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 1dgh_1_A DATA FIRST_RESID 5 DATA SEQUENCE RDPASDQMQH WKEQRAAQKA DVLTTGAGNP VGDKLNVITV GPRGPLLVQD DATA SEQUENCE VVFTDEMAHF DRERIPERVV HAKGAGAFGY FEVTHDITKY SKAKVFEHIG DATA SEQUENCE KKTPIAVRFS TVAGESGSAD TVRDPRGFAV KFYTEDGNWD LVGNNTPIFF DATA SEQUENCE IRDPILFPSF IHSQKRNPQT HLKDPDMVWD FWSLRPESLH QVSFLFSDRG DATA SEQUENCE IPDGHRHMNG YGSHTFKLVN ANGEAVYCKF HYKTDQGIKN LSVEDAARLS DATA SEQUENCE QEDPDYGIRD LFNAIATGKY PSWTFYIQVM TFNQAETFPF NPFDLTKVWP DATA SEQUENCE HKDYPLIPVG KLVLNRNPVN YFAEVEQIAF DPSNMPPGIE ASPDKMLQGR DATA SEQUENCE LFAYPDTHRH RLGPNYLHIP VNCPYRARVA NYQRDGPMCM QDNQGGAPNY DATA SEQUENCE YPNSFGAPEQ QPSALEHSIQ YSGEVRRFNT ANDDNVTQVR AFYVNVLNEE DATA SEQUENCE QRKRLCENIA GHLKDAQIFI QKKAVKNFTE VHPDYGSHIQ ALLDKYN 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.328 176.300 0.047 0.000 0.893 5 R CA 0.000 56.119 56.100 0.032 0.000 0.921 5 R CB 0.000 30.308 30.300 0.014 0.000 0.687 6 D N 0.929 121.356 120.400 0.045 0.000 2.382 6 D HA 0.063 4.703 4.640 0.001 0.000 0.240 6 D C -1.825 174.532 176.300 0.095 0.000 1.146 6 D CA -1.398 52.644 54.000 0.070 0.000 0.897 6 D CB 0.558 41.394 40.800 0.061 0.000 1.197 6 D HN 0.067 nan 8.370 nan 0.000 0.432 7 P HA -0.175 nan 4.420 nan 0.000 0.216 7 P C 1.323 178.770 177.300 0.246 0.000 1.150 7 P CA 2.604 65.855 63.100 0.251 0.000 0.843 7 P CB 0.003 31.885 31.700 0.304 0.000 0.787 8 A N -0.731 122.225 122.820 0.225 0.000 1.883 8 A HA -0.215 4.105 4.320 0.001 0.000 0.217 8 A C 2.348 179.870 177.584 -0.102 0.000 1.186 8 A CA 2.383 54.399 52.037 -0.035 0.000 0.624 8 A CB -1.546 17.392 19.000 -0.104 0.000 0.822 8 A HN 0.151 nan 8.150 nan 0.000 0.444 9 S N 0.091 115.759 115.700 -0.053 0.000 2.402 9 S HA -0.094 4.376 4.470 0.001 0.000 0.229 9 S C 0.869 175.411 174.600 -0.097 0.000 1.021 9 S CA 1.195 59.354 58.200 -0.069 0.000 0.974 9 S CB -0.277 62.900 63.200 -0.039 0.000 0.800 9 S HN 0.579 nan 8.310 nan 0.000 0.484 10 D N 1.144 121.457 120.400 -0.146 0.000 2.325 10 D HA 0.048 4.688 4.640 0.001 0.000 0.234 10 D C 1.691 177.765 176.300 -0.376 0.000 1.122 10 D CA 0.002 53.815 54.000 -0.310 0.000 0.850 10 D CB -0.119 40.374 40.800 -0.511 0.000 0.921 10 D HN 0.265 nan 8.370 nan 0.000 0.513 11 Q N 0.654 120.368 119.800 -0.145 0.000 1.985 11 Q HA -0.187 4.153 4.340 0.001 0.000 0.207 11 Q C 1.892 177.930 176.000 0.063 0.000 0.996 11 Q CA 1.338 57.138 55.803 -0.005 0.000 0.851 11 Q CB -0.113 28.608 28.738 -0.030 0.000 0.921 11 Q HN 0.334 nan 8.270 nan 0.000 0.418 12 M N 0.098 119.708 119.600 0.017 0.000 2.108 12 M HA -0.228 4.253 4.480 0.001 0.000 0.261 12 M C 2.297 178.695 176.300 0.164 0.000 1.066 12 M CA 1.925 57.268 55.300 0.072 0.000 1.107 12 M CB -0.404 32.191 32.600 -0.007 0.000 1.356 12 M HN 0.187 nan 8.290 nan 0.000 0.406 13 Q N 0.357 120.199 119.800 0.070 0.000 2.030 13 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 13 Q C 1.605 177.740 176.000 0.224 0.000 0.986 13 Q CA 2.079 57.944 55.803 0.103 0.000 0.843 13 Q CB -0.491 28.262 28.738 0.024 0.000 0.904 13 Q HN 0.630 nan 8.270 nan 0.000 0.420 14 H N -2.226 116.936 119.070 0.153 0.000 2.387 14 H HA -0.162 4.394 4.556 0.001 0.000 0.299 14 H C 1.490 176.915 175.328 0.161 0.000 1.090 14 H CA 0.825 56.956 56.048 0.139 0.000 1.332 14 H CB -0.234 29.616 29.762 0.146 0.000 1.386 14 H HN 0.432 nan 8.280 nan 0.000 0.516 15 W N 2.490 123.890 121.300 0.167 0.000 2.355 15 W HA -0.176 4.484 4.660 0.001 0.000 0.309 15 W C 2.590 179.153 176.519 0.074 0.000 1.206 15 W CA 1.600 59.007 57.345 0.103 0.000 1.284 15 W CB 0.048 29.554 29.460 0.076 0.000 1.145 15 W HN -0.028 nan 8.180 nan 0.000 0.502 16 K N 0.473 121.111 120.400 0.396 0.000 2.032 16 K HA -0.250 4.071 4.320 0.001 0.000 0.209 16 K C 1.834 178.453 176.600 0.033 0.000 1.048 16 K CA 2.151 58.577 56.287 0.231 0.000 0.927 16 K CB -0.404 32.236 32.500 0.235 0.000 0.712 16 K HN 0.198 nan 8.250 nan 0.000 0.441 17 E N 0.536 120.777 120.200 0.068 0.000 2.110 17 E HA -0.252 4.099 4.350 0.001 0.000 0.193 17 E C 2.112 178.681 176.600 -0.051 0.000 0.988 17 E CA 1.585 57.999 56.400 0.023 0.000 0.804 17 E CB -0.064 29.678 29.700 0.070 0.000 0.745 17 E HN 0.543 nan 8.360 nan 0.000 0.458 18 Q N 0.843 120.584 119.800 -0.098 0.000 2.364 18 Q HA -0.129 4.211 4.340 0.001 0.000 0.209 18 Q C 0.912 176.784 176.000 -0.214 0.000 0.977 18 Q CA 1.059 56.767 55.803 -0.157 0.000 0.885 18 Q CB -0.052 28.570 28.738 -0.193 0.000 0.941 18 Q HN 0.063 nan 8.270 nan 0.000 0.464 19 R N 0.446 120.787 120.500 -0.265 0.000 3.585 19 R HA 0.376 4.717 4.340 0.001 0.000 0.324 19 R C 0.766 176.988 176.300 -0.131 0.000 1.372 19 R CA 0.227 56.176 56.100 -0.252 0.000 1.291 19 R CB 0.558 30.613 30.300 -0.408 0.000 1.470 19 R HN 0.297 nan 8.270 nan 0.000 0.633 20 A N 1.549 124.315 122.820 -0.091 0.000 1.836 20 A HA -0.102 4.219 4.320 0.001 0.000 0.215 20 A C 1.359 178.919 177.584 -0.040 0.000 1.214 20 A CA 1.684 53.692 52.037 -0.049 0.000 0.636 20 A CB -0.325 18.652 19.000 -0.039 0.000 0.847 20 A HN 0.449 nan 8.150 nan 0.000 0.451 21 A N -1.342 121.453 122.820 -0.041 0.000 3.016 21 A HA 0.536 4.856 4.320 0.001 0.000 0.303 21 A C 0.574 178.134 177.584 -0.039 0.000 1.507 21 A CA 0.313 52.331 52.037 -0.032 0.000 1.196 21 A CB 0.188 19.172 19.000 -0.027 0.000 1.169 21 A HN 0.603 nan 8.150 nan 0.000 0.544 22 Q N 1.154 120.929 119.800 -0.041 0.000 2.618 22 Q HA 0.336 4.677 4.340 0.001 0.000 0.209 22 Q C -0.270 175.715 176.000 -0.025 0.000 0.797 22 Q CA 0.942 56.718 55.803 -0.046 0.000 0.888 22 Q CB 0.345 29.034 28.738 -0.081 0.000 1.244 22 Q HN 0.704 nan 8.270 nan 0.000 0.626 23 K N -0.601 119.791 120.400 -0.012 0.000 5.176 23 K HA -0.018 4.302 4.320 0.001 0.000 0.792 23 K C -1.274 175.336 176.600 0.018 0.000 2.280 23 K CA 0.563 56.854 56.287 0.006 0.000 1.717 23 K CB -1.380 31.122 32.500 0.003 0.000 2.930 23 K HN 0.373 nan 8.250 nan 0.000 0.145 24 A N 4.116 126.960 122.820 0.040 0.000 2.507 24 A HA 0.204 4.524 4.320 0.001 0.000 0.235 24 A C -0.021 177.595 177.584 0.053 0.000 1.070 24 A CA 0.613 52.689 52.037 0.066 0.000 0.768 24 A CB 0.126 19.173 19.000 0.078 0.000 1.011 24 A HN 0.660 nan 8.150 nan 0.000 0.502 25 D N 0.125 120.567 120.400 0.069 0.000 2.344 25 D HA 0.303 4.943 4.640 0.001 0.000 0.244 25 D C -0.026 176.298 176.300 0.039 0.000 1.134 25 D CA -0.002 54.029 54.000 0.051 0.000 0.930 25 D CB 1.057 41.895 40.800 0.063 0.000 1.175 25 D HN 0.187 nan 8.370 nan 0.000 0.437 26 V N 2.294 122.224 119.914 0.027 0.000 2.508 26 V HA -0.017 4.104 4.120 0.001 0.000 0.281 26 V C 0.460 176.564 176.094 0.016 0.000 1.041 26 V CA -0.603 61.708 62.300 0.019 0.000 1.016 26 V CB 0.991 32.822 31.823 0.013 0.000 0.984 26 V HN 0.305 nan 8.190 nan 0.000 0.478 27 L N 7.212 128.443 121.223 0.013 0.000 2.462 27 L HA 0.414 4.755 4.340 0.001 0.000 0.272 27 L C 0.551 177.422 176.870 0.001 0.000 1.166 27 L CA 0.932 55.775 54.840 0.006 0.000 0.880 27 L CB 0.561 42.622 42.059 0.003 0.000 1.142 27 L HN 0.966 nan 8.230 nan 0.000 0.473 28 T N 0.716 115.267 114.554 -0.005 0.000 2.888 28 T HA 0.741 5.091 4.350 0.001 0.000 0.288 28 T C 0.221 174.912 174.700 -0.015 0.000 1.063 28 T CA -0.149 61.947 62.100 -0.007 0.000 1.010 28 T CB 1.199 70.064 68.868 -0.006 0.000 1.214 28 T HN 0.781 nan 8.240 nan 0.000 0.533 29 T N -1.902 112.645 114.554 -0.012 0.000 2.810 29 T HA 0.491 4.842 4.350 0.001 0.000 0.277 29 T C 1.819 176.503 174.700 -0.027 0.000 0.973 29 T CA -0.093 61.996 62.100 -0.018 0.000 0.949 29 T CB 0.216 69.081 68.868 -0.006 0.000 1.075 29 T HN 0.945 nan 8.240 nan 0.000 0.537 30 G N -0.211 108.569 108.800 -0.033 0.000 2.450 30 G HA2 0.035 3.995 3.960 0.001 0.000 0.220 30 G HA3 0.035 3.995 3.960 0.001 0.000 0.220 30 G C 1.444 176.334 174.900 -0.016 0.000 1.130 30 G CA 0.497 45.575 45.100 -0.036 0.000 0.760 30 G HN 1.122 nan 8.290 nan 0.000 0.557 31 A N -0.302 122.513 122.820 -0.007 0.000 2.259 31 A HA 0.484 4.804 4.320 0.001 0.000 0.208 31 A C 1.975 179.558 177.584 -0.002 0.000 1.201 31 A CA 1.153 53.190 52.037 -0.001 0.000 0.824 31 A CB -0.552 18.450 19.000 0.003 0.000 0.838 31 A HN 1.559 nan 8.150 nan 0.000 0.485 32 G N -0.406 108.390 108.800 -0.006 0.000 2.159 32 G HA2 -0.280 3.681 3.960 0.001 0.000 0.256 32 G HA3 -0.280 3.681 3.960 0.001 0.000 0.256 32 G C -0.087 174.812 174.900 -0.001 0.000 0.977 32 G CA 0.160 45.257 45.100 -0.004 0.000 0.652 32 G HN 0.690 nan 8.290 nan 0.000 0.531 33 N N 2.041 120.741 118.700 -0.000 0.000 2.470 33 N HA 0.472 5.213 4.740 0.001 0.000 0.268 33 N C -2.625 172.887 175.510 0.003 0.000 1.136 33 N CA -1.347 51.704 53.050 0.003 0.000 0.961 33 N CB 1.010 39.499 38.487 0.005 0.000 1.067 33 N HN 0.104 nan 8.380 nan 0.000 0.468 34 P HA -0.035 nan 4.420 nan 0.000 0.266 34 P C -0.755 176.548 177.300 0.006 0.000 1.195 34 P CA 0.061 63.164 63.100 0.005 0.000 0.768 34 P CB 0.658 32.361 31.700 0.005 0.000 0.838 35 V N 3.376 