 0.806 267 E CB -0.352 29.357 29.700 0.016 0.000 0.750 267 E HN 0.189 nan 8.360 nan 0.000 0.458 268 T N -0.169 114.348 114.554 -0.062 0.000 2.770 268 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 268 T C 1.806 176.449 174.700 -0.094 0.000 1.039 268 T CA 1.223 63.276 62.100 -0.078 0.000 1.142 268 T CB -0.368 68.437 68.868 -0.105 0.000 0.868 268 T HN 0.292 nan 8.240 nan 0.000 0.435 269 A N 1.457 124.196 122.820 -0.135 0.000 1.902 269 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 269 A C 2.228 179.763 177.584 -0.081 0.000 1.181 269 A CA 1.253 53.195 52.037 -0.158 0.000 0.623 269 A CB -0.866 18.000 19.000 -0.224 0.000 0.818 269 A HN 0.387 nan 8.150 nan 0.000 0.443 270 L N -0.089 121.116 121.223 -0.030 0.000 2.012 270 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 270 L C 2.672 179.534 176.870 -0.014 0.000 1.073 270 L CA 2.333 57.169 54.840 -0.006 0.000 0.748 270 L CB -0.935 41.135 42.059 0.018 0.000 0.891 270 L HN 0.356 nan 8.230 nan 0.000 0.431 271 A N -0.742 122.067 122.820 -0.018 0.000 1.933 271 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 271 A C 2.415 179.991 177.584 -0.014 0.000 1.175 271 A CA 1.649 53.678 52.037 -0.013 0.000 0.628 271 A CB -1.076 17.916 19.000 -0.014 0.000 0.814 271 A HN 0.566 nan 8.150 nan 0.000 0.444 272 A N -1.090 121.714 122.820 -0.026 0.000 2.015 272 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 272 A C 1.422 179.003 177.584 -0.005 0.000 1.163 272 A CA 1.156 53.182 52.037 -0.018 0.000 0.646 272 A CB -0.375 18.602 19.000 -0.038 0.000 0.806 272 A HN 0.566 nan 8.150 nan 0.000 0.448 273 R N -1.314 119.178 120.500 -0.012 0.000 3.758 273 R HA -0.174 4.166 4.340 -0.000 0.000 0.299 273 R C 1.142 177.452 176.300 0.017 0.000 1.182 273 R CA 0.598 56.698 56.100 0.001 0.000 0.809 273 R CB -2.477 27.830 30.300 0.011 0.000 1.249 273 R HN 0.503 nan 8.270 nan 0.000 0.497 274 S N 0.121 115.830 115.700 0.015 0.000 2.414 274 S HA 0.057 4.527 4.470 -0.000 0.000 0.227 274 S C 0.912 175.555 174.600 0.072 0.000 1.022 274 S CA 0.566 58.810 58.200 0.073 0.000 0.958 274 S CB 0.220 63.493 63.200 0.123 0.000 0.797 274 S HN 0.254 nan 8.310 nan 0.000 0.493 275 L N 2.310 123.526 121.223 -0.012 0.000 2.262 275 L HA 0.402 4.742 4.340 -0.000 0.000 0.288 275 L C 0.986 177.842 176.870 -0.023 0.000 1.035 275 L CA -0.347 54.476 54.840 -0.029 0.000 0.820 275 L CB 1.037 43.018 42.059 -0.131 0.000 1.204 275 L HN 0.049 nan 8.230 nan 0.000 0.424 276 R N 2.045 122.544 120.500 -0.001 0.000 2.317 276 R HA 0.195 4.535 4.340 -0.000 0.000 0.208 276 R C -0.421 175.851 176.300 -0.046 0.000 0.914 276 R CA 0.151 56.250 56.100 -0.003 0.000 1.060 276 R CB 0.466 30.786 30.300 0.032 0.000 1.015 276 R HN 0.330 nan 8.270 nan 0.000 0.498 277 V N 1.899 121.740 119.914 -0.121 0.000 2.447 277 V HA 0.264 4.384 4.120 -0.000 0.000 0.292 277 V C -0.715 175.231 176.094 -0.246 0.000 1.021 277 V CA -0.619 61.525 62.300 -0.259 0.000 0.850 277 V CB 1.668 33.145 31.823 -0.576 0.000 1.005 277 V HN 0.067 nan 8.190 nan 0.000 0.426 278 M N 4.017 123.539 119.600 -0.130 0.000 2.209 278 M HA 0.471 4.951 4.480 -0.000 0.000 0.355 278 M C -0.030 176.254 176.300 -0.027 0.000 1.171 278 M CA 0.324 55.601 55.300 -0.039 0.000 1.069 278 M CB 1.500 34.133 32.600 0.054 0.000 1.622 278 M HN 0.578 nan 8.290 nan 0.000 0.459 279 Q N 5.030 124.825 119.800 -0.008 0.000 2.943 279 Q HA 0.337 4.677 4.340 -0.000 0.000 0.327 279 Q C -2.395 173.711 176.000 0.177 0.000 0.937 279 Q CA -1.779 54.028 55.803 0.006 0.000 0.914 279 Q CB 0.513 29.140 28.738 -0.187 0.000 1.339 279 Q HN 0.372 nan 8.270 nan 0.000 0.417 280 P HA -0.020 nan 4.420 nan 0.000 0.276 280 P C -0.665 176.799 177.300 0.273 0.000 1.230 280 P CA 0.012 63.245 63.100 0.221 0.000 0.776 280 P CB 1.113 32.700 31.700 -0.188 0.000 0.888 281 D N 3.471 124.041 120.400 0.284 0.000 2.443 281 D HA 0.079 4.718 4.640 -0.000 0.000 0.221 281 D C 1.402 177.782 176.300 0.134 0.000 1.097 281 D CA -0.501 53.636 54.000 0.228 0.000 0.865 281 D CB 0.636 41.556 40.800 0.199 0.000 1.034 281 D HN 0.312 nan 8.370 nan 0.000 