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 3ln0_1_D DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.630 177.584 0.077 0.000 1.274 18 A CA 0.000 52.077 52.037 0.067 0.000 0.836 18 A CB 0.000 19.045 19.000 0.075 0.000 0.831 19 N N 2.283 121.017 118.700 0.057 0.000 2.411 19 N HA 0.132 4.872 4.740 -0.000 0.000 0.261 19 N C -1.654 173.877 175.510 0.036 0.000 1.248 19 N CA -0.671 52.406 53.050 0.045 0.000 0.885 19 N CB 1.247 39.749 38.487 0.025 0.000 1.062 19 N HN 0.226 nan 8.380 nan 0.000 0.471 20 P HA 0.005 nan 4.420 nan 0.000 0.230 20 P C 0.586 177.860 177.300 -0.044 0.000 1.158 20 P CA 0.643 63.785 63.100 0.071 0.000 0.769 20 P CB 0.127 31.929 31.700 0.170 0.000 0.807 21 c N -1.682 116.878 118.600 -0.067 0.000 2.791 21 c HA 0.126 4.696 4.570 -0.000 0.000 0.270 21 c C 2.678 176.687 174.090 -0.135 0.000 1.257 21 c CA -0.237 55.996 56.329 -0.160 0.000 1.699 21 c CB -2.082 40.368 42.510 -0.100 0.000 1.904 21 c HN 0.330 nan 8.230 nan 0.000 0.603 22 c N 1.584 120.135 118.600 -0.081 0.000 2.403 22 c HA -0.127 4.443 4.570 -0.000 0.000 0.279 22 c C 2.907 176.953 174.090 -0.075 0.000 1.269 22 c CA 2.180 58.474 56.329 -0.058 0.000 1.774 22 c CB -1.316 41.181 42.510 -0.022 0.000 1.993 22 c HN 0.820 nan 8.230 nan 0.000 0.496 23 S N 0.112 115.748 115.700 -0.107 0.000 2.603 23 S HA -0.001 4.469 4.470 -0.000 0.000 0.220 23 S C 0.381 174.902 174.600 -0.132 0.000 0.967 23 S CA 0.377 58.516 58.200 -0.102 0.000 0.920 23 S CB -0.547 62.595 63.200 -0.097 0.000 0.773 23 S HN 0.681 nan 8.310 nan 0.000 0.529 24 N N 1.310 119.909 118.700 -0.167 0.000 2.708 24 N HA -0.086 4.654 4.740 -0.000 0.000 0.255 24 N C -2.270 173.124 175.510 -0.193 0.000 1.046 24 N CA 0.924 53.869 53.050 -0.175 0.000 0.715 24 N CB -1.738 36.664 38.487 -0.143 0.000 0.895 24 N HN 0.411 nan 8.380 nan 0.000 0.545 25 P HA -0.023 nan 4.420 nan 0.000 0.217 25 P C 0.359 177.569 177.300 -0.151 0.000 1.150 25 P CA 0.906 63.837 63.100 -0.281 0.000 0.832 25 P CB 0.266 31.537 31.700 -0.715 0.000 0.787 26 c N 1.719 120.234 118.600 -0.142 0.000 2.499 26 c HA 0.348 4.917 4.570 -0.000 0.000 0.386 26 c C 0.592 174.620 174.090 -0.103 0.000 1.293 26 c CA -0.712 55.575 56.329 -0.069 0.000 1.884 26 c CB -0.449 42.042 42.510 -0.032 0.000 2.509 26 c HN 0.235 nan 8.230 nan 0.000 0.566 27 Q N 1.679 121.407 119.800 -0.121 0.000 2.195 27 Q HA 0.345 4.685 4.340 -0.000 0.000 0.250 27 Q C 0.296 176.158 176.000 -0.231 0.000 0.988 27 Q CA -0.436 55.256 55.803 -0.184 0.000 0.911 27 Q CB 0.537 29.141 28.738 -0.223 0.000 1.258 27 Q HN 0.776 nan 8.270 nan 0.000 0.475 28 N N 1.182 119.716 118.700 -0.276 0.000 2.725 28 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 28 N C -0.573 174.858 175.510 -0.131 0.000 1.103 28 N CA 0.918 53.792 53.050 -0.293 0.000 0.707 28 N CB -0.379 37.700 38.487 -0.680 0.000 1.043 28 N HN 0.669 nan 8.380 nan 0.000 0.553 29 R N -4.189 116.246 120.500 -0.108 0.000 3.804 29 R HA -0.122 4.218 4.340 -0.000 0.000 0.459 29 R C 0.880 177.168 176.300 -0.020 0.000 1.009 29 R CA 1.138 57.202 56.100 -0.060 0.000 1.210 29 R CB -2.232 28.046 30.300 -0.038 0.000 1.860 29 R HN 0.442 nan 8.270 nan 0.000 0.526 30 G N 1.346 110.130 108.800 -0.027 0.000 2.491 30 G HA2 0.233 4.193 3.960 -0.000 0.000 0.238 30 G HA3 0.233 4.193 3.960 -0.000 0.000 0.238 30 G C -0.023 174.884 174.900 0.012 0.000 1.277 30 G CA -0.218 44.887 45.100 0.009 0.000 0.851 30 G HN 0.203 nan 8.290 nan 0.000 0.573 31 E N 0.025 120.251 120.200 0.043 0.000 2.166 31 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 31 E C -0.694 175.938 176.600 0.054 0.000 0.941 31 E CA -0.641 55.791 56.400 0.054 0.000 0.784 31 E CB 1.981 31.738 29.700 0.094 0.000 1.115 31 E HN 0.381 nan 8.360 nan 0.000 0.399 32 c N 4.745 123.360 118.600 0.025 0.000 2.369 32 c HA 0.564 5.133 4.570 -0.000 0.000 0.358 32 c C -0.204 173.920 174.090 0.057 0.000 1.274 32 c CA -0.328 56.022 56.329 0.034 0.000 1.935 32 c CB -0.556 41.914 42.510 -0.066 0.000 2.431 32 c HN 0.804 nan 8.230 nan 0.000 0.545 33 M N 5.799 125.455 119.600 0.093 0.000 2.386 33 M HA 0.417 4.897 4.480 -0.000 0.000 0.293 33 M C 0.001 176.352 176.300 0.084 0.000 1.120 33 M CA -0.089 55.252 55.300 0.068 0.000 0.909 33 M CB 2.075 34.707 32.600 0.054 0.000 1.661 33 M HN 0.796 nan 8.290 nan 0.000 0.452 34 S N 2.282 118.008 115.700 0.043 0.000 2.564 34 S HA 0.359 4.829 4.470 -0.000 0.000 0.278 34 S C 0.334 174.931 174.600 -0.005 0.000 1.333 34 S CA 0.067 58.288 58.200 0.036 0.000 1.048 34 S CB 0.519 63.711 63.200 -0.013 0.000 0.900 34 S HN 0.764 nan 8.310 nan 0.000 0.505 35 T N -1.063 113.489 114.554 -0.004 0.000 3.483 35 T HA 0.653 5.003 4.350 -0.000 0.000 0.258 35 T C 0.447 175.117 174.700 -0.049 0.000 1.013 35 T CA -0.129 61.951 62.100 -0.033 0.000 1.078 35 T CB -0.567 68.286 68.868 -0.026 0.000 1.111 35 T HN 1.786 nan 8.240 nan 0.000 0.538 36 G N 0.369 109.111 108.800 -0.098 0.000 2.340 36 G HA2 0.152 4.112 3.960 -0.000 0.000 0.527 36 G HA3 0.152 4.112 3.960 -0.000 0.000 0.527 36 G C -0.274 174.563 174.900 -0.105 0.000 1.381 36 G CA -0.830 44.204 45.100 -0.110 0.000 1.001 36 G HN 0.085 nan 8.290 nan 0.000 0.626 37 F N -0.071 119.890 119.950 0.019 0.000 2.333 37 F HA 0.100 4.627 4.527 -0.000 0.000 0.300 37 F C 1.920 177.740 175.800 0.033 0.000 1.083 37 F CA 1.860 59.873 58.000 0.023 0.000 1.395 37 F CB 0.346 39.356 39.000 0.017 0.000 1.056 37 F HN 0.351 nan 8.300 nan 0.000 0.529 38 D N -1.281 119.235 120.400 0.193 0.000 2.602 38 D HA 0.124 4.764 4.640 -0.000 0.000 0.265 38 D C -0.250 176.121 176.300 0.117 0.000 1.454 38 D CA 0.180 54.267 54.000 0.144 0.000 0.795 38 D CB 0.437 41.313 40.800 0.126 0.000 1.140 38 D HN 0.235 nan 8.370 nan 0.000 0.486 39 Q N 0.237 120.093 119.800 0.094 0.000 2.387 39 Q HA 0.562 4.902 4.340 -0.000 0.000 0.273 39 Q C -0.860 175.201 176.000 0.103 0.000 1.089 39 Q CA -0.915 54.919 55.803 0.052 0.000 0.824 39 Q CB 2.272 31.002 28.738 -0.013 0.000 1.367 39 Q HN 0.180 nan 8.270 nan 0.000 0.443 40 Y N -1.670 118.631 120.300 0.002 0.000 2.609 40 Y HA 0.860 5.410 4.550 -0.000 0.000 0.342 40 Y C -1.318 174.582 175.900 -0.001 0.000 1.058 40 Y CA -1.344 56.754 58.100 -0.004 0.000 1.055 40 Y CB 1.721 40.179 38.460 -0.003 0.000 1.292 40 Y HN 0.575 nan 8.280 nan 0.000 0.476 41 K N 1.155 121.654 120.400 0.166 0.000 2.498 41 K HA 0.735 5.054 4.320 -0.000 0.000 0.254 41 K C -2.162 174.563 176.600 0.207 0.000 0.933 41 K CA -0.365 55.967 56.287 0.075 0.000 0.806 41 K CB 1.873 34.381 32.500 0.012 0.000 1.301 41 K HN 0.946 nan 8.250 nan 0.000 0.432 42 c N 2.576 121.283 118.600 0.179 0.000 2.319 42 c HA 0.410 4.979 4.570 -0.000 0.000 0.335 42 c C -0.739 173.409 174.090 0.097 0.000 1.274 42 c CA -0.618 55.800 56.329 0.149 0.000 1.806 42 c CB 0.555 43.157 42.510 0.153 0.000 2.329 42 c HN 0.809 nan 8.230 nan 0.000 0.524 43 D N 1.705 122.154 120.400 0.083 0.000 2.396 43 D HA 0.247 4.886 4.640 -0.000 0.000 0.225 43 D C 0.245 176.590 176.300 0.074 0.000 1.121 43 D CA -0.319 53.724 54.000 0.071 0.000 0.853 43 D CB 0.728 41.566 40.800 0.063 0.000 1.043 43 D HN 0.637 nan 8.370 nan 0.000 0.500 44 c N 2.852 121.505 118.600 0.088 0.000 2.693 44 c HA 0.167 4.737 4.570 -0.000 0.000 0.286 44 c C 0.779 174.933 174.090 0.106 0.000 1.277 44 c CA -0.360 56.034 56.329 0.108 0.000 1.705 44 c CB -1.498 41.104 42.510 0.152 0.000 1.879 44 c HN 0.556 nan 8.230 nan 0.000 0.607 45 T N 1.857 116.458 114.554 0.079 0.000 2.800 45 T HA -0.003 4.346 4.350 -0.000 0.000 0.283 45 T C 0.978 175.718 174.700 0.066 0.000 0.999 45 T CA 0.764 62.903 62.100 0.064 0.000 1.176 45 T CB -0.098 68.797 68.868 0.045 0.000 0.973 45 T HN 0.631 nan 8.240 nan 0.000 0.519 46 R N 0.218 120.758 120.500 0.066 0.000 3.953 46 R HA -0.233 4.107 4.340 -0.000 0.000 0.340 46 R C 1.731 178.082 176.300 0.085 0.000 1.195 46 R CA 1.225 57.361 56.100 0.060 0.000 0.929 46 R CB -2.211 28.113 30.300 0.040 0.000 1.402 46 R HN 0.937 nan 8.270 nan 0.000 0.540 47 T N -4.850 109.780 114.554 0.128 0.000 3.014 47 T HA 0.190 4.540 4.350 -0.000 0.000 0.263 47 T C 1.544 176.412 174.700 0.281 0.000 1.078 47 T CA 1.061 63.277 62.100 0.193 0.000 1.135 47 T CB 0.617 69.611 68.868 0.210 0.000 0.895 47 T HN 0.692 nan 8.240 nan 0.000 0.480 48 G N 0.558 109.464 108.800 0.177 0.000 2.176 48 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.232 48 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.232 48 G C -0.135 174.630 174.900 -0.224 0.000 0.986 48 G CA -0.046 45.045 45.100 -0.016 0.000 0.643 48 G HN 0.553 nan 8.290 nan 0.000 0.522 49 F N -0.532 119.457 119.950 0.064 0.000 2.640 49 F HA 0.834 5.361 4.527 -0.000 0.000 0.324 49 F C 0.292 176.169 175.800 0.128 0.000 1.077 49 F CA -1.151 56.861 58.000 0.020 0.000 0.965 49 F CB 1.275 40.240 39.000 -0.058 0.000 1.351 49 F HN 0.246 nan 8.300 nan 0.000 0.487 50 Y N -1.347 119.084 120.300 0.219 0.000 2.889 50 Y HA 0.934 5.483 4.550 -0.000 0.000 0.317 50 Y C 0.023 175.994 175.900 0.119 0.000 1.414 50 Y CA -1.749 56.429 58.100 0.131 0.000 1.091 50 Y CB 1.048 39.554 38.460 0.077 0.000 1.358 50 Y HN 1.071 nan 8.280 nan 0.000 0.487 51 G N 0.085 109.047 108.800 0.270 0.000 2.612 51 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.686 51 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.686 51 G C 0.161 175.121 174.900 0.101 0.000 1.274 51 G CA -0.108 45.076 45.100 0.139 0.000 0.849 51 G HN 1.143 nan 8.290 nan 0.000 0.595 52 E N -0.344 119.898 120.200 0.070 0.000 2.130 52 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 52 E C 1.335 177.997 176.600 0.102 0.000 0.998 52 E CA 1.623 58.055 56.400 0.054 0.000 0.806 52 E CB -0.089 29.624 29.700 0.021 0.000 0.738 52 E HN 0.416 nan 8.360 nan 0.000 0.459 53 N N -0.926 117.826 118.700 0.086 0.000 2.238 53 N HA 0.088 4.828 4.740 -0.000 0.000 0.235 53 N C -0.605 174.911 175.510 0.010 0.000 1.209 53 N CA 0.384 53.482 53.050 0.080 0.000 0.879 53 N CB 0.743 39.267 38.487 0.062 0.000 1.136 53 N HN 0.119 nan 8.380 nan 0.000 0.517 54 c N 0.896 119.514 118.600 0.030 0.000 4.350 54 c HA -0.121 4.449 4.570 -0.000 0.000 0.302 54 c C 1.809 175.842 174.090 -0.095 0.000 1.390 54 c CA 1.226 57.568 56.329 0.022 0.000 2.016 54 c CB -3.122 39.393 42.510 0.009 0.000 1.271 54 c HN 0.606 nan 8.230 nan 0.000 0.760 55 T N -4.825 109.689 114.554 -0.067 0.000 3.023 55 T HA 0.186 4.536 4.350 -0.000 0.000 0.253 55 T C 0.299 175.038 174.700 0.065 0.000 1.038 55 T CA 0.586 62.628 62.100 -0.097 0.000 0.962 55 T CB 0.191 69.009 68.868 -0.082 0.000 1.018 55 T HN 0.557 nan 8.240 nan 0.000 0.521 56 T N 5.791 120.325 114.554 -0.032 0.000 2.727 56 T HA 0.417 4.767 4.350 -0.000 0.000 0.298 56 T C -2.713 171.809 174.700 -0.296 0.000 0.942 56 T CA -1.295 60.654 62.100 -0.250 0.000 0.997 56 T CB 1.303 69.779 68.868 -0.654 0.000 0.917 56 T HN 0.209 nan 8.240 nan 0.000 0.487 57 P HA 0.243 nan 4.420 nan 0.000 0.279 57 P C -0.216 176.927 177.300 -0.261 0.000 1.239 57 P CA -0.496 62.294 63.100 -0.516 0.000 0.789 57 P CB 1.040 32.498 31.700 -0.404 0.000 0.933 58 E N 1.118 121.188 120.200 -0.216 0.000 2.373 58 E HA 0.044 4.394 4.350 -0.000 0.000 0.263 58 E C 0.803 177.408 176.600 0.010 0.000 1.073 58 E CA -0.399 56.038 56.400 0.063 0.000 0.894 58 E CB 0.207 29.940 29.700 0.055 0.000 1.008 58 E HN 0.366 nan 8.360 nan 0.000 0.420 59 F N 2.490 122.429 119.950 -0.019 0.000 2.045 59 F HA -0.293 4.234 4.527 -0.000 0.000 0.297 59 F C 1.829 177.594 175.800 -0.059 0.000 1.114 59 F CA 1.911 59.891 58.000 -0.033 0.000 1.207 59 F CB -0.387 38.603 39.000 -0.016 0.000 0.964 59 F HN 0.483 nan 8.300 nan 0.000 0.486 60 L N 0.206 121.316 121.223 -0.189 0.000 2.191 60 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 60 L C 2.063 178.761 176.870 -0.286 0.000 1.103 60 L CA 2.466 57.125 54.840 -0.301 0.000 0.769 60 L CB -1.378 40.635 42.059 -0.077 0.000 0.908 60 L HN 0.275 nan 8.230 nan 0.000 0.438 61 T N -0.113 114.286 114.554 -0.259 0.000 2.821 61 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 61 T C 1.877 176.410 174.700 -0.279 0.000 1.046 61 T CA 1.606 63.525 62.100 -0.303 0.000 1.139 61 T CB -0.174 68.379 68.868 -0.525 0.000 0.871 61 T HN 0.471 nan 8.240 nan 0.000 0.454 62 R N 0.474 120.801 120.500 -0.288 0.000 2.075 62 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 62 R C 2.199 178.365 176.300 -0.223 0.000 1.126 62 R CA 1.027 56.995 56.100 -0.219 0.000 0.963 62 R CB -0.695 29.494 30.300 -0.185 0.000 0.858 62 R HN 0.297 nan 8.270 nan 0.000 0.435 63 I N 1.859 122.227 120.570 -0.336 0.000 2.076 63 I HA -0.295 3.875 4.170 -0.000 0.000 0.237 63 I C 2.217 178.232 176.117 -0.171 0.000 1.059 63 I CA 1.696 62.829 61.300 -0.278 0.000 1.317 63 I CB -0.432 37.358 38.000 -0.350 0.000 1.037 63 I HN 0.030 nan 8.210 nan 0.000 0.398 64 K N 0.139 120.440 120.400 -0.165 0.000 2.127 64 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 64 K C 2.097 178.655 176.600 -0.070 0.000 1.047 64 K CA 1.449 57.672 56.287 -0.106 0.000 0.927 64 K CB -0.456 31.981 32.500 -0.105 0.000 0.716 64 K HN 0.302 nan 8.250 nan 0.000 0.450 65 L N 0.287 121.468 121.223 -0.070 0.000 2.083 65 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 65 L C 2.146 179.001 176.870 -0.026 0.000 1.083 65 L CA 0.664 55.489 54.840 -0.025 0.000 0.752 65 L CB -0.361 41.694 42.059 -0.007 0.000 0.899 65 L HN 0.129 nan 8.230 nan 0.000 0.433 66 L N -0.834 120.360 121.223 -0.049 0.000 2.056 66 L HA -0.171 4.168 4.340 -0.000 0.000 0.207 66 L C 1.897 178.746 176.870 -0.035 0.000 1.078 66 L CA 1.476 56.292 54.840 -0.040 0.000 0.749 66 L CB -0.574 41.453 42.059 -0.053 0.000 0.901 66 L HN 0.161 nan 8.230 nan 0.000 0.433 67 L N -0.885 120.312 121.223 -0.044 0.000 2.612 67 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 67 L C 0.882 177.738 176.870 -0.024 0.000 1.140 67 L CA 0.448 55.265 54.840 -0.039 0.000 0.896 67 L CB -1.072 40.956 42.059 -0.051 0.000 1.065 67 L HN 0.090 nan 8.230 nan 0.000 0.447 68 K N 2.447 122.841 120.400 -0.010 0.000 2.264 68 K HA 0.326 4.646 4.320 -0.000 0.000 0.277 68 K C -2.230 174.384 176.600 0.024 0.000 1.067 68 K CA -1.611 54.684 56.287 0.014 0.000 0.900 68 K CB 1.130 33.645 32.500 0.026 0.000 1.124 68 K HN -0.072 nan 8.250 nan 0.000 0.469 69 P HA 0.020 nan 4.420 nan 0.000 0.275 69 P C -0.314 177.023 177.300 0.061 0.000 1.228 69 P CA -0.318 62.807 63.100 0.041 0.000 0.786 69 P CB 0.775 32.503 31.700 0.047 0.000 0.927 70 T N -0.652 113.935 114.554 0.055 0.000 2.856 70 T HA 0.153 4.503 4.350 -0.000 0.000 0.306 70 T C -1.739 173.016 174.700 0.091 0.000 1.062 70 T CA -1.206 60.930 62.100 0.061 0.000 1.083 70 T CB -0.081 68.814 68.868 0.044 0.000 0.984 70 T HN 0.165 nan 8.240 nan 0.000 0.542 71 P HA -0.064 nan 4.420 nan 0.000 0.218 71 P C 1.451 178.842 177.300 0.152 0.000 1.148 71 P CA 0.824 63.992 63.100 0.113 0.000 0.822 71 P CB 0.003 31.749 31.700 0.076 0.000 0.784 72 N N -1.423 117.356 118.700 0.132 0.000 2.188 72 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 72 N C 1.646 177.282 175.510 0.210 0.000 1.018 72 N CA 1.365 54.524 53.050 0.180 0.000 0.858 72 N CB -0.885 37.677 38.487 0.125 0.000 0.989 72 N HN 0.151 nan 8.380 nan 0.000 0.426 73 T N 1.288 115.931 114.554 0.147 0.000 2.701 73 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 73 T C 2.224 177.053 174.700 0.215 0.000 1.040 73 T CA 0.949 63.133 62.100 0.140 0.000 1.147 73 T CB -0.295 68.620 68.868 0.079 0.000 0.865 73 T HN -0.057 nan 8.240 nan 0.000 0.426 74 V N 1.357 121.387 119.914 0.193 0.000 2.287 74 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 74 V C 2.319 178.556 176.094 0.238 0.000 1.053 74 V CA 1.985 64.405 62.300 0.200 0.000 1.027 74 V CB -0.828 31.107 31.823 0.186 0.000 0.646 74 V HN 0.665 nan 8.190 nan 0.000 0.447 75 H N -1.394 117.776 119.070 0.168 0.000 2.387 75 H HA -0.271 4.285 4.556 -0.000 0.000 0.299 75 H C 2.322 177.784 175.328 0.222 0.000 1.099 75 H CA 2.395 58.556 56.048 0.188 0.000 1.315 75 H CB -0.061 29.818 29.762 0.195 0.000 1.380 75 H HN 0.548 nan 8.280 nan 0.000 0.513 76 Y N 1.162 121.495 120.300 0.054 0.000 2.145 76 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 76 Y C 2.495 178.462 175.900 0.112 0.000 1.145 76 Y CA 1.825 59.886 58.100 -0.066 0.000 1.148 76 Y CB -0.397 37.982 38.460 -0.135 0.000 0.981 76 Y HN 0.136 nan 8.280 nan 0.000 0.507 77 I N -0.651 120.146 120.570 0.377 0.000 2.394 77 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 77 I C 1.819 178.313 176.117 0.628 0.000 1.136 77 I CA 0.503 62.158 61.300 0.592 0.000 1.425 77 I CB -0.286 37.957 38.000 0.405 0.000 1.079 77 I HN 0.263 nan 8.210 nan 0.000 0.425 78 L N 0.357 121.720 121.223 0.234 0.000 2.240 78 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 78 L C 2.335 179.117 176.870 -0.147 0.000 1.106 78 L CA 1.981 56.728 54.840 -0.155 0.000 0.793 78 L CB -1.335 40.360 42.059 -0.607 0.000 0.927 78 L HN 0.400 nan 8.230 nan 0.000 0.446 79 T N -4.922 109.607 114.554 -0.042 0.000 3.134 79 T HA 0.207 4.557 4.350 -0.000 0.000 0.260 79 T C 0.429 175.010 174.700 -0.198 0.000 1.027 79 T CA -0.239 61.703 62.100 -0.263 0.000 0.913 79 T CB 0.014 68.665 68.868 -0.361 0.000 1.046 79 T HN 0.171 nan 8.240 nan 0.000 0.553 80 H N -0.570 118.482 119.070 -0.030 0.000 2.949 80 H HA 0.596 5.152 4.556 -0.000 0.000 0.310 80 H C -0.469 174.994 175.328 0.225 0.000 1.405 80 H CA -2.062 53.865 56.048 -0.202 0.000 1.253 80 H CB 0.334 29.415 29.762 -1.135 0.000 1.932 80 H HN 0.047 nan 8.280 nan 0.000 0.602 81 F N -0.817 119.286 119.950 0.255 0.000 3.039 81 F HA -0.262 4.265 4.527 -0.000 0.000 0.287 81 F C 1.603 177.469 175.800 0.110 0.000 0.956 81 F CA 0.711 58.775 58.000 0.107 0.000 0.971 81 F CB -1.197 37.795 39.000 -0.013 0.000 0.943 81 F HN 0.525 nan 8.300 nan 0.000 0.766 82 K N 1.117 121.567 120.400 0.082 0.000 2.218 82 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 82 K C 2.192 178.807 176.600 0.025 0.000 1.046 82 K CA 1.657 57.860 56.287 -0.140 0.000 0.933 82 K CB -0.467 31.650 32.500 -0.638 0.000 0.728 82 K HN 0.585 nan 8.250 nan 0.000 0.454 83 G N 0.005 108.820 108.800 0.024 0.000 2.403 83 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 83 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 83 G C 1.406 176.315 174.900 0.015 0.000 1.154 83 G CA 0.690 45.801 45.100 0.018 0.000 0.784 83 G HN 0.186 nan 8.290 nan 0.000 0.538 84 V N -0.309 119.588 119.914 -0.028 0.000 2.307 84 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 84 V C 2.408 178.429 176.094 -0.122 0.000 1.045 84 V CA 1.575 63.780 62.300 -0.158 0.000 1.024 84 V CB -0.795 30.806 31.823 -0.371 0.000 0.651 84 V HN 0.577 nan 8.190 nan 0.000 0.449 85 W N 0.387 121.746 121.300 0.098 0.000 2.374 85 W HA -0.166 4.494 4.660 -0.000 0.000 0.288 85 W C 2.442 179.026 176.519 0.108 0.000 1.218 85 W CA 1.357 58.788 57.345 0.143 0.000 1.245 85 W CB -0.497 29.097 29.460 0.222 0.000 1.126 85 W HN 0.270 nan 8.180 nan 0.000 0.545 86 N N 0.466 119.318 118.700 0.254 0.000 2.166 86 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 86 N C 1.499 177.079 175.510 0.117 0.000 1.019 86 N CA 1.645 54.787 53.050 0.154 0.000 0.856 86 N CB -0.242 38.294 38.487 0.083 0.000 0.993 86 N HN 0.048 nan 8.380 nan 0.000 0.426 87 I N -0.761 119.859 120.570 0.083 0.000 2.193 87 I HA -0.192 3.978 4.170 -0.000 0.000 0.240 87 I C 1.921 178.080 176.117 0.071 0.000 1.084 87 I CA 0.557 61.887 61.300 0.050 0.000 1.365 87 I CB -0.284 37.717 38.000 0.002 0.000 1.064 87 I HN -0.009 nan 8.210 nan 0.000 0.410 88 V N 1.475 121.442 119.914 0.088 0.000 2.282 88 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 88 V C 2.047 178.268 176.094 0.211 0.000 1.057 88 V CA 2.045 64.425 62.300 0.132 0.000 