123.294 119.914 0.006 0.000 2.398 35 V HA 0.345 4.466 4.120 0.001 0.000 0.286 35 V C 1.466 177.566 176.094 0.009 0.000 1.026 35 V CA 0.320 62.625 62.300 0.009 0.000 0.868 35 V CB 1.079 32.907 31.823 0.008 0.000 0.982 35 V HN 0.789 nan 8.190 nan 0.000 0.443 36 G N 2.810 111.615 108.800 0.009 0.000 2.396 36 G HA2 -0.020 3.941 3.960 0.001 0.000 0.214 36 G HA3 -0.020 3.941 3.960 0.001 0.000 0.214 36 G C 0.196 175.100 174.900 0.007 0.000 1.166 36 G CA 0.583 45.688 45.100 0.008 0.000 0.793 36 G HN 0.648 nan 8.290 nan 0.000 0.533 37 D N -1.214 119.192 120.400 0.009 0.000 2.478 37 D HA 0.205 4.845 4.640 0.001 0.000 0.240 37 D C -0.360 175.948 176.300 0.013 0.000 1.364 37 D CA -0.532 53.472 54.000 0.007 0.000 0.987 37 D CB 1.168 41.970 40.800 0.003 0.000 1.328 37 D HN -0.015 nan 8.370 nan 0.000 0.584 38 K N 3.966 124.373 120.400 0.011 0.000 2.681 38 K HA 0.275 4.596 4.320 0.001 0.000 0.211 38 K C 0.406 177.014 176.600 0.014 0.000 1.075 38 K CA -0.088 56.211 56.287 0.019 0.000 1.141 38 K CB 0.279 32.786 32.500 0.012 0.000 0.896 38 K HN 0.484 nan 8.250 nan 0.000 0.470 39 L N -0.259 120.967 121.223 0.006 0.000 2.920 39 L HA 0.260 4.601 4.340 0.001 0.000 0.257 39 L C -0.300 176.563 176.870 -0.011 0.000 1.150 39 L CA -0.116 54.722 54.840 -0.003 0.000 0.959 39 L CB 0.445 42.499 42.059 -0.008 0.000 1.321 39 L HN 0.054 nan 8.230 nan 0.000 0.555 40 N N 0.371 119.064 118.700 -0.012 0.000 2.287 40 N HA 0.369 5.110 4.740 0.001 0.000 0.289 40 N C -0.702 174.784 175.510 -0.040 0.000 1.066 40 N CA -0.226 52.806 53.050 -0.031 0.000 0.841 40 N CB 3.412 41.882 38.487 -0.029 0.000 1.599 40 N HN -0.192 nan 8.380 nan 0.000 0.476 41 V N -0.762 119.100 119.914 -0.087 0.000 3.170 41 V HA 0.569 4.690 4.120 0.001 0.000 0.309 41 V C 0.617 176.658 176.094 -0.088 0.000 1.071 41 V CA -0.730 61.497 62.300 -0.122 0.000 1.063 41 V CB 0.679 32.322 31.823 -0.300 0.000 1.123 41 V HN 0.490 nan 8.190 nan 0.000 0.464 42 I N 2.971 123.497 120.570 -0.073 0.000 2.396 42 I HA 0.448 4.619 4.170 0.001 0.000 0.289 42 I C 0.556 176.636 176.117 -0.061 0.000 1.056 42 I CA 0.294 61.566 61.300 -0.047 0.000 1.365 42 I CB 1.062 39.049 38.000 -0.021 0.000 1.407 42 I HN 1.039 nan 8.210 nan 0.000 0.509 43 T N 2.458 116.982 114.554 -0.050 0.000 2.901 43 T HA 0.407 4.758 4.350 0.001 0.000 0.293 43 T C -0.543 174.138 174.700 -0.032 0.000 1.084 43 T CA -0.806 61.265 62.100 -0.048 0.000 1.008 43 T CB 2.057 70.892 68.868 -0.055 0.000 1.170 43 T HN 0.246 nan 8.240 nan 0.000 0.509 44 V N 1.896 121.794 119.914 -0.027 0.000 2.322 44 V HA 0.635 4.755 4.120 0.001 0.000 0.258 44 V C 0.582 176.664 176.094 -0.019 0.000 1.074 44 V CA 1.260 63.549 62.300 -0.020 0.000 0.909 44 V CB -0.750 31.064 31.823 -0.016 0.000 1.090 44 V HN 1.821 nan 8.190 nan 0.000 0.486 45 G N 7.014 115.803 108.800 -0.018 0.000 2.699 45 G HA2 -0.105 3.856 3.960 0.001 0.000 0.686 45 G HA3 -0.105 3.856 3.960 0.001 0.000 0.686 45 G C -1.613 173.275 174.900 -0.021 0.000 1.301 45 G CA -0.218 44.871 45.100 -0.017 0.000 0.816 45 G HN 0.561 nan 8.290 nan 0.000 0.595 46 P HA -0.062 nan 4.420 nan 0.000 0.225 46 P C 0.920 178.204 177.300 -0.026 0.000 1.148 46 P CA 1.109 64.196 63.100 -0.023 0.000 0.779 46 P CB 0.141 31.830 31.700 -0.018 0.000 0.780 47 R N -0.284 120.202 120.500 -0.024 0.000 2.690 47 R HA 0.373 4.713 4.340 0.001 0.000 0.419 47 R C 0.794 177.079 176.300 -0.025 0.000 1.090 47 R CA -0.281 55.804 56.100 -0.025 0.000 1.064 47 R CB 1.111 31.399 30.300 -0.020 0.000 1.391 47 R HN 0.104 nan 8.270 nan 0.000 0.586 48 G N 1.485 110.268 108.800 -0.028 0.000 2.521 48 G HA2 0.465 4.425 3.960 0.001 0.000 0.323 48 G HA3 0.465 4.425 3.960 0.001 0.000 0.323 48 G C -2.366 172.513 174.900 -0.036 0.000 1.211 48 G CA -1.193 43.891 45.100 -0.027 0.000 0.979 48 G HN -0.117 nan 8.290 nan 0.000 0.490 49 P HA 0.200 nan 4.420 nan 0.000 0.272 49 P C -0.543 176.726 177.300 -0.050 0.000 1.240 49 P CA -0.552 62.525 63.100 -0.039 0.000 0.791 49 P CB 1.154 32.838 31.700 -0.026 0.000 0.978 50 L N 1.231 122.415 121.223 -0.065 0.000 2.349 50 L HA 0.241 4.581 4.340 0.001 0.000 0.275 50 L C -0.566 176.277 176.870 -0.045 0.000 1.115 50 L CA -0.172 54.617 54.840 -0.086 0.000 0.820 50 L CB -0.318 41.655 42.059 -0.144 0.000 1.135 50 L HN 0.138 nan 8.230 nan 0.000 0.445 51 L N 4.977 126.178 121.223 -0.036 0.000 2.343 51 L HA 0.319 4.660 4.340 0.001 0.000 0.275 51 L C 1.107 177.990 176.870 0.023 0.000 1.056 51 L CA -0.131 54.706 54.840 -0.005 0.000 0.804 51 L CB 1.586 43.642 42.059 -0.004 0.000 1.203 51 L HN 0.494 nan 8.230 nan 0.000 0.440 52 V N 1.320 121.254 119.914 0.033 0.000 2.626 52 V HA -0.224 3.896 4.120 0.001 0.000 0.252 52 V C 2.088 178.215 176.094 0.054 0.000 1.067 52 V CA 1.739 64.071 62.300 0.053 0.000 1.081 52 V CB -0.821 31.026 31.823 0.040 0.000 0.686 52 V HN 1.032 nan 8.190 nan 0.000 0.468 53 Q N 0.131 119.954 119.800 0.038 0.000 2.515 53 Q HA -0.107 4.234 4.340 0.001 0.000 0.212 53 Q C 0.539 176.567 176.000 0.046 0.000 0.970 53 Q CA 0.816 56.641 55.803 0.036 0.000 0.941 53 Q CB -0.312 28.440 28.738 0.023 0.000 0.998 53 Q HN 0.502 nan 8.270 nan 0.000 0.518 54 D N 1.849 122.288 120.400 0.065 0.000 2.517 54 D HA 0.030 4.670 4.640 0.001 0.000 0.220 54 D C 1.132 177.511 176.300 0.133 0.000 1.158 54 D CA -0.289 53.765 54.000 0.089 0.000 0.992 54 D CB 1.150 42.002 40.800 0.086 0.000 1.058 54 D HN 0.186 nan 8.370 nan 0.000 0.516 55 V N 1.290 121.256 119.914 0.086 0.000 2.871 55 V HA -0.099 4.022 4.120 0.001 0.000 0.256 55 V C 2.048 178.180 176.094 0.062 0.000 1.082 55 V CA 0.555 62.896 62.300 0.069 0.000 1.105 55 V CB -0.475 31.373 31.823 0.041 0.000 0.713 55 V HN 0.254 nan 8.190 nan 0.000 0.473 56 V N 0.410 120.369 119.914 0.075 0.000 2.287 56 V HA -0.244 3.877 4.120 0.001 0.000 0.248 56 V C 2.340 178.483 176.094 0.081 0.000 1.053 56 V CA 2.840 65.178 62.300 0.063 0.000 1.027 56 V CB -0.936 30.926 31.823 0.066 0.000 0.646 56 V HN 0.655 nan 8.190 nan 0.000 0.447 57 F N 1.410 121.359 119.950 -0.002 0.000 2.113 57 F HA -0.184 4.343 4.527 0.001 0.000 0.297 57 F C 2.438 178.244 175.800 0.010 0.000 1.103 57 F CA 2.335 60.333 58.000 -0.004 0.000 1.248 57 F CB -0.795 38.200 39.000 -0.007 0.000 0.999 57 F HN 0.124 nan 8.300 nan 0.000 0.475 58 T N -0.228 114.240 114.554 -0.144 0.000 2.708 58 T HA -0.233 4.118 4.350 0.001 0.000 0.266 58 T C 1.493 176.081 174.700 -0.186 0.000 1.037 58 T CA 1.720 63.677 62.100 -0.238 0.000 1.146 58 T CB -0.627 68.231 68.868 -0.016 0.000 0.865 58 T HN 0.412 nan 8.240 nan 0.000 0.435 59 D N 0.891 121.240 120.400 -0.085 0.000 2.116 59 D HA -0.166 4.474 4.640 0.001 0.000 0.193 59 D C 2.146 178.416 176.300 -0.050 0.000 0.998 59 D CA 1.560 55.534 54.000 -0.043 0.000 0.836 59 D CB -0.113 40.676 40.800 -0.018 0.000 0.951 59 D HN 0.556 nan 8.370 nan 0.000 0.449 60 E N -1.268 118.873 120.200 -0.098 0.000 2.046 60 E HA -0.181 4.170 4.350 0.001 0.000 0.190 60 E C 2.005 178.553 176.600 -0.088 0.000 0.982 60 E CA 0.733 57.084 56.400 -0.082 0.000 0.800 60 E CB -0.149 29.497 29.700 -0.089 0.000 0.756 60 E HN 0.234 nan 8.360 nan 0.000 0.449 61 M N 0.926 120.349 119.600 -0.295 0.000 2.117 61 M HA -0.037 4.444 4.480 0.001 0.000 0.262 61 M C 1.999 178.259 176.300 -0.067 0.000 1.065 61 M CA 1.859 56.995 55.300 -0.274 0.000 1.114 61 M CB -0.379 31.769 32.600 -0.753 0.000 1.361 61 M HN 0.172 nan 8.290 nan 0.000 0.408 62 A N -1.379 121.381 122.820 -0.099 0.000 1.972 62 A HA -0.215 4.106 4.320 0.001 0.000 0.219 62 A C 2.293 179.873 177.584 -0.007 0.000 1.169 62 A CA 1.832 53.844 52.037 -0.041 0.000 0.635 62 A CB -1.214 17.761 19.000 -0.043 0.000 0.810 62 A HN 0.740 nan 8.150 nan 0.000 0.446 63 H N -1.876 117.174 119.070 -0.032 0.000 2.403 63 H HA -0.077 4.480 4.556 0.001 0.000 0.298 63 H C 1.847 177.172 175.328 -0.006 0.000 1.059 63 H CA 1.659 57.692 56.048 -0.025 0.000 1.363 63 H CB -0.269 29.478 29.762 -0.024 0.000 1.410 63 H HN 0.502 nan 8.280 nan 0.000 0.528 64 F N 2.248 122.210 119.950 0.021 0.000 2.126 64 F HA -0.179 4.348 4.527 0.001 0.000 0.299 64 F C 1.764 177.520 175.800 -0.074 0.000 1.096 64 F CA 1.581 59.569 58.000 -0.021 0.000 1.255 64 F CB -0.315 38.661 39.000 -0.039 0.000 0.997 64 F HN 0.044 nan 8.300 nan 0.000 0.479 65 D N 0.213 120.545 120.400 -0.113 0.000 2.309 65 D HA -0.109 4.531 4.640 0.001 0.000 0.212 65 D C 1.610 177.758 176.300 -0.254 0.000 0.968 65 D CA 1.000 54.874 54.000 -0.210 0.000 0.882 65 D CB -0.224 40.538 40.800 -0.064 0.000 0.918 65 D HN 0.430 nan 8.370 nan 0.000 0.503 66 R N -0.071 120.261 120.500 -0.280 0.000 2.577 66 R HA 0.189 4.530 4.340 0.001 0.000 0.344 66 R C 1.277 177.387 176.300 -0.317 0.000 1.037 66 R CA -0.131 55.800 56.100 -0.281 0.000 1.102 66 R CB 0.593 30.721 30.300 -0.286 0.000 1.313 66 R HN 0.130 nan 8.270 nan 0.000 0.561 67 E N 0.959 120.953 120.200 -0.344 0.000 2.118 67 E HA -0.097 4.254 4.350 0.001 0.000 0.195 67 E C 0.252 176.696 