0.511 282 L N 2.113 123.348 121.223 0.021 0.000 2.353 282 L HA 0.022 4.362 4.340 -0.000 0.000 0.220 282 L C 1.457 178.214 176.870 -0.188 0.000 1.133 282 L CA 1.276 56.028 54.840 -0.146 0.000 0.798 282 L CB -0.101 41.758 42.059 -0.333 0.000 0.922 282 L HN 0.279 nan 8.230 nan 0.000 0.445 283 A N -0.294 122.447 122.820 -0.133 0.000 2.238 283 A HA 0.036 4.356 4.320 -0.000 0.000 0.210 283 A C 2.253 179.919 177.584 0.137 0.000 1.179 283 A CA 0.536 52.522 52.037 -0.084 0.000 0.827 283 A CB -0.119 18.719 19.000 -0.270 0.000 0.856 283 A HN 0.488 nan 8.150 nan 0.000 0.488 284 K N -2.706 117.769 120.400 0.125 0.000 2.313 284 K HA 0.165 4.485 4.320 -0.000 0.000 0.197 284 K C -0.371 176.342 176.600 0.189 0.000 1.061 284 K CA 0.173 56.514 56.287 0.091 0.000 0.980 284 K CB 0.385 32.762 32.500 -0.204 0.000 0.888 284 K HN 0.481 nan 8.250 nan 0.000 0.502 285 W N -1.052 120.259 121.300 0.020 0.000 3.372 285 W HA 0.337 4.996 4.660 -0.000 0.000 0.315 285 W C 0.334 176.871 176.519 0.030 0.000 1.223 285 W CA 0.148 57.537 57.345 0.074 0.000 1.202 285 W CB 1.079 30.616 29.460 0.127 0.000 1.367 285 W HN 0.227 nan 8.180 nan 0.000 0.531 286 G N 2.499 110.462 108.800 -1.395 0.000 2.448 286 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.257 286 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.257 286 G C 1.294 175.557 174.900 -1.061 0.000 0.997 286 G CA 1.782 45.892 45.100 -1.650 0.000 0.635 286 G HN 2.238 nan 8.290 nan 0.000 0.556 287 G N -0.695 107.729 108.800 -0.627 0.000 2.582 287 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.288 287 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.288 287 G C 0.693 175.259 174.900 -0.556 0.000 1.247 287 G CA 0.933 45.699 45.100 -0.557 0.000 0.972 287 G HN 0.961 nan 8.290 nan 0.000 0.557 288 F N 1.045 120.834 119.950 -0.268 0.000 2.187 288 F HA 0.085 4.612 4.527 -0.000 0.000 0.295 288 F C 3.192 178.839 175.800 -0.256 0.000 1.091 288 F CA 1.905 59.802 58.000 -0.172 0.000 1.308 288 F CB -0.696 38.291 39.000 -0.022 0.000 1.030 288 F HN 0.317 nan 8.300 nan 0.000 0.487 289 S N -0.067 115.513 115.700 -0.200 0.000 2.383 289 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 289 S C 2.376 176.690 174.600 -0.478 0.000 1.030 289 S CA 1.328 59.332 58.200 -0.326 0.000 1.002 289 S CB -0.993 61.941 63.200 -0.443 0.000 0.829 289 S HN 0.503 nan 8.310 nan 0.000 0.467 290 G N -0.002 108.292 108.800 -0.844 0.000 2.437 290 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 290 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 290 G C 1.499 176.218 174.900 -0.301 0.000 1.174 290 G CA 0.778 45.420 45.100 -0.763 0.000 0.811 290 G HN 0.576 nan 8.290 nan 0.000 0.537 291 C N 0.200 119.324 119.300 -0.294 0.000 2.450 291 C HA 0.132 4.592 4.460 -0.000 0.000 0.279 291 C C 2.648 177.544 174.990 -0.156 0.000 1.335 291 C CA 0.277 59.212 59.018 -0.139 0.000 1.749 291 C CB -0.833 26.830 27.740 -0.129 0.000 1.963 291 C HN 0.424 nan 8.230 nan 0.000 0.501 292 L N 3.086 124.254 121.223 -0.093 0.000 1.978 292 L HA -0.114 4.226 4.340 -0.000 0.000 0.218 292 L C -0.284 176.517 176.870 -0.116 0.000 1.075 292 L CA 2.639 57.435 54.840 -0.073 0.000 0.767 292 L CB -1.804 40.253 42.059 -0.004 0.000 0.890 292 L HN 0.142 nan 8.230 nan 0.000 0.434 293 P HA -0.142 nan 4.420 nan 0.000 0.218 293 P C 1.937 179.187 177.300 -0.083 0.000 1.149 293 P CA 2.105 65.170 63.100 -0.059 0.000 0.817 293 P CB -0.357 31.338 31.700 -0.009 0.000 0.785 294 V N -1.327 118.519 119.914 -0.113 0.000 2.591 294 V HA -0.004 4.116 4.120 -0.000 0.000 0.249 294 V C 2.401 178.338 176.094 -0.262 0.000 1.053 294 V CA 1.738 63.933 62.300 -0.175 0.000 1.068 294 V CB -1.583 30.048 31.823 -0.321 0.000 0.689 294 V HN 0.034 nan 8.190 nan 0.000 0.462 295 A N 0.761 123.346 122.820 -0.391 0.000 1.902 295 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 295 A C 2.387 179.781 177.584 -0.317 0.000 1.181 295 A CA 1.915 53.575 52.037 -0.628 0.000 0.623 295 A CB -0.634 17.702 19.000 -1.107 0.000 0.818 295 A HN 0.583 nan 8.150 nan 0.000 0.443 296 R N -0.590 119.784 120.500 -0.211 0.000 2.096 296 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 296 R C 2.410 178.666 176.300 -0.073 0.000 1.127 296 R CA 1.188 57.222 56.100 -0.109 0.000 0.968 296 R CB -0.411 29.842 30.300 -0.079 0.000 0.861 296 R HN 0.524 nan 8.270 nan 0.000 0.440 297 A N 0.401 123.176 122.820 -0.076 0.000 1.930 297 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 297 A C 2.283 179.848 177.584 -0.032 0.000 1.175 297 A CA 1.119 53.131 52.037 -0.041 0.000 0.627 297 A CB -0.320 18.662 19.000 -0.031 0.000 0.815 297 A HN 0.106 nan 8.150 nan 0.000 0.443 298 V N -0.467 119.417 119.914 -0.049 0.000 2.270 298 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 298 V C 2.574 178.672 176.094 0.006 0.000 1.043 298 V CA 2.001 64.291 62.300 -0.015 0.000 1.014 298 V CB -0.831 30.989 31.823 -0.005 0.000 0.645 298 V HN 0.355 nan 8.190 nan 0.000 0.447 299 V N 0.422 120.341 119.914 0.007 0.000 2.332 299 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 299 V C 2.688 178.790 176.094 0.015 0.000 1.055 299 V CA 2.117 64.433 62.300 0.026 0.000 1.038 299 V CB -1.139 30.704 31.823 0.032 0.000 0.651 299 V HN 0.568 nan 8.190 nan 0.000 0.450 300 A N -0.238 122.582 122.820 0.001 0.000 2.015 300 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 300 A C 2.191 179.778 177.584 0.005 0.000 1.163 300 A CA 1.583 53.621 52.037 0.002 0.000 0.646 300 A CB -0.505 18.492 19.000 -0.005 0.000 0.806 300 A HN 0.595 nan 8.150 nan 0.000 0.448 301 A N -1.741 121.081 122.820 0.005 0.000 2.238 301 A HA 0.413 4.733 4.320 -0.000 0.000 0.208 301 A C 1.747 179.338 177.584 0.012 0.000 1.177 301 A CA 1.144 53.185 52.037 0.007 0.000 0.804 301 A CB -0.941 18.062 19.000 0.005 0.000 0.823 301 A HN 1.813 nan 8.150 nan 0.000 0.482 302 G N -1.553 107.256 108.800 0.015 0.000 2.157 302 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 302 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 302 G C 0.182 175.096 174.900 0.023 0.000 0.979 302 G CA 0.455 45.567 45.100 0.020 0.000 0.650 302 G HN 0.429 nan 8.290 nan 0.000 0.529 303 L N -0.931 120.306 121.223 0.022 0.000 0.000 303 L HA 0.699 5.039 4.340 -0.000 0.000 0.000 303 L C 1.084 177.973 176.870 0.031 0.000 0.000 303 L CA -1.164 53.689 54.840 0.021 0.000 0.000 303 L CB 0.841 42.907 42.059 0.012 0.000 0.000 303 L HN 0.128 nan 8.230 nan 0.000 0.000 304 R N 0.114 120.624 120.500 0.017 0.000 2.387 304 R HA 0.270 4.610 4.340 -0.000 0.000 0.314 304 R C -1.600 174.712 176.300 0.020 0.000 0.958 304 R CA -0.579 55.531 56.100 0.017 0.000 0.846 304 R CB 1.048 31.340 30.300 -0.013 0.000 1.147 304 R HN 0.434 nan 8.270 nan 0.000 0.447 305 Y N 4.745 125.010 120.300 -0.058 0.000 2.353 305 Y HA 0.376 4.926 4.550 -0.000 0.000 0.340 305 Y C -1.252 174.622 175.900 -0.044 0.000 0.972 305 Y CA -1.157 56.906 58.100 -0.062 0.000 1.157 305 Y CB 0.886 39.328 38.460 -0.031 0.000 1.157 305 Y HN 0.545 nan 8.280 nan 0.000 0.495 306 C N 10.141 129.094 119.300 -0.578 0.000 2.801 306 C HA 0.371 4.831 4.460 -0.000 0.000 0.296 306 C C -2.316 172.437 174.990 -0.395 0.000 1.054 306 C CA -1.316 57.403 59.018 -0.499 0.000 1.442 306 C CB 0.440 27.991 27.740 -0.315 0.000 1.860 306 C HN 0.693 nan 8.230 nan 0.000 0.459 307 P HA 0.347 nan 4.420 nan 0.000 0.275 307 P C -0.990 176.432 177.300 0.204 0.000 1.266 307 P CA 0.514 63.587 63.100 -0.045 0.000 0.793 307 P CB 0.923 32.616 31.700 -0.012 0.000 1.074 308 H N -2.011 117.118 119.070 0.099 0.000 3.068 308 H HA 0.473 5.029 4.556 -0.000 0.000 0.342 308 H C -2.322 173.149 175.328 0.237 0.000 1.284 308 H CA -0.785 55.332 56.048 0.115 0.000 1.181 308 H CB 0.515 30.365 29.762 0.146 0.000 1.898 308 H HN 0.423 nan 8.280 nan 0.000 0.540 309 Y N 2.810 123.006 120.300 -0.173 0.000 2.362 309 Y HA 0.355 4.905 4.550 -0.000 0.000 0.326 309 Y C -1.400 174.448 175.900 -0.087 0.000 1.083 309 Y CA -1.280 56.718 58.100 -0.169 0.000 1.073 309 Y CB 1.307 39.742 38.460 -0.041 0.000 1.211 309 Y HN 0.570 nan 8.280 nan 0.000 0.433 310 L N 6.417 127.229 121.223 -0.686 0.000 3.073 310 L HA 0.510 4.850 4.340 -0.000 0.000 0.242 310 L C 