1.032 88 V CB -0.942 31.010 31.823 0.215 0.000 0.645 88 V HN 0.468 nan 8.190 nan 0.000 0.447 89 N N 0.608 119.469 118.700 0.269 0.000 2.430 89 N HA -0.112 4.627 4.740 -0.000 0.000 0.186 89 N C 1.339 176.915 175.510 0.109 0.000 1.032 89 N CA 0.968 54.132 53.050 0.189 0.000 0.893 89 N CB -0.385 38.191 38.487 0.148 0.000 0.957 89 N HN 0.553 nan 8.380 nan 0.000 0.442 90 N N 0.017 118.776 118.700 0.099 0.000 2.205 90 N HA 0.166 4.906 4.740 -0.000 0.000 0.201 90 N C -0.237 175.316 175.510 0.072 0.000 1.128 90 N CA 0.010 53.103 53.050 0.073 0.000 0.867 90 N CB 1.245 39.769 38.487 0.063 0.000 0.996 90 N HN 0.212 nan 8.380 nan 0.000 0.503 91 I N 2.354 122.966 120.570 0.071 0.000 2.316 91 I HA 0.189 4.358 4.170 -0.000 0.000 0.286 91 I C -1.504 174.652 176.117 0.064 0.000 1.107 91 I CA -1.844 59.497 61.300 0.069 0.000 1.219 91 I CB 1.494 39.505 38.000 0.018 0.000 1.455 91 I HN -0.303 nan 8.210 nan 0.000 0.498 92 P HA -0.285 nan 4.420 nan 0.000 0.219 92 P C 1.595 178.980 177.300 0.142 0.000 1.158 92 P CA 1.831 65.003 63.100 0.120 0.000 0.895 92 P CB -0.000 31.779 31.700 0.132 0.000 0.792 93 F N -1.453 118.542 119.950 0.074 0.000 2.325 93 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 93 F C 1.882 177.732 175.800 0.083 0.000 1.090 93 F CA 0.935 58.977 58.000 0.070 0.000 1.392 93 F CB -1.155 37.876 39.000 0.053 0.000 1.053 93 F HN -0.204 nan 8.300 nan 0.000 0.521 94 L N 0.371 121.124 121.223 -0.783 0.000 2.023 94 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 94 L C 2.938 179.729 176.870 -0.133 0.000 1.073 94 L CA 1.397 55.845 54.840 -0.653 0.000 0.745 94 L CB -0.545 41.230 42.059 -0.473 0.000 0.900 94 L HN 0.150 nan 8.230 nan 0.000 0.435 95 R N -0.411 120.125 120.500 0.061 0.000 2.096 95 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 95 R C 2.339 178.809 176.300 0.284 0.000 1.139 95 R CA 2.063 58.353 56.100 0.317 0.000 0.952 95 R CB -0.151 30.277 30.300 0.214 0.000 0.854 95 R HN 0.235 nan 8.270 nan 0.000 0.436 96 S N 0.905 116.693 115.700 0.146 0.000 2.382 96 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 96 S C 1.791 176.464 174.600 0.122 0.000 1.027 96 S CA 1.155 59.434 58.200 0.132 0.000 0.991 96 S CB -0.228 63.043 63.200 0.119 0.000 0.823 96 S HN 0.368 nan 8.310 nan 0.000 0.469 97 L N 1.211 122.477 121.223 0.071 0.000 2.056 97 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 97 L C 1.886 178.795 176.870 0.065 0.000 1.078 97 L CA 1.195 56.067 54.840 0.054 0.000 0.749 97 L CB -0.263 41.776 42.059 -0.033 0.000 0.901 97 L HN 0.274 nan 8.230 nan 0.000 0.433 98 I N -0.725 119.864 120.570 0.032 0.000 2.202 98 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 98 I C 2.510 178.689 176.117 0.103 0.000 1.091 98 I CA 1.376 62.641 61.300 -0.059 0.000 1.368 98 I CB -0.951 36.719 38.000 -0.549 0.000 1.058 98 I HN 0.404 nan 8.210 nan 0.000 0.410 99 M N 1.310 121.080 119.600 0.283 0.000 2.175 99 M HA -0.196 4.284 4.480 -0.000 0.000 0.264 99 M C 2.227 178.621 176.300 0.157 0.000 1.063 99 M CA 1.745 57.237 55.300 0.319 0.000 1.119 99 M CB -0.539 32.256 32.600 0.325 0.000 1.377 99 M HN 0.087 nan 8.290 nan 0.000 0.415 100 K N -1.212 119.265 120.400 0.129 0.000 2.097 100 K HA -0.251 4.069 4.320 -0.000 0.000 0.206 100 K C 2.127 178.784 176.600 0.095 0.000 1.049 100 K CA 1.819 58.153 56.287 0.078 0.000 0.933 100 K CB -0.573 31.976 32.500 0.081 0.000 0.717 100 K HN 0.528 nan 8.250 nan 0.000 0.442 101 Y N 1.064 121.376 120.300 0.021 0.000 2.242 101 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 101 Y C 1.877 177.800 175.900 0.039 0.000 1.137 101 Y CA 1.400 59.511 58.100 0.018 0.000 1.181 101 Y CB -0.374 38.079 38.460 -0.012 0.000 0.989 101 Y HN -0.028 nan 8.280 nan 0.000 0.527 102 V N -0.641 119.109 119.914 -0.273 0.000 2.427 102 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 102 V C 2.033 178.029 176.094 -0.162 0.000 1.051 102 V CA 1.713 63.816 62.300 -0.330 0.000 1.048 102 V CB -0.841 30.965 31.823 -0.028 0.000 0.666 102 V HN 0.389 nan 8.190 nan 0.000 0.456 103 L N 1.983 123.166 121.223 -0.066 0.000 1.994 103 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 103 L C 3.043 179.895 176.870 -0.031 0.000 1.071 103 L CA 2.978 57.791 54.840 -0.044 0.000 0.745 103 L CB -1.524 40.489 42.059 -0.076 0.000 0.892 103 L HN 0.740 nan 8.230 nan 0.000 0.431 104 T N -3.810 110.727 114.554 -0.027 0.000 2.770 104 T HA -0.139 4.211 4.350 -0.000 0.000 0.263 104 T C 2.056 176.810 174.700 0.091 0.000 1.039 104 T CA 1.298 63.428 62.100 0.050 0.000 1.142 104 T CB -0.852 68.055 68.868 0.064 0.000 0.868 104 T HN 0.385 nan 8.240 nan 0.000 0.435 105 S N 1.555 117.245 115.700 -0.015 0.000 2.400 105 S HA -0.091 4.379 4.470 -0.000 0.000 0.232 105 S C 2.226 176.924 174.600 0.163 0.000 1.025 105 S CA 0.817 59.069 58.200 0.085 0.000 0.993 105 S CB -0.449 62.630 63.200 -0.202 0.000 0.808 105 S HN 0.360 nan 8.310 nan 0.000 0.478 106 R N 1.491 121.995 120.500 0.006 0.000 2.062 106 R HA 0.228 4.568 4.340 -0.000 0.000 0.229 106 R C 2.668 178.929 176.300 -0.066 0.000 1.128 106 R CA 1.533 57.609 56.100 -0.039 0.000 0.960 106 R CB -0.892 29.393 30.300 -0.024 0.000 0.855 106 R HN 0.466 nan 8.270 nan 0.000 0.432 107 S N 0.044 115.770 115.700 0.044 0.000 2.447 107 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 107 S C 1.481 176.087 174.600 0.009 0.000 1.006 107 S CA 1.090 59.331 58.200 0.069 0.000 0.957 107 S CB -0.379 62.986 63.200 0.275 0.000 0.773 107 S HN 0.563 nan 8.310 nan 0.000 0.507 108 Y N 0.632 120.929 120.300 -0.004 0.000 2.639 108 Y HA 0.163 4.713 4.550 -0.000 0.000 0.297 108 Y C 1.440 177.295 175.900 -0.075 0.000 1.151 108 Y CA 0.361 58.443 58.100 -0.031 0.000 1.335 108 Y CB -0.301 38.149 38.460 -0.016 0.000 0.994 108 Y HN 0.091 nan 8.280 nan 0.000 0.548 109 L N 0.863 121.651 121.223 -0.726 0.000 2.492 109 L HA 0.120 4.460 4.340 -0.000 0.000 0.223 109 L C 0.245 176.848 176.870 -0.446 0.000 1.132 109 L CA 0.383 54.776 54.840 -0.744 0.000 0.850 109 L CB -0.484 41.178 42.059 -0.661 0.000 0.966 109 L HN 0.253 nan 8.230 nan 0.000 0.454 110 I N 0.330 120.744 120.570 -0.261 0.000 2.359 110 I HA 0.194 4.364 4.170 -0.000 0.000 0.294 110 I C -0.145 175.904 176.117 -0.112 0.000 0.987 110 I CA -0.978 60.233 61.300 -0.148 0.000 1.225 110 I CB 1.289 39.244 38.000 -0.075 0.000 1.366 110 I HN -0.109 nan 8.210 nan 0.000 0.466 111 D N 4.250 124.599 120.400 -0.086 0.000 2.371 111 D HA 0.214 4.854 4.640 -0.000 0.000 0.256 111 D C 0.067 176.314 176.300 -0.088 0.000 1.193 111 D CA 0.466 54.412 54.000 -0.089 0.000 0.881 111 D CB 1.015 41.755 40.800 -0.100 0.000 1.143 111 D HN 0.392 nan 8.370 nan 0.000 0.473 112 S N 2.444 118.082 115.700 -0.103 0.000 2.706 112 S HA 0.389 4.858 4.470 -0.000 0.000 0.270 112 S C -2.711 171.825 174.600 -0.107 0.000 1.163 112 S CA -1.266 56.866 58.200 -0.113 0.000 1.042 112 S CB 0.822 63.923 63.200 -0.166 0.000 1.079 112 S HN 0.028 nan 8.310 nan 0.000 0.474 113 P HA 0.203 nan 4.420 nan 0.000 0.267 113 P C -2.503 174.766 177.300 -0.052 0.000 1.195 113 P CA -0.654 62.429 63.100 -0.028 0.000 0.773 113 P CB -0.179 31.509 31.700 -0.021 0.000 0.837 114 P HA 0.057 nan 4.420 nan 0.000 0.274 114 P C 0.064 177.282 177.300 -0.137 0.000 1.256 114 P CA -0.034 63.010 63.100 -0.093 0.000 0.795 114 P CB 0.783 32.411 31.700 -0.121 0.000 1.038 115 T N -2.123 112.287 114.554 -0.240 0.000 3.409 115 T HA 0.211 4.561 4.350 -0.000 0.000 0.188 115 T C 0.608 175.063 174.700 -0.408 0.000 0.929 115 T CA 0.047 61.879 62.100 -0.448 0.000 1.184 115 T CB -0.853 67.516 68.868 -0.831 0.000 1.570 115 T HN 0.267 nan 8.240 nan 0.000 0.367 116 Y N 3.632 123.888 120.300 -0.074 0.000 2.298 116 Y HA 0.576 5.126 4.550 -0.000 0.000 0.329 116 Y C 0.889 176.718 175.900 -0.118 0.000 1.293 116 Y CA -0.579 57.466 58.100 -0.092 0.000 1.388 116 Y CB 0.517 38.941 38.460 -0.061 0.000 1.309 116 Y HN 0.737 nan 8.280 nan 0.000 0.544 117 N N -2.409 116.311 118.700 0.035 0.000 3.316 117 N HA 0.131 4.871 4.740 -0.000 0.000 0.300 117 N C -0.325 175.143 175.510 -0.070 0.000 1.567 117 N CA -0.737 52.262 53.050 -0.085 0.000 0.821 117 N CB 0.504 38.779 38.487 -0.354 0.000 1.748 117 N HN 0.411 nan 8.380 nan 0.000 0.603 118 V N -0.363 119.485 119.914 -0.111 0.000 2.720 118 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 118 V C 0.957 177.021 176.094 -0.050 0.000 1.082 118 V CA 1.884 64.135 62.300 -0.082 0.000 1.101 118 V CB -0.983 30.753 31.823 -0.146 0.000 0.693 118 V HN 0.700 nan 8.190 nan 0.000 0.479 119 H N -2.901 116.121 119.070 -0.080 0.000 2.740 119 H HA 0.255 4.810 4.556 -0.000 0.000 0.265 119 H C -0.562 174.402 175.328 -0.605 0.000 0.978 119 H CA -0.086 55.810 56.048 -0.253 0.000 1.198 119 H CB 0.529 30.166 29.762 -0.209 0.000 1.467 119 H HN 0.468 nan 8.280 nan 0.000 0.511 120 Y N -0.197 120.025 120.300 -0.129 0.000 2.332 120 Y HA 0.311 4.861 4.550 -0.000 0.000 0.326 120 Y C 0.841 176.610 175.900 -0.218 0.000 0.978 120 Y CA -0.825 57.076 58.100 -0.333 0.000 1.205 120 Y CB 1.909 40.099 38.460 -0.452 0.000 1.131 120 Y HN 0.071 nan 8.280 nan 0.000 0.462 121 G N 2.371 111.095 108.800 -0.126 0.000 3.141 121 G HA2 0.123 4.082 3.960 -0.000 0.000 0.218 121 G HA3 0.123 4.082 3.960 -0.000 0.000 0.218 121 G C -0.441 174.464 174.900 0.007 0.000 1.170 121 G CA 0.191 45.206 45.100 -0.142 0.000 0.769 121 G HN 0.569 nan 8.290 nan 0.000 0.546 122 Y N -2.099 118.360 120.300 0.265 0.000 2.553 122 Y HA 0.702 5.252 4.550 -0.000 0.000 0.347 122 Y C -0.163 175.950 175.900 0.355 0.000 1.019 122 Y CA -2.231 56.073 58.100 0.339 0.000 1.032 122 Y CB 1.050 39.626 38.460 0.193 0.000 1.284 122 Y HN -0.235 nan 8.280 nan 0.000 0.466 123 K N 2.089 122.698 120.400 0.349 0.000 2.401 123 K HA 0.482 4.802 4.320 -0.000 0.000 0.278 123 K C -0.416 176.263 176.600 0.132 0.000 1.018 123 K CA 0.203 56.536 56.287 0.077 0.000 0.981 123 K CB 0.620 33.117 32.500 -0.006 0.000 0.933 123 K HN 0.909 nan 8.250 nan 0.000 0.477 124 S N 0.980 116.648 115.700 -0.054 0.000 2.570 124 S HA 0.175 4.645 4.470 -0.000 0.000 0.270 124 S C 0.052 174.621 174.600 -0.051 0.000 1.149 124 S CA -1.123 57.053 58.200 -0.041 0.000 0.837 124 S CB 0.646 63.670 63.200 -0.293 0.000 1.124 124 S HN 0.901 nan 8.310 nan 0.000 0.465 125 W N 1.309 122.563 121.300 -0.076 0.000 2.402 125 W HA -0.084 4.576 4.660 -0.000 0.000 0.286 125 W C 1.537 178.037 176.519 -0.031 0.000 1.221 125 W CA 2.203 59.550 57.345 0.003 0.000 1.257 125 W CB -0.081 29.392 29.460 0.022 0.000 1.120 125 W HN 1.050 nan 8.180 nan 0.000 0.551 126 E N 0.880 121.017 120.200 -0.104 0.000 2.051 126 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 126 E C 2.208 178.581 176.600 -0.378 0.000 0.991 126 E CA 2.420 58.695 56.400 -0.208 0.000 0.799 126 E CB -0.693 28.843 29.700 -0.274 0.000 0.748 126 E HN 0.071 nan 8.360 nan 0.000 0.449 127 A N -0.274 122.191 122.820 -0.593 0.000 1.929 127 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 127 A C 2.158 179.511 177.584 -0.384 0.000 1.176 127 A CA 1.230 52.957 52.037 -0.517 0.000 0.628 127 A CB -0.866 17.848 19.000 -0.478 0.000 0.816 127 A HN 0.469 nan 8.150 nan 0.000 0.444 128 F N 2.042 121.688 119.950 -0.507 0.000 2.113 128 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 128 F C 2.585 178.049 175.800 -0.561 0.000 1.103 128 F CA 2.115 59.781 58.000 -0.558 0.000 1.248 128 F CB -0.348 38.205 39.000 -0.745 0.000 0.999 128 F HN 0.277 nan 8.300 nan 0.000 0.475 129 S N -0.755 114.431 115.700 -0.857 0.000 2.458 129 S HA -0.017 4.453 4.470 -0.000 0.000 0.223 129 S C 0.955 175.312 174.600 -0.404 0.000 1.019 129 S CA 0.110 57.846 58.200 -0.773 0.000 0.937 129 S CB -0.733 62.184 63.200 -0.472 0.000 0.788 129 S HN 0.366 nan 8.310 nan 0.000 0.511 130 N N 1.968 120.531 118.700 -0.228 0.000 2.415 130 N HA 0.237 4.977 4.740 -0.000 0.000 0.250 130 N C 0.396 175.922 175.510 0.026 0.000 1.127 130 N CA -0.137 52.919 53.050 0.010 0.000 0.945 130 N CB 0.374 39.026 38.487 0.275 0.000 1.196 130 N HN 0.387 nan 8.380 nan 0.000 0.499 131 L N 1.561 122.767 121.223 -0.028 0.000 2.552 131 L HA 0.002 4.342 4.340 -0.000 0.000 0.227 131 L C 1.692 178.658 176.870 0.161 0.000 1.146 131 L CA 0.292 55.141 54.840 0.014 0.000 0.858 131 L CB -0.036 42.020 42.059 -0.004 0.000 0.969 131 L HN 0.390 nan 8.230 nan 0.000 0.451 132 S N -1.537 114.224 115.700 0.101 0.000 2.489 132 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 132 S C 0.346 174.955 174.600 0.014 0.000 0.995 132 S CA 0.263 58.489 58.200 0.044 0.000 0.934 132 S CB -0.120 63.102 63.200 0.036 0.000 0.771 132 S HN 0.226 nan 8.310 nan 0.000 0.522 133 Y N 0.472 120.750 120.300 -0.036 0.000 2.301 133 Y HA 0.338 4.888 4.550 -0.000 0.000 0.325 133 Y C 0.149 175.967 175.900 -0.135 0.000 1.203 133 Y CA -1.093 56.854 58.100 -0.254 0.000 1.255 133 Y CB 0.320 38.621 38.460 -0.266 0.000 1.232 133 Y HN 0.052 nan 8.280 nan 0.000 0.501 134 Y N 0.898 121.238 120.300 0.066 0.000 2.480 134 Y HA 0.069 4.619 4.550 -0.000 0.000 0.338 134 Y C 1.053 176.978 175.900 0.041 0.000 1.220 134 Y CA 0.070 58.223 58.100 0.088 0.000 1.430 134 Y CB 0.508 38.978 38.460 0.016 0.000 1.311 134 Y HN 0.554 nan 8.280 nan 0.000 0.575 135 T N 3.118 117.785 114.554 0.189 0.000 2.770 135 T HA 0.422 4.772 4.350 -0.000 0.000 0.281 135 T C -0.342 174.409 174.700 0.086 0.000 0.981 135 T CA -0.693 61.446 62.100 0.065 0.000 0.955 135 T CB 0.340 69.209 68.868 0.002 0.000 1.060 135 T HN 0.433 nan 8.240 nan 0.000 0.531 136 R N 0.936 121.490 120.500 0.090 0.000 2.502 136 R HA 0.528 4.868 4.340 -0.000 0.000 0.300 136 R C 0.711 177.134 176.300 0.205 0.000 0.984 136 R CA -0.422 55.751 56.100 0.121 0.000 0.882 136 R CB 1.354 31.715 30.300 0.101 0.000 1.180 136 R HN 0.725 nan 8.270 nan 0.000 0.444 137 A N 3.850 126.840 122.820 0.283 0.000 1.972 137 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 137 A C 0.720 178.436 177.584 0.220 0.000 1.169 137 A CA 1.104 53.353 52.037 0.354 0.000 0.635 137 A CB 0.152 19.562 19.000 0.682 0.000 0.810 137 A HN 0.489 nan 8.150 nan 0.000 0.446 138 L N 0.174 121.490 121.223 0.154 0.000 2.381 138 L HA 0.378 4.717 4.340 -0.000 0.000 0.268 138 L C -2.513 174.286 176.870 -0.118 0.000 0.997 138 L CA -2.582 52.204 54.840 -0.090 0.000 0.818 138 L CB 2.631 44.411 42.059 -0.464 0.000 1.310 138 L HN 0.007 nan 8.230 nan 0.000 0.416 139 P HA 0.159 nan 4.420 nan 0.000 0.272 139 P C -2.701 174.478 177.300 -0.201 0.000 1.230 139 P CA -1.294 61.568 63.100 -0.397 0.000 0.788 139 P CB -0.299 30.905 31.700 -0.826 0.000 0.949 140 P HA 0.021 nan 4.420 nan 0.000 0.272 140 P C -0.256 177.018 177.300 -0.044 0.000 1.230 140 P CA 0.010 63.093 63.100 -0.028 0.000 0.788 140 P CB 0.327 32.036 31.700 0.015 0.000 0.949 141 V N 1.855 121.770 119.914 0.002 0.000 2.521 141 V HA 0.160 4.280 4.120 -0.000 0.000 0.286 141 V C 1.223 177.323 176.094 0.011 0.000 1.034 141 V CA -0.131 62.168 62.300 -0.001 0.000 1.045 141 V CB -0.151 31.689 31.823 0.028 0.000 0.974 141 V HN 0.741 nan 8.190 nan 0.000 0.480 142 A N 3.911 126.731 122.820 0.001 0.000 2.520 142 A HA 0.095 4.415 4.320 -0.000 0.000 0.235 142 A C 1.173 178.774 177.584 0.028 0.000 1.065 142 A CA -0.207 51.840 52.037 0.017 0.000 0.764 142 A CB -0.031 18.980 19.000 0.018 0.000 1.002 142 A HN 0.890 nan 8.150 nan 0.000 0.502 143 D N 0.368 120.788 120.400 0.033 0.000 2.263 143 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 143 D C 0.837 177.158 176.300 0.034 0.000 0.971 143 D CA 1.728 55.750 54.000 0.036 0.000 0.867 143 D CB 0.049 40.870 40.800 0.034 0.000 0.929 143 D HN 0.757 nan 8.370 nan 0.000 0.492 144 D N -0.469 119.952 120.400 0.034 0.000 2.388 144 D HA -0.019 4.621 4.640 -0.000 0.000 0.221 144 D C 0.018 176.337 176.300 0.033 0.000 1.133 144 D CA -0.393 53.629 54.000 0.036 0.000 0.831 144 D CB -0.891 39.935 40.800 0.043 0.000 0.962 144 D HN -0.038 nan 8.370 nan 0.000 0.502 145 c N 2.302 120.919 118.600 0.028 0.000 2.652 145 c HA 0.196 4.766 4.570 -0.000 0.000 0.412 145 c C -0.283 173.823 174.090 0.026 0.000 1.294 145 c CA -0.951 55.392 56.329 0.023 0.000 2.127 145 c CB 1.313 43.833 42.510 0.016 0.000 2.691 145 c HN 0.294 nan 8.230 nan 0.000 0.615 146 P HA -0.025 nan 4.420 nan 0.000 0.221 146 P C 0.416 177.732 177.300 0.027 0.000 1.150 146 P CA 1.417 64.532 63.100 0.025 0.000 0.800 146 P CB -0.032 31.682 31.700 0.024 0.000 0.787 147 T N -5.881 108.691 114.554 0.030 0.000 2.916 147 T HA 0.467 4.817 4.350 -0.000 0.000 0.292 147 T C -2.402 172.324 174.700 0.044 0.000 1.064 147 T CA -2.197 59.925 62.100 0.037 0.000 1.011 147 T CB 1.960 70.852 68.868 0.041 0.000 1.152 147 T HN -0.343 nan 8.240 nan 0.000 0.510 148 P HA -0.040 nan 4.420 nan 0.000 0.216 148 P C 1.306 178.650 177.300 0.074 0.000 1.150 148 P CA 1.176 64.316 63.100 0.066 0.000 0.843 148 P CB 0.003 31.748 31.700 0.076 0.000 0.787 149 M N -2.632 117.012 119.600 0.074 0.000 2.495 149 M HA 0.287 4.767 4.480 -0.000 0.000 0.237 149 M C 1.356 177.677 176.300 0.034 0.000 1.131 149 M CA 0.638 55.980 55.300 0.070 0.000 1.032 149 M CB -0.560 32.090 32.600 0.084 0.000 1.513 149 M HN 0.107 nan 8.290 nan 0.000 0.488 150 G N 0.336 109.152 108.800 0.027 0.000 1.929 150 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 150 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 150 G C 0.365 175.270 174.900 0.009 0.000 2.200 150 G CA 0.344 45.447 45.100 0.005 0.000 1.552 150 G HN 0.350 nan 8.290 nan 0.000 0.498 151 V N -1.310 118.608 119.914 0.006 0.000 3.539 151 V HA 0.534 4.653 4.120 -0.000 0.000 0.262 151 V C 0.807 176.915 176.094 0.022 0.000 1.381 151 V CA 1.216 63.523 62.300 0.011 0.000 1.060 151 V CB 0.150 31.974 31.823 0.002 0.000 0.842 151 V HN 0.419 nan 8.190 nan 0.000 0.445 152 K N 1.496 121.912 120.400 0.026 0.000 2.126 152 K HA 0.606 4.926 4.320 -0.000 0.000 0.257 152 K C 0.685 177.320 176.600 0.057 0.000 1.007 152 K CA 0.624 56.935 56.287 0.040 0.000 0.928 152 K CB 0.914 33.438 32.500 0.039 0.000 1.013 152 K HN 0.725 nan 8.250 nan 0.000 0.473 153 G N 1.179 110.019 108.800 0.067 0.000 2.681 153 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 153 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 153 G C -0.834 174.101 174.900 0.058 0.000 1.353 153 G CA -0.812 44.337 45.100 0.081 0.000 0.872 153 G HN 0.612 nan 8.290 nan 0.000 0.557 154 N N 0.238 118.970 118.700 0.053 0.000 2.458 154 N HA 0.351 5.091 4.740 -0.000 0.000 0.271 154 N C 1.354 176.882 175.510 0.030 0.000 1.210 154 N CA -0.561 52.509 53.050 0.033 0.000 0.978 154 N CB 0.906 39.404 38.487 0.018 0.000 1.206 154 N HN 0.502 nan 8.380 nan 0.000 0.536 155 K N 0.711 121.124 120.400 0.022 0.000 2.281 155 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 155 K C -0.191 176.421 176.600 0.020 0.000 1.046 155 K CA 1.289 57.588 56.287 0.021 0.000 0.938 155 K CB 0.003 32.513 32.500 0.016 0.000 0.737 155 K HN 0.595 nan 8.250 nan 0.000 0.458 156 E N 0.108 120.317 120.200 0.014 0.000 2.292 156 E HA 0.227 4.576 4.350 -0.000 0.000 0.272 156 E C -1.063 175.535 176.600 -0.003 0.000 0.881 156 E CA -0.783 55.621 56.400 0.007 0.000 0.754 156 E CB 1.717 31.415 29.700 -0.003 0.000 1.201 156 E HN -0.221 nan 8.360 nan 0.000 0.425 157 L N 3.183 124.409 121.223 0.003 0.000 2.473 157 L HA 0.242 4.582 4.340 -0.000 0.000 0.268 157 L C -1.842 174.966 176.870 -0.103 0.000 1.215 157 L CA -1.705 53.122 54.840 -0.022 0.000 0.823 157 L CB -0.746 41.336 42.059 0.038 0.000 1.099 157 L HN 0.466 nan 8.230 nan 0.000 0.483 158 P HA -0.025 nan 4.420 nan 0.000 0.269 158 P C -0.496 176.710 177.300 -0.157 0.000 1.215 158 P CA -0.431 62.508 63.100 -0.269 0.000 0.780 158 P CB 0.323 31.698 31.700 -0.542 0.000 0.898 159 D N 1.257 121.590 120.400 -0.112 0.000 2.581 