176.600 -0.260 0.000 0.992 67 E CA 0.942 57.147 56.400 -0.325 0.000 0.804 67 E CB 0.213 29.727 29.700 -0.310 0.000 0.741 67 E HN 0.097 nan 8.360 nan 0.000 0.458 68 R N 1.308 121.696 120.500 -0.186 0.000 2.390 68 R HA 0.328 4.668 4.340 0.001 0.000 0.291 68 R C 0.461 176.757 176.300 -0.006 0.000 1.070 68 R CA -0.143 55.917 56.100 -0.066 0.000 1.014 68 R CB 0.462 30.718 30.300 -0.073 0.000 1.007 68 R HN 0.183 nan 8.270 nan 0.000 0.466 69 I N -0.605 120.017 120.570 0.087 0.000 2.846 69 I HA 0.592 4.763 4.170 0.001 0.000 0.307 69 I C -2.142 173.997 176.117 0.037 0.000 1.053 69 I CA -2.804 58.532 61.300 0.059 0.000 1.050 69 I CB 2.123 40.193 38.000 0.116 0.000 1.239 69 I HN 0.315 nan 8.210 nan 0.000 0.439 70 P HA 0.099 nan 4.420 nan 0.000 0.268 70 P C -0.846 176.475 177.300 0.036 0.000 1.205 70 P CA 0.047 63.154 63.100 0.011 0.000 0.771 70 P CB 0.556 32.252 31.700 -0.007 0.000 0.858 71 E N 2.752 122.987 120.200 0.058 0.000 2.371 71 E HA 0.214 4.565 4.350 0.001 0.000 0.257 71 E C -0.362 176.280 176.600 0.071 0.000 1.134 71 E CA -0.943 55.499 56.400 0.070 0.000 0.919 71 E CB 0.618 30.365 29.700 0.078 0.000 1.025 71 E HN 0.266 nan 8.360 nan 0.000 0.438 72 R N 0.851 121.398 120.500 0.080 0.000 2.583 72 R HA -0.056 4.285 4.340 0.001 0.000 0.274 72 R C 1.081 177.428 176.300 0.078 0.000 0.998 72 R CA 0.099 56.249 56.100 0.084 0.000 1.081 72 R CB 0.534 30.906 30.300 0.119 0.000 0.940 72 R HN 0.557 nan 8.270 nan 0.000 0.413 73 V N 3.947 123.896 119.914 0.058 0.000 2.469 73 V HA -0.140 3.980 4.120 0.001 0.000 0.251 73 V C 0.581 176.713 176.094 0.063 0.000 1.064 73 V CA 1.905 64.235 62.300 0.050 0.000 1.066 73 V CB 0.144 31.982 31.823 0.026 0.000 0.667 73 V HN 0.547 nan 8.190 nan 0.000 0.461 74 V N -4.463 115.524 119.914 0.120 0.000 3.114 74 V HA 0.583 4.704 4.120 0.001 0.000 0.308 74 V C 0.192 176.467 176.094 0.302 0.000 1.168 74 V CA -0.580 61.825 62.300 0.174 0.000 1.015 74 V CB 1.485 33.489 31.823 0.301 0.000 1.050 74 V HN 0.453 nan 8.190 nan 0.000 0.433 75 H N 0.393 119.520 119.070 0.095 0.000 2.903 75 H HA -0.222 4.334 4.556 0.001 0.000 0.285 75 H C 1.548 176.936 175.328 0.100 0.000 1.231 75 H CA 0.775 56.890 56.048 0.111 0.000 1.135 75 H CB -1.174 28.668 29.762 0.133 0.000 1.328 75 H HN 1.208 nan 8.280 nan 0.000 0.388 76 A N 0.607 123.521 122.820 0.158 0.000 1.933 76 A HA -0.116 4.205 4.320 0.001 0.000 0.218 76 A C 1.549 179.220 177.584 0.145 0.000 1.175 76 A CA 1.556 53.673 52.037 0.133 0.000 0.628 76 A CB -0.005 19.050 19.000 0.091 0.000 0.814 76 A HN 0.221 nan 8.150 nan 0.000 0.444 77 K N 0.239 120.719 120.400 0.133 0.000 2.267 77 K HA 0.513 4.833 4.320 0.001 0.000 0.282 77 K C -0.003 176.710 176.600 0.187 0.000 1.078 77 K CA 0.642 57.017 56.287 0.146 0.000 0.903 77 K CB 0.442 33.006 32.500 0.107 0.000 1.111 77 K HN 0.326 nan 8.250 nan 0.000 0.475 78 G N 1.258 110.196 108.800 0.230 0.000 2.663 78 G HA2 0.760 4.720 3.960 0.001 0.000 0.299 78 G HA3 0.760 4.720 3.960 0.001 0.000 0.299 78 G C -1.732 173.353 174.900 0.308 0.000 1.372 78 G CA -0.473 44.768 45.100 0.234 0.000 0.781 78 G HN 0.686 nan 8.290 nan 0.000 0.491 79 A N -1.383 121.576 122.820 0.232 0.000 2.475 79 A HA 0.967 5.287 4.320 0.001 0.000 0.301 79 A C -0.013 177.660 177.584 0.149 0.000 1.059 79 A CA 0.030 52.248 52.037 0.303 0.000 0.710 79 A CB 1.838 21.044 19.000 0.343 0.000 1.288 79 A HN 1.949 nan 8.150 nan 0.000 0.408 80 G N -0.764 108.123 108.800 0.144 0.000 2.569 80 G HA2 0.931 4.891 3.960 0.001 0.000 0.300 80 G HA3 0.931 4.891 3.960 0.001 0.000 0.300 80 G C -0.566 174.296 174.900 -0.064 0.000 1.269 80 G CA -0.091 44.961 45.100 -0.081 0.000 0.959 80 G HN 2.038 nan 8.290 nan 0.000 0.478 81 A N -0.655 121.933 122.820 -0.388 0.000 2.566 81 A HA 0.848 5.169 4.320 0.001 0.000 0.290 81 A C -1.993 175.149 177.584 -0.737 0.000 1.071 81 A CA -0.703 51.179 52.037 -0.258 0.000 0.658 81 A CB 0.907 19.919 19.000 0.019 0.000 1.285 81 A HN 0.809 nan 8.150 nan 0.000 0.427 82 F N -0.943 119.015 119.950 0.015 0.000 2.629 82 F HA 0.878 5.406 4.527 0.001 0.000 0.316 82 F C 0.903 176.693 175.800 -0.016 0.000 1.081 82 F CA 0.369 58.373 58.000 0.005 0.000 0.954 82 F CB 2.370 41.386 39.000 0.027 0.000 1.337 82 F HN 1.277 nan 8.300 nan 0.000 0.474 83 G N 0.047 108.951 108.800 0.173 0.000 2.586 83 G HA2 0.437 4.398 3.960 0.001 0.000 0.105 83 G HA3 0.437 4.398 3.960 0.001 0.000 0.105 83 G C -2.114 172.882 174.900 0.159 0.000 1.129 83 G CA -0.129 45.016 45.100 0.075 0.000 1.127 83 G HN 0.933 nan 8.290 nan 0.000 0.532 84 Y N -1.401 118.930 120.300 0.051 0.000 2.638 84 Y HA 0.827 5.377 4.550 0.001 0.000 0.335 84 Y C -1.727 174.231 175.900 0.097 0.000 1.155 84 Y CA -2.292 55.848 58.100 0.067 0.000 1.046 84 Y CB 1.561 40.051 38.460 0.050 0.000 1.303 84 Y HN 0.823 nan 8.280 nan 0.000 0.460 85 F N 2.020 122.086 119.950 0.193 0.000 2.482 85 F HA 0.630 5.157 4.527 0.001 0.000 0.331 85 F C -0.831 175.125 175.800 0.260 0.000 1.115 85 F CA -0.674 57.400 58.000 0.124 0.000 0.955 85 F CB 1.688 40.748 39.000 0.099 0.000 1.136 85 F HN 0.772 nan 8.300 nan 0.000 0.452 86 E N 5.380 125.249 120.200 -0.553 0.000 2.210 86 E HA 0.479 4.830 4.350 0.001 0.000 0.266 86 E C -1.602 174.564 176.600 -0.723 0.000 0.883 86 E CA -0.907 55.238 56.400 -0.424 0.000 0.761 86 E CB 2.080 31.775 29.700 -0.009 0.000 1.156 86 E HN 0.565 nan 8.360 nan 0.000 0.412 87 V N 3.989 123.622 119.914 -0.470 0.000 2.508 87 V HA 0.074 4.194 4.120 0.001 0.000 0.281 87 V C 1.250 177.306 176.094 -0.065 0.000 1.041 87 V CA 0.653 62.827 62.300 -0.211 0.000 1.016 87 V CB 1.045 32.859 31.823 -0.014 0.000 0.984 87 V HN 0.953 nan 8.190 nan 0.000 0.478 88 T N 0.460 115.042 114.554 0.047 0.000 2.969 88 T HA 0.253 4.603 4.350 0.001 0.000 0.250 88 T C 0.401 175.098 174.700 -0.005 0.000 1.021 88 T CA 0.138 62.279 62.100 0.068 0.000 1.003 88 T CB 0.123 69.092 68.868 0.169 0.000 1.040 88 T HN 0.641 nan 8.240 nan 0.000 0.492 89 H N 0.317 119.424 119.070 0.062 0.000 2.865 89 H HA 0.632 5.188 4.556 0.001 0.000 0.372 89 H C -1.459 173.924 175.328 0.092 0.000 1.173 89 H CA -1.013 55.081 56.048 0.077 0.000 1.147 89 H CB 1.462 31.276 29.762 0.087 0.000 1.805 89 H HN 0.017 nan 8.280 nan 0.000 0.553 90 D N 2.083 122.601 120.400 0.197 0.000 2.347 90 D HA 0.129 4.769 4.640 0.001 0.000 0.235 90 D C 0.339 176.722 176.300 0.138 0.000 1.149 90 D CA -0.225 53.861 54.000 0.142 0.000 0.850 90 D CB 0.547 41.401 40.800 0.090 0.000 1.061 90 D HN 0.647 nan 8.370 nan 0.000 0.487 91 I N 1.056 121.704 120.570 0.129 0.000 3.833 91 I HA 0.149 4.320 4.170 0.001 0.000 0.328 91 I C 1.418 177.589 176.117 0.090 0.000 1.554 91 I CA -0.478 60.913 61.300 0.152 0.000 1.116 91 I CB 0.343 38.444 38.000 0.168 0.000 1.182 91 I HN 0.108 nan 8.210 nan 0.000 0.459 92 T N -1.127 113.461 114.554 0.058 0.000 3.051 92 T HA -0.111 4.240 4.350 0.001 0.000 0.269 92 T C 1.613 176.293 174.700 -0.032 0.000 1.127 92 T CA 1.303 63.435 62.100 0.052 0.000 1.107 92 T CB -0.385 68.521 68.868 0.064 0.000 0.898 92 T HN 0.704 nan 8.240 nan 0.000 0.517 93 K N -0.131 120.170 120.400 -0.164 0.000 2.365 93 K HA -0.041 4.279 4.320 0.001 0.000 0.199 93 K C 1.348 177.755 176.600 -0.322 0.000 1.045 93 K CA 0.914 57.025 56.287 -0.294 0.000 0.962 93 K CB -0.402 31.821 32.500 -0.462 0.000 0.759 93 K HN 0.509 nan 8.250 nan 0.000 0.469 94 Y N 0.499 120.799 120.300 0.001 0.000 2.464 94 Y HA 0.181 4.731 4.550 0.001 0.000 0.288 94 Y C 1.104 177.001 175.900 -0.005 0.000 1.133 94 Y CA -0.385 57.708 58.100 -0.011 0.000 1.223 94 Y CB 0.958 39.414 38.460 -0.007 0.000 1.187 94 Y HN -0.028 nan 8.280 nan 0.000 0.539 95 S N 0.122 115.926 115.700 0.174 0.000 2.547 95 S HA 0.274 4.745 4.470 0.001 0.000 0.281 95 S C 0.058 174.741 174.600 0.139 0.000 1.118 95 S CA -0.898 57.393 58.200 0.152 0.000 0.947 95 S CB 1.120 64.453 63.200 0.223 0.000 1.053 95 S HN 0.368 nan 8.310 nan 0.000 0.482 96 K N 2.484 122.932 120.400 0.080 0.000 2.404 96 K HA 0.464 4.785 4.320 0.001 0.000 0.194 96 K C 0.621 177.233 176.600 0.020 0.000 1.023 96 K CA -0.025 56.292 56.287 0.050 0.000 1.094 96 K CB 0.084 32.594 32.500 0.018 0.000 0.841 96 K HN 0.501 nan 8.250 nan 0.000 0.523 97 A N 2.385 125.206 122.820 0.003 0.000 2.567 97 A HA -0.011 4.309 4.320 0.001 0.000 0.240 97 A C 0.721 178.197 177.584 -0.180 0.000 1.053 97 A CA -0.027 51.909 52.037 -0.168 0.000 0.755 97 A CB 0.220 18.991 19.000 -0.381 0.000 0.978 97 A HN 0.365 nan 8.150 nan 0.000 0.507 98 K N 2.052 122.341 120.400 -0.184 0.000 2.211 98 K HA -0.134 4.187 4.320 0.001 0.000 0.204 98 K C 1.655 178.140 176.600 -0.192 0.000 1.047 98 K CA 1.345 57.553 56.287 -0.133 0.000 0.935 98 K CB -0.231 32.209 32.500 -0.100 0.000 0.728 98 K HN 0.599 nan 8.250 nan 0.000 0.452 99 V N 0.669 120.343 119.914 -0.400 0.000 2.867 99 V HA -0.180 3.941 4.120 0.001 0.000 0.260 99 V C 0.707 176.593 176.094 -0.346 0.000 1.099 99 V CA 1.583 63.603 62.300 -0.466 0.000 1.122 99 V CB -0.277 31.072 31.823 -0.790 0.000 0.708 99 V HN 0.168 nan 8.190 nan 0.000 0.490 100 F N 0.198 120.141 119.950 -0.011 0.000 2.683 100 F HA 0.273 4.800 4.527 0.001 0.000 0.306 100 F C 1.875 177.687 175.800 0.019 0.000 1.102 100 F CA -0.108 57.924 58.000 0.053 0.000 1.244 100 F CB -0.496 38.544 39.000 0.067 0.000 1.029 100 F HN 0.350 nan 8.300 nan 0.000 0.545 101 E N 1.530 121.793 120.200 0.104 0.000 2.160 101 E HA -0.184 4.166 4.350 0.001 0.000 0.195 101 E C -0.096 176.607 176.600 0.172 0.000 0.991 101 E CA 1.728 58.198 56.400 0.116 0.000 0.810 101 E CB -0.480 29.286 29.700 0.110 0.000 0.742 101 E HN 0.593 nan 8.360 nan 0.000 0.466 102 H N -2.438 116.689 119.070 0.094 0.000 3.079 102 H HA 0.411 4.968 4.556 0.001 0.000 0.356 102 H C -0.911 174.452 175.328 0.058 0.000 1.221 102 H CA -1.020 55.066 56.048 0.064 0.000 1.185 102 H CB 0.318 30.100 29.762 0.033 0.000 1.882 102 H HN -0.036 nan 8.280 nan 0.000 0.543 103 I N 2.179 122.851 120.570 0.170 0.000 2.775 103 I HA 0.197 4.368 4.170 0.001 0.000 0.290 103 I C 1.382 177.574 176.117 0.125 0.000 1.203 103 I CA 1.744 63.097 61.300 0.088 0.000 1.433 103 I CB 0.446 38.474 38.000 0.047 0.000 1.354 103 I HN 1.147 nan 8.210 nan 0.000 0.579 104 G N 4.625 113.440 108.800 0.024 0.000 2.217 104 G HA2 -0.295 3.666 3.960 0.001 0.000 0.246 104 G HA3 -0.295 3.666 3.960 0.001 0.000 0.246 104 G C 0.459 175.344 174.900 -0.025 0.000 0.990 104 G CA -0.068 45.045 45.100 0.022 0.000 0.627 104 G HN 0.634 nan 8.290 nan 0.000 0.522 105 K N 1.476 121.768 120.400 -0.180 0.000 2.412 105 K HA 0.346 4.666 4.320 0.001 0.000 0.284 105 K C 0.159 176.676 176.600 -0.138 0.000 1.046 105 K CA 0.205 56.314 56.287 -0.297 0.000 0.999 105 K CB 0.130 32.216 32.500 -0.690 0.000 0.941 105 K HN 0.259 nan 8.250 nan 0.000 0.474 106 K N 2.829 123.186 120.400 -0.072 0.000 2.182 106 K HA 0.264 4.584 4.320 0.001 0.000 0.262 106 K C -0.911 175.728 176.600 0.066 0.000 0.957 106 K CA -0.667 55.606 56.287 -0.024 0.000 0.842 106 K CB 2.043 34.450 32.500 -0.155 0.000 1.099 106 K HN 0.487 nan 8.250 nan 0.000 0.438 107 T N 3.883 118.555 114.554 0.197 0.000 2.848 107 T HA 0.318 4.669 4.350 0.001 0.000 0.285 107 T C -2.673 172.181 174.700 0.258 0.000 0.995 107 T CA -1.773 60.455 62.100 0.213 0.000 0.970 107 T CB 1.827 70.860 68.868 0.274 0.000 0.976 107 T HN 0.242 nan 8.240 nan 0.000 0.441 108 P HA 0.318 nan 4.420 nan 0.000 0.268 108 P C -0.610 176.888 177.300 0.330 0.000 1.205 108 P CA -0.304 62.968 63.100 0.287 0.000 0.771 108 P CB 0.277 32.133 31.700 0.260 0.000 0.858 109 I N -0.943 119.764 120.570 0.229 0.000 2.934 109 I HA 0.910 5.080 4.170 0.001 0.000 0.306 109 I C -1.280 174.908 176.117 0.119 0.000 1.110 109 I CA -1.546 59.745 61.300 -0.015 0.000 1.019 109 I CB 2.667 40.430 38.000 -0.395 0.000 1.227 109 I HN 0.216 nan 8.210 nan 0.000 0.434 110 A N 4.101 126.883 122.820 -0.062 0.000 2.356 110 A HA 0.848 5.169 4.320 0.001 0.000 0.310 110 A C -1.054 176.348 177.584 -0.303 0.000 1.075 110 A CA -0.603 51.349 52.037 -0.142 0.000 0.746 110 A CB 1.706 20.766 19.000 0.100 0.000 1.221 110 A HN 0.575 nan 8.150 nan 0.000 0.443 111 V N 1.939 121.551 119.914 -0.504 0.000 2.789 111 V HA 0.690 4.810 4.120 0.001 0.000 0.311 111 V C -0.102 175.653 176.094 -0.566 0.000 1.073 111 V CA -0.681 61.301 62.300 -0.530 0.000 0.921 111 V CB 2.027 33.436 31.823 -0.690 0.000 1.009 111 V HN 0.967 nan 8.190 nan 0.000 0.426 112 R N 2.741 122.900 120.500 -0.567 0.000 2.532 112 R HA 0.647 4.987 4.340 0.001 0.000 0.297 112 R C -1.855 174.086 176.300 -0.598 0.000 0.984 112 R CA -0.405 55.438 56.100 -0.428 0.000 0.884 112 R CB 1.370 31.646 30.300 -0.040 0.000 1.182 112 R HN 0.576 nan 8.270 nan 0.000 0.442 113 F N 1.839 121.575 119.950 -0.357 0.000 2.440 113 F HA 0.605 5.133 4.527 0.001 0.000 0.328 113 F C 0.506 176.141 175.800 -0.275 0.000 1.070 113 F CA -0.197 57.508 58.000 -0.491 0.000 1.011 113 F CB 2.210 40.555 39.000 -1.091 0.000 1.226 113 F HN 0.672 nan 8.300 nan 0.000 0.491 114 S N -1.046 114.729 115.700 0.125 0.000 2.643 114 S HA 0.582 5.053 4.470 0.001 0.000 0.266 114 S C -0.703 174.041 174.600 0.239 0.000 1.130 114 S CA -0.745 57.584 58.200 0.214 0.000 0.817 114 S CB 1.207 64.564 63.200 0.261 0.000 1.107 114 S HN 0.740 nan 8.310 nan 0.000 0.471 115 T N -1.507 113.145 114.554 0.163 0.000 2.898 115 T HA 0.776 5.126 4.350 0.001 0.000 0.283 115 T C 0.789 175.407 174.700 -0.136 0.000 1.059 115 T CA 0.088 62.226 62.100 0.064 0.000 0.958 115 T CB 0.318 69.218 68.868 0.054 0.000 1.594 115 T HN 0.836 nan 8.240 nan 0.000 0.598 116 V N -0.449 119.348 119.914 -0.195 0.000 3.278 116 V HA 0.375 4.495 4.120 0.001 0.000 0.215 116 V C 2.775 178.745 176.094 -0.207 0.000 1.287 116 V CA 0.552 62.627 62.300 -0.376 0.000 1.302 116 V CB -0.917 30.729 31.823 -0.294 0.000 1.228 116 V HN 0.976 nan 8.190 nan 0.000 0.523 117 A N 0.765 123.480 122.820 -0.174 0.000 1.970 117 A HA 0.293 4.613 4.320 0.001 0.000 0.216 117 A C 1.574 179.085 177.584 -0.123 0.000 1.170 117 A CA 1.173 53.102 52.037 -0.181 0.000 0.645 117 A CB -0.949 17.914 19.000 -0.228 0.000 0.816 117 A HN 0.596 nan 8.150 nan 0.000 0.447 118 G N 0.092 108.842 108.800 -0.083 0.000 2.491 118 G HA2 0.425 4.386 3.960 0.001 0.000 0.242 118 G HA3 0.425 4.386 3.960 0.001 0.000 0.242 118 G C -0.281 174.607 174.900 -0.020 0.000 1.266 118 G CA -0.274 44.795 45.100 -0.050 0.000 0.844 118 G HN 0.433 nan 8.290 nan 0.000 0.571 119 E N -0.036 120.156 120.200 -0.014 0.000 2.385 119 E HA 0.386 4.737 4.350 0.001 0.000 0.254 119 E C 0.494 177.116 176.600 0.037 0.000 1.228 119 E CA -0.332 56.077 56.400 0.014 0.000 0.956 119 E CB 0.484 30.191 29.700 0.012 0.000 1.116 119 E HN 0.336 nan 8.360 nan 0.000 0.507 120 S N 0.113 115.845 115.700 0.054 0.000 2.533 120 S HA 0.384 4.854 4.470 0.001 0.000 0.282 120 S C 1.036 175.663 174.600 0.045 0.000 1.304 120 S CA 0.533 58.773 58.200 0.066 0.000 1.063 120 S CB 0.378 63.628 63.200 0.083 0.000 0.881 120 S HN 0.779 nan 8.310 nan 0.000 0.493 121 G N 2.305 111.128 108.800 0.039 0.000 2.284 121 G HA2 -0.287 3.674 3.960 0.001 0.000 0.216 121 G HA3 -0.287 3.674 3.960 0.001 0.000 0.216 121 G C 0.381 175.294 174.900 0.023 0.000 1.009 121 G CA 0.000 45.115 45.100 0.025 0.000 0.625 121 G HN 1.140 nan 8.290 nan 0.000 0.501 122 S N 0.834 116.549 115.700 0.024 0.000 2.598 122 S HA 0.667 5.138 4.470 0.001 0.000 0.256 122 S C 0.763 175.380 174.600 0.028 0.000 1.350 122 S CA 0.676 58.886 58.200 0.016 0.000 0.984 122 S CB 1.353 64.556 63.200 0.005 0.000 0.930 122 S HN 1.990 nan 8.310 nan 0.000 0.577 123 A N 0.489 123.321 122.820 0.021 0.000 2.340 123 A HA 0.397 4.717 4.320 0.001 0.000 0.268 123 A C 0.669 178.279 177.584 0.044 0.000 1.100 123 A CA -0.583 51.472 52.037 0.029 0.000 0.803 123 A CB -0.038 18.969 19.000 0.012 0.000 1.043 123 A HN 0.865 nan 8.150 nan 0.000 0.488 124 D N 0.539 120.979 120.400 0.066 0.000 2.137 124 D HA -0.048 4.593 4.640 0.001 0.000 0.202 124 D C 1.331 177.661 176.300 0.050 0.000 0.970 124 D CA 2.126 56.181 54.000 0.091 0.000 0.837 124 D CB -0.233 40.647 40.800 0.133 0.000 0.981 124 D HN 0.666 nan 8.370 nan 0.000 0.475 125 T N 0.091 114.647 114.554 0.003 0.000 4.058 125 T HA 0.382 4.732 4.350 0.001 0.000 0.252 125 T C 0.277 174.953 174.700 -0.040 0.000 1.264 125 T CA -0.594 61.474 62.100 -0.054 0.000 1.094 125 T CB -0.874 67.890 68.868 -0.173 0.000 1.316 125 T HN -0.066 nan 8.240 nan 0.000 0.872 126 V N -1.091 118.814 119.914 -0.016 0.000 3.040 126 V HA 0.650 4.770 4.120 0.001 0.000 0.312 126 V C 0.074 176.153 176.094 -0.025 0.000 1.115 126 V CA -1.938 60.350 62.300 -0.020 0.000 0.998 126 V CB 1.835 33.648 31.823 -0.018 0.000 1.042 126 V HN 0.551 nan 8.190 nan 0.000 0.433 127 R N 1.643 122.115 120.500 -0.046 0.000 2.449 127 R HA 0.471 4.812 4.340 0.001 0.000 0.296 127 R C -1.023 175.230 176.300 -0.080 0.000 1.047 127 R CA 0.632 56.682 56.100 -0.083 0.000 1.018 127 R CB -0.081 30.122 30.300 -0.161 0.000 0.962 127 R HN 1.012 nan 8.270 nan 0.000 0.428 128 D N 3.634 124.012 120.400 -0.036 0.000 2.951 128 D HA 0.162 4.802 4.640 0.001 0.000 0.262 128 D C -2.796 173.551 176.300 0.077 0.000 1.110 128 D CA -0.735 53.272 54.000 0.012 0.000 0.724 128 D CB 1.575 42.371 40.800 -0.006 0.000 1.516 128 D HN 0.227 nan 8.370 nan 0.000 0.447 129 P HA 0.355 nan 4.420 nan 0.000 0.275 129 P C -0.662 176.751 177.300 0.187 0.000 1.266 129 P CA -0.522 62.689 63.100 0.186 0.000 0.793 129 P CB 0.662 32.530 31.700 0.278 0.000 1.074 130 R N -0.599 120.043 120.500 0.235 0.000 2.670 130 R HA 0.554 4.895 4.340 0.001 0.000 0.289 130 R C 0.223 176.730 176.300 0.344 0.000 0.965 130 R CA -0.656 55.605 56.100 0.267 0.000 0.899 130 R CB 1.855 32.311 30.300 0.261 0.000 1.173 130 R HN 0.621 nan 8.270 nan 0.000 0.456 131 G N 1.137 110.167 108.800 0.384 0.000 2.395 131 G HA2 0.440 4.401 3.960 0.001 0.000 0.283 131 G HA3 0.440 4.401 3.960 