0.751 177.281 176.870 -0.567 0.000 1.317 310 L CA 0.170 54.753 54.840 -0.428 0.000 1.081 310 L CB -0.509 41.454 42.059 -0.159 0.000 1.456 310 L HN 0.830 nan 8.230 nan 0.000 0.525 311 G N -0.750 107.514 108.800 -0.894 0.000 3.234 311 G HA2 0.711 4.671 3.960 -0.000 0.000 0.159 311 G HA3 0.711 4.671 3.960 -0.000 0.000 0.159 311 G C -0.436 174.416 174.900 -0.080 0.000 1.175 311 G CA 0.144 44.961 45.100 -0.471 0.000 0.900 311 G HN 0.287 nan 8.290 nan 0.000 0.621 312 A N -1.041 121.851 122.820 0.119 0.000 2.280 312 A HA 0.547 4.867 4.320 -0.000 0.000 0.268 312 A C 1.838 179.511 177.584 0.149 0.000 1.111 312 A CA 0.750 52.840 52.037 0.088 0.000 0.814 312 A CB 0.021 19.059 19.000 0.064 0.000 1.093 312 A HN 1.448 nan 8.150 nan 0.000 0.498 313 G N -0.409 108.420 108.800 0.049 0.000 2.442 313 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 313 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 313 G C 1.160 176.099 174.900 0.064 0.000 1.141 313 G CA 1.316 46.444 45.100 0.048 0.000 0.763 313 G HN 0.572 nan 8.290 nan 0.000 0.554 314 I N 1.844 122.441 120.570 0.045 0.000 2.163 314 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 314 I C 3.002 179.121 176.117 0.004 0.000 1.085 314 I CA 1.534 62.858 61.300 0.040 0.000 1.347 314 I CB -1.655 36.377 38.000 0.054 0.000 1.044 314 I HN 0.237 nan 8.210 nan 0.000 0.408 315 G N 0.725 109.487 108.800 -0.065 0.000 2.422 315 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 315 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 315 G C 1.773 176.536 174.900 -0.228 0.000 1.140 315 G CA 0.361 45.172 45.100 -0.480 0.000 0.775 315 G HN 0.295 nan 8.290 nan 0.000 0.545 316 L N 0.207 121.505 121.223 0.126 0.000 2.027 316 L HA 0.001 4.341 4.340 -0.000 0.000 0.206 316 L C 2.875 179.803 176.870 0.097 0.000 1.074 316 L CA 1.646 56.585 54.840 0.165 0.000 0.745 316 L CB -0.456 41.702 42.059 0.165 0.000 0.898 316 L HN 0.137 nan 8.230 nan 0.000 0.433 317 Q N -0.327 119.533 119.800 0.100 0.000 2.096 317 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 317 Q C 2.269 178.435 176.000 0.276 0.000 0.982 317 Q CA 1.737 57.629 55.803 0.149 0.000 0.850 317 Q CB -0.626 28.220 28.738 0.180 0.000 0.901 317 Q HN 0.669 nan 8.270 nan 0.000 0.422 318 A N 1.016 123.968 122.820 0.221 0.000 1.865 318 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 318 A C 2.456 180.203 177.584 0.271 0.000 1.191 318 A CA 2.060 54.269 52.037 0.287 0.000 0.623 318 A CB -0.626 18.351 19.000 -0.039 0.000 0.826 318 A HN 0.373 nan 8.150 nan 0.000 0.444 319 S N 0.151 115.911 115.700 0.100 0.000 2.382 319 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 319 S C 2.236 176.949 174.600 0.189 0.000 1.027 319 S CA 1.111 59.389 58.200 0.131 0.000 0.991 319 S CB -0.502 62.756 63.200 0.096 0.000 0.823 319 S HN 0.817 nan 8.310 nan 0.000 0.469 320 A N 1.922 124.824 122.820 0.136 0.000 1.902 320 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 320 A C 1.925 179.556 177.584 0.080 0.000 1.181 320 A CA 1.346 53.414 52.037 0.052 0.000 0.623 320 A CB -0.819 18.148 19.000 -0.055 0.000 0.818 320 A HN 0.532 nan 8.150 nan 0.000 0.443 321 H N -1.374 117.853 119.070 0.261 0.000 2.389 321 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 321 H C 2.078 177.610 175.328 0.339 0.000 1.081 321 H CA 1.723 57.964 56.048 0.321 0.000 1.345 321 H CB -0.238 29.705 29.762 0.303 0.000 1.393 321 H HN 0.425 nan 8.280 nan 0.000 0.520 322 L N 0.871 122.418 121.223 0.539 0.000 2.056 322 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 322 L C 2.345 179.445 176.870 0.385 0.000 1.078 322 L CA 1.065 56.194 54.840 0.482 0.000 0.749 322 L CB -0.822 41.540 42.059 0.506 0.000 0.901 322 L HN 0.098 nan 8.230 nan 0.000 0.433 323 L N 0.025 121.459 121.223 0.352 0.000 2.046 323 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 323 L C 2.506 179.499 176.870 0.206 0.000 1.077 323 L CA 2.097 57.120 54.840 0.304 0.000 0.747 323 L CB -1.233 40.906 42.059 0.133 0.000 0.896 323 L HN 0.290 nan 8.230 nan 0.000 0.432 324 A N -0.430 122.483 122.820 0.156 0.000 