159 D HA -0.073 4.567 4.640 -0.000 0.000 0.238 159 D C 1.219 177.489 176.300 -0.050 0.000 1.145 159 D CA 0.503 54.465 54.000 -0.064 0.000 0.866 159 D CB 0.707 41.475 40.800 -0.053 0.000 1.151 159 D HN 0.317 nan 8.370 nan 0.000 0.500 160 S N 4.014 119.701 115.700 -0.022 0.000 2.402 160 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 160 S C 1.782 176.390 174.600 0.014 0.000 1.021 160 S CA 0.875 59.080 58.200 0.008 0.000 0.974 160 S CB -0.048 63.162 63.200 0.016 0.000 0.800 160 S HN 0.644 nan 8.310 nan 0.000 0.484 161 K N 1.186 121.586 120.400 0.000 0.000 2.097 161 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 161 K C 2.138 178.738 176.600 -0.000 0.000 1.049 161 K CA 1.646 57.934 56.287 0.002 0.000 0.933 161 K CB -0.201 32.296 32.500 -0.005 0.000 0.717 161 K HN 0.347 nan 8.250 nan 0.000 0.442 162 E N 0.130 120.321 120.200 -0.014 0.000 2.072 162 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 162 E C 1.829 178.425 176.600 -0.008 0.000 0.985 162 E CA 1.117 57.504 56.400 -0.021 0.000 0.801 162 E CB 0.051 29.723 29.700 -0.047 0.000 0.750 162 E HN 0.123 nan 8.360 nan 0.000 0.452 163 V N 1.069 120.985 119.914 0.005 0.000 2.295 163 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 163 V C 2.404 178.529 176.094 0.052 0.000 1.049 163 V CA 1.648 63.978 62.300 0.049 0.000 1.024 163 V CB -0.586 31.301 31.823 0.107 0.000 0.648 163 V HN 0.374 nan 8.190 nan 0.000 0.447 164 L N 0.024 121.279 121.223 0.052 0.000 1.978 164 L HA -0.292 4.048 4.340 -0.000 0.000 0.218 164 L C 2.665 179.555 176.870 0.032 0.000 1.075 164 L CA 2.402 57.274 54.840 0.054 0.000 0.767 164 L CB -0.403 41.684 42.059 0.047 0.000 0.890 164 L HN 0.447 nan 8.230 nan 0.000 0.434 165 E N -0.646 119.565 120.200 0.019 0.000 2.107 165 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 165 E C 2.174 178.777 176.600 0.005 0.000 0.982 165 E CA 1.033 57.439 56.400 0.009 0.000 0.809 165 E CB 0.109 29.810 29.700 0.002 0.000 0.756 165 E HN 0.513 nan 8.360 nan 0.000 0.459 166 K N 0.261 120.663 120.400 0.003 0.000 2.116 166 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 166 K C 2.042 178.642 176.600 -0.001 0.000 1.052 166 K CA 1.462 57.747 56.287 -0.003 0.000 0.952 166 K CB 0.423 32.916 32.500 -0.010 0.000 0.729 166 K HN 0.134 nan 8.250 nan 0.000 0.446 167 V N -2.924 116.994 119.914 0.007 0.000 3.548 167 V HA 0.170 4.290 4.120 -0.000 0.000 0.279 167 V C 1.312 177.404 176.094 -0.003 0.000 1.446 167 V CA -0.027 62.274 62.300 0.000 0.000 1.023 167 V CB -0.079 31.747 31.823 0.004 0.000 0.820 167 V HN 0.057 nan 8.190 nan 0.000 0.438 168 L N 0.013 121.242 121.223 0.010 0.000 2.362 168 L HA 0.402 4.742 4.340 -0.000 0.000 0.204 168 L C 0.928 177.813 176.870 0.025 0.000 1.060 168 L CA 0.282 55.130 54.840 0.014 0.000 0.827 168 L CB 0.157 42.237 42.059 0.036 0.000 1.027 168 L HN 0.198 nan 8.230 nan 0.000 0.474 169 L N 1.662 122.899 121.223 0.024 0.000 2.416 169 L HA 0.098 4.438 4.340 -0.000 0.000 0.272 169 L C 0.758 177.641 176.870 0.021 0.000 1.161 169 L CA 0.030 54.885 54.840 0.025 0.000 0.845 169 L CB 0.426 42.495 42.059 0.017 0.000 1.119 169 L HN 0.216 nan 8.230 nan 0.000 0.464 170 R N 3.336 123.855 120.500 0.031 0.000 2.442 170 R HA 0.107 4.447 4.340 -0.000 0.000 0.291 170 R C 0.601 176.919 176.300 0.030 0.000 1.069 170 R CA -0.381 55.740 56.100 0.036 0.000 1.022 170 R CB 0.723 31.065 30.300 0.070 0.000 0.976 170 R HN 0.625 nan 8.270 nan 0.000 0.443 171 R N 3.080 123.593 120.500 0.022 0.000 2.039 171 R HA 0.085 4.425 4.340 -0.000 0.000 0.218 171 R C 0.253 176.575 176.300 0.037 0.000 1.220 171 R CA 0.680 56.793 56.100 0.022 0.000 0.993 171 R CB -0.480 29.826 30.300 0.010 0.000 0.881 171 R HN 0.646 nan 8.270 nan 0.000 0.450 172 E N 0.669 120.890 120.200 0.035 0.000 2.191 172 E HA 0.188 4.538 4.350 -0.000 0.000 0.274 172 E C -1.285 175.366 176.600 0.084 0.000 0.948 172 E CA -0.752 55.684 56.400 0.061 0.000 0.802 172 E CB 1.189 30.910 29.700 0.034 0.000 1.137 172 E HN 0.002 nan 8.360 nan 0.000 0.397 173 F N 5.074 125.015 119.950 -0.015 0.000 2.590 173 F HA 0.122 4.649 4.527 -0.000 0.000 0.389 173 F C -0.507 175.278 175.800 -0.025 0.000 1.049 173 F CA 0.209 58.198 58.000 -0.019 0.000 1.199 173 F CB 0.268 39.252 39.000 -0.026 0.000 1.058 173 F HN 0.351 nan 8.300 nan 0.000 0.556 174 I N 9.404 129.559 120.570 -0.692 0.000 2.330 174 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 174 I C -2.048 173.502 176.117 -0.945 0.000 1.025 174 I CA -2.185 58.753 61.300 -0.604 0.000 1.197 174 I CB 0.919 38.725 38.000 -0.323 0.000 1.358 174 I HN 0.438 nan 8.210 nan 0.000 0.467 175 P HA 0.035 nan 4.420 nan 0.000 0.274 175 P C -0.781 176.327 177.300 -0.320 0.000 1.237 175 P CA -0.277 62.500 63.100 -0.539 0.000 0.793 175 P CB 0.816 32.427 31.700 -0.149 0.000 0.977 176 D N 2.624 122.888 120.400 -0.225 0.000 2.371 176 D HA 0.055 4.695 4.640 -0.000 0.000 0.256 176 D C -1.190 175.007 176.300 -0.171 0.000 1.193 176 D CA -2.046 51.825 54.000 -0.215 0.000 0.881 176 D CB 0.358 41.027 40.800 -0.218 0.000 1.143 176 D HN 0.151 nan 8.370 nan 0.000 0.473 177 P HA -0.162 nan 4.420 nan 0.000 0.220 177 P C 0.765 177.979 177.300 -0.142 0.000 1.148 177 P CA 1.011 64.027 63.100 -0.140 0.000 0.803 177 P CB 0.260 31.878 31.700 -0.138 0.000 0.782 178 Q N -0.963 118.718 119.800 -0.199 0.000 2.482 178 Q HA 0.148 4.488 4.340 -0.000 0.000 0.209 178 Q C 1.180 177.133 176.000 -0.078 0.000 0.961 178 Q CA 0.551 56.229 55.803 -0.208 0.000 0.945 178 Q CB -0.417 28.079 28.738 -0.404 0.000 1.012 178 Q HN 0.279 nan 8.270 nan 0.000 0.515 179 G N 1.013 109.772 108.800 -0.068 0.000 2.153 179 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 179 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 179 G C 0.050 174.942 174.900 -0.013 0.000 0.994 179 G CA 0.283 45.375 45.100 -0.013 0.000 0.698 179 G HN 0.306 nan 8.290 nan 0.000 0.521 180 S N 0.960 116.626 115.700 -0.057 0.000 2.558 180 S HA 0.340 4.809 4.470 -0.000 0.000 0.293 180 S C 0.861 175.445 174.600 -0.026 0.000 1.292 180 S CA 0.690 58.790 58.200 -0.166 0.000 1.063 180 S CB 0.568 63.565 63.200 -0.339 0.000 0.831 180 S HN 1.010 nan 8.310 nan 0.000 0.499 181 N N 1.769 120.500 118.700 0.052 0.000 2.813 181 N HA 0.391 5.131 4.740 -0.000 0.000 0.320 181 N C 0.493 176.117 175.510 0.190 0.000 1.315 181 N CA -0.888 52.242 53.050 0.133 0.000 0.871 181 N CB -0.041 38.537 38.487 0.152 0.000 1.241 181 N HN 0.262 nan 8.380 nan 0.000 0.602 182 M N -0.450 119.238 119.600 0.147 0.000 2.419 182 M HA 0.148 4.628 4.480 -0.000 0.000 0.264 182 M C 1.405 177.809 176.300 0.174 0.000 1.082 182 M CA 0.839 56.133 55.300 -0.009 0.000 1.119 182 M CB -1.018 31.462 32.600 -0.199 0.000 1.398 182 M HN 0.513 nan 8.290 nan 0.000 0.453 183 M N -0.885 118.944 119.600 0.382 0.000 2.117 183 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 183 M C 2.253 178.972 176.300 0.698 0.000 1.065 183 M CA 1.533 57.179 55.300 0.577 0.000 1.114 183 M CB -1.384 31.512 32.600 0.492 0.000 1.361 183 M HN 0.224 nan 8.290 nan 0.000 0.408 184 F N 1.098 121.284 119.950 0.393 0.000 2.084 184 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 184 F C 2.345 178.260 175.800 0.192 0.000 1.111 184 F CA 1.771 59.848 58.000 0.128 0.000 1.224 184 F CB -0.503 38.442 39.000 -0.093 0.000 0.991 184 F HN 0.116 nan 8.300 nan 0.000 0.471 185 A N 0.290 123.195 122.820 0.141 0.000 1.873 185 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 185 A C 2.056 179.567 177.584 -0.120 0.000 1.193 185 A CA 2.098 54.100 52.037 -0.058 0.000 0.629 185 A CB -1.594 17.284 19.000 -0.204 0.000 0.826 185 A HN 0.454 nan 8.150 nan 0.000 0.447 186 F N -1.929 118.113 119.950 0.152 0.000 2.325 186 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 186 F C 1.872 177.745 175.800 0.122 0.000 1.090 186 F CA 0.356 58.459 58.000 0.172 0.000 1.392 186 F CB -0.717 38.431 39.000 0.246 0.000 1.053 186 F HN 0.335 nan 8.300 nan 0.000 0.521 187 F N 0.633 120.643 119.950 0.101 0.000 2.134 187 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 187 F C 2.331 178.015 175.800 -0.194 0.000 1.097 187 F CA 1.293 59.086 58.000 -0.345 0.000 1.264 187 F CB -0.414 38.465 39.000 -0.201 0.000 1.001 187 F HN -0.076 nan 8.300 nan 0.000 0.479 188 A N -0.221 122.630 122.820 0.050 0.000 1.877 188 A HA -0.250 4.069 4.320 -0.000 0.000 0.216 188 A C 2.213 179.764 177.584 -0.056 0.000 1.186 188 A CA 1.756 53.856 52.037 0.104 0.000 0.620 188 A CB -1.064 18.041 19.000 0.175 0.000 0.822 188 A HN 0.564 nan 8.150 nan 0.000 0.443 189 Q N -1.266 118.485 119.800 -0.081 0.000 2.020 189 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 189 Q C 2.179 177.941 176.000 -0.397 0.000 0.982 189 Q CA 1.827 57.468 55.803 -0.269 0.000 0.838 189 Q CB -0.357 28.266 28.738 -0.191 0.000 0.899 189 Q HN 0.884 nan 8.270 nan 0.000 0.423 190 H N -0.551 118.278 119.070 -0.400 0.000 2.293 190 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 190 H C 2.023 177.170 175.328 -0.301 0.000 1.082 190 H CA 1.811 57.591 56.048 -0.447 0.000 1.308 190 H CB -0.390 29.099 29.762 -0.455 0.000 1.375 190 H HN 0.357 nan 8.280 nan 0.000 0.495 191 F N 2.139 121.715 119.950 -0.624 0.000 2.069 191 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 191 F C 2.787 178.012 175.800 -0.959 0.000 1.113 191 F CA 2.622 60.155 58.000 -0.778 0.000 1.214 191 F CB -0.926 37.554 39.000 -0.867 0.000 0.978 191 F HN 0.263 nan 8.300 nan 0.000 0.474 192 T N -2.977 110.896 114.554 -1.135 0.000 2.995 192 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 192 T C 1.407 175.188 174.700 -1.531 0.000 1.091 192 T CA 1.466 62.478 62.100 -1.814 0.000 1.128 192 T CB -0.887 67.230 68.868 -1.251 0.000 0.891 192 T HN 0.389 nan 8.240 nan 0.000 0.492 193 H N 1.664 120.180 119.070 -0.923 0.000 2.553 193 H HA 0.169 4.725 4.556 -0.000 0.000 0.269 193 H C 2.320 177.283 175.328 -0.608 0.000 1.011 193 H CA 0.667 56.400 56.048 -0.525 0.000 1.150 193 H CB -0.222 29.500 29.762 -0.066 0.000 1.339 193 H HN 0.762 nan 8.280 nan 0.000 0.604 194 Q N -0.197 119.037 119.800 -0.942 0.000 2.302 194 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 194 Q C 0.837 176.452 176.000 -0.641 0.000 0.936 194 Q CA 0.971 56.267 55.803 -0.844 0.000 0.886 194 Q CB -0.081 27.930 28.738 -1.213 0.000 0.986 194 Q HN 0.579 nan 8.270 nan 0.000 0.487 195 F N -2.747 116.793 119.950 -0.683 0.000 2.746 195 F HA 0.485 5.012 4.527 -0.000 0.000 0.313 195 F C -0.241 175.319 175.800 -0.401 0.000 1.095 195 F CA -1.155 56.505 58.000 -0.566 0.000 1.224 195 F CB 0.523 39.167 39.000 -0.593 0.000 1.060 195 F HN -0.233 nan 8.300 nan 0.000 0.584 196 F N 3.756 123.465 119.950 -0.402 0.000 2.335 196 F HA 0.508 5.035 4.527 -0.000 0.000 0.365 196 F C -0.078 175.507 175.800 -0.359 0.000 1.122 196 F CA -1.654 56.157 58.000 -0.315 0.000 1.151 196 F CB 0.749 39.414 39.000 -0.559 0.000 1.282 196 F HN -0.013 nan 8.300 nan 0.000 0.513 197 K N 2.144 122.544 120.400 0.001 0.000 2.950 197 K HA 0.180 4.500 4.320 -0.000 0.000 0.199 197 K C -0.564 175.970 176.600 -0.110 0.000 1.144 197 K CA -0.322 55.897 56.287 -0.113 0.000 0.983 197 K CB 1.221 33.614 32.500 -0.177 0.000 1.187 197 K HN 0.344 nan 8.250 nan 0.000 0.595 198 T N 1.384 115.876 114.554 -0.103 0.000 2.888 198 T HA -0.036 4.314 4.350 -0.000 0.000 0.301 198 T C 0.132 174.570 174.700 -0.437 0.000 1.001 198 T CA 0.308 62.284 62.100 -0.207 0.000 1.147 198 T CB 0.430 69.140 68.868 -0.263 0.000 0.931 198 T HN 0.252 nan 8.240 nan 0.000 0.541 199 D N 1.707 121.941 120.400 -0.276 0.000 2.483 199 D HA 0.029 4.669 4.640 -0.000 0.000 0.220 199 D C 1.179 177.370 176.300 -0.181 0.000 1.173 199 D CA -0.298 53.575 54.000 -0.212 0.000 0.964 199 D CB 0.064 40.775 40.800 -0.148 0.000 1.046 199 D HN 0.533 nan 8.370 nan 0.000 0.517 200 H N 2.373 121.441 119.070 -0.004 0.000 2.518 200 H HA -0.047 4.509 4.556 -0.000 0.000 0.289 200 H C 1.377 176.688 175.328 -0.028 0.000 1.051 200 H CA 0.716 56.764 56.048 0.001 0.000 1.280 200 H CB 0.543 30.306 29.762 0.002 0.000 1.380 200 H HN 0.466 nan 8.280 nan 0.000 0.566 201 K N 0.728 121.142 120.400 0.023 0.000 2.217 201 K HA -0.031 4.288 4.320 -0.000 0.000 0.202 201 K C 2.033 178.569 176.600 -0.106 0.000 1.051 201 K CA 0.614 56.880 56.287 -0.036 0.000 0.952 201 K CB 0.259 32.720 32.500 -0.064 0.000 0.736 201 K HN 0.296 nan 8.250 nan 0.000 0.453 202 R N 0.159 120.549 120.500 -0.182 0.000 2.123 202 R HA 0.107 4.446 4.340 -0.000 0.000 0.209 202 R C 0.805 177.008 176.300 -0.161 0.000 1.078 202 R CA 0.675 56.538 56.100 -0.395 0.000 1.028 202 R CB 0.592 30.340 30.300 -0.920 0.000 0.939 202 R HN 0.241 nan 8.270 nan 0.000 0.463 203 G N -0.335 108.504 108.800 0.065 0.000 2.347 203 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.321 203 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.321 203 G C -2.583 172.466 174.900 0.249 0.000 1.412 203 G CA -0.931 44.297 45.100 0.214 0.000 0.990 203 G HN -0.209 nan 8.290 nan 0.000 0.637 204 P HA 0.028 nan 4.420 nan 0.000 0.222 204 P C 1.588 178.980 177.300 0.154 0.000 1.147 204 P CA 1.649 64.822 63.100 0.122 0.000 0.790 204 P CB 0.047 31.777 31.700 0.050 0.000 0.780 205 G N -1.889 106.979 108.800 0.113 0.000 3.088 205 G HA2 0.133 4.092 3.960 -0.000 0.000 0.212 205 G HA3 0.133 4.092 3.960 -0.000 0.000 0.212 205 G C -0.057 174.692 174.900 -0.252 0.000 1.173 205 G CA -0.099 44.991 45.100 -0.018 0.000 0.779 205 G HN 0.150 nan 8.290 nan 0.000 0.540 206 F N -0.731 119.212 119.950 -0.012 0.000 2.522 206 F HA 0.636 5.163 4.527 -0.000 0.000 0.324 206 F C 0.329 175.848 175.800 -0.467 0.000 1.077 206 F CA -0.795 57.044 58.000 -0.269 0.000 0.944 206 F CB 2.556 41.383 39.000 -0.288 0.000 1.175 206 F HN -0.177 nan 8.300 nan 0.000 0.468 207 T N 0.775 115.044 114.554 -0.475 0.000 2.907 207 T HA 0.431 4.781 4.350 -0.000 0.000 0.292 207 T C 0.568 175.065 174.700 -0.339 0.000 1.043 207 T CA -0.570 61.153 62.100 -0.629 0.000 1.003 207 T CB 1.294 69.492 68.868 -1.117 0.000 1.084 207 T HN 0.711 nan 8.240 nan 0.000 0.483 208 R N 1.627 121.956 120.500 -0.284 0.000 2.290 208 R HA 0.249 4.589 4.340 -0.000 0.000 0.197 208 R C 1.229 177.394 176.300 -0.224 0.000 0.913 208 R CA -0.014 55.959 56.100 -0.212 0.000 1.040 208 R CB 0.451 30.648 30.300 -0.171 0.000 0.992 208 R HN 0.586 nan 8.270 nan 0.000 0.500 209 G N 1.026 109.651 108.800 -0.292 0.000 2.807 209 G HA2 0.210 4.170 3.960 -0.000 0.000 0.316 209 G HA3 0.210 4.170 3.960 -0.000 0.000 0.316 209 G C 0.547 175.223 174.900 -0.372 0.000 0.900 209 G CA -0.408 44.520 45.100 -0.286 0.000 1.499 209 G HN 0.134 nan 8.290 nan 0.000 0.484 210 L N 2.098 123.190 121.223 -0.219 0.000 2.552 210 L HA 0.092 4.432 4.340 -0.000 0.000 0.227 210 L C 2.579 179.455 176.870 0.010 0.000 1.146 210 L CA 0.606 55.380 54.840 -0.110 0.000 0.858 210 L CB 0.286 42.314 42.059 -0.051 0.000 0.969 210 L HN 0.561 nan 8.230 nan 0.000 0.451 211 G N -2.262 106.507 108.800 -0.051 0.000 2.650 211 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.214 211 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.214 211 G C 0.609 175.543 174.900 0.057 0.000 1.136 211 G CA -0.185 44.918 45.100 0.006 0.000 0.789 211 G HN 0.542 nan 8.290 nan 0.000 0.536 212 H N -0.364 118.664 119.070 -0.070 0.000 2.594 212 H HA -0.177 4.379 4.556 -0.000 0.000 0.316 212 H C 1.175 176.431 175.328 -0.121 0.000 1.107 212 H CA 1.138 57.141 56.048 -0.075 0.000 1.133 212 H CB -1.312 28.403 29.762 -0.078 0.000 1.459 212 H HN 0.741 nan 8.280 nan 0.000 0.411 213 G N -1.682 107.080 108.800 -0.064 0.000 2.392 213 G HA2 0.218 4.178 3.960 -0.000 0.000 0.260 213 G HA3 0.218 4.178 3.960 -0.000 0.000 0.260 213 G C -0.805 174.075 174.900 -0.033 0.000 1.226 213 G CA -0.239 44.768 45.100 -0.155 0.000 0.913 213 G HN 0.143 nan 8.290 nan 0.000 0.483 214 V N 2.490 122.394 119.914 -0.016 0.000 2.223 214 V HA 0.281 4.401 4.120 -0.000 0.000 0.249 214 V C 0.361 176.476 176.094 0.036 0.000 1.233 214 V CA 0.836 63.154 62.300 0.030 0.000 1.131 214 V CB 0.172 32.068 31.823 0.123 0.000 1.298 214 V HN 0.752 nan 8.190 nan 0.000 0.498 215 D N 2.751 123.157 120.400 0.009 0.000 2.433 215 D HA 0.065 4.704 4.640 -0.000 0.000 0.211 215 D C 0.962 177.332 176.300 0.115 0.000 1.114 215 D CA -0.343 53.688 54.000 0.051 0.000 0.837 215 D CB 0.101 40.918 40.800 0.028 0.000 0.984 215 D HN 0.325 nan 8.370 nan 0.000 0.505 216 L N 0.656 121.939 121.223 0.100 0.000 4.040 216 L HA -0.349 3.991 4.340 -0.000 0.000 0.410 216 L C 0.896 177.937 176.870 0.285 0.000 1.187 216 L CA 0.709 55.700 54.840 0.252 0.000 0.956 216 L CB -2.557 39.659 42.059 0.262 0.000 2.022 216 L HN 0.296 nan 8.230 nan 0.000 0.897 217 N N 0.199 118.986 118.700 0.146 0.000 2.430 217 N HA -0.215 4.524 4.740 -0.000 0.000 0.186 217 N C 1.714 177.233 175.510 0.016 0.000 1.032 217 N CA 1.776 54.873 53.050 0.077 0.000 0.893 217 N CB -0.243 38.229 38.487 -0.025 0.000 0.957 217 N HN 0.738 nan 8.380 nan 0.000 0.442 218 H N -0.893 118.023 119.070 -0.257 0.000 2.555 218 H HA 0.154 4.709 4.556 -0.000 0.000 0.269 218 H C 1.385 176.560 175.328 -0.255 0.000 0.988 218 H CA 0.532 56.355 56.048 -0.374 0.000 1.178 218 H CB -0.273 29.229 29.762 -0.435 0.000 1.373 218 H HN 0.428 nan 8.280 nan 0.000 0.588 219 I N -0.998 119.328 120.570 -0.407 0.000 3.300 219 I HA -0.045 4.124 4.170 -0.000 0.000 0.279 219 I C 1.202 177.065 176.117 -0.424 0.000 1.172 219 I CA 0.180 61.158 61.300 -0.537 0.000 1.431 219 I CB 0.132 37.593 38.000 -0.899 0.000 1.240 219 I HN -0.022 nan 8.210 nan 0.000 0.453 220 Y N 1.280 121.566 120.300 -0.024 0.000 2.458 220 Y HA 0.460 5.010 4.550 -0.000 0.000 0.254 220 Y C 1.137 177.051 175.900 0.024 0.000 1.120 220 Y CA 0.074 58.201 58.100 0.045 0.000 1.282 220 Y CB 0.077 38.609 38.460 0.119 0.000 1.109 220 Y HN 0.132 nan 8.280 nan 0.000 0.526 221 G N 0.535 109.390 108.800 0.090 0.000 2.712 221 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 221 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 221 G C 0.254 175.166 174.900 0.020 0.000 1.181 221 G CA -0.398 44.716 45.100 0.023 0.000 0.762 221 G HN 0.013 nan 8.290 nan 0.000 0.641 222 E N -0.423 119.757 120.200 -0.034 0.000 2.077 222 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 222 E C 1.975 178.555 176.600 -0.033 0.000 0.989 222 E CA 2.007 58.380 56.400 -0.045 0.000 0.800 222 E CB -0.144 29.510 29.700 -0.076 0.000 0.746 222 E HN 1.061 nan 8.360 nan 0.000 0.452 223 T N -2.474 112.057 114.554 -0.039 0.000 2.940 223 T HA 0.338 4.688 4.350 -0.000 0.000 0.288 223 T C 1.323 175.979 174.700 -0.074 0.000 1.033 223 T CA -0.770 61.298 62.100 -0.053 0.000 1.033 223 T CB 1.466 70.300 68.868 -0.057 0.000 1.079 223 T HN -0.047 nan 8.240 nan 0.000 0.496 224 L N 0.241 121.389 121.223 -0.124 0.000 2.083 224 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 224 L C 2.299 178.964 176.870 -0.341 0.000 1.083 224 L CA 1.822 56.499 54.840 -0.271 0.000 0.752 224 L CB -0.407 41.474 42.059 -0.298 0.000 0.899 224 L HN 0.859 nan 8.230 nan 0.000 0.433 225 D N -0.385 119.907 120.400 -0.181 0.000 2.097 225 D HA -0.249 4.391 4.640 -0.000 0.000 0.195 225 D C 2.184 178.471 176.300 -0.021 0.000 0.989 225 D CA 1.179 55.127 54.000 -0.087 0.000 0.827 225 D CB 0.132 40.903 40.800 -0.047 0.000 0.966 225 D HN 0.266 nan 8.370 nan 0.000 0.456 226 R N 0.739 121.222 120.500 -0.028 0.000 2.075 226 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 226 R C 2.383 178.699 176.300 0.026 0.000 1.126 226 R CA 1.249 57.350 56.100 0.001 0.000 0.963 226 R CB -0.133 30.158 30.300 -0.014 0.000 0.858 226 R HN 0.180 nan 8.270 nan 0.000 0.435 227 Q N -0.251 119.556 119.800 0.013 0.000 2.061 227 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 