0.001 0.000 0.283 131 G C -1.089 173.953 174.900 0.237 0.000 1.178 131 G CA -0.026 45.276 45.100 0.337 0.000 0.837 131 G HN 0.374 nan 8.290 nan 0.000 0.518 132 F N 2.509 122.432 119.950 -0.045 0.000 2.872 132 F HA 0.590 5.117 4.527 0.001 0.000 0.365 132 F C 0.164 175.758 175.800 -0.343 0.000 1.296 132 F CA -1.801 56.108 58.000 -0.151 0.000 1.199 132 F CB 0.637 39.652 39.000 0.025 0.000 1.687 132 F HN 0.647 nan 8.300 nan 0.000 0.604 133 A N 3.043 125.646 122.820 -0.361 0.000 2.301 133 A HA 0.770 5.090 4.320 0.001 0.000 0.298 133 A C -1.089 175.971 177.584 -0.874 0.000 1.185 133 A CA -0.411 51.118 52.037 -0.847 0.000 0.830 133 A CB 0.831 18.818 19.000 -1.689 0.000 1.112 133 A HN 0.306 nan 8.150 nan 0.000 0.508 134 V N 2.678 122.167 119.914 -0.709 0.000 2.487 134 V HA 0.446 4.566 4.120 0.001 0.000 0.298 134 V C -0.020 175.781 176.094 -0.489 0.000 1.028 134 V CA -0.748 61.159 62.300 -0.655 0.000 0.860 134 V CB 1.597 32.860 31.823 -0.933 0.000 0.991 134 V HN 0.913 nan 8.190 nan 0.000 0.427 135 K N 4.125 124.305 120.400 -0.366 0.000 2.339 135 K HA 0.588 4.909 4.320 0.001 0.000 0.264 135 K C -1.668 174.544 176.600 -0.646 0.000 0.986 135 K CA -0.472 55.586 56.287 -0.382 0.000 0.866 135 K CB 0.781 33.027 32.500 -0.423 0.000 1.103 135 K HN 0.486 nan 8.250 nan 0.000 0.441 136 F N 4.079 123.714 119.950 -0.525 0.000 2.404 136 F HA 0.267 4.794 4.527 0.001 0.000 0.354 136 F C -0.417 175.193 175.800 -0.316 0.000 1.122 136 F CA -0.676 57.108 58.000 -0.360 0.000 1.080 136 F CB 0.702 39.541 39.000 -0.268 0.000 1.131 136 F HN 0.406 nan 8.300 nan 0.000 0.471 137 Y N 1.717 122.021 120.300 0.007 0.000 2.632 137 Y HA 0.254 4.804 4.550 0.001 0.000 0.336 137 Y C 1.047 176.861 175.900 -0.143 0.000 1.237 137 Y CA -0.851 57.165 58.100 -0.140 0.000 1.595 137 Y CB -0.253 37.975 38.460 -0.388 0.000 1.508 137 Y HN 0.582 nan 8.280 nan 0.000 0.480 138 T N -2.536 112.032 114.554 0.024 0.000 2.862 138 T HA 0.201 4.552 4.350 0.001 0.000 0.276 138 T C 1.028 175.693 174.700 -0.058 0.000 0.974 138 T CA -0.656 61.426 62.100 -0.029 0.000 0.966 138 T CB 1.142 69.963 68.868 -0.077 0.000 1.072 138 T HN 0.509 nan 8.240 nan 0.000 0.538 139 E N -0.045 120.116 120.200 -0.063 0.000 2.204 139 E HA -0.018 4.333 4.350 0.001 0.000 0.194 139 E C 0.821 177.387 176.600 -0.058 0.000 0.989 139 E CA 0.839 57.204 56.400 -0.057 0.000 0.824 139 E CB -0.003 29.670 29.700 -0.044 0.000 0.756 139 E HN 0.566 nan 8.360 nan 0.000 0.477 140 D N 0.070 120.427 120.400 -0.071 0.000 2.460 140 D HA 0.232 4.873 4.640 0.001 0.000 0.229 140 D C 0.395 176.658 176.300 -0.061 0.000 1.170 140 D CA 0.613 54.571 54.000 -0.071 0.000 0.827 140 D CB 0.211 40.953 40.800 -0.096 0.000 0.973 140 D HN 0.180 nan 8.370 nan 0.000 0.496 141 G N 0.683 109.455 108.800 -0.048 0.000 2.631 141 G HA2 -0.220 3.741 3.960 0.001 0.000 0.504 141 G HA3 -0.220 3.741 3.960 0.001 0.000 0.504 141 G C -0.445 174.446 174.900 -0.014 0.000 1.306 141 G CA -1.042 44.041 45.100 -0.028 0.000 0.897 141 G HN 0.127 nan 8.290 nan 0.000 0.520 142 N N -0.484 118.216 118.700 -0.001 0.000 2.530 142 N HA 0.481 5.222 4.740 0.001 0.000 0.273 142 N C -0.708 174.844 175.510 0.070 0.000 1.173 142 N CA 0.007 53.052 53.050 -0.008 0.000 0.967 142 N CB 1.081 39.532 38.487 -0.060 0.000 1.109 142 N HN 0.662 nan 8.380 nan 0.000 0.453 143 W N 2.717 123.925 121.300 -0.153 0.000 2.475 143 W HA 0.350 5.010 4.660 0.001 0.000 0.320 143 W C -1.410 175.066 176.519 -0.072 0.000 1.022 143 W CA -0.928 56.308 57.345 -0.181 0.000 1.240 143 W CB 0.587 29.819 29.460 -0.380 0.000 1.328 143 W HN 0.323 nan 8.180 nan 0.000 0.439 144 D N 6.005 126.327 120.400 -0.130 0.000 2.349 144 D HA 0.194 4.834 4.640 0.001 0.000 0.232 144 D C -0.921 175.115 176.300 -0.439 0.000 1.071 144 D CA -0.381 53.484 54.000 -0.224 0.000 0.832 144 D CB 1.955 42.752 40.800 -0.004 0.000 1.086 144 D HN 0.324 nan 8.370 nan 0.000 0.504 145 L N 4.141 124.988 121.223 -0.626 0.000 2.321 145 L HA 0.213 4.553 4.340 0.001 0.000 0.272 145 L C -0.778 175.866 176.870 -0.376 0.000 1.050 145 L CA -0.672 53.824 54.840 -0.574 0.000 0.893 145 L CB 1.008 42.566 42.059 -0.835 0.000 1.272 145 L HN 0.078 nan 8.230 nan 0.000 0.435 146 V N 5.257 125.010 119.914 -0.268 0.000 2.229 146 V HA 0.481 4.601 4.120 0.001 0.000 0.245 146 V C 1.146 177.157 176.094 -0.139 0.000 1.243 146 V CA 0.027 62.150 62.300 -0.296 0.000 1.176 146 V CB -0.480 31.145 31.823 -0.328 0.000 1.323 146 V HN 0.775 nan 8.190 nan 0.000 0.499 147 G N 2.965 111.708 108.800 -0.096 0.000 2.552 147 G HA2 0.567 4.528 3.960 0.001 0.000 0.318 147 G HA3 0.567 4.528 3.960 0.001 0.000 0.318 147 G C -0.608 174.335 174.900 0.071 0.000 1.240 147 G CA -0.584 44.525 45.100 0.015 0.000 1.002 147 G HN 0.493 nan 8.290 nan 0.000 0.493 148 N N -1.714 117.050 118.700 0.108 0.000 2.577 148 N HA 0.182 4.923 4.740 0.001 0.000 0.285 148 N C 0.412 176.068 175.510 0.244 0.000 1.309 148 N CA -0.681 52.497 53.050 0.213 0.000 0.798 148 N CB 1.516 40.143 38.487 0.233 0.000 1.463 148 N HN 0.665 nan 8.380 nan 0.000 0.518 149 N N -1.854 117.021 118.700 0.292 0.000 2.362 149 N HA 0.017 4.758 4.740 0.001 0.000 0.211 149 N C -0.414 175.294 175.510 0.330 0.000 1.170 149 N CA -0.092 53.162 53.050 0.340 0.000 0.828 149 N CB 0.425 39.092 38.487 0.300 0.000 1.034 149 N HN 0.257 nan 8.380 nan 0.000 0.475 150 T N -0.064 114.585 114.554 0.158 0.000 2.909 150 T HA 0.327 4.677 4.350 0.001 0.000 0.299 150 T C -2.371 172.020 174.700 -0.514 0.000 1.073 150 T CA -2.015 59.967 62.100 -0.196 0.000 0.999 150 T CB 2.010 70.850 68.868 -0.048 0.000 1.098 150 T HN -0.121 nan 8.240 nan 0.000 0.477 151 P HA 0.208 nan 4.420 nan 0.000 0.245 151 P C 0.440 177.478 177.300 -0.438 0.000 1.206 151 P CA 0.217 62.868 63.100 -0.748 0.000 0.781 151 P CB -0.085 31.135 31.700 -0.801 0.000 0.994 152 I N -5.734 114.594 120.570 -0.404 0.000 3.457 152 I HA 0.675 4.846 4.170 0.001 0.000 0.307 152 I C -0.927 175.051 176.117 -0.232 0.000 1.138 152 I CA -1.640 59.434 61.300 -0.377 0.000 0.974 152 I CB 1.760 39.391 38.000 -0.615 0.000 1.324 152 I HN -0.296 nan 8.210 nan 0.000 0.485 153 F N -0.587 119.124 119.950 -0.399 0.000 2.692 153 F HA 0.497 5.025 4.527 0.001 0.000 0.320 153 F C -0.134 175.449 175.800 -0.361 0.000 1.123 153 F CA -0.732 57.079 58.000 -0.315 0.000 0.961 153 F CB 1.930 40.884 39.000 -0.076 0.000 1.383 153 F HN 0.394 nan 8.300 nan 0.000 0.483 154 F N 2.117 121.574 119.950 -0.821 0.000 2.325 154 F HA 0.091 4.619 4.527 0.001 0.000 0.299 154 F C 0.641 176.286 175.800 -0.257 0.000 1.090 154 F CA 0.742 58.375 58.000 -0.612 0.000 1.392 154 F CB -0.262 38.160 39.000 -0.963 0.000 1.053 154 F HN 0.108 nan 8.300 nan 0.000 0.521 155 I N -2.074 118.613 120.570 0.197 0.000 3.145 155 I HA 0.494 4.664 4.170 0.001 0.000 0.313 155 I C 0.618 176.869 176.117 0.223 0.000 1.122 155 I CA -1.140 60.291 61.300 0.218 0.000 0.987 155 I CB 2.312 40.496 38.000 0.305 0.000 1.236 155 I HN -0.082 nan 8.210 nan 0.000 0.453 156 R N -0.175 120.419 120.500 0.157 0.000 2.509 156 R HA 0.382 4.723 4.340 0.001 0.000 0.297 156 R C -0.575 175.799 176.300 0.123 0.000 0.951 156 R CA -0.282 55.893 56.100 0.125 0.000 1.103 156 R CB 0.487 30.835 30.300 0.081 0.000 1.283 156 R HN 0.706 nan 8.270 nan 0.000 0.534 157 D N 1.642 122.129 120.400 0.145 0.000 2.649 157 D HA 0.208 4.849 4.640 0.001 0.000 0.249 157 D C -1.867 174.528 176.300 0.159 0.000 1.112 157 D CA -2.273 51.803 54.000 0.127 0.000 0.850 157 D CB 2.698 43.566 40.800 0.114 0.000 1.399 157 D HN -0.175 nan 8.370 nan 0.000 0.503 158 P HA -0.085 nan 4.420 nan 0.000 0.220 158 P C 1.743 179.143 177.300 0.167 0.000 1.148 158 P CA 0.404 63.579 63.100 0.126 0.000 0.803 158 P CB 0.633 32.361 31.700 0.047 0.000 0.782 159 I N -1.094 119.554 120.570 0.130 0.000 2.916 159 I HA -0.148 4.023 4.170 0.001 0.000 0.267 159 I C 1.676 177.885 176.117 0.154 0.000 1.263 159 I CA 0.744 62.114 61.300 0.117 0.000 1.471 159 I CB -0.064 37.981 38.000 0.076 0.000 1.089 159 I HN -0.150 nan 8.210 nan 0.000 0.468 160 L N -1.100 120.254 121.223 0.219 0.000 2.585 160 L HA 0.023 4.364 4.340 0.001 0.000 0.226 160 L C 1.755 178.798 176.870 0.288 0.000 1.113 160 L CA 0.330 55.334 54.840 0.273 0.000 0.876 160 L CB -0.363 41.908 42.059 0.353 0.000 1.072 160 L HN 0.142 nan 8.230 nan 0.000 0.468 161 F N 1.978 122.022 119.950 0.157 0.000 2.095 161 F HA -0.153 4.375 4.527 0.001 0.000 0.298 161 F C -0.478 175.336 175.800 0.024 0.000 1.104 161 F CA 1.687 59.793 58.000 0.176 0.000 1.232 161 F CB -0.921 38.165 39.000 0.144 0.000 0.987 161 F HN 0.105 nan 8.300 nan 0.000 0.475 162 P HA -0.139 nan 4.420 nan 0.000 0.216 162 P C 1.785 178.707 177.300 -0.630 0.000 1.150 162 P CA 2.114 65.005 63.100 -0.347 0.000 0.837 162 P CB -0.033 31.525 31.700 -0.236 0.000 0.786 163 S N -1.238 114.241 115.700 -0.368 0.000 2.355 163 S HA -0.154 4.317 4.470 0.001 0.000 0.222 163 S C 1.638 175.848 