1.908 324 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 324 A C 2.436 180.109 177.584 0.148 0.000 1.181 324 A CA 1.944 54.029 52.037 0.080 0.000 0.627 324 A CB -1.206 17.801 19.000 0.012 0.000 0.818 324 A HN 0.577 nan 8.150 nan 0.000 0.445 325 A N -1.178 121.783 122.820 0.235 0.000 2.015 325 A HA 0.237 4.557 4.320 -0.000 0.000 0.219 325 A C 0.889 178.555 177.584 0.137 0.000 1.163 325 A CA 1.521 53.681 52.037 0.205 0.000 0.646 325 A CB -0.205 18.917 19.000 0.202 0.000 0.806 325 A HN 0.627 nan 8.150 nan 0.000 0.448 326 V N 1.018 121.027 119.914 0.158 0.000 2.384 326 V HA 0.179 4.299 4.120 -0.000 0.000 0.257 326 V C -1.951 174.266 176.094 0.204 0.000 0.969 326 V CA -0.570 61.807 62.300 0.128 0.000 0.910 326 V CB 1.261 33.102 31.823 0.030 0.000 1.150 326 V HN 0.328 nan 8.190 nan 0.000 0.481 327 P HA 0.093 nan 4.420 nan 0.000 0.234 327 P C 0.813 178.176 177.300 0.105 0.000 1.167 327 P CA 1.428 64.595 63.100 0.111 0.000 0.763 327 P CB 0.553 32.288 31.700 0.058 0.000 0.835 328 G N -0.573 108.293 108.800 0.110 0.000 2.746 328 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.685 328 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.685 328 G C -0.189 174.746 174.900 0.058 0.000 1.350 328 G CA -0.419 44.735 45.100 0.090 0.000 0.837 328 G HN 0.187 nan 8.290 nan 0.000 0.564 329 L N 0.261 121.512 121.223 0.048 0.000 3.058 329 L HA 0.512 4.852 4.340 -0.000 0.000 0.179 329 L C 3.083 179.973 176.870 0.033 0.000 1.400 329 L CA 0.633 55.495 54.840 0.035 0.000 1.241 329 L CB -0.982 41.094 42.059 0.029 0.000 1.515 329 L HN 0.943 nan 8.230 nan 0.000 0.724 330 A N -0.769 122.069 122.820 0.032 0.000 2.014 330 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 330 A C 1.177 178.782 177.584 0.036 0.000 1.163 330 A CA 1.008 53.064 52.037 0.030 0.000 0.652 330 A CB -0.307 18.710 19.000 0.028 0.000 0.808 330 A HN 0.367 nan 8.150 nan 0.000 0.449 331 S N 1.775 117.500 115.700 0.042 0.000 2.328 331 S HA 0.377 4.847 4.470 -0.000 0.000 0.204 331 S C -2.687 171.946 174.600 0.056 0.000 1.475 331 S CA -1.170 57.060 58.200 0.050 0.000 1.148 331 S CB 0.866 64.097 63.200 0.052 0.000 1.077 331 S HN 0.386 nan 8.310 nan 0.000 0.479 332 P HA 0.159 nan 4.420 nan 0.000 0.269 332 P C 0.249 177.586 177.300 0.062 0.000 1.217 332 P CA 0.017 63.149 63.100 0.054 0.000 0.783 332 P CB 0.545 32.270 31.700 0.042 0.000 0.898 333 G N 1.316 110.149 108.800 0.056 0.000 2.432 333 G HA2 0.557 4.516 3.960 -0.000 0.000 0.331 333 G HA3 0.557 4.516 3.960 -0.000 0.000 0.331 333 G C -1.291 173.644 174.900 0.058 0.000 1.170 333 G CA -0.459 44.660 45.100 0.033 0.000 0.943 333 G HN 0.330 nan 8.290 nan 0.000 0.483 334 L N 0.805 122.101 121.223 0.122 0.000 2.333 334 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 334 L C -0.062 176.950 176.870 0.237 0.000 1.010 334 L CA -1.166 53.804 54.840 0.217 0.000 0.818 334 L CB 1.747 44.030 42.059 0.374 0.000 1.306 334 L HN 0.347 nan 8.230 nan 0.000 0.430 335 L N 1.864 123.170 121.223 0.139 0.000 2.272 335 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 335 L C 0.312 177.058 176.870 -0.206 0.000 1.032 335 L CA -0.325 54.532 54.840 0.029 0.000 0.810 335 L CB 1.277 43.343 42.059 0.012 0.000 1.205 335 L HN 0.740 nan 8.230 nan 0.000 0.422 336 G N 5.135 113.695 108.800 -0.399 0.000 2.360 336 G HA2 0.405 4.365 3.960 -0.000 0.000 0.279 336 G HA3 0.405 4.365 3.960 -0.000 0.000 0.279 336 G C -0.541 174.130 174.900 -0.382 0.000 1.189 336 G CA -0.263 44.226 45.100 -1.019 0.000 0.941 336 G HN 0.452 nan 8.290 nan 0.000 0.445 337 V N 3.526 123.228 119.914 -0.353 0.000 2.417 337 V HA 0.133 4.253 4.120 -0.000 0.000 0.291 337 V C 0.029 176.041 176.094 -0.136 0.000 1.024 337 V CA -1.009 61.218 62.300 -0.123 0.000 0.861 337 V CB 1.644 33.488 31.823 0.035 0.000 0.985 337 V HN 0.815 nan 8.190 nan 0.000 0.436 338 D N 4.131 124.481 120.400 -0.084 0.000 2.502 338 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 338 D C 1.096 177.349 176.300 -0.079 0.000 1.188 338 D CA 0.650 54.611 54.000 -0.066 0.000 0.890 338 D CB 1.517 42.278 40.800 -0.065 