227 Q C 1.666 177.716 176.000 0.083 0.000 0.984 227 Q CA 1.946 57.781 55.803 0.053 0.000 0.846 227 Q CB -0.158 28.603 28.738 0.038 0.000 0.902 227 Q HN 0.667 nan 8.270 nan 0.000 0.421 228 H N -0.495 118.562 119.070 -0.021 0.000 2.389 228 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 228 H C 2.008 177.403 175.328 0.111 0.000 1.081 228 H CA 0.975 57.068 56.048 0.075 0.000 1.345 228 H CB 0.296 30.185 29.762 0.212 0.000 1.393 228 H HN 0.202 nan 8.280 nan 0.000 0.520 229 K N 0.573 121.085 120.400 0.187 0.000 2.211 229 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 229 K C 1.801 178.445 176.600 0.073 0.000 1.050 229 K CA 0.691 57.051 56.287 0.121 0.000 0.945 229 K CB 0.168 32.716 32.500 0.080 0.000 0.732 229 K HN 0.249 nan 8.250 nan 0.000 0.451 230 L N 0.220 121.469 121.223 0.042 0.000 2.446 230 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 230 L C 0.655 177.507 176.870 -0.031 0.000 1.116 230 L CA 0.184 55.036 54.840 0.020 0.000 0.844 230 L CB 0.067 42.147 42.059 0.034 0.000 0.970 230 L HN 0.023 nan 8.230 nan 0.000 0.457 231 R N -0.211 120.197 120.500 -0.153 0.000 2.457 231 R HA 0.153 4.492 4.340 -0.000 0.000 0.284 231 R C 0.695 176.827 176.300 -0.280 0.000 1.024 231 R CA -0.498 55.375 56.100 -0.378 0.000 1.025 231 R CB 1.543 31.243 30.300 -0.999 0.000 1.063 231 R HN -0.095 nan 8.270 nan 0.000 0.493 232 L N 2.395 123.515 121.223 -0.171 0.000 2.209 232 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 232 L C 0.210 177.146 176.870 0.110 0.000 1.094 232 L CA 1.275 56.120 54.840 0.008 0.000 0.790 232 L CB -0.162 41.943 42.059 0.077 0.000 0.932 232 L HN 0.825 nan 8.230 nan 0.000 0.447 233 F N -0.742 119.202 119.950 -0.009 0.000 3.018 233 F HA -0.293 4.234 4.527 -0.000 0.000 0.287 233 F C 0.293 176.101 175.800 0.013 0.000 0.813 233 F CA 0.702 58.681 58.000 -0.036 0.000 1.209 233 F CB -1.679 37.269 39.000 -0.087 0.000 1.321 233 F HN 0.125 nan 8.300 nan 0.000 0.477 234 K N 0.254 120.749 120.400 0.160 0.000 2.443 234 K HA 0.347 4.667 4.320 -0.000 0.000 0.252 234 K C 0.145 176.834 176.600 0.148 0.000 0.933 234 K CA -0.791 55.582 56.287 0.144 0.000 0.792 234 K CB 1.838 34.413 32.500 0.125 0.000 1.185 234 K HN -0.019 nan 8.250 nan 0.000 0.425 235 D N 1.090 121.581 120.400 0.151 0.000 3.070 235 D HA -0.203 4.437 4.640 -0.000 0.000 0.220 235 D C 0.790 177.205 176.300 0.191 0.000 1.176 235 D CA 1.932 56.029 54.000 0.161 0.000 0.924 235 D CB -0.873 40.011 40.800 0.140 0.000 1.124 235 D HN 1.130 nan 8.370 nan 0.000 0.411 236 G N -0.343 108.584 108.800 0.211 0.000 2.157 236 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.248 236 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.248 236 G C 0.334 175.513 174.900 0.466 0.000 0.979 236 G CA 0.728 46.013 45.100 0.309 0.000 0.650 236 G HN 0.467 nan 8.290 nan 0.000 0.529 237 K N -0.572 120.024 120.400 0.327 0.000 2.107 237 K HA 0.636 4.956 4.320 -0.000 0.000 0.251 237 K C 0.057 176.831 176.600 0.289 0.000 1.012 237 K CA -0.848 55.671 56.287 0.387 0.000 0.920 237 K CB 0.724 33.396 32.500 0.287 0.000 1.033 237 K HN 0.010 nan 8.250 nan 0.000 0.478 238 L N 2.150 123.546 121.223 0.289 0.000 2.325 238 L HA 0.243 4.583 4.340 -0.000 0.000 0.279 238 L C 0.089 177.084 176.870 0.209 0.000 1.054 238 L CA -0.096 54.835 54.840 0.152 0.000 0.804 238 L CB 1.072 43.180 42.059 0.081 0.000 1.200 238 L HN 0.452 nan 8.230 nan 0.000 0.436 239 K N 2.951 123.421 120.400 0.117 0.000 2.469 239 K HA 0.245 4.565 4.320 -0.000 0.000 0.274 239 K C -1.097 175.613 176.600 0.183 0.000 0.983 239 K CA 0.584 56.926 56.287 0.090 0.000 0.974 239 K CB 0.351 32.864 32.500 0.022 0.000 0.913 239 K HN 0.576 nan 8.250 nan 0.000 0.493 240 Y N -2.156 118.152 120.300 0.014 0.000 2.689 240 Y HA 0.281 4.831 4.550 -0.000 0.000 0.333 240 Y C -1.410 174.492 175.900 0.004 0.000 1.208 240 Y CA -1.393 56.704 58.100 -0.006 0.000 1.055 240 Y CB 1.031 39.482 38.460 -0.015 0.000 1.304 240 Y HN 0.608 nan 8.280 nan 0.000 0.455 241 Q N 0.693 120.561 119.800 0.113 0.000 2.458 241 Q HA 0.846 5.186 4.340 -0.000 0.000 0.282 241 Q C -2.017 174.107 176.000 0.206 0.000 1.106 241 Q CA -1.342 54.494 55.803 0.055 0.000 0.814 241 Q CB 3.071 31.837 28.738 0.047 0.000 1.425 241 Q HN 0.605 nan 8.270 nan 0.000 0.437 242 V N 2.388 122.395 119.914 0.154 0.000 2.409 242 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 242 V C -0.593 175.591 176.094 0.151 0.000 1.020 242 V CA -0.511 61.890 62.300 0.169 0.000 0.848 242 V CB 1.189 33.099 31.823 0.146 0.000 0.990 242 V HN 0.670 nan 8.190 nan 0.000 0.430 243 I N 3.627 124.327 120.570 0.217 0.000 2.418 243 I HA 0.557 4.727 4.170 -0.000 0.000 0.287 243 I C 1.064 177.284 176.117 0.171 0.000 1.008 243 I CA -0.499 60.907 61.300 0.178 0.000 1.104 243 I CB 1.787 39.882 38.000 0.159 0.000 1.264 243 I HN 0.822 nan 8.210 nan 0.000 0.438 244 G N 4.293 113.152 108.800 0.099 0.000 2.305 244 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.287 244 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.287 244 G C 1.002 175.945 174.900 0.072 0.000 1.036 244 G CA 0.694 45.840 45.100 0.077 0.000 0.887 244 G HN 1.538 nan 8.290 nan 0.000 0.505 245 G N -1.943 106.897 108.800 0.066 0.000 2.179 245 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 245 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 245 G C 0.061 174.972 174.900 0.019 0.000 0.977 245 G CA 0.882 46.006 45.100 0.041 0.000 0.641 245 G HN 0.937 nan 8.290 nan 0.000 0.533 246 E N -0.196 120.025 120.200 0.036 0.000 2.195 246 E HA 0.543 4.893 4.350 -0.000 0.000 0.271 246 E C -0.048 176.453 176.600 -0.166 0.000 0.923 246 E CA -0.770 55.572 56.400 -0.096 0.000 0.790 246 E CB 2.395 32.022 29.700 -0.122 0.000 1.155 246 E HN 0.093 nan 8.360 nan 0.000 0.402 247 V N 3.824 123.549 119.914 -0.316 0.000 2.455 247 V HA 0.183 4.303 4.120 -0.000 0.000 0.273 247 V C -0.676 175.104 176.094 -0.523 0.000 1.045 247 V CA 0.105 62.249 62.300 -0.260 0.000 0.976 247 V CB -0.390 31.262 31.823 -0.285 0.000 0.993 247 V HN 0.513 nan 8.190 nan 0.000 0.475 248 Y N 4.876 125.112 120.300 -0.106 0.000 2.602 248 Y HA 0.508 5.058 4.550 -0.000 0.000 0.342 248 Y C -2.229 173.499 175.900 -0.286 0.000 1.029 248 Y CA -2.735 55.185 58.100 -0.301 0.000 1.080 248 Y CB 2.029 40.188 38.460 -0.502 0.000 1.284 248 Y HN 0.426 nan 8.280 nan 0.000 0.485 249 P HA 0.032 nan 4.420 nan 0.000 0.270 249 P C -2.510 174.718 177.300 -0.120 0.000 1.223 249 P CA -0.770 62.240 63.100 -0.150 0.000 0.785 249 P CB -0.006 31.611 31.700 -0.138 0.000 0.923 250 P HA 0.081 nan 4.420 nan 0.000 0.277 250 P C -0.450 176.932 177.300 0.136 0.000 1.276 250 P CA -0.002 63.131 63.100 0.055 0.000 0.788 250 P CB 0.092 31.817 31.700 0.041 0.000 1.114 251 T N -3.646 110.985 114.554 0.127 0.000 2.934 251 T HA 0.241 4.591 4.350 -0.000 0.000 0.283 251 T C 1.404 176.159 174.700 0.093 0.000 1.005 251 T CA -0.718 61.465 62.100 0.138 0.000 1.041 251 T CB 0.273 69.187 68.868 0.077 0.000 1.042 251 T HN 0.058 nan 8.240 nan 0.000 0.505 252 V N 1.386 121.349 119.914 0.081 0.000 2.490 252 V HA -0.127 3.993 4.120 -0.000 0.000 0.250 252 V C 2.779 178.894 176.094 0.035 0.000 1.061 252 V CA 2.204 64.543 62.300 0.066 0.000 1.064 252 V CB -0.883 30.981 31.823 0.069 0.000 0.670 252 V HN 1.037 nan 8.190 nan 0.000 0.461 253 K N 0.273 120.682 120.400 0.015 0.000 2.097 253 K HA -0.244 4.076 4.320 -0.000 0.000 0.205 253 K C 1.882 178.489 176.600 0.012 0.000 1.050 253 K CA 2.035 58.325 56.287 0.005 0.000 0.938 253 K CB -0.234 32.260 32.500 -0.010 0.000 0.718 253 K HN 0.471 nan 8.250 nan 0.000 0.442 254 D N -0.556 119.855 120.400 0.020 0.000 2.194 254 D HA -0.098 4.542 4.640 -0.000 0.000 0.204 254 D C 1.694 178.009 176.300 0.025 0.000 0.964 254 D CA 1.744 55.755 54.000 0.017 0.000 0.846 254 D CB 0.171 40.980 40.800 0.016 0.000 0.962 254 D HN 0.436 nan 8.370 nan 0.000 0.490 255 T N -4.450 110.125 114.554 0.036 0.000 3.000 255 T HA 0.135 4.484 4.350 -0.000 0.000 0.248 255 T C 0.874 175.598 174.700 0.041 0.000 1.034 255 T CA 0.272 62.397 62.100 0.043 0.000 1.060 255 T CB 0.205 69.104 68.868 0.052 0.000 0.983 255 T HN -0.015 nan 8.240 nan 0.000 0.482 256 Q N 0.230 120.052 119.800 0.036 0.000 2.465 256 Q HA -0.126 4.214 4.340 -0.000 0.000 0.248 256 Q C 0.036 176.056 176.000 0.033 0.000 0.819 256 Q CA 0.812 56.633 55.803 0.031 0.000 1.219 256 Q CB -2.627 26.126 28.738 0.025 0.000 1.472 256 Q HN 0.889 nan 8.270 nan 0.000 0.630 257 V N -0.982 118.958 119.914 0.042 0.000 2.546 257 V HA 0.372 4.492 4.120 -0.000 0.000 0.284 257 V C 0.525 176.643 176.094 0.040 0.000 1.050 257 V CA -0.551 61.771 62.300 0.037 0.000 0.981 257 V CB 1.437 33.283 31.823 0.039 0.000 0.990 257 V HN 0.214 nan 8.190 nan 0.000 0.474 258 E N 6.393 126.605 120.200 0.020 0.000 2.344 258 E HA 0.323 4.673 4.350 -0.000 0.000 0.270 258 E C -0.529 176.078 176.600 0.012 0.000 1.021 258 E CA -0.116 56.294 56.400 0.017 0.000 0.887 258 E CB 0.910 30.608 29.700 -0.004 0.000 0.997 258 E HN 0.623 nan 8.360 nan 0.000 0.429 259 M N 2.303 121.923 119.600 0.035 0.000 2.572 259 M HA 0.426 4.906 4.480 -0.000 0.000 0.299 259 M C -0.467 175.790 176.300 -0.072 0.000 1.205 259 M CA -0.831 54.458 55.300 -0.018 0.000 0.876 259 M CB 1.783 34.446 32.600 0.105 0.000 1.728 259 M HN 0.404 nan 8.290 nan 0.000 0.458 260 I N 2.197 122.634 120.570 -0.221 0.000 2.297 260 I HA 0.308 4.477 4.170 -0.000 0.000 0.291 260 I C -1.327 174.560 176.117 -0.383 0.000 1.033 260 I CA -0.165 61.017 61.300 -0.196 0.000 1.253 260 I CB 0.270 38.190 38.000 -0.133 0.000 1.396 260 I HN 0.492 nan 8.210 nan 0.000 0.476 261 Y N 6.535 126.795 120.300 -0.067 0.000 2.504 261 Y HA 0.411 4.961 4.550 -0.000 0.000 0.344 261 Y C -2.057 173.718 175.900 -0.208 0.000 1.023 261 Y CA -2.132 55.890 58.100 -0.130 0.000 1.020 261 Y CB 1.982 40.361 38.460 -0.134 0.000 1.282 261 Y HN 0.426 nan 8.280 nan 0.000 0.454 262 P HA 0.078 nan 4.420 nan 0.000 0.269 262 P C -2.280 174.891 177.300 -0.215 0.000 1.215 262 P CA -1.256 61.689 63.100 -0.259 0.000 0.780 262 P CB 0.725 32.153 31.700 -0.454 0.000 0.898 263 P HA -0.151 nan 4.420 nan 0.000 0.228 263 P C 1.145 178.417 177.300 -0.046 0.000 1.151 263 P CA 1.444 64.513 63.100 -0.051 0.000 0.770 263 P CB -0.433 31.266 31.700 -0.002 0.000 0.786 264 H N -1.612 117.422 119.070 -0.061 0.000 2.539 264 H HA 0.120 4.676 4.556 -0.000 0.000 0.267 264 H C 0.497 175.781 175.328 -0.073 0.000 0.982 264 H CA -0.323 55.692 56.048 -0.056 0.000 1.146 264 H CB -0.200 29.536 29.762 -0.042 0.000 1.382 264 H HN 0.011 nan 8.280 nan 0.000 0.577 265 I N 5.242 125.555 120.570 -0.429 0.000 2.452 265 I HA 0.118 4.287 4.170 -0.000 0.000 0.287 265 I C -2.054 173.904 176.117 -0.264 0.000 1.079 265 I CA -2.427 58.652 61.300 -0.368 0.000 1.387 265 I CB 0.620 38.349 38.000 -0.451 0.000 1.404 265 I HN 0.051 nan 8.210 nan 0.000 0.522 266 P HA 0.107 nan 4.420 nan 0.000 0.268 266 P C 0.495 177.656 177.300 -0.233 0.000 1.204 266 P CA -0.128 62.866 63.100 -0.176 0.000 0.768 266 P CB 0.912 32.529 31.700 -0.139 0.000 0.842 267 E N 1.848 121.943 120.200 -0.175 0.000 2.273 267 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 267 E C 1.535 178.030 176.600 -0.176 0.000 1.002 267 E CA 1.068 57.365 56.400 -0.171 0.000 0.828 267 E CB -0.095 29.545 29.700 -0.100 0.000 0.747 267 E HN 0.567 nan 8.360 nan 0.000 0.491 268 N N 0.354 118.956 118.700 -0.163 0.000 2.398 268 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 268 N C 1.255 176.632 175.510 -0.221 0.000 1.122 268 N CA 0.435 53.410 53.050 -0.126 0.000 0.866 268 N CB 0.242 38.676 38.487 -0.087 0.000 0.970 268 N HN 0.232 nan 8.380 nan 0.000 0.462 269 L N -0.067 120.925 121.223 -0.385 0.000 2.858 269 L HA 0.223 4.563 4.340 -0.000 0.000 0.251 269 L C 0.172 176.500 176.870 -0.903 0.000 1.149 269 L CA -0.017 54.420 54.840 -0.671 0.000 0.955 269 L CB 0.344 42.093 42.059 -0.518 0.000 1.289 269 L HN 0.002 nan 8.230 nan 0.000 0.542 270 Q N 1.087 120.467 119.800 -0.701 0.000 2.664 270 Q HA 0.206 4.546 4.340 -0.000 0.000 0.223 270 Q C -0.692 175.191 176.000 -0.195 0.000 1.298 270 Q CA -0.105 55.187 55.803 -0.852 0.000 0.965 270 Q CB 0.019 28.377 28.738 -0.633 0.000 1.510 270 Q HN 0.226 nan 8.270 nan 0.000 0.567 271 F N 1.035 120.961 119.950 -0.040 0.000 2.529 271 F HA 0.229 4.756 4.527 -0.000 0.000 0.365 271 F C 0.828 176.748 175.800 0.200 0.000 1.102 271 F CA -0.946 57.111 58.000 0.096 0.000 1.271 271 F CB 0.687 39.749 39.000 0.105 0.000 1.120 271 F HN 0.380 nan 8.300 nan 0.000 0.579 272 A N 4.208 127.225 122.820 0.329 0.000 2.271 272 A HA 0.710 5.029 4.320 -0.000 0.000 0.317 272 A C -0.593 177.079 177.584 0.146 0.000 1.245 272 A CA -0.495 51.666 52.037 0.208 0.000 0.857 272 A CB 0.784 19.869 19.000 0.141 0.000 1.175 272 A HN 0.672 nan 8.150 nan 0.000 0.512 273 V N -0.068 119.914 119.914 0.114 0.000 3.167 273 V HA 0.869 4.989 4.120 -0.000 0.000 0.310 273 V C 1.116 177.195 176.094 -0.025 0.000 1.207 273 V CA -0.051 62.286 62.300 0.062 0.000 1.059 273 V CB 0.998 32.903 31.823 0.137 0.000 1.079 273 V HN 1.065 nan 8.190 nan 0.000 0.446 274 G N -0.663 108.089 108.800 -0.080 0.000 2.469 274 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 274 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 274 G C 0.726 175.491 174.900 -0.225 0.000 1.150 274 G CA 0.940 45.961 45.100 -0.133 0.000 0.763 274 G HN 0.705 nan 8.290 nan 0.000 0.561 275 Q N 0.487 120.030 119.800 -0.428 0.000 2.340 275 Q HA 0.175 4.515 4.340 -0.000 0.000 0.259 275 Q C 1.280 176.994 176.000 -0.477 0.000 0.964 275 Q CA -0.164 55.222 55.803 -0.695 0.000 0.900 275 Q CB 1.540 29.232 28.738 -1.744 0.000 1.228 275 Q HN 0.761 nan 8.270 nan 0.000 0.449 276 E N 1.883 121.910 120.200 -0.288 0.000 2.333 276 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 276 E C 1.009 177.511 176.600 -0.162 0.000 1.007 276 E CA 0.654 56.950 56.400 -0.173 0.000 0.845 276 E CB 0.167 29.792 29.700 -0.124 0.000 0.766 276 E HN 0.258 nan 8.360 nan 0.000 0.507 277 V N 0.162 119.988 119.914 -0.146 0.000 3.647 277 V HA 0.021 4.141 4.120 -0.000 0.000 0.279 277 V C 0.543 176.742 176.094 0.174 0.000 1.314 277 V CA 0.071 62.370 62.300 -0.001 0.000 1.125 277 V CB -0.440 31.434 31.823 0.086 0.000 0.907 277 V HN 0.233 nan 8.190 nan 0.000 0.434 278 F N 0.969 120.885 119.950 -0.057 0.000 2.699 278 F HA 0.222 4.748 4.527 -0.000 0.000 0.298 278 F C 2.200 177.982 175.800 -0.030 0.000 1.154 278 F CA 0.593 58.586 58.000 -0.012 0.000 1.457 278 F CB -1.061 37.964 39.000 0.042 0.000 1.106 278 F HN 0.308 nan 8.300 nan 0.000 0.585 279 G N -0.749 108.074 108.800 0.040 0.000 2.920 279 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.208 279 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.208 279 G C 1.546 176.455 174.900 0.014 0.000 1.159 279 G CA 0.059 45.158 45.100 -0.002 0.000 0.784 279 G HN 0.223 nan 8.290 nan 0.000 0.535 280 L N 0.681 121.905 121.223 0.002 0.000 2.446 280 L HA 0.320 4.660 4.340 -0.000 0.000 0.219 280 L C -0.025 176.764 176.870 -0.135 0.000 1.116 280 L CA 0.987 55.852 54.840 0.043 0.000 0.844 280 L CB 0.153 42.272 42.059 0.099 0.000 0.970 280 L HN -0.017 nan 8.230 nan 0.000 0.457 281 V N -0.223 119.596 119.914 -0.157 0.000 2.612 281 V HA 0.284 4.404 4.120 -0.000 0.000 0.301 281 V C -1.768 174.084 176.094 -0.403 0.000 1.059 281 V CA -0.956 61.153 62.300 -0.319 0.000 0.886 281 V CB 1.608 33.343 31.823 -0.147 0.000 1.007 281 V HN -0.144 nan 8.190 nan 0.000 0.426 282 P HA -0.104 nan 4.420 nan 0.000 0.219 282 P C 1.616 178.743 177.300 -0.288 0.000 1.146 282 P CA 1.662 64.489 63.100 -0.456 0.000 0.808 282 P CB 0.301 31.646 31.700 -0.591 0.000 0.779 283 G N -0.625 107.863 108.800 -0.521 0.000 2.422 283 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 283 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 283 G C 1.335 175.946 174.900 -0.482 0.000 1.140 283 G CA 0.398 44.955 45.100 -0.904 0.000 0.775 283 G HN 0.144 nan 8.290 nan 0.000 0.545 284 L N -0.160 120.837 121.223 -0.377 0.000 2.027 284 L HA 0.140 4.480 4.340 -0.000 0.000 0.206 284 L C 2.710 179.469 176.870 -0.184 0.000 1.074 284 L CA 1.403 56.079 54.840 -0.274 0.000 0.745 284 L CB -0.789 41.045 42.059 -0.374 0.000 0.898 284 L HN 0.203 nan 8.230 nan 0.000 0.433 285 M N -1.445 118.080 119.600 -0.124 0.000 2.296 285 M HA -0.193 4.286 4.480 -0.000 0.000 0.265 285 M C 2.152 178.405 176.300 -0.078 0.000 1.064 285 M CA 1.428 56.721 55.300 -0.012 0.000 1.109 285 M CB -0.479 32.155 32.600 0.057 0.000 1.396 285 M HN 0.276 nan 8.290 nan 0.000 0.430 286 M N -1.534 117.958 119.600 -0.179 0.000 2.086 286 M HA -0.262 4.217 4.480 -0.000 0.000 0.261 286 M C 1.584 177.737 176.300 -0.246 0.000 1.067 286 M CA 1.914 57.069 55.300 -0.242 0.000 1.116 286 M CB -0.327 32.144 32.600 -0.215 0.000 1.348 286 M HN 0.251 nan 8.290 nan 0.000 0.407 287 Y N 0.199 120.365 120.300 -0.223 0.000 2.314 287 Y HA -0.004 4.545 4.550 -0.000 0.000 0.293 287 Y C 2.606 178.335 175.900 -0.284 0.000 1.129 287 Y CA 1.282 59.169 58.100 -0.355 0.000 1.201 287 Y CB -0.904 37.127 38.460 -0.715 0.000 0.999 287 Y HN 0.382 nan 8.280 nan 0.000 0.541 288 A N -0.751 122.045 122.820 -0.039 0.000 1.940 288 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 288 A C 2.292 179.931 177.584 0.091 0.000 1.176 288 A CA 2.357 54.496 52.037 0.171 0.000 0.631 288 A CB -1.103 18.042 19.000 0.241 0.000 0.814 288 A HN 0.395 nan 8.150 nan 0.000 0.446 289 T N 0.046 114.595 114.554 -0.008 0.000 2.812 289 T HA -0.009 4.341 4.350 -0.000 0.000 0.264 289 T C 1.811 176.448 174.700 -0.105 0.000 1.042 289 T CA 1.300 63.352 62.100 -0.080 0.000 1.140 289 T CB -0.356 68.430 68.868 -0.138 0.000 0.870 289 T HN 0.406 nan 8.240 nan 0.000 0.445 290 I N -0.544 119.947 120.570 -0.132 0.000 2.163 290 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 290 I C 2.181 178.204 176.117 -0.157 0.000 1.085 290 I CA 1.561 62.741 61.300 -0.200 0.000 1.347 290 I CB -0.266 37.565 38.000 -0.282 0.000 1.044 290 I HN 0.345 nan 8.210 nan 0.000 0.408 291 W N 0.316 121.606 121.300 -0.016 0.000 2.418 291 W HA -0.082 4.577 4.660 -0.000 0.000 0.292 291 W C 2.449 178.959 176.519 -0.015 0.000 1.213 291 W CA 0.433 57.781 57.345 0.005 0.000 1.283 291 W CB -0.218 29.243 29.460 0.001 0.000 1.119 291 W HN 0.082 nan 8.180 nan 0.000 0.542 292 L N 0.651 121.969 121.223 0.159 0.000 2.012 292 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 292 L C 2.521 179.434 176.870 0.072 0.000 1.073 292 L CA 1.731 56.619 54.840 0.080 0.000 0.748 292 L CB -0.336 41.734 42.059 0.019 0.000 0.891 292 L HN -0.055 nan 8.230 nan 0.000 0.431 293 R N -0.284 120.206 120.500 -0.016 0.000 2.091 293 R HA -0.249 4.091 4.340 -0.000 0.000 0.238 293 R C 2.185 178.477 176.300 -0.013 0.000 1.136 293 R CA 1.755 57.810 56.100 -0.075 0.000 0.959 293 R CB -0.285 29.927 30.300 -0.147 0.000 0.856 293 R HN 0.348 nan 8.270 nan 0.000 0.437 294 E N -0.385 119.830 120.200 0.025 0.000 2.077 294 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 294 E C 1.696 178.386 176.600 0.151 0.000 0.989 294 E CA 1.838 58.274 56.400 0.060 0.000 0.800 294 E CB -0.190 29.546 29.700 0.060 0.000 0.746 294 E HN 0.504 nan 8.360 nan 0.000 0.452 295 H N -0.227 118.930 119.070 0.146 0.000 2.293 295 H HA -0.034 4.522 4.556 -0.000 0.000 0.300 295 H C 1.630 177.032 175.328 0.123 0.000 1.082 295 H CA 2.211 58.362 56.048 0.173 0.000 1.308 295 H CB -0.124 29.764 29.762 0.209 0.000 1.375 295 H HN 0.132 nan 8.280 nan 0.000 0.495 296 N N 0.298 119.109 118.700 0.185 0.000 2.244 296 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 296 N C 1.980 177.487 175.510 -0.005 0.000 1.016 296 N CA 0.885 53.989 53.050 0.090 0.000 0.866 