174.600 -0.650 0.000 1.031 163 S CA 0.967 58.953 58.200 -0.357 0.000 0.993 163 S CB -1.240 61.913 63.200 -0.079 0.000 0.859 163 S HN 0.179 nan 8.310 nan 0.000 0.453 164 F N 2.453 121.837 119.950 -0.945 0.000 2.069 164 F HA -0.193 4.335 4.527 0.001 0.000 0.298 164 F C 1.906 177.190 175.800 -0.859 0.000 1.113 164 F CA 1.350 58.601 58.000 -1.249 0.000 1.214 164 F CB -0.168 38.409 39.000 -0.704 0.000 0.978 164 F HN 0.084 nan 8.300 nan 0.000 0.474 165 I N 0.586 120.515 120.570 -1.068 0.000 2.208 165 I HA -0.322 3.849 4.170 0.001 0.000 0.245 165 I C 2.401 178.168 176.117 -0.584 0.000 1.097 165 I CA 1.759 62.492 61.300 -0.946 0.000 1.363 165 I CB -1.885 35.681 38.000 -0.724 0.000 1.051 165 I HN 0.373 nan 8.210 nan 0.000 0.413 166 H N 0.506 119.250 119.070 -0.545 0.000 2.352 166 H HA -0.136 4.421 4.556 0.001 0.000 0.299 166 H C 2.451 177.520 175.328 -0.433 0.000 1.097 166 H CA 1.577 57.390 56.048 -0.391 0.000 1.311 166 H CB 0.210 29.804 29.762 -0.280 0.000 1.377 166 H HN 0.392 nan 8.280 nan 0.000 0.504 167 S N 0.415 115.853 115.700 -0.438 0.000 2.423 167 S HA -0.118 4.352 4.470 0.001 0.000 0.231 167 S C 1.850 176.119 174.600 -0.552 0.000 1.014 167 S CA 0.684 58.607 58.200 -0.463 0.000 0.965 167 S CB 0.079 62.959 63.200 -0.534 0.000 0.785 167 S HN 0.351 nan 8.310 nan 0.000 0.495 168 Q N 0.973 120.336 119.800 -0.729 0.000 2.389 168 Q HA 0.269 4.609 4.340 0.001 0.000 0.204 168 Q C 0.822 176.554 176.000 -0.448 0.000 0.944 168 Q CA 0.707 56.092 55.803 -0.696 0.000 0.908 168 Q CB 0.080 28.252 28.738 -0.944 0.000 1.002 168 Q HN 0.654 nan 8.270 nan 0.000 0.493 169 K N 0.169 120.342 120.400 -0.377 0.000 2.727 169 K HA 0.341 4.661 4.320 0.001 0.000 0.299 169 K C 0.152 176.610 176.600 -0.236 0.000 0.996 169 K CA -0.682 55.441 56.287 -0.274 0.000 1.212 169 K CB 0.519 32.880 32.500 -0.232 0.000 1.529 169 K HN -0.126 nan 8.250 nan 0.000 0.646 170 R N 1.293 121.657 120.500 -0.227 0.000 2.490 170 R HA 0.103 4.443 4.340 0.001 0.000 0.278 170 R C -0.176 176.031 176.300 -0.155 0.000 1.069 170 R CA -0.424 55.545 56.100 -0.218 0.000 1.080 170 R CB 0.353 30.442 30.300 -0.352 0.000 1.030 170 R HN 0.454 nan 8.270 nan 0.000 0.491 171 N N 2.876 121.508 118.700 -0.113 0.000 2.454 171 N HA -0.009 4.732 4.740 0.001 0.000 0.260 171 N C -1.441 174.043 175.510 -0.045 0.000 1.218 171 N CA -1.170 51.834 53.050 -0.076 0.000 0.904 171 N CB 0.772 39.230 38.487 -0.047 0.000 1.065 171 N HN 0.327 nan 8.380 nan 0.000 0.462 172 P HA -0.210 nan 4.420 nan 0.000 0.221 172 P C 0.525 177.813 177.300 -0.020 0.000 1.145 172 P CA 1.399 64.468 63.100 -0.053 0.000 0.795 172 P CB 0.302 31.951 31.700 -0.086 0.000 0.775 173 Q N 0.022 119.815 119.800 -0.012 0.000 2.387 173 Q HA -0.024 4.316 4.340 0.001 0.000 0.208 173 Q C 2.127 178.134 176.000 0.013 0.000 0.935 173 Q CA 1.412 57.212 55.803 -0.006 0.000 0.891 173 Q CB -0.167 28.565 28.738 -0.009 0.000 1.007 173 Q HN 0.189 nan 8.270 nan 0.000 0.548 174 T N -3.006 111.561 114.554 0.021 0.000 3.043 174 T HA -0.070 4.281 4.350 0.001 0.000 0.263 174 T C 0.363 175.125 174.700 0.104 0.000 1.094 174 T CA 0.992 63.115 62.100 0.037 0.000 1.127 174 T CB -0.182 68.695 68.868 0.015 0.000 0.905 174 T HN 0.607 nan 8.240 nan 0.000 0.490 175 H N -0.033 119.008 119.070 -0.049 0.000 2.903 175 H HA -0.099 4.458 4.556 0.001 0.000 0.285 175 H C -0.772 174.527 175.328 -0.048 0.000 1.231 175 H CA 0.407 56.423 56.048 -0.053 0.000 1.135 175 H CB -2.274 27.462 29.762 -0.043 0.000 1.328 175 H HN 0.571 nan 8.280 nan 0.000 0.388 176 L N 0.138 121.319 121.223 -0.071 0.000 2.319 176 L HA 0.439 4.780 4.340 0.001 0.000 0.267 176 L C 0.575 177.378 176.870 -0.112 0.000 1.011 176 L CA -1.394 53.390 54.840 -0.093 0.000 0.818 176 L CB 1.230 43.266 42.059 -0.039 0.000 1.316 176 L HN -0.106 nan 8.230 nan 0.000 0.432 177 K N 1.505 121.844 120.400 -0.102 0.000 2.448 177 K HA 0.085 4.406 4.320 0.001 0.000 0.278 177 K C -0.806 175.759 176.600 -0.058 0.000 1.009 177 K CA 0.153 56.386 56.287 -0.089 0.000 0.995 177 K CB 0.455 32.923 32.500 -0.052 0.000 0.917 177 K HN 0.439 nan 8.250 nan 0.000 0.481 178 D N 4.081 124.442 120.400 -0.066 0.000 2.440 178 D HA 0.171 4.811 4.640 0.001 0.000 0.252 178 D C -1.742 174.541 176.300 -0.027 0.000 1.180 178 D CA -1.996 51.976 54.000 -0.047 0.000 0.894 178 D CB 1.468 42.233 40.800 -0.059 0.000 1.111 178 D HN 0.096 nan 8.370 nan 0.000 0.544 179 P HA -0.099 nan 4.420 nan 0.000 0.222 179 P C 0.684 178.044 177.300 0.101 0.000 1.147 179 P CA 0.633 63.760 63.100 0.045 0.000 0.790 179 P CB 0.839 32.467 31.700 -0.120 0.000 0.780 180 D N -0.676 119.741 120.400 0.028 0.000 2.117 180 D HA -0.048 4.592 4.640 0.001 0.000 0.198 180 D C 2.172 178.488 176.300 0.027 0.000 0.982 180 D CA 1.087 55.102 54.000 0.025 0.000 0.828 180 D CB -0.602 40.203 40.800 0.009 0.000 0.967 180 D HN 0.126 nan 8.370 nan 0.000 0.464 181 M N -0.298 119.293 119.600 -0.015 0.000 2.086 181 M HA -0.145 4.335 4.480 0.001 0.000 0.261 181 M C 2.220 178.443 176.300 -0.127 0.000 1.067 181 M CA 0.848 56.113 55.300 -0.058 0.000 1.116 181 M CB -0.075 32.461 32.600 -0.108 0.000 1.348 181 M HN -0.092 nan 8.290 nan 0.000 0.407 182 V N -1.028 118.764 119.914 -0.204 0.000 2.233 182 V HA -0.286 3.835 4.120 0.001 0.000 0.247 182 V C 1.711 177.500 176.094 -0.509 0.000 1.050 182 V CA 2.114 64.107 62.300 -0.511 0.000 1.010 182 V CB -0.725 30.825 31.823 -0.455 0.000 0.637 182 V HN 0.590 nan 8.190 nan 0.000 0.444 183 W N -0.197 121.096 121.300 -0.011 0.000 2.584 183 W HA 0.001 4.661 4.660 0.001 0.000 0.264 183 W C 2.214 178.773 176.519 0.067 0.000 1.264 183 W CA 0.838 58.254 57.345 0.117 0.000 1.306 183 W CB -0.249 29.280 29.460 0.115 0.000 1.110 183 W HN 0.303 nan 8.180 nan 0.000 0.606 184 D N -0.210 120.298 120.400 0.180 0.000 2.117 184 D HA -0.232 4.409 4.640 0.001 0.000 0.198 184 D C 1.829 178.216 176.300 0.145 0.000 0.982 184 D CA 1.179 55.253 54.000 0.123 0.000 0.828 184 D CB -0.377 40.482 40.800 0.098 0.000 0.967 184 D HN 0.110 nan 8.370 nan 0.000 0.464 185 F N -0.425 119.519 119.950 -0.010 0.000 2.084 185 F HA -0.100 4.427 4.527 0.001 0.000 0.296 185 F C 1.835 177.703 175.800 0.113 0.000 1.111 185 F CA 1.269 59.265 58.000 -0.006 0.000 1.224 185 F CB -0.217 38.709 39.000 -0.125 0.000 0.991 185 F HN 0.011 nan 8.300 nan 0.000 0.471 186 W N 1.009 122.337 121.300 0.048 0.000 2.358 186 W HA -0.154 4.507 4.660 0.001 0.000 0.303 186 W C 3.062 179.536 176.519 -0.075 0.000 1.208 186 W CA 1.759 59.063 57.345 -0.068 0.000 1.274 186 W CB -1.676 27.696 29.460 -0.146 0.000 1.138 186 W HN 0.250 nan 8.180 nan 0.000 0.515 187 S N -0.381 115.479 115.700 0.266 0.000 2.406 187 S HA -0.110 4.360 4.470 0.001 0.000 0.228 187 S C 1.922 176.530 174.600 0.013 0.000 1.020 187 S CA 0.973 59.250 58.200 0.127 0.000 0.965 187 S CB -0.869 62.424 63.200 0.154 0.000 0.798 187 S HN 0.234 nan 8.310 nan 0.000 0.488 188 L N 0.091 121.301 121.223 -0.022 0.000 2.313 188 L HA 0.196 4.536 4.340 0.001 0.000 0.214 188 L C 0.899 177.678 176.870 -0.151 0.000 1.119 188 L CA 0.459 55.256 54.840 -0.072 0.000 0.809 188 L CB -0.054 41.964 42.059 -0.068 0.000 0.933 188 L HN 0.127 nan 8.230 nan 0.000 0.449 189 R N 0.537 120.893 120.500 -0.240 0.000 2.587 189 R HA 0.220 4.561 4.340 0.001 0.000 0.283 189 R C -1.935 174.269 176.300 -0.160 0.000 1.472 189 R CA -2.004 53.942 56.100 -0.256 0.000 1.578 189 R CB 0.112 30.108 30.300 -0.507 0.000 1.130 189 R HN -0.013 nan 8.270 nan 0.000 0.602 190 P HA -0.156 nan 4.420 nan 0.000 0.236 190 P C 0.739 177.952 177.300 -0.144 0.000 1.172 190 P CA 0.830 63.840 63.100 -0.150 0.000 0.759 190 P CB 0.384 31.999 31.700 -0.140 0.000 0.843 191 E N 0.851 120.983 120.200 -0.113 0.000 2.338 191 E HA -0.109 4.242 4.350 0.001 0.000 0.197 191 E C 1.511 178.035 176.600 -0.126 0.000 1.007 191 E CA 1.265 57.605 56.400 -0.100 0.000 0.849 191 E CB -0.941 28.726 29.700 -0.055 0.000 0.774 191 E HN 0.339 nan 8.360 nan 0.000 0.506 192 S N 0.877 116.495 115.700 -0.136 0.000 2.515 192 S HA -0.002 4.468 4.470 0.001 0.000 0.231 192 S C 2.105 176.528 174.600 -0.295 0.000 0.987 192 S CA 0.165 58.252 58.200 -0.188 0.000 0.936 192 S CB -0.638 62.472 63.200 -0.150 0.000 0.766 192 S HN 0.198 nan 8.310 nan 0.000 0.528 193 L N 0.834 121.910 121.223 -0.245 0.000 2.051 193 L HA -0.239 4.101 4.340 0.001 0.000 0.214 193 L C 2.857 179.661 176.870 -0.109 0.000 1.076 193 L CA 2.232 56.952 54.840 -0.199 0.000 0.758 193 L CB -0.781 41.168 42.059 -0.184 0.000 0.890 193 L HN 0.529 nan 8.230 nan 0.000 0.433 194 H N -0.957 117.918 119.070 -0.326 0.000 2.270 194 H HA -0.237 4.319 4.556 0.001 0.000 0.299 194 H C 2.380 177.248 175.328 -0.768 0.000 1.077 194 H CA 1.480 57.233 56.048 -0.492 0.000 1.294 194 H CB 0.328 29.765 29.762 -0.542 0.000 1.371 194 H HN 0.189 nan 8.280 nan 0.000 0.491 195 Q N 0.624 119.967 119.800 -0.762 0.000 2.224 195 Q HA -0.074 4.267 4.340 0.001 0.000 0.203 195 Q C 