0.000 1.140 338 D HN 0.676 nan 8.370 nan 0.000 0.505 339 A N 4.262 127.032 122.820 -0.083 0.000 2.172 339 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 339 A C 0.761 178.317 177.584 -0.047 0.000 1.154 339 A CA 0.324 52.300 52.037 -0.102 0.000 0.701 339 A CB -0.389 18.564 19.000 -0.079 0.000 0.789 339 A HN 0.623 nan 8.150 nan 0.000 0.465 340 N N 1.386 120.072 118.700 -0.025 0.000 2.514 340 N HA 0.365 5.105 4.740 -0.000 0.000 0.277 340 N C -1.023 174.478 175.510 -0.014 0.000 1.126 340 N CA -0.259 52.786 53.050 -0.008 0.000 0.978 340 N CB 0.461 38.952 38.487 0.006 0.000 1.106 340 N HN 0.182 nan 8.380 nan 0.000 0.461 341 D N 0.843 121.242 120.400 -0.002 0.000 2.548 341 D HA 0.017 4.657 4.640 -0.000 0.000 0.231 341 D C -0.026 176.250 176.300 -0.040 0.000 1.142 341 D CA 1.033 55.025 54.000 -0.013 0.000 0.866 341 D CB 0.122 40.932 40.800 0.016 0.000 1.190 341 D HN 0.512 nan 8.370 nan 0.000 0.469 342 N N 1.808 120.432 118.700 -0.127 0.000 3.507 342 N HA 0.050 4.790 4.740 -0.000 0.000 0.212 342 N C -2.490 172.827 175.510 -0.321 0.000 1.340 342 N CA -0.999 51.909 53.050 -0.237 0.000 0.844 342 N CB 1.000 39.412 38.487 -0.126 0.000 1.647 342 N HN 0.006 nan 8.380 nan 0.000 0.694 343 P HA -0.134 nan 4.420 nan 0.000 0.217 343 P C 1.265 178.386 177.300 -0.299 0.000 1.148 343 P CA 0.880 63.731 63.100 -0.416 0.000 0.828 343 P CB 0.295 31.651 31.700 -0.573 0.000 0.783 344 L N -1.539 119.502 121.223 -0.303 0.000 2.450 344 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 344 L C 2.612 179.403 176.870 -0.132 0.000 1.149 344 L CA 1.010 55.732 54.840 -0.196 0.000 0.816 344 L CB -0.378 41.605 42.059 -0.127 0.000 0.932 344 L HN 0.026 nan 8.230 nan 0.000 0.449 345 R N -0.256 120.170 120.500 -0.122 0.000 2.084 345 R HA -0.052 4.288 4.340 -0.000 0.000 0.209 345 R C 2.511 178.774 176.300 -0.063 0.000 1.173 345 R CA 1.166 57.227 56.100 -0.064 0.000 1.053 345 R CB -0.097 30.174 30.300 -0.050 0.000 0.948 345 R HN 0.296 nan 8.270 nan 0.000 0.460 346 S N 1.094 116.747 115.700 -0.077 0.000 2.419 346 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 346 S C 2.084 176.637 174.600 -0.079 0.000 1.016 346 S CA 0.880 59.042 58.200 -0.063 0.000 0.974 346 S CB -0.405 62.758 63.200 -0.061 0.000 0.786 346 S HN 0.308 nan 8.310 nan 0.000 0.492 347 L N -0.169 120.987 121.223 -0.113 0.000 2.217 347 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 347 L C 1.469 178.263 176.870 -0.127 0.000 1.107 347 L CA 0.860 55.624 54.840 -0.126 0.000 0.783 347 L CB -0.149 41.811 42.059 -0.164 0.000 0.919 347 L HN 0.308 nan 8.230 nan 0.000 0.442 348 L N -1.974 119.179 121.223 -0.116 0.000 3.014 348 L HA 0.184 4.524 4.340 -0.000 0.000 0.263 348 L C 0.605 177.441 176.870 -0.057 0.000 1.207 348 L CA 0.048 54.822 54.840 -0.111 0.000 1.017 348 L CB 0.757 42.735 42.059 -0.136 0.000 1.360 348 L HN -0.074 nan 8.230 nan 0.000 0.560 349 S N 0.569 116.246 115.700 -0.040 0.000 2.204 349 S HA 0.297 4.767 4.470 -0.000 0.000 0.147 349 S C -1.565 173.028 174.600 -0.012 0.000 1.711 349 S CA -1.106 57.089 58.200 -0.009 0.000 1.274 349 S CB 0.494 63.699 63.200 0.008 0.000 1.257 349 S HN -0.013 nan 8.310 nan 0.000 0.404 350 P HA -0.146 nan 4.420 nan 0.000 0.217 350 P C 1.441 178.735 177.300 -0.010 0.000 1.148 350 P CA 1.412 64.504 63.100 -0.014 0.000 0.828 350 P CB 0.033 31.729 31.700 -0.008 0.000 0.783 351 A N 0.438 123.256 122.820 -0.004 0.000 1.940 351 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 351 A C 2.419 179.986 177.584 -0.030 0.000 1.176 351 A CA 1.306 53.332 52.037 -0.018 0.000 0.631 351 A CB -1.640 17.341 19.000 -0.033 0.000 0.814 351 A HN 0.162 nan 8.150 nan 0.000 0.446 352 L N -0.865 120.344 121.223 -0.023 0.000 2.349 352 L HA -0.228 4.112 4.340 -0.000 0.000 0.220 352 L C 2.839 179.686 176.870 -0.039 0.000 1.130 352 L CA 0.756 55.579 54.840 -0.029 0.000 0.791 352 L CB -0.439 41.620 42.059 -0.000 0.000 0.918 352 L HN 0.481 nan 8.230 nan 0.000 0.444 353 A N -0.344 122.458 122.820 -0.030 0.000 2.119 353 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 353 