296 N CB -0.351 38.159 38.487 0.038 0.000 0.980 296 N HN 0.415 nan 8.380 nan 0.000 0.430 297 R N 0.788 121.279 120.500 -0.015 0.000 2.073 297 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 297 R C 1.634 177.925 176.300 -0.015 0.000 1.134 297 R CA 1.116 57.202 56.100 -0.024 0.000 0.952 297 R CB -0.236 30.047 30.300 -0.028 0.000 0.850 297 R HN -0.004 nan 8.270 nan 0.000 0.433 298 V N 0.315 120.218 119.914 -0.018 0.000 2.515 298 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 298 V C 2.539 178.622 176.094 -0.018 0.000 1.058 298 V CA 1.484 63.779 62.300 -0.008 0.000 1.064 298 V CB -0.429 31.400 31.823 0.011 0.000 0.675 298 V HN 0.520 nan 8.190 nan 0.000 0.461 299 C N 0.144 119.400 119.300 -0.074 0.000 2.413 299 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 299 C C 2.534 177.549 174.990 0.041 0.000 1.236 299 C CA 1.090 60.102 59.018 -0.011 0.000 1.735 299 C CB -1.008 26.732 27.740 -0.002 0.000 2.031 299 C HN 0.602 nan 8.230 nan 0.000 0.474 300 D N 0.601 121.014 120.400 0.023 0.000 2.144 300 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 300 D C 1.918 178.227 176.300 0.016 0.000 0.984 300 D CA 1.139 55.153 54.000 0.023 0.000 0.834 300 D CB -0.368 40.436 40.800 0.007 0.000 0.955 300 D HN 0.480 nan 8.370 nan 0.000 0.465 301 I N 0.533 121.110 120.570 0.012 0.000 2.202 301 I HA -0.225 3.944 4.170 -0.000 0.000 0.242 301 I C 2.455 178.574 176.117 0.004 0.000 1.091 301 I CA 0.675 61.977 61.300 0.004 0.000 1.368 301 I CB -0.096 37.911 38.000 0.011 0.000 1.058 301 I HN -0.037 nan 8.210 nan 0.000 0.410 302 L N 0.517 121.768 121.223 0.046 0.000 2.093 302 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 302 L C 2.602 179.494 176.870 0.036 0.000 1.085 302 L CA 1.356 56.242 54.840 0.077 0.000 0.755 302 L CB -0.503 41.676 42.059 0.200 0.000 0.904 302 L HN 0.229 nan 8.230 nan 0.000 0.435 303 K N 0.209 120.648 120.400 0.065 0.000 2.097 303 K HA -0.275 4.044 4.320 -0.000 0.000 0.206 303 K C 2.167 178.759 176.600 -0.013 0.000 1.049 303 K CA 1.582 57.908 56.287 0.064 0.000 0.933 303 K CB 0.034 32.583 32.500 0.082 0.000 0.717 303 K HN 0.148 nan 8.250 nan 0.000 0.442 304 Q N 0.520 120.298 119.800 -0.037 0.000 2.124 304 Q HA -0.150 4.189 4.340 -0.000 0.000 0.202 304 Q C 1.448 177.357 176.000 -0.152 0.000 0.977 304 Q CA 1.607 57.367 55.803 -0.070 0.000 0.850 304 Q CB 0.181 28.887 28.738 -0.054 0.000 0.901 304 Q HN 0.274 nan 8.270 nan 0.000 0.429 305 E N -0.478 119.581 120.200 -0.235 0.000 2.230 305 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 305 E C 0.071 176.195 176.600 -0.794 0.000 0.987 305 E CA 0.694 56.804 56.400 -0.483 0.000 0.841 305 E CB 0.339 29.711 29.700 -0.547 0.000 0.783 305 E HN 0.457 nan 8.360 nan 0.000 0.481 306 H N 0.071 118.914 119.070 -0.378 0.000 2.429 306 H HA 0.164 4.720 4.556 -0.000 0.000 0.231 306 H C -1.851 173.341 175.328 -0.227 0.000 1.416 306 H CA -1.495 54.233 56.048 -0.535 0.000 1.443 306 H CB 1.258 30.177 29.762 -1.405 0.000 1.591 306 H HN -0.012 nan 8.280 nan 0.000 0.507 307 P HA -0.123 nan 4.420 nan 0.000 0.225 307 P C 0.675 178.030 177.300 0.092 0.000 1.148 307 P CA 0.932 64.050 63.100 0.029 0.000 0.779 307 P CB 0.458 32.159 31.700 0.002 0.000 0.780 308 E N -2.045 118.221 120.200 0.109 0.000 2.427 308 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 308 E C 0.440 177.240 176.600 0.333 0.000 1.028 308 E CA 0.285 56.796 56.400 0.186 0.000 0.864 308 E CB -0.662 29.155 29.700 0.195 0.000 0.813 308 E HN 0.256 nan 8.360 nan 0.000 0.514 309 W N 1.624 122.972 121.300 0.080 0.000 2.251 309 W HA 0.568 5.228 4.660 -0.000 0.000 0.329 309 W C 1.121 177.672 176.519 0.054 0.000 1.234 309 W CA -0.992 56.382 57.345 0.049 0.000 1.228 309 W CB 0.576 30.060 29.460 0.040 0.000 1.135 309 W HN -0.016 nan 8.180 nan 0.000 0.576 310 G N 0.849 109.764 108.800 0.192 0.000 2.535 310 G HA2 0.109 4.069 3.960 -0.000 0.000 0.303 310 G HA3 0.109 4.069 3.960 -0.000 0.000 0.303 310 G C 0.337 175.314 174.900 0.129 0.000 1.237 310 G CA -0.203 44.973 45.100 0.126 0.000 0.986 310 G HN 0.479 nan 8.290 nan 0.000 0.494 311 D N -0.938 119.538 120.400 0.127 0.000 2.116 311 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 311 D C 2.053 178.437 176.300 0.140 0.000 0.998 311 D CA 1.538 55.627 54.000 0.147 0.000 0.836 311 D CB 0.174 41.069 40.800 0.158 0.000 0.951 311 D HN 0.297 nan 8.370 nan 0.000 0.449 312 E N 0.101 120.357 120.200 0.093 0.000 2.058 312 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 312 E C 2.041 178.677 176.600 0.060 0.000 0.997 312 E CA 1.024 57.475 56.400 0.085 0.000 0.801 312 E CB -0.426 29.295 29.700 0.035 0.000 0.746 312 E HN 0.546 nan 8.360 nan 0.000 0.450 313 Q N -0.024 119.721 119.800 -0.093 0.000 2.167 313 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 313 Q C 2.401 178.278 176.000 -0.205 0.000 0.970 313 Q CA 0.714 56.315 55.803 -0.336 0.000 0.855 313 Q CB 0.010 28.263 28.738 -0.809 0.000 0.911 313 Q HN 0.220 nan 8.270 nan 0.000 0.438 314 L N -0.332 120.929 121.223 0.064 0.000 2.056 314 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 314 L C 2.244 179.223 176.870 0.182 0.000 1.078 314 L CA 1.101 56.083 54.840 0.237 0.000 0.749 314 L CB -0.449 41.776 42.059 0.277 0.000 0.901 314 L HN 0.318 nan 8.230 nan 0.000 0.433 315 F N 0.431 120.427 119.950 0.077 0.000 2.102 315 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 315 F C 2.706 178.550 175.800 0.074 0.000 1.105 315 F CA 1.509 59.584 58.000 0.126 0.000 1.239 315 F CB -0.156 38.882 39.000 0.063 0.000 0.991 315 F HN 0.022 nan 8.300 nan 0.000 0.474 316 Q N 0.002 119.823 119.800 0.034 0.000 2.079 316 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 316 Q C 2.223 178.148 176.000 -0.124 0.000 0.974 316 Q CA 2.161 57.903 55.803 -0.102 0.000 0.840 316 Q CB -1.071 27.675 28.738 0.013 0.000 0.898 316 Q HN 0.431 nan 8.270 nan 0.000 0.430 317 T N 0.829 115.351 114.554 -0.052 0.000 2.777 317 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 317 T C 2.184 176.945 174.700 0.102 0.000 1.040 317 T CA 1.306 63.439 62.100 0.056 0.000 1.141 317 T CB -0.129 68.836 68.868 0.161 0.000 0.868 317 T HN 0.174 nan 8.240 nan 0.000 0.444 318 S N 1.037 116.748 115.700 0.019 0.000 2.368 318 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 318 S C 2.098 176.724 174.600 0.043 0.000 1.030 318 S CA 1.137 59.326 58.200 -0.018 0.000 0.999 318 S CB -0.273 62.748 63.200 -0.297 0.000 0.844 318 S HN 0.462 nan 8.310 nan 0.000 0.459 319 R N 1.015 121.435 120.500 -0.134 0.000 2.091 319 R HA -0.050 4.290 4.340 -0.000 0.000 0.238 319 R C 2.128 178.465 176.300 0.061 0.000 1.136 319 R CA 1.228 57.221 56.100 -0.179 0.000 0.959 319 R CB -0.395 29.420 30.300 -0.808 0.000 0.856 319 R HN 0.359 nan 8.270 nan 0.000 0.437 320 L N 0.332 121.618 121.223 0.105 0.000 2.083 320 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 320 L C 2.469 179.584 176.870 0.408 0.000 1.083 320 L CA 1.202 56.218 54.840 0.293 0.000 0.752 320 L CB -0.344 41.918 42.059 0.339 0.000 0.899 320 L HN 0.295 nan 8.230 nan 0.000 0.433 321 I N -0.581 120.200 120.570 0.351 0.000 2.179 321 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 321 I C 2.352 178.616 176.117 0.246 0.000 1.088 321 I CA 1.114 62.575 61.300 0.267 0.000 1.357 321 I CB -0.127 38.010 38.000 0.228 0.000 1.051 321 I HN 0.182 nan 8.210 nan 0.000 0.409 322 L N 0.310 121.698 121.223 0.275 0.000 2.131 322 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 322 L C 2.297 179.300 176.870 0.221 0.000 1.092 322 L CA 1.719 56.749 54.840 0.317 0.000 0.759 322 L CB -0.534 41.751 42.059 0.376 0.000 0.903 322 L HN 0.166 nan 8.230 nan 0.000 0.435 323 I N -0.965 119.735 120.570 0.216 0.000 2.163 323 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 323 I C 2.494 178.723 176.117 0.188 0.000 1.085 323 I CA 1.508 62.917 61.300 0.183 0.000 1.347 323 I CB -0.925 37.200 38.000 0.209 0.000 1.044 323 I HN 0.356 nan 8.210 nan 0.000 0.408 324 G N 0.273 109.225 108.800 0.252 0.000 2.421 324 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 324 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 324 G C 1.498 176.520 174.900 0.204 0.000 1.171 324 G CA 0.553 45.823 45.100 0.282 0.000 0.775 324 G HN 0.418 nan 8.290 nan 0.000 0.543 325 E N -0.049 120.288 120.200 0.228 0.000 2.118 325 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 325 E C 2.735 179.495 176.600 0.267 0.000 0.992 325 E CA 1.441 58.000 56.400 0.264 0.000 0.804 325 E CB -0.277 29.650 29.700 0.379 0.000 0.741 325 E HN 0.348 nan 8.360 nan 0.000 0.458 326 T N 1.529 116.221 114.554 0.229 0.000 2.708 326 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 326 T C 2.032 176.733 174.700 0.002 0.000 1.037 326 T CA 0.914 63.112 62.100 0.162 0.000 1.146 326 T CB -0.168 68.705 68.868 0.007 0.000 0.865 326 T HN 0.112 nan 8.240 nan 0.000 0.435 327 I N 0.840 121.335 120.570 -0.125 0.000 2.315 327 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 327 I C 2.549 178.334 176.117 -0.554 0.000 1.117 327 I CA 1.073 62.144 61.300 -0.382 0.000 1.404 327 I CB -0.298 37.342 38.000 -0.601 0.000 1.071 327 I HN 0.139 nan 8.210 nan 0.000 0.419 328 K N 1.936 122.049 120.400 -0.479 0.000 2.032 328 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 328 K C 1.851 178.450 176.600 -0.001 0.000 1.048 328 K CA 1.847 58.047 56.287 -0.145 0.000 0.927 328 K CB -0.406 32.189 32.500 0.159 0.000 0.712 328 K HN 0.258 nan 8.250 nan 0.000 0.441 329 I N -0.072 120.526 120.570 0.045 0.000 2.315 329 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 329 I C 2.037 178.192 176.117 0.064 0.000 1.117 329 I CA 0.713 62.065 61.300 0.086 0.000 1.404 329 I CB -0.127 37.978 38.000 0.174 0.000 1.071 329 I HN -0.035 nan 8.210 nan 0.000 0.419 330 V N 1.140 121.035 119.914 -0.032 0.000 2.343 330 V HA -0.277 3.842 4.120 -0.000 0.000 0.247 330 V C 2.258 178.413 176.094 0.102 0.000 1.051 330 V CA 1.895 64.141 62.300 -0.091 0.000 1.036 330 V CB -0.339 31.253 31.823 -0.385 0.000 0.654 330 V HN 0.324 nan 8.190 nan 0.000 0.451 331 I N -0.463 120.136 120.570 0.048 0.000 2.193 331 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 331 I C 2.436 178.629 176.117 0.126 0.000 1.084 331 I CA 1.534 62.898 61.300 0.106 0.000 1.365 331 I CB -0.283 37.771 38.000 0.090 0.000 1.064 331 I HN 0.320 nan 8.210 nan 0.000 0.410 332 E N 0.109 120.375 120.200 0.109 0.000 2.385 332 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 332 E C 0.947 177.608 176.600 0.102 0.000 1.013 332 E CA 0.576 57.031 56.400 0.091 0.000 0.866 332 E CB 0.285 30.034 29.700 0.082 0.000 0.832 332 E HN 0.485 nan 8.360 nan 0.000 0.500 333 D N -0.611 119.885 120.400 0.160 0.000 2.995 333 D HA -0.045 4.595 4.640 -0.000 0.000 0.289 333 D C 1.551 178.116 176.300 0.441 0.000 1.116 333 D CA 0.280 54.423 54.000 0.238 0.000 0.994 333 D CB -0.360 40.540 40.800 0.166 0.000 1.209 333 D HN 0.048 nan 8.370 nan 0.000 0.458 334 Y N 2.262 122.720 120.300 0.263 0.000 2.109 334 Y HA -0.165 4.385 4.550 -0.000 0.000 0.285 334 Y C 2.179 178.188 175.900 0.183 0.000 1.131 334 Y CA 1.507 59.656 58.100 0.081 0.000 1.121 334 Y CB -0.330 38.041 38.460 -0.149 0.000 0.987 334 Y HN -0.261 nan 8.280 nan 0.000 0.495 335 V N 0.674 120.787 119.914 0.332 0.000 2.626 335 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 335 V C 2.236 178.345 176.094 0.025 0.000 1.067 335 V CA 1.904 64.316 62.300 0.187 0.000 1.081 335 V CB -0.727 31.244 31.823 0.247 0.000 0.686 335 V HN 0.416 nan 8.190 nan 0.000 0.468 336 Q N 0.618 120.459 119.800 0.070 0.000 2.061 336 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 336 Q C 2.146 178.114 176.000 -0.053 0.000 0.984 336 Q CA 2.566 58.372 55.803 0.005 0.000 0.846 336 Q CB -0.537 28.235 28.738 0.056 0.000 0.902 336 Q HN 0.839 nan 8.270 nan 0.000 0.421 337 H N -0.881 118.151 119.070 -0.063 0.000 2.321 337 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 337 H C 1.519 176.678 175.328 -0.282 0.000 1.087 337 H CA 1.771 57.736 56.048 -0.138 0.000 1.319 337 H CB -0.366 29.347 29.762 -0.082 0.000 1.379 337 H HN 0.317 nan 8.280 nan 0.000 0.501 338 L N 0.713 121.636 121.223 -0.500 0.000 2.083 338 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 338 L C 2.752 179.326 176.870 -0.492 0.000 1.083 338 L CA 1.982 56.471 54.840 -0.585 0.000 0.752 338 L CB -1.186 40.729 42.059 -0.239 0.000 0.899 338 L HN 0.612 nan 8.230 nan 0.000 0.433 339 S N -1.005 114.415 115.700 -0.467 0.000 2.402 339 S HA -0.012 4.458 4.470 -0.000 0.000 0.229 339 S C 1.788 176.067 174.600 -0.535 0.000 1.021 339 S CA 0.766 58.547 58.200 -0.700 0.000 0.974 339 S CB -0.763 61.619 63.200 -1.363 0.000 0.800 339 S HN 0.589 nan 8.310 nan 0.000 0.484 340 G N 0.068 108.609 108.800 -0.431 0.000 2.166 340 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 340 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 340 G C -0.127 174.627 174.900 -0.243 0.000 0.986 340 G CA 0.522 45.436 45.100 -0.310 0.000 0.683 340 G HN 0.545 nan 8.290 nan 0.000 0.527 341 Y N -0.184 119.973 120.300 -0.238 0.000 2.480 341 Y HA 0.384 4.934 4.550 -0.000 0.000 0.338 341 Y C 1.731 177.432 175.900 -0.332 0.000 1.220 341 Y CA -0.148 57.771 58.100 -0.302 0.000 1.430 341 Y CB 0.304 38.661 38.460 -0.172 0.000 1.311 341 Y HN 0.327 nan 8.280 nan 0.000 0.575 342 H N 0.939 119.932 119.070 -0.128 0.000 2.512 342 H HA -0.000 4.556 4.556 -0.000 0.000 0.279 342 H C 0.105 175.345 175.328 -0.147 0.000 0.999 342 H CA -0.150 55.831 56.048 -0.112 0.000 1.283 342 H CB 0.188 29.954 29.762 0.006 0.000 1.421 342 H HN 0.425 nan 8.280 nan 0.000 0.554 343 F N 2.738 122.351 119.950 -0.561 0.000 2.529 343 F HA 0.087 4.614 4.527 -0.000 0.000 0.365 343 F C 0.406 176.157 175.800 -0.082 0.000 1.102 343 F CA -0.531 57.214 58.000 -0.424 0.000 1.271 343 F CB 0.465 38.947 39.000 -0.864 0.000 1.120 343 F HN -0.210 nan 8.300 nan 0.000 0.579 344 K N 8.023 127.965 120.400 -0.764 0.000 2.250 344 K HA 0.299 4.619 4.320 -0.000 0.000 0.280 344 K C -0.541 175.567 176.600 -0.820 0.000 1.098 344 K CA -0.454 55.500 56.287 -0.555 0.000 0.916 344 K CB 0.194 32.518 32.500 -0.292 0.000 1.209 344 K HN 0.712 nan 8.250 nan 0.000 0.461 345 L N 3.216 124.178 121.223 -0.436 0.000 2.483 345 L HA 0.102 4.442 4.340 -0.000 0.000 0.275 345 L C 0.374 177.179 176.870 -0.108 0.000 1.220 345 L CA 0.496 55.216 54.840 -0.201 0.000 0.833 345 L CB 0.276 42.357 42.059 0.036 0.000 1.102 345 L HN 0.522 nan 8.230 nan 0.000 0.490 346 K N 1.744 122.144 120.400 -0.001 0.000 2.427 346 K HA 0.328 4.648 4.320 -0.000 0.000 0.252 346 K C -1.342 175.339 176.600 0.135 0.000 0.931 346 K CA -0.732 55.583 56.287 0.046 0.000 0.793 346 K CB 1.588 34.097 32.500 0.016 0.000 1.211 346 K HN 0.283 nan 8.250 nan 0.000 0.426 347 F N 4.573 124.515 119.950 -0.014 0.000 2.368 347 F HA 0.316 4.842 4.527 -0.000 0.000 0.362 347 F C -0.881 174.873 175.800 -0.077 0.000 1.137 347 F CA -0.712 57.264 58.000 -0.040 0.000 1.161 347 F CB 0.443 39.438 39.000 -0.008 0.000 1.265 347 F HN 0.447 nan 8.300 nan 0.000 0.530 348 D N 8.434 128.579 120.400 -0.426 0.000 2.328 348 D HA 0.304 4.944 4.640 -0.000 0.000 0.243 348 D C -2.228 173.688 176.300 -0.639 0.000 1.324 348 D CA -1.898 51.780 54.000 -0.535 0.000 0.966 348 D CB 1.795 42.462 40.800 -0.223 0.000 1.324 348 D HN 0.162 nan 8.370 nan 0.000 0.549 349 P HA -0.159 nan 4.420 nan 0.000 0.217 349 P C 0.914 177.550 177.300 -1.105 0.000 1.151 349 P CA 1.154 63.678 63.100 -0.961 0.000 0.849 349 P CB 0.351 31.187 31.700 -1.440 0.000 0.787 350 E N -0.605 118.934 120.200 -1.102 0.000 2.209 350 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 350 E C 1.870 178.071 176.600 -0.666 0.000 0.993 350 E CA 0.717 56.367 56.400 -1.249 0.000 0.819 350 E CB -0.647 28.841 29.700 -0.353 0.000 0.745 350 E HN 0.338 nan 8.360 nan 0.000 0.477 351 L N 0.428 121.402 121.223 -0.415 0.000 2.265 351 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 351 L C 2.090 178.872 176.870 -0.147 0.000 1.117 351 L CA 0.761 55.486 54.840 -0.191 0.000 0.782 351 L CB -0.165 41.814 42.059 -0.133 0.000 0.914 351 L HN 0.181 nan 8.230 nan 0.000 0.441 352 L N -2.301 118.788 121.223 -0.223 0.000 2.616 352 L HA 0.061 4.400 4.340 -0.000 0.000 0.229 352 L C 1.998 179.000 176.870 0.221 0.000 1.110 352 L CA -0.000 54.801 54.840 -0.064 0.000 0.884 352 L CB -0.082 41.846 42.059 -0.220 0.000 1.115 352 L HN 0.172 nan 8.230 nan 0.000 0.481 353 F N 1.529 121.544 119.950 0.107 0.000 2.269 353 F HA -0.169 4.358 4.527 -0.000 0.000 0.301 353 F C 1.839 177.719 175.800 0.132 0.000 1.082 353 F CA 0.510 58.601 58.000 0.151 0.000 1.360 353 F CB -0.015 39.068 39.000 0.137 0.000 1.041 353 F HN 0.401 nan 8.300 nan 0.000 0.512 354 N N -0.138 118.733 118.700 0.286 0.000 2.279 354 N HA 0.050 4.790 4.740 -0.000 0.000 0.226 354 N C -0.349 175.253 175.510 0.155 0.000 1.126 354 N CA 0.032 53.197 53.050 0.192 0.000 0.846 354 N CB 0.093 38.672 38.487 0.153 0.000 1.050 354 N HN 0.212 nan 8.380 nan 0.000 0.502 355 Q N 0.282 120.186 119.800 0.173 0.000 2.399 355 Q HA 0.378 4.718 4.340 -0.000 0.000 0.276 355 Q C -1.099 174.999 176.000 0.164 0.000 1.098 355 Q CA -0.540 55.348 55.803 0.141 0.000 0.827 355 Q CB 1.875 30.678 28.738 0.108 0.000 1.386 355 Q HN 0.209 nan 8.270 nan 0.000 0.443 356 Q N 1.610 121.493 119.800 0.138 0.000 2.295 356 Q HA 0.490 4.830 4.340 -0.000 0.000 0.259 356 Q C -1.240 174.872 176.000 0.186 0.000 0.976 356 Q CA 0.111 55.992 55.803 0.130 0.000 0.923 356 Q CB 0.642 29.430 28.738 0.084 0.000 1.185 356 Q HN 0.494 nan 8.270 nan 0.000 0.410 357 F N 1.380 121.286 119.950 -0.074 0.000 2.654 357 F HA 0.142 4.668 4.527 -0.000 0.000 0.314 357 F C -1.570 174.047 175.800 -0.306 0.000 1.116 357 F CA -0.821 57.062 58.000 -0.196 0.000 1.017 357 F CB 1.617 40.454 39.000 -0.273 0.000 1.285 357 F HN 0.296 nan 8.300 nan 0.000 0.448 358 Q N 5.577 124.795 119.800 -0.969 0.000 2.331 358 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 358 Q C -1.166 174.367 176.000 -0.777 0.000 0.957 358 Q CA -0.273 55.142 55.803 -0.648 0.000 0.923 358 Q CB 1.004 29.496 28.738 -0.410 0.000 1.212 358 Q HN 0.697 nan 8.270 nan 0.000 0.443 359 Y N 3.071 123.306 120.300 -0.109 0.000 2.734 359 Y HA 0.023 4.573 4.550 -0.000 0.000 0.353 359 Y C 0.845 176.729 175.900 -0.025 0.000 1.244 359 Y CA -0.078 58.041 58.100 0.032 0.000 1.950 359 Y CB 0.065 38.610 38.460 0.142 0.000 2.028 359 Y HN 0.443 nan 8.280 nan 0.000 0.421 360 Q N 0.004 119.790 119.800 -0.023 0.000 2.687 360 Q HA 0.552 4.892 4.340 -0.000 0.000 0.295 360 Q C -2.009 173.946 176.000 -0.074 0.000 0.920 360 Q CA -1.307 54.482 55.803 -0.025 0.000 0.766 360 Q CB 2.139 30.856 28.738 -0.034 0.000 1.467 360 Q HN 0.287 nan 8.270 nan 0.000 0.415 361 N N -0.597 118.066 118.700 -0.061 0.000 2.745 361 N HA 0.547 5.286 4.740 -0.000 0.000 0.256 361 N C -2.279 173.178 175.510 -0.088 0.000 1.268 361 N CA -0.487 52.523 53.050 -0.066 0.000 0.887 361 N CB 2.350 40.814 38.487 -0.039 0.000 1.575 361 N HN 0.621 nan 8.380 nan 0.000 0.496 362 R N 2.556 123.002 120.500 -0.090 0.000 2.532 362 R HA 0.531 4.871 4.340 -0.000 0.000 0.297 362 R C -0.968 175.382 176.300 0.082 0.000 0.984 362 R CA -0.600 55.408 56.100 -0.153 0.000 0.884 362 R CB 0.634 30.773 30.300 -0.269 0.000 1.182 362 R HN 0.546 nan 8.270 nan 0.000 0.442 363 I N 3.681 124.479 120.570 0.381 0.000 2.587 363 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 363 I C 0.569 176.874 176.117 0.314 0.000 1.134 363 I CA 0.038 61.542 61.300 0.340 0.000 1.410 363 I CB 0.364 38.617 38.000 0.421 0.000 1.392 363 I HN 0.702 nan 8.210 nan 0.000 0.545 364 A N 4.937 127.814 122.820 0.094 0.000 2.363 364 A HA 0.242 4.562 4.320 -0.000 0.000 0.270 364 A C 1.350 178.838 177.584 -0.160 0.000 1.121 364 A CA -0.058 51.934 52.037 -0.075 0.000 0.800 364 A CB 0.663 19.395 19.000 -0.447 0.000 1.052 364 A HN 0.825 nan 8.150 nan 0.000 0.493 365 S N 1.381 116.998 115.700 -0.137 0.000 2.374 365 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 365 S C 1.598 176.049 174.600 -0.248 0.000 1.037 365 S CA 2.405 60.427 58.200 -0.297 0.000 1.024 365 S CB -0.359 62.822 63.200 -0.032 0.000 0.861 365 S HN 0.799 nan 8.310 nan 0.000 0.456 366 E N 0.047 120.130 120.200 -0.194 0.000 2.150 366 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 366 E C 1.596 178.091 176.600 -0.174 0.000 0.985 366 E CA 0.959 57.264 56.400 -0.160 0.000 0.814 366 E CB -0.325 29.277 29.700 -0.164 0.000 0.752 366 E HN 0.598 nan 8.360 nan 0.000 0.466 367 F N 2.020 121.578 119.950 -0.653 0.000 2.134 367 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 367 F C 1.953 177.538 175.800 -0.358 0.000 1.097 367 F CA 1.266 58.984 58.000 -0.471 0.000 1.264 367 F CB -0.479 38.156 39.000 -0.608 0.000 1.001 367 F HN 0.023 nan 8.300 nan 0.000 0.479 368 N N 0.017 118.249 118.700 -0.780 0.000 2.084 368 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 368 N C 1.708 176.843 175.510 -0.624 0.000 1.030 368 N CA 2.279 54.430 53.050 -1.498 0.000 0.849 368 N CB -0.593 37.119 38.487 -1.292 0.000 1.012 368 N HN 0.297 nan 8.380 nan 0.000 0.423 369 T N 1.901 116.240 114.554 -0.358 0.000 2.684 369 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 369 T C 1.912 176.601 174.700 -0.019 0.000 1.036 369 T CA 1.659 63.610 62.100 -0.249 0.000 1.148 369 T CB -0.339 68.446 68.868 -0.139 0.000 0.863 369 T HN 0.425 nan 8.240 nan 0.000 0.436 370 L N -1.305 119.929 121.223 0.018 0.000 2.275 370 L HA 0.178 4.518 4.340 -0.000 0.000 0.215 370 L C 1.844 178.776 176.870 0.103 0.000 1.119 370 L CA 1.393 56.306 54.840 0.123 0.000 0.790 370 L CB -1.099 41.038 42.059 0.131 0.000 0.919 370 L HN 0.134 nan 8.230 nan 0.000 0.443 371 Y N 0.136 120.289 120.300 -0.245 0.000 2.471 371 Y HA 0.161 4.711 4.550 -0.000 0.000 0.286 371 Y C 0.803 176.313 175.900 -0.651 0.000 1.188 371 Y CA -0.155 57.482 58.100 -0.772 0.000 1.286 371 Y CB -0.207 37.795 38.460 -0.764 0.000 1.072 371 Y HN 0.279 nan 8.280 nan 0.000 0.517 372 H N 0.060 119.051 119.070 -0.132 0.000 3.198 372 H HA -0.076 4.480 4.556 -0.000 0.000 0.255 372 H C -0.530 174.930 175.328 0.220 0.000 1.729 372 H CA -0.124 55.929 56.048 0.008 0.000 1.495 372 H CB -0.327 29.539 29.762 0.174 0.000 1.807 372 H HN 0.399 nan 8.280 nan 0.000 0.554 373 W N 1.718 122.994 121.300 -0.040 0.000 2.676 373 W HA 0.125 4.785 4.660 -0.000 0.000 0.430 373 W C 0.779 177.314 176.519 0.027 0.000 0.690 373 W CA -0.967 56.408 57.345 0.049 0.000 2.297 373 W CB -1.104 28.426 29.460 0.117 0.000 1.361 373 W HN 0.657 nan 8.180 nan 0.000 0.800 374 H N 0.406 119.718 119.070 0.403 0.000 2.456 374 H HA -0.092 4.464 4.556 -0.000 0.000 0.296 374 H C -0.539 174.946 175.328 0.263 0.000 1.079 374 H CA 1.374 57.608 56.048 0.310 0.000 1.322 374 H CB -1.101 28.829 29.762 0.281 0.000 1.388 374 H HN -0.004 nan 8.280 nan 0.000 0.538 375 P HA -0.141 nan 4.420 nan 0.000 0.226 375 P C 1.019 178.433 177.300 0.190 0.000 1.146 375 P CA 1.005 64.231 63.100 0.209 0.000 0.773 375 P CB -0.009 31.765 31.700 0.124 0.000 0.772 376 L N -1.778 119.575 121.223 0.216 0.000 2.191 376 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 376 L C 1.154 178.134 176.870 0.182 0.000 1.103 376 L CA 0.545 55.497 54.840 0.187 0.000 0.769 376 L CB -0.639 41.556 42.059 0.226 0.000 0.908 376 L HN 0.008 nan 8.230 nan 0.000 0.438 377 L N 1.401 122.755 121.223 0.217 0.000 2.416 377 L HA 0.135 4.475 4.340 -0.000 0.000 0.272 377 L C -1.853 175.084 176.870 0.112 0.000 1.161 377 L CA -1.615 53.325 54.840 0.167 0.000 0.845 377 L CB 0.026 42.327 42.059 0.402 0.000 1.119 377 L HN -0.112 nan 8.230 nan 0.000 0.464 378 P HA 0.117 nan 4.420 nan 0.000 0.277 378 P C -0.442 176.639 177.300 -0.365 0.000 1.271 378 P CA -0.449 62.374 63.100 -0.462 0.000 0.795 378 P CB 1.089 32.377 31.700 -0.686 0.000 1.101 379 D N -1.194 118.981 120.400 -0.375 0.000 2.183 379 D HA -0.014 4.626 4.640 -0.000 0.000 0.203 379 D C 0.833 177.038 176.300 -0.158 0.000 0.969 379 D CA 1.574 55.503 54.000 -0.119 0.000 0.842 379 D CB -0.041 40.689 40.800 -0.116 0.000 0.957 379 D HN 0.533 nan 8.370 nan 0.000 0.484 380 T N -2.361 111.953 114.554 -0.400 0.000 2.896 380 T HA 0.567 4.917 4.350 -0.000 0.000 0.297 380 T C -0.758 173.549 174.700 -0.654 0.000 1.108 380 T CA -0.923 60.945 62.100 -0.386 0.000 1.004 380 T CB 1.331 70.099 68.868 -0.167 0.000 1.159 380 T HN -0.221 nan 8.240 nan 0.000 0.499 381 F N 2.054 121.833 119.950 -0.285 0.000 2.385 381 F HA 0.460 4.987 4.527 -0.000 0.000 0.360 381 F C 0.423 176.155 175.800 -0.112 0.000 1.122 381 F CA -1.023 56.782 58.000 -0.324 0.000 1.090 381 F CB 0.919 39.337 39.000 -0.970 0.000 1.150 381 F HN 0.424 nan 8.300 nan 0.000 0.472 382 N N 5.381 124.106 118.700 0.041 0.000 2.527 382 N HA 0.418 5.158 4.740 -0.000 0.000 0.236 382 N C -0.828 174.615 175.510 -0.112 0.000 0.999 382 N CA -0.201 52.824 53.050 -0.040 0.000 0.935 382 N CB 1.315 39.757 38.487 -0.077 0.000 1.132 382 N HN 0.495 nan 8.380 nan 0.000 0.511 383 I N 1.262 121.722 120.570 -0.183 0.000 2.382 383 I HA 0.157 4.327 4.170 -0.000 0.000 0.286 383 I C 0.984 176.895 176.117 -0.345 0.000 1.002 383 I CA -0.321 60.717 61.300 -0.437 0.000 1.135 383 I CB 0.959 38.496 38.000 -0.771 0.000 1.288 383 I HN 0.476 nan 8.210 nan 0.000 0.448 384 E N 2.914 122.972 120.200 -0.235 0.000 3.213 384 E HA -0.299 4.051 4.350 -0.000 0.000 0.374 384 E C 0.051 176.615 176.600 -0.060 0.000 1.500 384 E CA 1.875 58.224 56.400 -0.085 0.000 1.497 384 E CB -0.455 29.267 29.700 0.036 0.000 1.692 384 E HN 0.733 nan 8.360 nan 0.000 0.494 385 D N 0.698 121.091 120.400 -0.012 0.000 2.350 385 D HA 0.026 4.666 4.640 -0.000 0.000 0.213 385 D C 0.100 176.354 176.300 -0.077 0.000 1.031 385 D CA 0.601 54.584 54.000 -0.029 0.000 0.861 385 D CB 0.151 40.952 40.800 0.002 0.000 0.926 385 D HN 0.084 nan 8.370 nan 0.000 0.520 386 Q N 0.568 120.299 119.800 -0.115 0.000 2.230 386 Q HA 0.346 4.686 4.340 -0.000 0.000 0.248 386 Q C -0.206 175.577 176.000 -0.362 0.000 0.915 386 Q CA 0.104 55.720 55.803 -0.311 0.000 0.900 386 Q CB 1.613 30.048 28.738 -0.504 0.000 1.229 386 Q HN 0.128 nan 8.270 nan 0.000 0.439 387 E N 2.024 121.971 120.200 -0.422 0.000 2.331 387 E HA 0.245 4.595 4.350 -0.000 0.000 0.243 387 E C -1.152 175.294 176.600 -0.257 0.000 0.925 387 E CA -0.259 55.984 56.400 -0.263 0.000 0.760 387 E CB 0.853 30.458 29.700 -0.158 0.000 1.254 387 E HN 0.391 nan 8.360 nan 0.000 0.419 388 Y N 1.014 121.347 120.300 0.056 0.000 2.304 388 Y HA 0.126 4.676 4.550 -0.000 0.000 0.328 388 Y C 1.250 177.245 175.900 0.160 0.000 1.123 388 Y CA -0.573 57.613 58.100 0.143 0.000 1.218 388 Y CB 1.048 39.662 38.460 0.256 0.000 1.207 388 Y HN 0.336 nan 8.280 nan 0.000 0.495 389 S N 1.494 117.395 115.700 0.335 0.000 2.614 389 S HA 0.172 4.642 4.470 -0.000 0.000 0.265 389 S C 0.803 175.671 174.600 0.446 0.000 1.303 389 S CA -0.562 57.836 58.200 0.329 0.000 1.000 389 S CB 0.381 63.741 63.200 0.267 0.000 0.935 389 S HN 0.572 nan 8.310 nan 0.000 0.551 390 F N 1.128 121.287 119.950 0.347 0.000 2.091 390 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 390 F C 2.712 178.665 175.800 0.255 0.000 1.103 390 F CA 1.882 60.107 58.000 0.376 0.000 1.228 390 F CB -0.374 38.795 39.000 0.282 0.000 0.984 390 F HN 0.571 nan 8.300 nan 0.000 0.477 391 K N 0.614 121.257 120.400 0.406 0.000 2.074 391 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 391 K C 1.882 178.633 176.600 0.252 0.000 1.048 391 K CA 1.915 58.371 56.287 0.282 0.000 0.926 391 K CB -0.403 32.234 32.500 0.229 0.000 0.713 391 K HN 0.466 nan 8.250 nan 0.000 0.444 392 Q N -1.617 118.356 119.800 0.287 0.000 2.269 392 Q HA -0.067 4.273 4.340 -0.000 0.000 0.201 392 Q C 1.931 178.065 176.000 0.224 0.000 0.946 392 Q CA 0.702 56.671 55.803 0.278 0.000 0.877 392 Q CB -0.080 28.888 28.738 0.384 0.000 0.963 392 Q HN 0.172 nan 8.270 nan 0.000 0.472 393 F N 1.434 121.401 119.950 0.028 0.000 2.187 393 F HA 0.079 4.606 4.527 -0.000 0.000 0.295 393 F C 0.823 176.480 175.800 -0.238 0.000 1.091 393 F CA 0.252 58.146 58.000 -0.176 0.000 1.308 393 F CB 0.191 38.972 39.000 -0.365 0.000 1.030 393 F HN -0.114 nan 8.300 nan 0.000 0.487 394 L N 1.275 122.381 121.223 -0.195 0.000 2.485 394 L HA -0.096 4.244 4.340 -0.000 0.000 0.275 394 L C 0.315 176.852 176.870 -0.555 0.000 1.207 394 L CA -0.096 54.391 54.840 -0.589 0.000 0.855 394 L CB -0.577 40.947 42.059 -0.893 0.000 1.114 394 L HN 0.468 nan 8.230 nan 0.000 0.485 395 Y N 0.626 120.889 120.300 -0.063 0.000 3.875 395 Y HA -0.286 4.264 4.550 -0.000 0.000 0.216 395 Y C 0.513 176.372 175.900 -0.068 0.000 1.148 395 Y CA 0.179 58.264 58.100 -0.026 0.000 1.629 395 Y CB -2.062 36.420 38.460 0.037 0.000 1.506 395 Y HN 0.647 nan 8.280 nan 0.000 0.629 396 N N 1.339 119.976 118.700 -0.104 0.000 2.898 396 N HA 0.205 4.945 4.740 -0.000 0.000 0.245 396 N C 0.298 175.678 175.510 -0.216 0.000 1.185 396 N CA -0.320 52.654 53.050 -0.126 0.000 0.879 396 N CB 0.192 38.606 38.487 -0.121 0.000 1.157 396 N HN 0.244 nan 8.380 nan 0.000 0.503 397 N N -0.026 118.551 118.700 -0.205 0.000 2.494 397 N HA -0.056 4.684 4.740 -0.000 0.000 0.182 397 N C 1.134 176.508 175.510 -0.227 0.000 1.076 397 N CA 0.396 53.299 53.050 -0.246 0.000 0.908 397 N CB 0.259 38.514 38.487 -0.387 0.000 0.967 397 N HN 0.409 nan 8.380 nan 0.000 0.449 398 S N 0.919 116.506 115.700 -0.187 0.000 2.399 398 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 398 S C 2.022 176.573 174.600 -0.081 0.000 1.022 398 S CA 0.602 58.721 58.200 -0.135 0.000 0.983 398 S CB -0.201 62.946 63.200 -0.089 0.000 0.803 398 S HN 0.312 nan 8.310 nan 0.000 0.480 399 I N 0.958 121.488 120.570 -0.068 0.000 2.226 399 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 399 I C 2.395 178.657 176.117 0.242 0.000 1.100 399 I CA 0.836 62.175 61.300 0.066 0.000 1.374 399 I CB -0.370 37.569 38.000 -0.102 0.000 1.057 399 I HN 0.237 nan 8.210 nan 0.000 0.413 400 L N 0.805 122.021 121.223 -0.012 0.000 2.017 400 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 400 L C 2.287 179.086 176.870 -0.118 0.000 1.073 400 L CA 1.839 56.493 54.840 -0.310 0.000 0.745 400 L CB -0.498 41.294 42.059 -0.445 0.000 0.894 400 L HN 0.129 nan 8.230 nan 0.000 0.432 401 L N -0.658 120.485 121.223 -0.134 0.000 2.131 401 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 401 L C 2.528 179.371 176.870 -0.045 0.000 1.092 401 L CA 1.396 56.151 54.840 -0.143 0.000 0.759 401 L CB -0.557 41.386 42.059 -0.194 0.000 0.903 401 L HN 0.400 nan 8.230 nan 0.000 0.435 402 E N -0.003 120.169 120.200 -0.047 0.000 2.023 402 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 402 E C 2.121 178.640 176.600 -0.134 0.000 1.003 402 E CA 1.709 58.032 56.400 -0.129 0.000 0.809 402 E CB -0.031 29.536 29.700 -0.221 0.000 0.755 402 E HN 0.470 nan 8.360 nan 0.000 0.449 403 H N -0.816 118.347 119.070 0.155 0.000 2.520 403 H HA 0.279 4.834 4.556 -0.000 0.000 0.279 403 H C 1.049 176.472 175.328 0.159 0.000 0.990 403 H CA 0.698 56.853 56.048 0.179 0.000 1.288 403 H CB 0.415 30.334 29.762 0.262 0.000 1.446 403 H HN 0.320 nan 8.280 nan 0.000 0.538 404 G N 1.147 110.091 108.800 0.241 0.000 2.758 404 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.686 404 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.686 404 G C 0.579 175.549 174.900 0.117 0.000 1.389 404 G CA -0.200 44.994 45.100 0.158 0.000 0.845 404 G HN 0.146 nan 8.290 nan 0.000 0.572 405 L N 0.811 122.041 121.223 0.012 0.000 2.046 405 L HA -0.095 4.244 4.340 -0.000 0.000 0.208 405 L C 3.236 180.126 176.870 0.033 0.000 1.077 405 L CA 3.047 57.861 54.840 -0.043 0.000 0.747 405 L CB -1.790 40.189 42.059 -0.134 0.000 0.896 405 L HN 0.870 nan 8.230 nan 0.000 0.432 406 T N -0.946 113.624 114.554 0.026 0.000 2.684 406 T HA -0.271 4.078 4.350 -0.000 0.000 0.267 406 T C 1.815 176.550 174.700 0.058 0.000 1.036 406 T CA 1.683 63.799 62.100 0.027 0.000 1.148 406 T CB -0.127 68.752 68.868 0.019 0.000 0.863 406 T HN 0.187 nan 8.240 nan 0.000 0.436 407 Q N 0.043 119.901 119.800 0.098 0.000 2.119 407 Q HA 0.006 4.345 4.340 -0.000 0.000 0.201 407 Q C 1.820 177.824 176.000 0.006 0.000 0.972 407 Q CA 1.361 57.210 55.803 0.077 0.000 0.847 407 Q CB -0.620 28.204 28.738 0.144 0.000 0.903 407 Q HN 0.483 nan 8.270 nan 0.000 0.433 408 F N -0.869 118.984 119.950 -0.162 0.000 2.095 408 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 408 F C 2.187 177.845 175.800 -0.237 0.000 1.104 408 F CA 1.228 59.024 58.000 -0.340 0.000 1.232 408 F CB -0.640 38.225 39.000 -0.226 0.000 0.987 408 F HN -0.053 nan 8.300 nan 0.000 0.475 409 V N -0.225 119.746 119.914 0.095 0.000 2.295 409 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 409 V C 2.179 178.319 176.094 0.077 0.000 1.049 409 V CA 2.107 64.459 62.300 0.087 0.000 1.024 409 V CB -0.623 31.215 31.823 0.026 0.000 0.648 409 V HN 0.313 nan 8.190 nan 0.000 0.447 410 E N 0.064 120.288 120.200 0.040 0.000 2.058 410 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 410 E C 2.415 179.035 176.600 0.033 0.000 0.997 410 E CA 1.744 58.174 56.400 0.050 0.000 0.801 410 E CB -0.223 29.497 29.700 0.032 0.000 0.746 410 E HN 0.531 nan 8.360 nan 0.000 0.450 411 S N 0.337 115.997 115.700 -0.066 0.000 2.355 411 S HA -0.086 4.383 4.470 -0.000 0.000 0.222 411 S C 1.628 176.267 174.600 0.064 0.000 1.031 411 S CA 0.777 58.914 58.200 -0.106 0.000 0.993 411 S CB -0.210 62.779 63.200 -0.352 0.000 0.859 411 S HN 0.167 nan 8.310 nan 0.000 0.453 412 F N 2.286 122.254 119.950 0.031 0.000 2.365 412 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 412 F C 2.600 178.478 175.800 0.129 0.000 1.090 412 F CA 0.472 58.536 58.000 0.107 0.000 1.408 412 F CB -1.586 37.532 39.000 0.197 0.000 1.060 412 F HN 0.153 nan 8.300 nan 0.000 0.534 413 T N -0.713 114.014 114.554 0.288 0.000 2.951 413 T HA -0.090 4.259 4.350 -0.000 0.000 0.268 413 T C 2.094 176.905 174.700 0.184 0.000 1.073 413 T CA 0.902 63.132 62.100 0.217 0.000 1.134 413 T CB -0.042 68.937 68.868 0.185 0.000 0.884 413 T HN 0.218 nan 8.240 nan 0.000 0.479 414 R N 0.549 121.142 120.500 0.156 0.000 2.223 414 R HA 0.176 4.515 4.340 -0.000 0.000 0.198 414 R C 1.247 177.604 176.300 0.095 0.000 0.984 414 R CA 0.112 56.276 56.100 0.106 0.000 1.018 414 R CB 0.199 30.538 30.300 0.065 0.000 0.945 414 R HN 0.377 nan 8.270 nan 0.000 0.479 415 Q N 1.752 121.629 119.800 0.128 0.000 2.294 415 Q HA 0.202 4.542 4.340 -0.000 0.000 0.257 415 Q C -0.696 175.356 176.000 0.086 0.000 0.955 415 Q CA -0.230 55.628 55.803 0.091 0.000 0.936 415 Q CB 0.964 29.770 28.738 0.114 0.000 1.188 415 Q HN 0.118 nan 8.270 nan 0.000 0.420 416 I N 3.180 123.793 120.570 0.072 0.000 2.638 416 I HA 0.350 4.520 4.170 -0.000 0.000 0.286 416 I C -0.401 175.811 176.117 0.158 0.000 1.088 416 I CA 0.073 61.438 61.300 0.108 0.000 1.397 416 I CB 0.913 38.990 38.000 0.128 0.000 1.414 416 I HN 0.822 nan 8.210 nan 0.000 0.566 417 A N 5.115 128.029 122.820 0.156 0.000 2.269 417 A HA 0.730 5.049 4.320 -0.000 0.000 0.319 417 A C 0.143 177.860 177.584 0.223 0.000 1.110 417 A CA -0.174 51.975 52.037 0.187 0.000 0.847 417 A CB 0.589 19.661 19.000 0.121 0.000 1.161 417 A HN 0.862 nan 8.150 nan 0.000 0.497 418 G N -0.262 108.675 108.800 0.228 0.000 2.503 418 G HA2 0.448 4.408 3.960 -0.000 0.000 0.257 418 G HA3 0.448 4.408 3.960 -0.000 0.000 0.257 418 G C 0.202 175.007 174.900 -0.158 0.000 1.214 418 G CA -0.540 44.505 45.100 -0.092 0.000 0.839 418 G HN 0.873 nan 8.290 nan 0.000 0.559 419 R N 0.768 121.106 120.500 -0.270 0.000 2.590 419 R HA 0.221 4.561 4.340 -0.000 0.000 0.274 419 R C 0.827 177.028 176.300 -0.166 0.000 1.061 419 R CA -0.456 55.500 56.100 -0.240 0.000 1.081 419 R CB 0.823 30.977 30.300 -0.243 0.000 0.984 419 R HN 0.263 nan 8.270 nan 0.000 0.448 420 V N 3.453 123.262 119.914 -0.175 0.000 2.403 420 V HA 0.094 4.214 4.120 -0.000 0.000 0.239 420 V C 1.025 177.097 176.094 -0.038 0.000 1.041 420 V CA 1.431 63.688 62.300 -0.072 0.000 1.051 420 V CB -0.415 31.366 31.823 -0.071 0.000 0.704 420 V HN 0.919 nan 8.190 nan 0.000 0.472 421 A N -0.504 122.301 122.820 -0.025 0.000 2.267 421 A HA 0.517 4.837 4.320 -0.000 0.000 0.271 421 A C 1.550 179.095 177.584 -0.065 0.000 1.131 421 A CA 0.608 52.627 52.037 -0.030 0.000 0.818 421 A CB -0.342 18.661 19.000 0.005 0.000 1.118 421 A HN 1.425 nan 8.150 nan 0.000 0.501 422 G N -2.168 106.595 108.800 -0.061 0.000 2.213 422 G HA2 0.355 4.315 3.960 -0.000 0.000 0.236 422 G HA3 0.355 4.315 3.960 -0.000 0.000 0.236 422 G C 1.611 176.473 174.900 -0.063 0.000 0.991 422 G CA 0.642 45.702 45.100 -0.067 0.000 0.629 422 G HN 3.078 nan 8.290 nan 0.000 0.517 423 G N -0.648 108.116 108.800 -0.060 0.000 2.690 423 G HA2 0.318 4.278 3.960 -0.000 0.000 0.686 423 G HA3 0.318 4.278 3.960 -0.000 0.000 0.686 423 G C 0.228 175.102 174.900 -0.043 0.000 1.277 423 G CA 0.287 45.357 45.100 -0.050 0.000 0.799 423 G HN 1.654 nan 8.290 nan 0.000 0.613 424 R N -0.769 119.715 120.500 -0.028 0.000 3.225 424 R HA -0.228 4.112 4.340 -0.000 0.000 0.245 424 R C 0.493 176.785 176.300 -0.014 0.000 0.928 424 R CA 1.080 57.171 56.100 -0.015 0.000 0.632 424 R CB -1.135 29.154 30.300 -0.018 0.000 1.038 424 R HN 0.656 nan 8.270 nan 0.000 0.461 425 N N -0.569 118.129 118.700 -0.003 0.000 2.232 425 N HA 0.096 4.836 4.740 -0.000 0.000 0.240 425 N C -0.893 174.658 175.510 0.068 0.000 1.307 425 N CA -0.045 53.009 53.050 0.007 0.000 0.859 425 N CB 1.145 39.600 38.487 -0.054 0.000 1.260 425 N HN 0.058 nan 8.380 nan 0.000 0.501 426 V N 2.745 122.706 119.914 0.079 0.000 2.455 426 V HA 0.343 4.463 4.120 -0.000 0.000 0.273 426 V C -2.001 174.148 176.094 0.092 0.000 1.045 426 V CA -1.356 61.016 62.300 0.119 0.000 0.976 426 V CB 0.991 32.887 31.823 0.122 0.000 0.993 426 V HN 0.113 nan 8.190 nan 0.000 0.475 427 P HA 0.202 nan 4.420 nan 0.000 0.268 427 P C 1.027 178.292 177.300 -0.058 0.000 1.204 427 P CA 0.058 63.180 63.100 0.036 0.000 0.768 427 P CB 0.686 32.418 31.700 0.053 0.000 0.842 428 I N 2.289 122.815 120.570 -0.073 0.000 2.361 428 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 428 I C 2.165 178.189 176.117 -0.156 0.000 1.133 428 I CA 1.581 62.833 61.300 -0.080 0.000 1.413 428 I CB -0.492 37.479 38.000 -0.049 0.000 1.073 428 I HN 0.385 nan 8.210 nan 0.000 0.424 429 A N -0.437 122.192 122.820 -0.318 0.000 2.076 429 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 429 A C 2.039 179.422 177.584 -0.335 0.000 1.160 429 A CA 1.581 53.339 52.037 -0.464 0.000 0.653 429 A CB -0.365 17.909 19.000 -1.210 0.000 0.801 429 A HN 0.313 nan 8.150 nan 0.000 0.455 430 V N 0.327 120.086 119.914 -0.259 0.000 3.078 430 V HA 0.025 4.145 4.120 -0.000 0.000 0.344 430 V C 1.737 177.773 176.094 -0.096 0.000 1.409 430 V CA 0.574 62.780 62.300 -0.157 0.000 1.146 430 V CB -0.037 31.707 31.823 -0.132 0.000 1.126 430 V HN 0.871 nan 8.190 nan 0.000 0.513 431 Q N 0.529 120.288 119.800 -0.069 0.000 2.170 431 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 431 Q C 1.935 177.925 176.000 -0.018 0.000 0.976 431 Q CA 1.998 57.787 55.803 -0.024 0.000 0.858 431 Q CB -0.356 28.371 28.738 -0.018 0.000 0.907 431 Q HN 0.549 nan 8.270 nan 0.000 0.433 432 A N 1.063 123.864 122.820 -0.032 0.000 1.972 432 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 432 A C 2.295 179.859 177.584 -0.033 0.000 1.169 432 A CA 1.385 53.407 52.037 -0.026 0.000 0.635 432 