2.189 177.781 176.000 -0.681 0.000 0.970 195 Q CA 1.142 56.338 55.803 -1.012 0.000 0.865 195 Q CB -0.204 27.702 28.738 -1.387 0.000 0.922 195 Q HN 0.338 nan 8.270 nan 0.000 0.445 196 V N -0.056 119.593 119.914 -0.441 0.000 2.515 196 V HA -0.194 3.926 4.120 0.001 0.000 0.250 196 V C 2.103 178.334 176.094 0.228 0.000 1.058 196 V CA 1.819 64.029 62.300 -0.150 0.000 1.064 196 V CB -0.482 31.145 31.823 -0.328 0.000 0.675 196 V HN 0.333 nan 8.190 nan 0.000 0.461 197 S N -0.666 115.158 115.700 0.206 0.000 2.387 197 S HA -0.033 4.437 4.470 0.001 0.000 0.226 197 S C 1.775 176.654 174.600 0.464 0.000 1.026 197 S CA 1.254 59.733 58.200 0.465 0.000 0.972 197 S CB -0.319 63.212 63.200 0.552 0.000 0.814 197 S HN 0.585 nan 8.310 nan 0.000 0.477 198 F N 0.814 120.672 119.950 -0.154 0.000 2.113 198 F HA -0.082 4.446 4.527 0.001 0.000 0.297 198 F C 2.276 178.048 175.800 -0.047 0.000 1.103 198 F CA 0.338 58.206 58.000 -0.220 0.000 1.248 198 F CB -0.245 38.500 39.000 -0.425 0.000 0.999 198 F HN 0.189 nan 8.300 nan 0.000 0.475 199 L N -0.101 121.198 121.223 0.127 0.000 2.042 199 L HA -0.224 4.117 4.340 0.001 0.000 0.210 199 L C 1.520 178.353 176.870 -0.062 0.000 1.076 199 L CA 1.949 56.792 54.840 0.006 0.000 0.749 199 L CB -0.894 41.149 42.059 -0.026 0.000 0.893 199 L HN -0.004 nan 8.230 nan 0.000 0.432 200 F N -0.574 119.489 119.950 0.189 0.000 2.773 200 F HA 0.148 4.675 4.527 0.001 0.000 0.304 200 F C 1.609 177.519 175.800 0.183 0.000 1.129 200 F CA 0.207 58.325 58.000 0.197 0.000 1.378 200 F CB -0.495 38.647 39.000 0.236 0.000 1.095 200 F HN 0.177 nan 8.300 nan 0.000 0.565 201 S N -1.198 114.682 115.700 0.301 0.000 2.694 201 S HA 0.123 4.593 4.470 0.001 0.000 0.278 201 S C 1.165 175.851 174.600 0.143 0.000 1.152 201 S CA -0.722 57.623 58.200 0.241 0.000 1.010 201 S CB 0.734 64.119 63.200 0.309 0.000 1.104 201 S HN 0.074 nan 8.310 nan 0.000 0.547 202 D N 0.564 121.024 120.400 0.100 0.000 2.190 202 D HA -0.089 4.551 4.640 0.001 0.000 0.200 202 D C 1.667 177.999 176.300 0.053 0.000 0.992 202 D CA 1.172 55.209 54.000 0.062 0.000 0.854 202 D CB -0.257 40.565 40.800 0.036 0.000 0.936 202 D HN 0.526 nan 8.370 nan 0.000 0.462 203 R N 0.266 120.800 120.500 0.058 0.000 2.328 203 R HA 0.095 4.436 4.340 0.001 0.000 0.200 203 R C 1.980 178.310 176.300 0.049 0.000 0.983 203 R CA 0.288 56.417 56.100 0.048 0.000 1.062 203 R CB -0.093 30.223 30.300 0.028 0.000 0.956 203 R HN 0.092 nan 8.270 nan 0.000 0.479 204 G N 1.007 109.832 108.800 0.041 0.000 2.484 204 G HA2 -0.072 3.888 3.960 0.001 0.000 0.218 204 G HA3 -0.072 3.888 3.960 0.001 0.000 0.218 204 G C 0.783 175.689 174.900 0.011 0.000 1.130 204 G CA 0.305 45.411 45.100 0.010 0.000 0.784 204 G HN 0.182 nan 8.290 nan 0.000 0.543 205 I N 1.310 121.892 120.570 0.020 0.000 2.623 205 I HA 0.252 4.423 4.170 0.001 0.000 0.275 205 I C -2.724 173.408 176.117 0.024 0.000 1.108 205 I CA -1.990 59.317 61.300 0.013 0.000 1.120 205 I CB 2.424 40.418 38.000 -0.009 0.000 1.249 205 I HN -0.167 nan 8.210 nan 0.000 0.500 206 P HA 0.013 nan 4.420 nan 0.000 0.272 206 P C -0.393 176.943 177.300 0.061 0.000 1.223 206 P CA -0.190 62.952 63.100 0.070 0.000 0.784 206 P CB 0.698 32.458 31.700 0.100 0.000 0.923 207 D N 1.871 122.329 120.400 0.098 0.000 2.517 207 D HA 0.332 4.973 4.640 0.001 0.000 0.220 207 D C 0.763 177.203 176.300 0.234 0.000 1.158 207 D CA 0.720 54.810 54.000 0.150 0.000 0.992 207 D CB -1.106 39.758 40.800 0.107 0.000 1.058 207 D HN 0.576 nan 8.370 nan 0.000 0.516 208 G N 3.218 112.104 108.800 0.143 0.000 2.760 208 G HA2 -0.251 3.710 3.960 0.001 0.000 0.246 208 G HA3 -0.251 3.710 3.960 0.001 0.000 0.246 208 G C 0.661 175.415 174.900 -0.244 0.000 1.359 208 G CA -0.453 44.590 45.100 -0.096 0.000 0.861 208 G HN 0.560 nan 8.290 nan 0.000 0.541 209 H N 0.363 119.309 119.070 -0.208 0.000 2.525 209 H HA 0.088 4.645 4.556 0.001 0.000 0.275 209 H C 2.694 177.786 175.328 -0.393 0.000 0.984 209 H CA 1.200 56.932 56.048 -0.527 0.000 1.264 209 H CB 0.221 29.243 29.762 -1.233 0.000 1.432 209 H HN 0.516 nan 8.280 nan 0.000 0.549 210 R N 0.315 120.696 120.500 -0.199 0.000 2.276 210 R HA 0.005 4.346 4.340 0.001 0.000 0.203 210 R C 0.315 176.390 176.300 -0.374 0.000 1.017 210 R CA 0.513 56.452 56.100 -0.268 0.000 1.010 210 R CB 0.032 30.051 30.300 -0.468 0.000 0.900 210 R HN 0.430 nan 8.270 nan 0.000 0.469 211 H N 0.266 119.352 119.070 0.026 0.000 2.490 211 H HA 0.242 4.798 4.556 0.001 0.000 0.285 211 H C -0.083 175.309 175.328 0.107 0.000 1.127 211 H CA -0.470 55.600 56.048 0.037 0.000 0.993 211 H CB 0.173 29.944 29.762 0.015 0.000 1.653 211 H HN 0.093 nan 8.280 nan 0.000 0.557 212 M N -1.706 118.066 119.600 0.287 0.000 2.575 212 M HA 0.521 5.002 4.480 0.001 0.000 0.284 212 M C -1.396 175.190 176.300 0.477 0.000 1.253 212 M CA -1.190 54.297 55.300 0.312 0.000 0.861 212 M CB 2.202 34.959 32.600 0.262 0.000 1.733 212 M HN -0.186 nan 8.290 nan 0.000 0.462 213 N N 0.163 119.067 118.700 0.339 0.000 2.458 213 N HA 0.792 5.533 4.740 0.001 0.000 0.271 213 N C -0.636 174.895 175.510 0.034 0.000 1.210 213 N CA -0.125 53.044 53.050 0.198 0.000 0.978 213 N CB 1.653 40.087 38.487 -0.089 0.000 1.206 213 N HN 0.899 nan 8.380 nan 0.000 0.536 214 G N -0.521 107.899 108.800 -0.634 0.000 2.571 214 G HA2 0.676 4.637 3.960 0.001 0.000 0.304 214 G HA3 0.676 4.637 3.960 0.001 0.000 0.304 214 G C -1.820 171.993 174.900 -1.811 0.000 1.314 214 G CA -0.314 44.030 45.100 -1.259 0.000 0.975 214 G HN 0.410 nan 8.290 nan 0.000 0.485 215 Y N -0.529 119.198 120.300 -0.956 0.000 2.534 215 Y HA 0.490 5.040 4.550 0.001 0.000 0.345 215 Y C 1.146 176.882 175.900 -0.273 0.000 1.031 215 Y CA -0.523 57.212 58.100 -0.609 0.000 1.022 215 Y CB 2.551 40.742 38.460 -0.449 0.000 1.292 215 Y HN 0.641 nan 8.280 nan 0.000 0.459 216 G N -0.114 108.767 108.800 0.134 0.000 2.572 216 G HA2 0.124 4.085 3.960 0.001 0.000 0.216 216 G HA3 0.124 4.085 3.960 0.001 0.000 0.216 216 G C 0.867 175.873 174.900 0.177 0.000 1.133 216 G CA 0.901 46.191 45.100 0.317 0.000 0.791 216 G HN 0.717 nan 8.290 nan 0.000 0.538 217 S N -0.914 114.769 115.700 -0.029 0.000 1.577 217 S HA -0.236 4.234 4.470 0.001 0.000 0.240 217 S C 0.914 175.335 174.600 -0.297 0.000 0.755 217 S CA 1.317 59.369 58.200 -0.246 0.000 1.398 217 S CB -1.272 61.718 63.200 -0.350 0.000 1.552 217 S HN 0.680 nan 8.310 nan 0.000 0.510 218 H N 1.909 120.892 119.070 -0.145 0.000 2.745 218 H HA 0.291 4.847 4.556 0.001 0.000 0.373 218 H C 0.482 175.569 175.328 -0.401 0.000 1.226 218 H CA 0.952 56.790 56.048 -0.351 0.000 1.435 218 H CB 0.020 29.397 29.762 -0.642 0.000 1.461 218 H HN 0.368 nan 8.280 nan 0.000 0.616 219 T N 2.920 117.333 114.554 -0.235 0.000 2.817 219 T HA 0.297 4.648 4.350 0.001 0.000 0.293 219 T C 0.061 174.664 174.700 -0.161 0.000 0.964 219 T CA -0.132 61.862 62.100 -0.176 0.000 1.085 219 T CB -0.021 68.866 68.868 0.032 0.000 0.921 219 T HN 0.213 nan 8.240 nan 0.000 0.502 220 F N 1.312 121.330 119.950 0.113 0.000 2.671 220 F HA 0.637 5.164 4.527 0.001 0.000 0.373 220 F C 0.544 176.524 175.800 0.301 0.000 1.122 220 F CA -1.180 56.942 58.000 0.203 0.000 1.082 220 F CB 1.411 40.567 39.000 0.260 0.000 1.399 220 F HN 0.217 nan 8.300 nan 0.000 0.509 221 K N 1.390 122.094 120.400 0.507 0.000 2.397 221 K HA 0.626 4.946 4.320 0.001 0.000 0.253 221 K C -1.889 174.843 176.600 0.221 0.000 0.932 221 K CA -0.415 56.086 56.287 0.356 0.000 0.795 221 K CB 1.205 33.897 32.500 0.320 0.000 1.159 221 K HN 0.547 nan 8.250 nan 0.000 0.424 222 L N 4.243 125.546 121.223 0.133 0.000 2.322 222 L HA 0.548 4.889 4.340 0.001 0.000 0.281 222 L C -0.814 176.063 176.870 0.012 0.000 1.014 222 L CA -1.266 53.629 54.840 0.091 0.000 0.815 222 L CB 1.906 44.029 42.059 0.106 0.000 1.247 222 L HN 0.328 nan 8.230 nan 0.000 0.421 223 V N 2.116 122.033 119.914 0.005 0.000 2.540 223 V HA 0.385 4.506 4.120 0.001 0.000 0.302 223 V C -0.260 175.831 176.094 -0.004 0.000 1.035 223 V CA -0.843 61.429 62.300 -0.046 0.000 0.873 223 V CB 1.803 33.609 31.823 -0.028 0.000 0.992 223 V HN 0.896 nan 8.190 nan 0.000 0.428 224 N N 3.978 122.666 118.700 -0.020 0.000 2.491 224 N HA 0.517 5.257 4.740 0.001 0.000 0.279 224 N C 1.119 176.625 175.510 -0.005 0.000 1.236 224 N CA -0.128 52.921 53.050 -0.003 0.000 0.982 224 N CB 1.072 39.548 38.487 -0.019 0.000 1.194 224 N HN 0.544 nan 8.380 nan 0.000 0.582 225 A N 0.089 122.908 122.820 -0.003 0.000 1.927 225 A HA -0.242 4.078 4.320 0.001 0.000 0.220 225 A C 0.987 178.568 177.584 -0.004 0.000 1.185 225 A CA 1.602 53.639 52.037 -0.001 0.000 0.639 225 A CB -1.030 17.969 19.000 -0.001 0.000 0.820 225 A HN 0.807 nan 8.150 nan 0.000 0.451 226 N N -0.383 118.309 118.700 -0.013 0.000 2.389 226 N HA 0.231 4.972 4.740 0.001 0.000 0.237 226 N C 0.909 176.415 175.510 -0.005 0.000 1.148 226 N CA 0.730 53.774 53.050 -0.011 0.000 0.854 226 N CB 0.072 38.548 38.487 -0.018 