A C 2.231 179.794 177.584 -0.034 0.000 1.153 353 A CA 1.618 53.638 52.037 -0.029 0.000 0.692 353 A CB -0.589 18.396 19.000 -0.024 0.000 0.799 353 A HN 0.501 nan 8.150 nan 0.000 0.458 354 T N -2.643 111.889 114.554 -0.038 0.000 3.129 354 T HA 0.236 4.586 4.350 -0.000 0.000 0.251 354 T C 0.546 175.229 174.700 -0.029 0.000 1.117 354 T CA -0.208 61.871 62.100 -0.034 0.000 1.034 354 T CB -0.593 68.255 68.868 -0.033 0.000 0.968 354 T HN 0.166 nan 8.240 nan 0.000 0.526 355 L N 3.457 124.640 121.223 -0.067 0.000 2.667 355 L HA 0.232 4.572 4.340 -0.000 0.000 0.278 355 L C -0.522 176.337 176.870 -0.018 0.000 1.217 355 L CA 0.649 55.419 54.840 -0.118 0.000 0.935 355 L CB -0.970 40.937 42.059 -0.254 0.000 1.193 355 L HN 0.605 nan 8.230 nan 0.000 0.493 356 H N 5.006 123.996 119.070 -0.134 0.000 3.188 356 H HA 0.239 4.795 4.556 -0.000 0.000 0.325 356 H C -0.333 174.946 175.328 -0.081 0.000 1.033 356 H CA 0.061 56.053 56.048 -0.093 0.000 1.443 356 H CB 0.490 30.212 29.762 -0.066 0.000 1.968 356 H HN 0.751 nan 8.280 nan 0.000 0.449 357 E N 4.121 124.022 120.200 -0.498 0.000 2.442 357 E HA -0.183 4.167 4.350 -0.000 0.000 0.256 357 E C 0.425 176.896 176.600 -0.214 0.000 1.095 357 E CA 1.406 57.566 56.400 -0.401 0.000 0.747 357 E CB -1.693 27.669 29.700 -0.563 0.000 1.310 357 E HN 1.657 nan 8.360 nan 0.000 0.396 358 G N 0.190 108.878 108.800 -0.188 0.000 2.179 358 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 358 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 358 G C 0.183 175.006 174.900 -0.128 0.000 1.010 358 G CA 0.957 45.966 45.100 -0.153 0.000 0.736 358 G HN 0.520 nan 8.290 nan 0.000 0.513 359 R N -0.939 119.481 120.500 -0.134 0.000 2.799 359 R HA 0.816 5.156 4.340 -0.000 0.000 0.270 359 R C 0.024 176.271 176.300 -0.089 0.000 1.010 359 R CA -0.599 55.445 56.100 -0.093 0.000 0.916 359 R CB 1.728 31.987 30.300 -0.068 0.000 1.228 359 R HN 0.547 nan 8.270 nan 0.000 0.469 360 I N -2.432 118.090 120.570 -0.080 0.000 2.994 360 I HA 0.668 4.838 4.170 -0.000 0.000 0.306 360 I C -0.774 175.292 176.117 -0.085 0.000 1.195 360 I CA -0.854 60.401 61.300 -0.075 0.000 1.001 360 I CB 2.724 40.676 38.000 -0.081 0.000 1.244 360 I HN 0.621 nan 8.210 nan 0.000 0.437 361 T N 1.215 115.722 114.554 -0.079 0.000 2.824 361 T HA 0.544 4.893 4.350 -0.000 0.000 0.282 361 T C 0.612 175.262 174.700 -0.083 0.000 0.993 361 T CA -0.827 61.212 62.100 -0.101 0.000 0.967 361 T CB 1.809 70.633 68.868 -0.073 0.000 0.960 361 T HN 0.681 nan 8.240 nan 0.000 0.441 362 L N 2.050 123.201 121.223 -0.120 0.000 2.240 362 L HA 0.381 4.721 4.340 -0.000 0.000 0.211 362 L C 1.698 178.656 176.870 0.147 0.000 1.106 362 L CA 0.601 55.422 54.840 -0.031 0.000 0.793 362 L CB -1.226 40.761 42.059 -0.120 0.000 0.927 362 L HN 1.199 nan 8.230 nan 0.000 0.446 363 G N -0.161 108.737 108.800 0.162 0.000 2.760 363 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.246 363 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.246 363 G C 0.351 175.492 174.900 0.402 0.000 1.359 363 G CA -0.429 44.801 45.100 0.218 0.000 0.861 363 G HN 0.289 nan 8.290 nan 0.000 0.541 364 G N -0.334 108.624 108.800 0.263 0.000 3.453 364 G HA2 0.676 4.636 3.960 -0.000 0.000 0.263 364 G HA3 0.676 4.636 3.960 -0.000 0.000 0.263 364 G C 0.802 175.757 174.900 0.090 0.000 1.060 364 G CA 1.294 46.519 45.100 0.209 0.000 0.793 364 G HN 2.006 nan 8.290 nan 0.000 0.532 365 A N 1.924 124.806 122.820 0.102 0.000 2.520 365 A HA 0.502 4.822 4.320 -0.000 0.000 0.245 365 A C -1.844 175.736 177.584 -0.006 0.000 1.072 365 A CA -0.772 51.292 52.037 0.045 0.000 0.761 365 A CB 0.160 19.194 19.000 0.056 0.000 1.004 365 A HN 0.195 nan 8.150 nan 0.000 0.499 366 P HA 0.334 nan 4.420 nan 0.000 0.268 366 P C 0.918 178.132 177.300 -0.143 0.000 1.205 366 P CA 1.504 64.534 63.100 -0.115 0.000 0.771 366 P CB 0.705 32.346 31.700 -0.099 0.000 0.858 367 G N 2.137 110.786 108.800 -0.251 0.000 2.498 367 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.245 367 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.245 367 G C 0.707 