A CB -0.577 18.410 19.000 -0.022 0.000 0.810 432 A HN 0.264 nan 8.150 nan 0.000 0.446 433 V N -0.254 119.626 119.914 -0.056 0.000 2.358 433 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 433 V C 3.016 179.093 176.094 -0.028 0.000 1.047 433 V CA 1.774 64.034 62.300 -0.066 0.000 1.035 433 V CB -1.267 30.433 31.823 -0.205 0.000 0.658 433 V HN 0.583 nan 8.190 nan 0.000 0.452 434 A N -0.242 122.589 122.820 0.019 0.000 1.933 434 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 434 A C 2.362 179.985 177.584 0.065 0.000 1.175 434 A CA 2.119 54.234 52.037 0.129 0.000 0.628 434 A CB -0.460 18.660 19.000 0.201 0.000 0.814 434 A HN 0.499 nan 8.150 nan 0.000 0.444 435 K N -0.385 120.030 120.400 0.026 0.000 2.057 435 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 435 K C 2.150 178.722 176.600 -0.048 0.000 1.050 435 K CA 1.076 57.369 56.287 0.010 0.000 0.935 435 K CB -0.289 32.214 32.500 0.004 0.000 0.715 435 K HN 0.375 nan 8.250 nan 0.000 0.439 436 A N 0.558 123.335 122.820 -0.072 0.000 1.972 436 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 436 A C 2.101 179.558 177.584 -0.211 0.000 1.169 436 A CA 1.895 53.870 52.037 -0.103 0.000 0.635 436 A CB -0.464 18.494 19.000 -0.070 0.000 0.810 436 A HN 0.328 nan 8.150 nan 0.000 0.446 437 S N -0.086 115.408 115.700 -0.343 0.000 2.382 437 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 437 S C 1.786 176.025 174.600 -0.602 0.000 1.027 437 S CA 1.478 59.248 58.200 -0.716 0.000 0.991 437 S CB -0.456 61.916 63.200 -1.380 0.000 0.823 437 S HN 0.574 nan 8.310 nan 0.000 0.469 438 I N 1.687 122.067 120.570 -0.317 0.000 2.163 438 I HA -0.174 3.996 4.170 -0.000 0.000 0.240 438 I C 2.015 178.063 176.117 -0.114 0.000 1.081 438 I CA 1.194 62.441 61.300 -0.088 0.000 1.353 438 I CB -0.441 37.604 38.000 0.075 0.000 1.054 438 I HN 0.166 nan 8.210 nan 0.000 0.407 439 D N 0.487 120.826 120.400 -0.103 0.000 2.144 439 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 439 D C 2.229 178.465 176.300 -0.106 0.000 0.978 439 D CA 1.228 55.182 54.000 -0.076 0.000 0.833 439 D CB -0.197 40.572 40.800 -0.052 0.000 0.961 439 D HN 0.443 nan 8.370 nan 0.000 0.470 440 Q N 0.069 119.770 119.800 -0.165 0.000 2.187 440 Q HA 0.008 4.348 4.340 -0.000 0.000 0.199 440 Q C 2.250 178.086 176.000 -0.274 0.000 0.957 440 Q CA 0.561 56.261 55.803 -0.171 0.000 0.857 440 Q CB 0.179 28.818 28.738 -0.164 0.000 0.929 440 Q HN 0.057 nan 8.270 nan 0.000 0.453 441 S N 0.749 116.196 115.700 -0.422 0.000 2.370 441 S HA -0.166 4.304 4.470 -0.000 0.000 0.226 441 S C 1.776 176.164 174.600 -0.353 0.000 1.033 441 S CA 1.224 58.999 58.200 -0.707 0.000 1.011 441 S CB -0.109 62.700 63.200 -0.652 0.000 0.852 441 S HN 0.331 nan 8.310 nan 0.000 0.457 442 R N 0.893 121.301 120.500 -0.153 0.000 2.075 442 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 442 R C 2.429 178.729 176.300 0.000 0.000 1.126 442 R CA 1.082 57.168 56.100 -0.024 0.000 0.963 442 R CB -0.253 30.047 30.300 0.000 0.000 0.858 442 R HN 0.471 nan 8.270 nan 0.000 0.435 443 E N 0.761 120.944 120.200 -0.028 0.000 2.160 443 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 443 E C 1.475 178.101 176.600 0.044 0.000 0.991 443 E CA 1.105 57.511 56.400 0.011 0.000 0.810 443 E CB 0.113 29.813 29.700 -0.000 0.000 0.742 443 E HN 0.294 nan 8.360 nan 0.000 0.466 444 M N 0.258 119.875 119.600 0.028 0.000 2.563 444 M HA 0.032 4.512 4.480 -0.000 0.000 0.231 444 M C -0.359 176.069 176.300 0.213 0.000 1.136 444 M CA 0.175 55.545 55.300 0.116 0.000 1.026 444 M CB 0.592 33.273 32.600 0.136 0.000 1.597 444 M HN -0.182 nan 8.290 nan 0.000 0.495 445 K N -0.144 120.357 120.400 0.168 0.000 3.150 445 K HA -0.192 4.128 4.320 -0.000 0.000 0.267 445 K C -1.246 175.518 176.600 0.273 0.000 1.028 445 K CA 0.672 57.064 56.287 0.175 0.000 0.753 445 K CB -2.617 29.953 32.500 0.116 0.000 1.288 445 K HN 0.295 nan 8.250 nan 0.000 0.473 446 Y N 1.247 121.600 120.300 0.089 0.000 2.610 446 Y HA -0.014 4.536 4.550 -0.000 0.000 0.332 446 Y C 1.858 177.863 175.900 0.175 0.000 1.201 446 Y CA 0.004 58.206 58.100 0.169 0.000 1.465 446 Y CB 0.472 39.026 38.460 0.158 0.000 1.283 446 Y HN 0.181 nan 8.280 nan 0.000 0.563 447 Q N 1.052 121.012 119.800 0.267 0.000 2.584 447 Q HA 0.212 4.552 4.340 -0.000 0.000 0.218 447 Q C 0.359 176.527 176.000 0.279 0.000 1.079 447 Q CA -0.279 55.605 55.803 0.135 0.000 1.008 447 Q CB 0.425 29.082 28.738 -0.134 0.000 1.267 447 Q HN 0.797 nan 8.270 nan 0.000 0.586 448 S N -0.254 115.544 115.700 0.163 0.000 2.608 448 S HA 0.022 4.492 4.470 -0.000 0.000 0.261 448 S C 0.936 175.691 174.600 0.258 0.000 1.314 448 S CA -0.604 57.706 58.200 0.182 0.000 0.992 448 S CB 0.475 63.730 63.200 0.092 0.000 0.935 448 S HN 0.645 nan 8.310 nan 0.000 0.564 449 L N 1.172 122.508 121.223 0.189 0.000 2.013 449 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 449 L C 1.961 178.926 176.870 0.158 0.000 1.073 449 L CA 2.071 57.021 54.840 0.183 0.000 0.753 449 L CB -1.257 40.860 42.059 0.098 0.000 0.890 449 L HN 0.723 nan 8.230 nan 0.000 0.432 450 N N -0.385 118.362 118.700 0.079 0.000 2.244 450 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 450 N C 1.742 177.254 175.510 0.002 0.000 1.016 450 N CA 1.066 54.128 53.050 0.020 0.000 0.866 450 N CB -0.200 38.277 38.487 -0.016 0.000 0.980 450 N HN 0.450 nan 8.380 nan 0.000 0.430 451 E N 0.087 120.282 120.200 -0.008 0.000 2.077 451 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 451 E C 1.744 178.273 176.600 -0.118 0.000 0.989 451 E CA 0.884 57.222 56.400 -0.103 0.000 0.800 451 E CB -0.442 29.151 29.700 -0.179 0.000 0.746 451 E HN 0.486 nan 8.360 nan 0.000 0.452 452 Y N 0.970 121.296 120.300 0.044 0.000 2.242 452 Y HA -0.099 4.451 4.550 -0.000 0.000 0.291 452 Y C 2.574 178.561 175.900 0.145 0.000 1.137 452 Y CA 1.154 59.325 58.100 0.118 0.000 1.181 452 Y CB -0.118 38.405 38.460 0.105 0.000 0.989 452 Y HN -0.027 nan 8.280 nan 0.000 0.527 453 R N 0.140 120.749 120.500 0.181 0.000 2.073 453 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 453 R C 2.126 178.457 176.300 0.052 0.000 1.134 453 R CA 1.767 57.914 56.100 0.078 0.000 0.952 453 R CB -0.224 30.044 30.300 -0.054 0.000 0.850 453 R HN 0.258 nan 8.270 nan 0.000 0.433 454 K N -0.030 120.368 120.400 -0.003 0.000 2.057 454 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 454 K C 2.056 178.624 176.600 -0.053 0.000 1.049 454 K CA 1.390 57.648 56.287 -0.048 0.000 0.931 454 K CB -0.123 32.324 32.500 -0.088 0.000 0.714 454 K HN -0.081 nan 8.250 nan 0.000 0.440 455 R N 0.448 120.921 120.500 -0.044 0.000 2.159 455 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 455 R C 0.541 176.644 176.300 -0.329 0.000 1.131 455 R CA 1.488 57.490 56.100 -0.164 0.000 0.982 455 R CB -0.224 29.994 30.300 -0.136 0.000 0.868 455 R HN 0.131 nan 8.270 nan 0.000 0.453 456 F N 0.206 120.112 119.950 -0.072 0.000 2.772 456 F HA 0.321 4.847 4.527 -0.000 0.000 0.302 456 F C 0.312 176.065 175.800 -0.078 0.000 1.136 456 F CA -0.154 57.783 58.000 -0.104 0.000 1.322 456 F CB 0.466 39.401 39.000 -0.108 0.000 0.967 456 F HN -0.095 nan 8.300 nan 0.000 0.513 457 S N 0.811 116.525 115.700 0.023 0.000 3.635 457 S HA -0.188 4.282 4.470 -0.000 0.000 0.328 457 S C -0.121 174.495 174.600 0.027 0.000 1.135 457 S CA 0.315 58.532 58.200 0.028 0.000 0.942 457 S CB -2.005 61.236 63.200 0.069 0.000 0.930 457 S HN 0.312 nan 8.310 nan 0.000 0.512 458 L N 0.141 121.369 121.223 0.008 0.000 2.330 458 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 458 L C 0.497 177.313 176.870 -0.090 0.000 1.013 458 L CA -0.878 53.937 54.840 -0.041 0.000 0.816 458 L CB 1.062 43.084 42.059 -0.060 0.000 1.287 458 L HN -0.023 nan 8.230 nan 0.000 0.435 459 K N 2.007 122.330 120.400 -0.128 0.000 2.339 459 K HA 0.257 4.577 4.320 -0.000 0.000 0.286 459 K C -2.313 174.146 176.600 -0.235 0.000 1.050 459 K CA -1.547 54.655 56.287 -0.143 0.000 0.956 459 K CB 0.842 33.274 32.500 -0.114 0.000 0.990 459 K HN 0.201 nan 8.250 nan 0.000 0.475 460 P HA -0.097 nan 4.420 nan 0.000 0.266 460 P C -1.014 176.182 177.300 -0.173 0.000 1.195 460 P CA 0.382 63.381 63.100 -0.167 0.000 0.768 460 P CB 0.226 31.873 31.700 -0.089 0.000 0.838 461 Y N 0.576 120.832 120.300 -0.073 0.000 2.425 461 Y HA 0.074 4.624 4.550 -0.000 0.000 0.331 461 Y C 2.101 177.928 175.900 -0.122 0.000 1.157 461 Y CA 0.319 58.360 58.100 -0.097 0.000 1.372 461 Y CB 0.494 38.876 38.460 -0.131 0.000 1.253 461 Y HN 0.399 nan 8.280 nan 0.000 0.536 462 T N -2.585 112.019 114.554 0.084 0.000 3.040 462 T HA 0.201 4.550 4.350 -0.000 0.000 0.250 462 T C 0.153 174.832 174.700 -0.035 0.000 1.058 462 T CA 0.306 62.409 62.100 0.005 0.000 0.988 462 T CB -0.042 68.835 68.868 0.016 0.000 0.993 462 T HN 0.505 nan 8.240 nan 0.000 0.519 463 S N -0.932 114.730 115.700 -0.064 0.000 2.588 463 S HA 0.579 5.048 4.470 -0.000 0.000 0.269 463 S C -0.186 174.292 174.600 -0.204 0.000 1.157 463 S CA -0.932 57.205 58.200 -0.104 0.000 0.824 463 S CB 0.274 63.478 63.200 0.008 0.000 1.126 463 S HN -0.067 nan 8.310 nan 0.000 0.464 464 F N 1.057 120.977 119.950 -0.049 0.000 2.234 464 F HA 0.095 4.622 4.527 -0.000 0.000 0.299 464 F C 2.528 178.253 175.800 -0.125 0.000 1.087 464 F CA 1.364 59.305 58.000 -0.098 0.000 1.340 464 F CB -0.248 38.718 39.000 -0.056 0.000 1.031 464 F HN 0.691 nan 8.300 nan 0.000 0.500 465 E N -0.010 120.240 120.200 0.083 0.000 2.150 465 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 465 E C 2.078 178.647 176.600 -0.051 0.000 0.985 465 E CA 0.960 57.370 56.400 0.017 0.000 0.814 465 E CB -0.196 29.523 29.700 0.032 0.000 0.752 465 E HN 0.502 nan 8.360 nan 0.000 0.466 466 E N 0.748 120.903 120.200 -0.075 0.000 2.106 466 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 466 E C 2.160 178.555 176.600 -0.342 0.000 0.984 466 E CA 0.532 56.878 56.400 -0.091 0.000 0.806 466 E CB 0.076 29.796 29.700 0.034 0.000 0.750 466 E HN 0.102 nan 8.360 nan 0.000 0.458 467 L N 0.723 121.587 121.223 -0.597 0.000 2.027 467 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 467 L C 2.478 179.086 176.870 -0.436 0.000 1.074 467 L CA 2.676 56.941 54.840 -0.958 0.000 0.745 467 L CB -0.864 40.767 42.059 -0.712 0.000 0.898 467 L HN 0.258 nan 8.230 nan 0.000 0.433 468 T N -4.186 110.235 114.554 -0.221 0.000 3.044 468 T HA 0.265 4.615 4.350 -0.000 0.000 0.255 468 T C 1.572 176.221 174.700 -0.084 0.000 1.073 468 T CA 0.457 62.486 62.100 -0.119 0.000 1.125 468 T CB -0.334 68.498 68.868 -0.061 0.000 0.908 468 T HN 0.731 nan 8.240 nan 0.000 0.480 469 G N 1.829 110.583 108.800 -0.077 0.000 2.155 469 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.257 469 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.257 469 G C -0.144 174.741 174.900 -0.026 0.000 0.983 469 G CA 0.714 45.790 45.100 -0.040 0.000 0.676 469 G HN 1.011 nan 8.290 nan 0.000 0.528 470 E N -2.252 117.932 120.200 -0.027 0.000 2.433 470 E HA 0.811 5.161 4.350 -0.000 0.000 0.264 470 E C 0.787 177.381 176.600 -0.009 0.000 0.960 470 E CA -0.834 55.555 56.400 -0.018 0.000 0.866 470 E CB 0.257 29.943 29.700 -0.022 0.000 1.615 470 E HN -0.025 nan 8.360 nan 0.000 0.442 471 K N -0.472 119.923 120.400 -0.008 0.000 2.367 471 K HA 0.131 4.451 4.320 -0.000 0.000 0.198 471 K C 1.608 178.202 176.600 -0.009 0.000 1.132 471 K CA 0.478 56.763 56.287 -0.003 0.000 0.941 471 K CB 0.450 32.948 32.500 -0.003 0.000 1.052 471 K HN 0.615 nan 8.250 nan 0.000 0.507 472 E N 1.594 121.785 120.200 -0.015 0.000 2.028 472 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 472 E C 2.038 178.622 176.600 -0.026 0.000 0.984 472 E CA 0.868 57.256 56.400 -0.019 0.000 0.800 472 E CB 0.125 29.814 29.700 -0.019 0.000 0.758 472 E HN 0.103 nan 8.360 nan 0.000 0.448 473 M N 0.411 119.996 119.600 -0.024 0.000 2.175 473 M HA -0.106 4.373 4.480 -0.000 0.000 0.264 473 M C 2.454 178.734 176.300 -0.033 0.000 1.063 473 M CA 1.278 56.562 55.300 -0.027 0.000 1.119 473 M CB -0.175 32.411 32.600 -0.023 0.000 1.377 473 M HN 0.219 nan 8.290 nan 0.000 0.415 474 A N 0.653 123.464 122.820 -0.015 0.000 1.908 474 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 474 A C 2.369 179.910 177.584 -0.072 0.000 1.181 474 A CA 2.154 54.199 52.037 0.013 0.000 0.627 474 A CB -0.934 18.098 19.000 0.053 0.000 0.818 474 A HN 0.511 nan 8.150 nan 0.000 0.445 475 A N -0.756 122.029 122.820 -0.060 0.000 1.930 475 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 475 A C 1.955 179.464 177.584 -0.124 0.000 1.175 475 A CA 1.543 53.532 52.037 -0.080 0.000 0.627 475 A CB -0.381 18.593 19.000 -0.043 0.000 0.815 475 A HN 0.470 nan 8.150 nan 0.000 0.443 476 E N 0.191 120.330 120.200 -0.101 0.000 2.051 476 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 476 E C 2.055 178.568 176.600 -0.146 0.000 0.991 476 E CA 1.041 57.383 56.400 -0.097 0.000 0.799 476 E CB -0.457 29.209 29.700 -0.057 0.000 0.748 476 E HN 0.668 nan 8.360 nan 0.000 0.449 477 L N 0.753 121.856 121.223 -0.199 0.000 2.083 477 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 477 L C 2.655 179.098 176.870 -0.712 0.000 1.083 477 L CA 1.335 56.007 54.840 -0.280 0.000 0.752 477 L CB -0.351 41.558 42.059 -0.249 0.000 0.899 477 L HN 0.080 nan 8.230 nan 0.000 0.433 478 K N 0.611 120.450 120.400 -0.935 0.000 2.057 478 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 478 K C 2.069 178.473 176.600 -0.326 0.000 1.049 478 K CA 1.381 57.139 56.287 -0.882 0.000 0.931 478 K CB -0.142 32.123 32.500 -0.392 0.000 0.714 478 K HN 0.210 nan 8.250 nan 0.000 0.440 479 A N 0.833 123.522 122.820 -0.219 0.000 2.015 479 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 479 A C 2.055 179.569 177.584 -0.117 0.000 1.163 479 A CA 1.164 53.129 52.037 -0.121 0.000 0.646 479 A CB -0.446 18.498 19.000 -0.093 0.000 0.806 479 A HN 0.342 nan 8.150 nan 0.000 0.448 480 L N -2.918 118.215 121.223 -0.150 0.000 2.102 480 L HA -0.058 4.282 4.340 -0.000 0.000 0.202 480 L C 2.280 179.004 176.870 -0.244 0.000 1.076 480 L CA 1.161 55.880 54.840 -0.202 0.000 0.761 480 L CB -0.294 41.622 42.059 -0.238 0.000 0.921 480 L HN 0.473 nan 8.230 nan 0.000 0.444 481 Y N -1.575 118.670 120.300 -0.092 0.000 2.507 481 Y HA 0.032 4.581 4.550 -0.000 0.000 0.263 481 Y C 1.975 177.944 175.900 0.115 0.000 1.093 481 Y CA 0.487 58.621 58.100 0.057 0.000 1.285 481 Y CB 0.596 39.186 38.460 0.216 0.000 1.115 481 Y HN 0.086 nan 8.280 nan 0.000 0.533 482 S N -0.984 114.833 115.700 0.195 0.000 1.703 482 S HA -0.275 4.194 4.470 -0.000 0.000 0.232 482 S C -0.044 174.755 174.600 0.330 0.000 0.865 482 S CA 1.753 60.065 58.200 0.188 0.000 1.462 482 S CB -1.191 62.083 63.200 0.122 0.000 1.879 482 S HN 0.522 nan 8.310 nan 0.000 0.532 483 D N 0.199 120.826 120.400 0.378 0.000 2.391 483 D HA 0.593 5.233 4.640 -0.000 0.000 0.245 483 D C 0.586 177.000 176.300 0.191 0.000 1.069 483 D CA -0.573 53.583 54.000 0.260 0.000 0.831 483 D CB 1.330 42.222 40.800 0.154 0.000 1.204 483 D HN 0.078 nan 8.370 nan 0.000 0.503 484 I N 2.786 123.265 120.570 -0.153 0.000 2.361 484 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 484 I C 1.081 177.056 176.117 -0.236 0.000 1.133 484 I CA 1.415 62.352 61.300 -0.606 0.000 1.413 484 I CB -0.027 37.603 38.000 -0.618 0.000 1.073 484 I HN 0.367 nan 8.210 nan 0.000 0.424 485 D N -0.407 119.942 120.400 -0.085 0.000 2.378 485 D HA -0.003 4.636 4.640 -0.000 0.000 0.227 485 D C 1.922 178.234 176.300 0.020 0.000 1.012 485 D CA 0.604 54.587 54.000 -0.030 0.000 0.905 485 D CB 0.264 41.056 40.800 -0.012 0.000 0.895 485 D HN 0.281 nan 8.370 nan 0.000 0.532 486 V N 0.338 120.289 119.914 0.061 0.000 3.643 486 V HA 0.102 4.222 4.120 -0.000 0.000 0.280 486 V C 0.718 176.891 176.094 0.131 0.000 1.351 486 V CA -0.197 62.191 62.300 0.145 0.000 1.073 486 V CB 0.038 32.000 31.823 0.233 0.000 0.863 486 V HN 0.090 nan 8.190 nan 0.000 0.436 487 M N 1.459 121.026 119.600 -0.055 0.000 2.249 487 M HA 0.145 4.625 4.480 -0.000 0.000 0.340 487 M C 0.182 176.405 176.300 -0.128 0.000 1.166 487 M CA 0.539 55.636 55.300 -0.339 0.000 1.115 487 M CB -0.069 32.350 32.600 -0.302 0.000 1.606 487 M HN 0.271 nan 8.290 nan 0.000 0.448 488 E N 3.144 123.258 120.200 -0.143 0.000 2.277 488 E HA 0.157 4.507 4.350 -0.000 0.000 0.274 488 E C 0.482 177.121 176.600 0.065 0.000 1.022 488 E CA -0.628 55.814 56.400 0.069 0.000 0.853 488 E CB 1.217 31.018 29.700 0.168 0.000 1.086 488 E HN 0.768 nan 8.360 nan 0.000 0.397 489 L N 3.259 124.562 121.223 0.133 0.000 1.989 489 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 489 L C 2.065 178.979 176.870 0.073 0.000 1.071 489 L CA 1.949 56.846 54.840 0.095 0.000 0.749 489 L CB -0.674 41.419 42.059 0.057 0.000 0.890 489 L HN 0.727 nan 8.230 nan 0.000 0.431 490 Y N 1.050 121.347 120.300 -0.005 0.000 2.114 490 Y HA -0.101 4.449 4.550 -0.000 0.000 0.284 490 Y C -0.594 175.309 175.900 0.005 0.000 1.143 490 Y CA 1.811 59.896 58.100 -0.025 0.000 1.135 490 Y CB -1.938 36.470 38.460 -0.087 0.000 0.980 490 Y HN 0.251 nan 8.280 nan 0.000 0.499 491 P HA -0.165 nan 4.420 nan 0.000 0.216 491 P C 1.420 178.604 177.300 -0.193 0.000 1.150 491 P CA 2.440 65.387 63.100 -0.256 0.000 0.837 491 P CB -0.387 31.315 31.700 0.004 0.000 0.786 492 A N -0.508 122.241 122.820 -0.118 0.000 1.933 492 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 492 A C 2.230 179.760 177.584 -0.089 0.000 1.175 492 A CA 1.317 53.303 52.037 -0.084 0.000 0.628 492 A CB -1.637 17.342 19.000 -0.036 0.000 0.814 492 A HN 0.127 nan 8.150 nan 0.000 0.444 493 L N -0.684 120.472 121.223 -0.110 0.000 2.083 493 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 493 L C 2.154 178.958 176.870 -0.109 0.000 1.083 493 L CA 0.934 55.718 54.840 -0.093 0.000 0.752 493 L CB -0.357 41.657 42.059 -0.074 0.000 0.899 493 L HN 0.356 nan 8.230 nan 0.000 0.433 494 L N -1.527 119.589 121.223 -0.178 0.000 2.558 494 L HA -0.015 4.325 4.340 -0.000 0.000 0.225 494 L C 1.746 178.557 176.870 -0.098 0.000 1.128 494 L CA 0.087 54.845 54.840 -0.136 0.000 0.868 494 L CB 0.263 42.202 42.059 -0.201 0.000 1.006 494 L HN 0.074 nan 8.230 nan 0.000 0.454 495 V N -1.033 118.822 119.914 -0.098 0.000 3.604 495 V HA 0.057 4.177 4.120 -0.000 0.000 0.277 495 V C 1.039 177.086 176.094 -0.077 0.000 1.399 495 V CA -0.049 62.205 62.300 -0.077 0.000 1.034 495 V CB 0.691 32.474 31.823 -0.067 0.000 0.824 495 V HN 0.304 nan 8.190 nan 0.000 0.439 496 E N 1.863 122.017 120.200 -0.077 0.000 2.415 496 E HA -0.007 4.343 4.350 -0.000 0.000 0.262 496 E C 0.358 176.922 176.600 -0.060 0.000 1.038 496 E CA -0.247 56.106 56.400 -0.079 0.000 0.921 496 E CB 0.462 30.145 29.700 -0.029 0.000 0.950 496 E HN 0.275 nan 8.360 nan 0.000 0.438 497 K N 5.143 125.503 120.400 -0.068 0.000 2.453 497 K HA 0.076 4.396 4.320 -0.000 0.000 0.280 497 K C -2.281 174.314 176.600 -0.008 0.000 1.045 497 K CA -1.232 55.033 56.287 -0.037 0.000 1.059 497 K CB 0.333 32.815 32.500 -0.031 0.000 0.901 497 K HN 0.245 nan 8.250 nan 0.000 0.475 498 P HA 0.106 nan 4.420 nan 0.000 0.272 498 P C -0.700 176.609 177.300 0.016 0.000 1.223 498 P CA -0.384 62.707 63.100 -0.014 0.000 0.784 498 P CB 0.550 32.219 31.700 -0.052 0.000 0.923 499 R N 2.536 123.056 120.500 0.034 0.000 2.811 499 R HA 0.134 4.474 4.340 -0.000 0.000 0.265 499 R C -1.960 174.382 176.300 0.069 0.000 1.026 499 R CA -1.061 55.100 56.100 0.102 0.000 1.142 499 R CB -1.506 28.916 30.300 0.205 0.000 1.027 499 R HN 0.391 nan 8.270 nan 0.000 0.465 500 P HA -0.041 nan 4.420 nan 0.000 0.262 500 P C -0.888 176.411 177.300 -0.001 0.000 1.199 500 P CA 0.592 63.721 63.100 0.049 0.000 0.763 500 P CB 0.325 32.076 31.700 0.085 0.000 0.790 501 D N -0.048 120.330 120.400 -0.037 0.000 2.911 501 D HA -0.204 4.435 4.640 -0.000 0.000 0.227 501 D C 0.194 176.423 176.300 -0.118 0.000 1.164 501 D CA 1.414 55.367 54.000 -0.078 0.000 0.782 501 D CB -1.097 39.658 40.800 -0.075 0.000 1.094 501 D HN 0.480 nan 8.370 nan 0.000 0.425 502 A N -0.132 122.619 122.820 -0.114 0.000 2.299 502 A HA 0.689 5.009 4.320 -0.000 0.000 0.332 502 A C 1.206 178.628 177.584 -0.270 0.000 1.131 502 A CA -0.503 51.425 52.037 -0.183 0.000 0.844 502 A CB 1.257 20.203 19.000 -0.091 0.000 1.251 502 A HN 0.130 nan 8.150 nan 0.000 0.486 503 I N -0.837 119.451 120.570 -0.471 0.000 2.617 503 I HA 0.131 4.301 4.170 -0.000 0.000 0.256 503 I C -0.700 175.080 176.117 -0.562 0.000 1.167 503 I CA 0.733 61.643 61.300 -0.650 0.000 1.469 503 I CB -0.079 37.285 38.000 -1.060 0.000 1.098 503 I HN 0.470 nan 8.210 nan 0.000 0.436 504 F N -0.403 119.384 119.950 -0.271 0.000 2.593 504 F HA 0.625 5.152 4.527 -0.000 0.000 0.320 504 F C 0.753 176.452 175.800 -0.168 0.000 1.060 504 F CA -1.281 56.569 58.000 -0.248 0.000 0.940 504 F CB 0.663 39.493 39.000 -0.282 0.000 1.268 504 F HN -0.257 nan 8.300 nan 0.000 0.475 505 G N -0.355 108.500 108.800 0.091 0.000 2.535 505 G HA2 0.265 4.225 3.960 -0.000 0.000 0.303 505 G HA3 0.265 4.225 3.960 -0.000 0.000 0.303 505 G C 0.635 175.541 174.900 0.009 0.000 1.237 505 G CA -0.344 44.777 45.100 0.036 0.000 0.986 505 G HN 0.749 nan 8.290 nan 0.000 0.494 506 E N -1.026 119.186 120.200 0.019 0.000 2.097 506 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 506 E C 2.231 178.814 176.600 -0.028 0.000 1.000 506 E CA 1.902 58.296 56.400 -0.009 0.000 0.804 506 E CB -0.141 29.576 29.700 0.029 0.000 0.740 506 E HN 0.460 nan 8.360 nan 0.000 0.454 507 T N 0.742 115.293 114.554 -0.004 0.000 2.821 507 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 507 T C 1.694 176.336 174.700 -0.098 0.000 1.046 507 T CA 1.356 63.433 62.100 -0.037 0.000 1.139 507 T CB -0.217 68.663 68.868 0.021 0.000 0.871 507 T HN 0.162 nan 8.240 nan 0.000 0.454 508 M N 1.352 120.882 119.600 -0.117 0.000 2.080 508 M HA -0.069 4.411 4.480 -0.000 0.000 0.260 508 M C 2.090 178.277 176.300 -0.188 0.000 1.068 508 M CA 1.528 56.700 55.300 -0.214 0.000 1.109 508 M CB -0.601 31.720 32.600 -0.464 0.000 1.342 508 M HN 0.064 nan 8.290 nan 0.000 0.405 509 V N -0.014 119.817 119.914 -0.139 0.000 2.379 509 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 509 V C 2.339 178.396 176.094 -0.061 0.000 1.044 509 V CA 1.677 63.939 62.300 -0.063 0.000 1.036 509 V CB -0.898 30.898 31.823 -0.046 0.000 0.664 509 V HN 0.411 nan 8.190 nan 0.000 0.453 510 E N 0.083 120.228 120.200 -0.092 0.000 2.274 510 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 510 E C 2.116 178.555 176.600 -0.268 0.000 0.996 510 E CA 0.808 57.150 56.400 -0.097 0.000 0.840 510 E CB -0.023 29.649 29.700 -0.047 0.000 0.772 510 E HN 0.513 nan 8.360 nan 0.000 0.491 511 L N -0.857 120.109 121.223 -0.429 0.000 2.168 511 L HA 0.121 4.460 4.340 -0.000 0.000 0.203 511 L C 2.379 179.007 176.870 -0.404 0.000 1.078 511 L CA 1.062 55.386 54.840 -0.859 0.000 0.780 511 L CB -0.837 40.799 42.059 -0.706 0.000 0.939 511 L HN 0.113 nan 8.230 nan 0.000 0.451 512 G N 0.221 108.993 108.800 -0.047 0.000 2.402 512 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 512 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 512 G C 1.807 176.797 174.900 0.150 0.000 1.162 512 G CA 0.857 46.107 45.100 0.250 0.000 0.777 512 G HN 0.404 nan 8.290 nan 0.000 0.539 513 A N 1.731 124.584 122.820 0.055 0.000 1.877 513 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 513 A C 0.789 178.373 177.584 -0.001 0.000 1.186 513 A CA 2.043 54.125 52.037 0.074 0.000 0.620 513 A CB -1.205 17.836 19.000 0.068 0.000 0.822 513 A HN 0.377 nan 8.150 nan 0.000 0.443 514 P HA -0.152 nan 4.420 nan 0.000 0.214 514 P C 1.282 178.481 177.300 -0.168 0.000 1.163 514 P CA 1.183 64.193 63.100 -0.151 0.000 0.883 514 P CB -0.283 31.290 31.700 -0.212 0.000 0.788 515 F N -0.444 119.352 119.950 -0.257 0.000 2.120 515 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 515 F C 2.761 178.179 175.800 -0.637 0.000 1.095 515 F CA 1.448 59.098 58.000 -0.584 0.000 1.249 515 F CB -0.844 37.431 39.000 -1.208 0.000 0.995 515 F HN -0.010 nan 8.300 nan 0.000 0.480 516 S N 0.577 116.124 115.700 -0.255 0.000 2.335 516 S HA -0.113 4.357 4.470 -0.000 0.000 0.217 516 S C 2.004 176.654 174.600 0.084 0.000 1.032 516 S CA 0.947 59.163 58.200 0.027 0.000 0.985 516 S CB -0.499 62.903 63.200 0.336 0.000 0.896 516 S HN 0.283 nan 8.310 nan 0.000 0.445 517 L N 1.068 122.345 121.223 0.090 0.000 2.131 517 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 517 L C 2.863 179.811 176.870 0.130 0.000 1.092 517 L CA 1.072 55.978 54.840 0.109 0.000 0.759 517 L CB -0.496 41.619 42.059 0.093 0.000 0.903 517 L HN 0.253 nan 8.230 nan 0.000 0.435 518 K N 0.621 121.085 120.400 0.105 0.000 2.097 518 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 518 K C 2.000 178.665 176.600 0.109 0.000 1.050 518 K CA 1.455 57.829 56.287 0.145 0.000 0.938 518 K CB -0.451 32.077 32.500 0.046 0.000 0.718 518 K HN 0.354 nan 8.250 nan 0.000 0.442 519 G N 0.609 109.421 108.800 0.020 0.000 2.430 519 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 519 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 519 G C 1.456 176.378 174.900 0.036 0.000 1.146 519 G CA 0.092 45.169 45.100 -0.038 0.000 0.793 519 G HN 0.112 nan 8.290 nan 0.000 0.537 520 L N 0.484 121.761 121.223 0.090 0.000 2.007 520 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 520 L C 2.818 179.782 176.870 0.157 0.000 1.073 520 L CA 1.305 56.211 54.840 0.110 0.000 0.744 520 L CB -0.754 41.365 42.059 0.100 0.000 0.898 520 L HN 0.139 nan 8.230 nan 0.000 0.435 521 M N -1.076 118.645 119.600 0.202 0.000 2.419 521 M HA 0.090 4.570 4.480 -0.000 0.000 0.264 521 M C 2.058 178.648 176.300 0.484 0.000 1.082 521 M CA 0.944 56.388 55.300 0.241 0.000 1.119 521 M CB -1.699 30.900 32.600 -0.002 0.000 1.398 521 M HN 0.296 nan 8.290 nan 0.000 0.453 522 G N 0.632 109.708 108.800 0.460 0.000 2.598 522 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 522 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 522 G C 0.845 175.939 174.900 0.324 0.000 1.131 522 G CA -0.119 45.217 45.100 0.395 0.000 0.785 522 G HN 0.436 nan 8.290 nan 0.000 0.539 523 N N 1.188 120.041 118.700 0.256 0.000 2.412 523 N HA 0.020 4.760 4.740 -0.000 0.000 0.254 523 N C -1.000 174.593 175.510 0.138 0.000 1.232 523 N CA -1.072 52.076 53.050 0.163 0.000 0.880 523 N CB 1.868 40.447 38.487 0.153 0.000 1.076 523 N HN -0.035 nan 8.380 nan 0.000 0.458 524 P HA -0.157 nan 4.420 nan 0.000 0.219 524 P C 1.476 178.552 177.300 -0.375 0.000 1.146 524 P CA 1.219 64.146 63.100 -0.289 0.000 0.808 524 P CB -0.160 31.218 31.700 -0.537 0.000 0.779 525 I N -3.467 117.054 120.570 -0.082 0.000 2.916 525 I HA -0.088 4.082 4.170 -0.000 0.000 0.267 525 I C 1.541 177.949 176.117 0.485 0.000 1.263 525 I CA 1.178 62.659 61.300 0.301 0.000 1.471 525 I CB -1.071 37.277 38.000 0.581 0.000 1.089 525 I HN -0.163 nan 8.210 nan 0.000 0.468 526 C N 1.328 120.781 119.300 0.255 0.000 2.618 526 C HA 0.189 4.649 4.460 -0.000 0.000 0.264 526 C C 1.756 176.785 174.990 0.064 0.000 1.334 526 C CA 0.259 59.380 59.018 0.172 0.000 1.731 526 C CB -1.530 26.349 27.740 0.232 0.000 1.852 526 C HN 0.711 nan 8.230 nan 0.000 0.566 527 S N 1.794 117.367 115.700 -0.210 0.000 2.580 527 S HA 0.210 4.680 4.470 -0.000 0.000 0.274 527 S C -1.644 172.931 174.600 -0.041 0.000 1.329 527 S CA -0.618 57.229 58.200 -0.588 0.000 1.036 527 S CB 0.794 63.649 63.200 -0.575 0.000 0.919 527 S HN 0.063 nan 8.310 nan 0.000 0.515 528 P HA -0.132 nan 4.420 nan 0.000 0.216 528 P C 1.485 178.725 177.300 -0.101 0.000 1.153 528 P CA 1.201 64.035 63.100 -0.445 0.000 0.858 528 P CB 0.035 31.332 31.700 -0.672 0.000 0.789 529 Q N -2.368 117.411 119.800 -0.035 0.000 2.369 529 Q HA -0.072 4.268 4.340 -0.000 0.000 0.206 529 Q C 1.772 177.745 176.000 -0.046 0.000 0.963 529 Q CA 1.251 57.031 55.803 -0.037 0.000 0.894 529 Q CB -0.432 28.278 28.738 -0.046 0.000 0.965 529 Q HN 0.483 nan 8.270 nan 0.000 0.475 530 Y N -2.081 118.217 120.300 -0.005 0.000 2.441 530 Y HA 0.011 4.561 4.550 -0.000 0.000 0.288 530 Y C 1.111 177.078 175.900 0.112 0.000 1.118 530 Y CA -0.241 57.866 58.100 0.011 0.000 1.215 530 Y CB 0.358 38.869 38.460 0.085 0.000 1.118 530 Y HN 0.165 nan 8.280 nan 0.000 0.547 531 W N 5.098 126.544 121.300 0.244 0.000 1.564 531 W HA 0.210 4.870 4.660 -0.000 0.000 0.480 531 W C -0.734 175.889 176.519 0.173 0.000 0.699 531 W CA 0.139 57.705 57.345 0.368 0.000 1.985 531 W CB -0.517 29.250 29.460 0.511 0.000 1.738 531 W HN 0.079 nan 8.180 nan 0.000 0.218 532 K N 2.413 122.627 120.400 -0.311 0.000 2.556 532 K HA 0.410 4.730 4.320 -0.000 0.000 0.274 532 K C -2.637 173.478 176.600 -0.808 0.000 0.966 532 K CA -1.598 54.356 56.287 -0.555 0.000 0.865 532 K CB 1.565 33.914 32.500 -0.251 0.000 1.444 532 K HN -0.290 nan 8.250 nan 0.000 0.433 533 P HA -0.260 nan 4.420 nan 0.000 0.216 533 P C 1.210 178.378 177.300 -0.220 0.000 1.153 533 P CA 1.978 64.766 63.100 -0.521 0.000 0.858 533 P CB 0.041 31.610 31.700 -0.217 0.000 0.789 534 S N -1.968 113.605 115.700 -0.212 0.000 2.419 534 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 534 S C 1.838 176.322 174.600 -0.192 0.000 1.016 534 S CA 1.771 59.897 58.200 -0.123 0.000 0.974 534 S CB -1.967 61.167 63.200 -0.110 0.000 0.786 534 S HN 0.129 nan 8.310 nan 0.000 0.492 535 T N 1.493 115.789 114.554 -0.430 0.000 2.833 535 T HA 0.036 4.386 4.350 -0.000 0.000 0.269 535 T C 0.516 174.860 174.700 -0.593 0.000 1.054 535 T CA 1.137 62.843 62.100 -0.657 0.000 1.135 535 T CB -0.468 67.741 68.868 -1.098 0.000 0.869 535 T HN 0.626 nan 8.240 nan 0.000 0.466 536 F N 0.149 120.100 119.950 0.003 0.000 2.772 536 F HA 0.494 5.021 4.527 -0.000 0.000 0.302 536 F C 1.571 177.468 175.800 0.162 0.000 1.136 536 F CA -0.537 57.524 58.000 0.102 0.000 1.322 536 F CB 0.178 39.256 39.000 0.130 0.000 0.967 536 F HN 0.181 nan 8.300 nan 0.000 0.513 537 G N 0.198 109.171 108.800 0.288 0.000 2.143 537 G HA2 0.088 4.048 3.960 -0.000 0.000 0.249 537 G HA3 0.088 4.048 3.960 -0.000 0.000 0.249 537 G C 0.583 175.664 174.900 0.301 0.000 0.981 537 G CA -0.008 45.304 45.100 0.354 0.000 0.665 537 G HN 1.250 nan 8.290 nan 0.000 0.528 538 G N -1.440 107.477 108.800 0.196 0.000 2.422 538 G HA2 0.242 4.202 3.960 -0.000 0.000 0.607 538 G HA3 0.242 4.202 3.960 -0.000 0.000 0.607 538 G C 0.324 175.312 174.900 0.146 0.000 1.270 538 G CA 0.512 45.690 45.100 0.130 0.000 0.992 538 G HN 0.487 nan 8.290 nan 0.000 0.499 539 E N -0.649 119.617 120.200 0.111 0.000 2.204 539 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 539 E C 2.775 179.460 176.600 0.140 0.000 0.990 539 E CA 1.495 57.986 56.400 0.151 0.000 0.821 539 E CB -0.171 29.586 29.700 0.095 0.000 0.750 539 E HN 0.409 nan 8.360 nan 0.000 0.477 540 V N 0.576 120.546 119.914 0.092 0.000 2.323 540 V HA -0.128 3.992 4.120 -0.000 0.000 0.244 540 V C 2.412 178.567 176.094 0.101 0.000 1.041 540 V CA 1.883 64.221 62.300 0.063 0.000 1.025 540 V CB -0.933 30.898 31.823 0.012 0.000 0.656 540 V HN 0.303 nan 8.190 nan 0.000 0.451 541 G N -0.881 108.012 108.800 0.156 0.000 2.418 541 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.217 541 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.217 541 G C 1.546 176.580 174.900 0.223 0.000 1.158 541 G CA 0.716 45.940 45.100 0.206 0.000 0.771 541 G HN 0.405 nan 8.290 nan 0.000 0.545 542 F N 1.702 121.675 119.950 0.039 0.000 2.171 542 F HA 0.018 4.545 4.527 -0.000 0.000 0.300 542 F C 2.495 178.226 175.800 -0.115 0.000 1.090 542 F CA 1.426 59.361 58.000 -0.109 0.000 1.293 542 F CB -0.277 38.686 39.000 -0.063 0.000 1.013 542 F HN 0.199 nan 8.300 nan 0.000 0.486 543 K N 0.453 120.861 120.400 0.014 0.000 2.148 543 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 543 K C 2.118 178.689 176.600 -0.049 0.000 1.050 543 K CA 1.505 57.749 56.287 -0.071 0.000 0.942 543 K CB -0.332 32.161 32.500 -0.011 0.000 0.724 543 K HN 0.339 nan 8.250 nan 0.000 0.446 544 I N 0.774 121.344 120.570 0.001 0.000 2.208 544 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 544 I C 2.096 178.228 176.117 0.025 0.000 1.097 544 I CA 1.350 62.665 61.300 0.024 0.000 1.363 544 I CB -0.261 37.774 38.000 0.059 0.000 1.051 544 I HN 0.204 nan 8.210 nan 0.000 0.413 545 I N 0.590 121.153 120.570 -0.011 0.000 2.202 545 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 545 I C 1.865 178.020 176.117 0.063 0.000 1.091 545 I CA 1.289 62.614 61.300 0.041 0.000 1.368 545 I CB -0.475 37.512 38.000 -0.022 0.000 1.058 545 I HN 0.274 nan 8.210 nan 0.000 0.410 546 N N 0.353 119.001 118.700 -0.086 0.000 2.521 546 N HA -0.059 4.681 4.740 -0.000 0.000 0.188 546 N C 1.277 176.780 175.510 -0.012 0.000 1.146 546 N CA 1.415 54.424 53.050 -0.068 0.000 0.893 546 N CB -0.009 38.315 38.487 -0.273 0.000 0.975 546 N HN 0.481 nan 8.380 nan 0.000 0.451 547 T N -3.479 111.074 114.554 -0.003 0.000 3.091 547 T HA 0.466 4.816 4.350 -0.000 0.000 0.277 547 T C 0.555 175.269 174.700 0.023 0.000 0.996 547 T CA -0.558 61.546 62.100 0.007 0.000 0.897 547 T CB 0.348 69.211 68.868 -0.009 0.000 1.109 547 T HN 0.070 nan 8.240 nan 0.000 0.534 548 A N 1.952 124.804 122.820 0.053 0.000 2.445 548 A HA 0.659 4.978 4.320 -0.000 0.000 0.242 548 A C 0.622 178.230 177.584 0.039 0.000 1.075 548 A CA -0.081 51.991 52.037 0.059 0.000 0.777 548 A CB 0.065 19.135 19.000 0.116 0.000 1.013 548 A HN 1.071 nan 8.150 nan 0.000 0.493 549 S N 0.981 116.681 115.700 -0.000 0.000 2.596 549 S HA 0.442 4.912 4.470 -0.000 0.000 0.270 549 S C 0.393 174.934 174.600 -0.099 0.000 1.155 549 S CA -0.140 58.036 58.200 -0.041 0.000 0.827 549 S CB 0.561 63.723 63.200 -0.063 0.000 1.130 549 S HN 1.078 nan 8.310 nan 0.000 0.467 550 I N 1.215 121.673 120.570 -0.187 0.000 2.361 550 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 550 I C 2.400 178.350 176.117 -0.279 0.000 1.133 550 I CA 2.013 63.137 61.300 -0.293 0.000 1.413 550 I CB -0.554 37.021 38.000 -0.708 0.000 1.073 550 I HN 0.914 nan 8.210 nan 0.000 0.424 551 Q N 0.292 119.929 119.800 -0.272 0.000 2.083 551 Q HA -0.144 4.196 4.340 -0.000 0.000 0.198 551 Q C 2.401 178.300 176.000 -0.169 0.000 0.969 551 Q CA 2.262 57.915 55.803 -0.250 0.000 0.838 551 Q CB -0.464 28.129 28.738 -0.242 0.000 0.900 551 Q HN 0.655 nan 8.270 nan 0.000 0.436 552 S N -0.202 115.420 115.700 -0.130 0.000 2.368 552 S HA -0.145 4.324 4.470 -0.000 0.000 0.224 552 S C 1.901 176.430 174.600 -0.117 0.000 1.029 552 S CA 1.039 59.181 58.200 -0.097 0.000 0.988 552 S CB -0.753 62.409 63.200 -0.064 0.000 0.838 552 S HN 0.404 nan 8.310 nan 0.000 0.462 553 L N 1.153 122.289 121.223 -0.145 0.000 1.990 553 L HA -0.040 4.300 4.340 -0.000 0.000 0.213 553 L C 2.169 178.913 176.870 -0.209 0.000 1.072 553 L CA 1.762 56.475 54.840 -0.211 0.000 0.755 553 L CB -0.785 41.100 42.059 -0.290 0.000 0.889 553 L HN 0.284 nan 8.230 nan 0.000 0.432 554 I N -1.284 119.175 120.570 -0.186 0.000 2.439 554 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 554 I C 2.707 178.744 176.117 -0.133 0.000 1.139 554 I CA 1.199 62.400 61.300 -0.165 0.000 1.438 554 I CB -1.028 36.877 38.000 -0.158 0.000 1.085 554 I HN 0.488 nan 8.210 nan 0.000 0.427 555 c N 0.950 119.478 118.600 -0.120 0.000 2.440 555 c HA -0.087 4.483 4.570 -0.000 0.000 0.278 555 c C 2.605 176.645 174.090 -0.083 0.000 1.295 555 c CA 0.844 57.120 56.329 -0.088 0.000 1.738 555 c CB -1.219 41.246 42.510 -0.075 0.000 1.987 555 c HN 0.504 nan 8.230 nan 0.000 0.492 556 N N 1.161 119.805 118.700 -0.093 0.000 2.457 556 N HA 0.005 4.745 4.740 -0.000 0.000 0.180 556 N C 1.038 176.491 175.510 -0.096 0.000 1.050 556 N CA 0.888 53.889 53.050 -0.083 0.000 0.906 556 N CB -0.357 38.083 38.487 -0.077 0.000 0.968 556 N HN 0.653 nan 8.380 nan 0.000 0.445 557 N N -0.634 117.994 118.700 -0.120 0.000 2.168 557 N HA 0.101 4.841 4.740 -0.000 0.000 0.216 557 N C -0.610 174.813 175.510 -0.145 0.000 1.259 557 N CA 0.127 53.093 53.050 -0.139 0.000 0.902 557 N CB 1.972 40.356 38.487 -0.171 0.000 1.079 557 N HN -0.117 nan 8.380 nan 0.000 0.507 558 V N 2.001 121.839 119.914 -0.126 0.000 2.459 558 V HA 0.218 4.338 4.120 -0.000 0.000 0.295 558 V C 0.462 176.506 176.094 -0.084 0.000 1.029 558 V CA -1.112 61.119 62.300 -0.115 0.000 0.874 558 V CB 2.419 34.177 31.823 -0.108 0.000 0.985 558 V HN -0.015 nan 8.190 nan 0.000 0.438 559 K N 2.924 123.277 120.400 -0.078 0.000 2.491 559 K HA 0.245 4.565 4.320 -0.000 0.000 0.279 559 K C 1.207 177.787 176.600 -0.034 0.000 1.026 559 K CA 1.326 57.581 56.287 -0.054 0.000 1.070 559 K CB -0.048 32.424 32.500 -0.048 0.000 0.887 559 K HN 1.162 nan 8.250 nan 0.000 0.481 560 G N 2.915 111.699 108.800 -0.027 0.000 2.195 560 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.246 560 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.246 560 G C 0.384 175.278 174.900 -0.011 0.000 0.984 560 G CA -0.160 44.932 45.100 -0.013 0.000 0.633 560 G HN 1.169 nan 8.290 nan 0.000 0.525 561 c N 1.219 119.804 118.600 -0.025 0.000 3.349 561 c HA -0.082 4.488 4.570 -0.000 0.000 0.275 561 c C -0.254 173.834 174.090 -0.003 0.000 1.322 561 c CA -0.054 56.259 56.329 -0.027 0.000 2.261 561 c CB -1.808 40.688 42.510 -0.023 0.000 1.446 561 c HN 0.803 nan 8.230 nan 0.000 0.533 562 P HA 0.189 nan 4.420 nan 0.000 0.268 562 P C -0.097 177.238 177.300 0.058 0.000 1.208 562 P CA 0.054 63.178 63.100 0.040 0.000 0.777 562 P CB 0.352 32.069 31.700 0.028 0.000 0.875 563 F N 1.847 121.780 119.950 -0.028 0.000 2.484 563 F HA 0.364 4.891 4.527 -0.000 0.000 0.360 563 F C 0.368 176.148 175.800 -0.034 0.000 1.101 563 F CA 0.845 58.824 58.000 -0.034 0.000 1.251 563 F CB 0.733 39.717 39.000 -0.027 0.000 1.132 563 F HN 0.315 nan 8.300 nan 0.000 0.570 564 T N 3.682 117.643 114.554 -0.988 0.000 2.812 564 T HA 0.645 4.994 4.350 -0.000 0.000 0.294 564 T C -1.419 172.653 174.700 -1.047 0.000 1.159 564 T CA -0.276 61.357 62.100 -0.778 0.000 1.008 564 T CB 1.456 70.123 68.868 -0.336 0.000 1.289 564 T HN 0.927 nan 8.240 nan 0.000 0.514 565 S N 0.001 115.365 115.700 -0.559 0.000 2.611 565 S HA 0.441 4.911 4.470 -0.000 0.000 0.270 565 S C -0.848 173.624 174.600 -0.213 0.000 1.131 565 S CA -0.598 57.343 58.200 -0.432 0.000 0.826 565 S CB 0.321 63.393 63.200 -0.214 0.000 1.095 565 S HN 0.651 nan 8.310 nan 0.000 0.461 566 F N 1.732 121.595 119.950 -0.145 0.000 2.776 566 F HA 0.223 4.750 4.527 -0.000 0.000 0.300 566 F C 0.954 176.493 175.800 -0.436 0.000 1.116 566 F CA -0.270 57.607 58.000 -0.204 0.000 1.375 566 F CB 0.249 39.109 39.000 -0.233 0.000 1.109 566 F HN 0.650 nan 8.300 nan 0.000 0.585 567 N N -1.433 117.194 118.700 -0.123 0.000 2.265 567 N HA 0.348 5.088 4.740 -0.000 0.000 0.300 567 N C -1.080 174.458 175.510 0.046 0.000 1.148 567 N CA -0.714 52.281 53.050 -0.093 0.000 0.772 567 N CB 1.313 39.779 38.487 -0.036 0.000 1.434 567 N HN -0.272 nan 8.380 nan 0.000 0.481 568 V N 1.880 121.824 119.914 0.050 0.000 2.673 568 V HA -0.006 4.114 4.120 -0.000 0.000 0.303 568 V C 0.803 176.939 176.094 0.071 0.000 1.046 568 V CA -0.159 62.185 62.300 0.074 0.000 1.126 568 V CB 0.185 32.040 31.823 0.053 0.000 0.934 568 V HN 0.793 nan 8.190 nan 0.000 0.487 569 Q N 0.000 119.846 119.800 0.076 0.000 2.315 569 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 569 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 569 Q CB 0.000 28.714 28.738 -0.041 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481