175.404 174.900 -0.338 0.000 1.204 367 G CA 0.035 44.954 45.100 -0.301 0.000 0.933 367 G HN 0.433 nan 8.290 nan 0.000 0.574 368 L N 1.819 122.935 121.223 -0.177 0.000 2.217 368 L HA 0.312 4.652 4.340 -0.000 0.000 0.211 368 L C 2.470 179.424 176.870 0.140 0.000 1.107 368 L CA 1.522 56.338 54.840 -0.040 0.000 0.783 368 L CB -0.518 41.578 42.059 0.062 0.000 0.919 368 L HN 2.212 nan 8.230 nan 0.000 0.442 369 G N 0.277 109.114 108.800 0.061 0.000 2.137 369 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.237 369 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.237 369 G C -0.194 174.734 174.900 0.046 0.000 1.002 369 G CA 0.191 45.343 45.100 0.088 0.000 0.702 369 G HN 0.256 nan 8.290 nan 0.000 0.515 370 V N -0.599 119.321 119.914 0.010 0.000 2.852 370 V HA 0.784 4.904 4.120 -0.000 0.000 0.300 370 V C -0.800 175.215 176.094 -0.131 0.000 1.205 370 V CA 0.302 62.570 62.300 -0.053 0.000 0.940 370 V CB 2.337 34.129 31.823 -0.052 0.000 1.047 370 V HN 0.576 nan 8.190 nan 0.000 0.429 371 T N 8.545 122.975 114.554 -0.206 0.000 2.864 371 T HA 0.500 4.850 4.350 -0.000 0.000 0.310 371 T C -2.736 171.651 174.700 -0.523 0.000 1.040 371 T CA -0.797 61.077 62.100 -0.376 0.000 0.977 371 T CB 1.432 70.200 68.868 -0.166 0.000 0.976 371 T HN 0.796 nan 8.240 nan 0.000 0.459 372 P HA 0.056 nan 4.420 nan 0.000 0.264 372 P C -0.663 176.318 177.300 -0.531 0.000 1.183 372 P CA -0.077 62.592 63.100 -0.717 0.000 0.763 372 P CB 0.779 31.912 31.700 -0.944 0.000 0.807 373 D N 3.667 123.860 120.400 -0.346 0.000 2.485 373 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 373 D C 1.399 177.578 176.300 -0.202 0.000 1.112 373 D CA -0.385 53.484 54.000 -0.218 0.000 0.911 373 D CB 0.366 41.071 40.800 -0.159 0.000 1.019 373 D HN 0.227 nan 8.370 nan 0.000 0.516 374 L N 2.748 123.877 121.223 -0.158 0.000 2.013 374 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 374 L C 2.579 179.467 176.870 0.030 0.000 1.073 374 L CA 1.583 56.399 54.840 -0.040 0.000 0.753 374 L CB -0.517 41.545 42.059 0.004 0.000 0.890 374 L HN 0.395 nan 8.230 nan 0.000 0.432 375 A N 0.163 122.988 122.820 0.008 0.000 1.892 375 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 375 A C 2.523 180.111 177.584 0.008 0.000 1.188 375 A CA 2.113 54.165 52.037 0.025 0.000 0.631 375 A CB -0.837 18.168 19.000 0.008 0.000 0.822 375 A HN 0.439 nan 8.150 nan 0.000 0.447 376 A N -0.732 122.063 122.820 -0.042 0.000 2.019 376 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 376 A C 2.151 179.683 177.584 -0.086 0.000 1.164 376 A CA 1.421 53.421 52.037 -0.061 0.000 0.644 376 A CB -0.503 18.444 19.000 -0.088 0.000 0.805 376 A HN 0.490 nan 8.150 nan 0.000 0.449 377 L N -0.513 120.616 121.223 -0.156 0.000 2.072 377 L HA -0.158 4.182 4.340 -0.000 0.000 0.205 377 L C 2.821 179.670 176.870 -0.036 0.000 1.079 377 L CA 1.559 56.221 54.840 -0.297 0.000 0.752 377 L CB -0.442 41.093 42.059 -0.872 0.000 0.906 377 L HN 0.550 nan 8.230 nan 0.000 0.436 378 R N 0.462 121.085 120.500 0.206 0.000 2.189 378 R HA 0.028 4.368 4.340 -0.000 0.000 0.218 378 R C 2.061 178.450 176.300 0.148 0.000 1.074 378 R CA 0.981 57.263 56.100 0.302 0.000 0.991 378 R CB -0.519 29.952 30.300 0.286 0.000 0.883 378 R HN 0.179 nan 8.270 nan 0.000 0.457 379 A N 1.268 124.140 122.820 0.086 0.000 2.119 379 A HA 0.202 4.521 4.320 -0.000 0.000 0.217 379 A C 2.100 179.721 177.584 0.062 0.000 1.153 379 A CA 1.020 53.091 52.037 0.057 0.000 0.692 379 A CB -0.179 18.838 19.000 0.029 0.000 0.799 379 A HN 0.481 nan 8.150 nan 0.000 0.458 380 A N -1.991 120.872 122.820 0.071 0.000 2.308 380 A HA 0.429 4.749 4.320 -0.000 0.000 0.217 380 A C 0.728 178.441 177.584 0.216 0.000 1.216 380 A CA 0.207 52.307 52.037 0.105 0.000 0.864 380 A CB -0.452 18.565 19.000 0.028 0.000 0.902 380 A HN 0.457 nan 8.150 nan 0.000 0.499 381 C N 0.000 119.407 119.300 0.179 0.000 2.653 381 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 381 C CA 0.000 59.126 59.018 0.179 0.000 1.963 381 C CB 0.000 27.881 27.740 0.235 0.000 2.134 381 C HN 0.000 nan 8.230 nan 0.000 0.568