0.000 1.115 226 N HN 0.664 nan 8.380 nan 0.000 0.492 227 G N 0.969 109.773 108.800 0.005 0.000 2.187 227 G HA2 -0.319 3.641 3.960 0.001 0.000 0.261 227 G HA3 -0.319 3.641 3.960 0.001 0.000 0.261 227 G C -0.238 174.669 174.900 0.012 0.000 1.000 227 G CA 0.240 45.361 45.100 0.035 0.000 0.718 227 G HN 0.528 nan 8.290 nan 0.000 0.519 228 E N 0.034 120.196 120.200 -0.063 0.000 2.301 228 E HA 0.653 5.004 4.350 0.001 0.000 0.275 228 E C 0.423 176.861 176.600 -0.270 0.000 1.030 228 E CA 0.132 56.442 56.400 -0.151 0.000 0.852 228 E CB 1.412 31.039 29.700 -0.122 0.000 1.060 228 E HN 0.634 nan 8.360 nan 0.000 0.401 229 A N 1.924 124.434 122.820 -0.517 0.000 2.413 229 A HA 0.763 5.084 4.320 0.001 0.000 0.307 229 A C -0.749 176.487 177.584 -0.579 0.000 1.087 229 A CA -0.679 50.994 52.037 -0.607 0.000 0.750 229 A CB 1.333 19.715 19.000 -1.031 0.000 1.296 229 A HN 0.438 nan 8.150 nan 0.000 0.423 230 V N -1.986 117.792 119.914 -0.227 0.000 3.188 230 V HA 0.775 4.896 4.120 0.001 0.000 0.305 230 V C -1.393 174.733 176.094 0.054 0.000 1.232 230 V CA -1.070 61.213 62.300 -0.029 0.000 1.043 230 V CB 1.114 32.971 31.823 0.057 0.000 1.068 230 V HN 0.788 nan 8.190 nan 0.000 0.439 231 Y N 1.050 121.556 120.300 0.344 0.000 2.403 231 Y HA 0.846 5.397 4.550 0.001 0.000 0.323 231 Y C 0.705 176.803 175.900 0.329 0.000 1.226 231 Y CA -0.082 58.218 58.100 0.334 0.000 1.235 231 Y CB 1.625 40.295 38.460 0.351 0.000 1.248 231 Y HN 1.269 nan 8.280 nan 0.000 0.489 232 C N 0.398 119.958 119.300 0.433 0.000 3.323 232 C HA 0.829 5.290 4.460 0.001 0.000 0.324 232 C C -1.659 173.181 174.990 -0.251 0.000 1.428 232 C CA -1.201 57.885 59.018 0.113 0.000 1.368 232 C CB 2.120 29.767 27.740 -0.155 0.000 1.731 232 C HN 0.738 nan 8.230 nan 0.000 0.455 233 K N 0.588 120.733 120.400 -0.425 0.000 2.464 233 K HA 0.638 4.958 4.320 0.001 0.000 0.253 233 K C -1.858 174.564 176.600 -0.297 0.000 0.933 233 K CA -0.083 55.959 56.287 -0.407 0.000 0.801 233 K CB 1.895 34.108 32.500 -0.478 0.000 1.271 233 K HN 0.717 nan 8.250 nan 0.000 0.430 234 F N 1.805 121.815 119.950 0.100 0.000 2.443 234 F HA 0.391 4.919 4.527 0.001 0.000 0.335 234 F C 0.716 176.478 175.800 -0.063 0.000 1.104 234 F CA -0.291 57.716 58.000 0.012 0.000 1.013 234 F CB 1.163 40.176 39.000 0.022 0.000 1.136 234 F HN 0.257 nan 8.300 nan 0.000 0.470 235 H N 2.944 121.994 119.070 -0.033 0.000 2.759 235 H HA 0.296 4.853 4.556 0.001 0.000 0.354 235 H C -1.542 173.774 175.328 -0.021 0.000 1.074 235 H CA -0.807 55.188 56.048 -0.088 0.000 1.226 235 H CB 2.164 31.926 29.762 -0.000 0.000 1.648 235 H HN 0.684 nan 8.280 nan 0.000 0.529 236 Y N 0.887 121.078 120.300 -0.181 0.000 2.488 236 Y HA 0.370 4.920 4.550 0.001 0.000 0.330 236 Y C -0.483 175.534 175.900 0.196 0.000 1.013 236 Y CA -1.350 56.766 58.100 0.026 0.000 1.304 236 Y CB 0.606 39.042 38.460 -0.040 0.000 1.098 236 Y HN 0.123 nan 8.280 nan 0.000 0.498 237 K N 1.977 122.626 120.400 0.415 0.000 2.298 237 K HA 0.146 4.466 4.320 0.001 0.000 0.280 237 K C 0.211 177.054 176.600 0.406 0.000 1.032 237 K CA -0.326 56.169 56.287 0.347 0.000 0.958 237 K CB 1.679 34.352 32.500 0.289 0.000 0.978 237 K HN 0.777 nan 8.250 nan 0.000 0.472 238 T N 1.887 116.617 114.554 0.293 0.000 2.867 238 T HA -0.002 4.349 4.350 0.001 0.000 0.297 238 T C 0.485 175.107 174.700 -0.129 0.000 0.989 238 T CA -0.238 61.782 62.100 -0.133 0.000 1.159 238 T CB 0.081 68.930 68.868 -0.032 0.000 0.928 238 T HN 0.292 nan 8.240 nan 0.000 0.538 239 D N 3.800 124.035 120.400 -0.275 0.000 2.347 239 D HA 0.018 4.659 4.640 0.001 0.000 0.213 239 D C 1.684 177.914 176.300 -0.116 0.000 0.985 239 D CA 0.679 54.604 54.000 -0.124 0.000 0.879 239 D CB 0.312 41.050 40.800 -0.104 0.000 0.919 239 D HN 0.607 nan 8.370 nan 0.000 0.526 240 Q N -0.007 119.682 119.800 -0.185 0.000 2.425 240 Q HA 0.337 4.677 4.340 0.001 0.000 0.204 240 Q C 0.764 176.834 176.000 0.118 0.000 0.933 240 Q CA 0.317 56.084 55.803 -0.059 0.000 0.939 240 Q CB 0.694 29.303 28.738 -0.214 0.000 1.044 240 Q HN 0.183 nan 8.270 nan 0.000 0.513 241 G N 0.439 109.284 108.800 0.074 0.000 2.705 241 G HA2 -0.170 3.791 3.960 0.001 0.000 0.686 241 G HA3 -0.170 3.791 3.960 0.001 0.000 0.686 241 G C -0.795 174.190 174.900 0.143 0.000 1.285 241 G CA -0.986 44.171 45.100 0.094 0.000 0.800 241 G HN 0.054 nan 8.290 nan 0.000 0.611 242 I N 1.779 122.404 120.570 0.093 0.000 2.533 242 I HA 0.352 4.522 4.170 0.001 0.000 0.284 242 I C 0.574 176.711 176.117 0.034 0.000 1.109 242 I CA 0.297 61.655 61.300 0.096 0.000 1.412 242 I CB 1.221 39.266 38.000 0.075 0.000 1.396 242 I HN 0.485 nan 8.210 nan 0.000 0.543 243 K N 6.366 126.790 120.400 0.039 0.000 2.581 243 K HA 0.397 4.717 4.320 0.001 0.000 0.249 243 K C -1.160 175.439 176.600 -0.001 0.000 0.966 243 K CA -0.566 55.673 56.287 -0.081 0.000 0.811 243 K CB 1.692 33.936 32.500 -0.426 0.000 1.223 243 K HN 0.517 nan 8.250 nan 0.000 0.438 244 N N 2.912 121.606 118.700 -0.010 0.000 2.471 244 N HA 0.532 5.273 4.740 0.001 0.000 0.288 244 N C -0.481 175.021 175.510 -0.013 0.000 1.220 244 N CA -0.619 52.435 53.050 0.008 0.000 0.893 244 N CB 1.374 39.870 38.487 0.015 0.000 1.256 244 N HN 0.370 nan 8.380 nan 0.000 0.534 245 L N 0.708 121.921 121.223 -0.018 0.000 2.329 245 L HA 0.359 4.699 4.340 0.001 0.000 0.279 245 L C 0.790 177.642 176.870 -0.030 0.000 1.014 245 L CA -0.727 54.087 54.840 -0.044 0.000 0.814 245 L CB 1.615 43.618 42.059 -0.093 0.000 1.257 245 L HN 0.630 nan 8.230 nan 0.000 0.424 246 S N 1.458 117.142 115.700 -0.028 0.000 2.589 246 S HA 0.126 4.597 4.470 0.001 0.000 0.265 246 S C 1.165 175.758 174.600 -0.011 0.000 1.342 246 S CA -0.848 57.346 58.200 -0.010 0.000 1.005 246 S CB 1.352 64.547 63.200 -0.008 0.000 0.909 246 S HN 0.345 nan 8.310 nan 0.000 0.555 247 V N 2.053 121.974 119.914 0.011 0.000 2.332 247 V HA -0.174 3.947 4.120 0.001 0.000 0.248 247 V C 2.541 178.637 176.094 0.004 0.000 1.055 247 V CA 2.405 64.715 62.300 0.017 0.000 1.038 247 V CB -1.374 30.476 31.823 0.046 0.000 0.651 247 V HN 0.892 nan 8.190 nan 0.000 0.450 248 E N 0.117 120.320 120.200 0.004 0.000 2.051 248 E HA -0.189 4.161 4.350 0.001 0.000 0.192 248 E C 1.986 178.573 176.600 -0.022 0.000 0.991 248 E CA 1.454 57.853 56.400 -0.002 0.000 0.799 248 E CB -0.367 29.334 29.700 0.003 0.000 0.748 248 E HN 0.543 nan 8.360 nan 0.000 0.449 249 D N 0.219 120.599 120.400 -0.035 0.000 2.144 249 D HA -0.074 4.567 4.640 0.001 0.000 0.200 249 D C 1.850 178.090 176.300 -0.101 0.000 0.978 249 D CA 1.319 55.282 54.000 -0.063 0.000 0.833 249 D CB -0.236 40.523 40.800 -0.068 0.000 0.961 249 D HN 0.203 nan 8.370 nan 0.000 0.470 250 A N 1.105 123.869 122.820 -0.092 0.000 1.902 250 A HA -0.029 4.292 4.320 0.001 0.000 0.217 250 A C 2.320 179.854 177.584 -0.083 0.000 1.181 250 A CA 2.019 53.988 52.037 -0.113 0.000 0.623 250 A CB -0.585 18.370 19.000 -0.074 0.000 0.818 250 A HN 0.230 nan 8.150 nan 0.000 0.443 251 A N -0.176 122.616 122.820 -0.047 0.000 1.877 251 A HA -0.161 4.160 4.320 0.001 0.000 0.216 251 A C 2.261 179.825 177.584 -0.033 0.000 1.186 251 A CA 1.751 53.770 52.037 -0.028 0.000 0.620 251 A CB -0.519 18.475 19.000 -0.009 0.000 0.822 251 A HN 0.565 nan 8.150 nan 0.000 0.443 252 R N -0.317 120.160 120.500 -0.039 0.000 2.073 252 R HA -0.068 4.273 4.340 0.001 0.000 0.234 252 R C 1.956 178.230 176.300 -0.044 0.000 1.134 252 R CA 1.647 57.727 56.100 -0.034 0.000 0.952 252 R CB -0.421 29.860 30.300 -0.031 0.000 0.850 252 R HN 0.504 nan 8.270 nan 0.000 0.433 253 L N 0.955 122.126 121.223 -0.088 0.000 2.131 253 L HA -0.136 4.205 4.340 0.001 0.000 0.210 253 L C 2.604 179.438 176.870 -0.061 0.000 1.092 253 L CA 1.447 56.221 54.840 -0.110 0.000 0.759 253 L CB -0.403 41.474 42.059 -0.302 0.000 0.903 253 L HN 0.393 nan 8.230 nan 0.000 0.435 254 S N -1.053 114.613 115.700 -0.057 0.000 2.442 254 S HA -0.241 4.230 4.470 0.001 0.000 0.236 254 S C 1.882 176.478 174.600 -0.006 0.000 1.007 254 S CA 1.112 59.297 58.200 -0.025 0.000 0.965 254 S CB -0.169 63.017 63.200 -0.023 0.000 0.773 254 S HN 0.515 nan 8.310 nan 0.000 0.504 255 Q N 0.973 120.768 119.800 -0.008 0.000 2.304 255 Q HA 0.080 4.421 4.340 0.001 0.000 0.204 255 Q C 1.811 177.815 176.000 0.008 0.000 0.936 255 Q CA 0.889 56.692 55.803 0.001 0.000 0.878 255 Q CB -0.151 28.586 28.738 -0.001 0.000 0.983 255 Q HN 0.749 nan 8.270 nan 0.000 0.516 256 E N 0.403 120.608 120.200 0.008 0.000 2.106 256 E HA -0.101 4.250 4.350 0.001 0.000 0.192 256 E C -0.124 176.499 176.600 0.038 0.000 0.984 256 E CA 0.913 57.326 56.400 0.021 0.000 0.806 256 E CB 0.313 30.026 29.700 0.022 0.000 0.750 256 E HN 0.118 nan 8.360 nan 0.000 0.458 257 D N -1.460 118.971 120.400 0.052 0.000 2.337 257 D HA 0.124 4.764 4.640 0.001 0.000 0.238 257 D C -2.368 173.986 176.300 0.090 0.000 1.331 257 D CA -1.824 52.225 54.000 0.082 0.000 0.967 257 D CB 1.194 42.082 40.800 0.147 0.000 1.382 257 D HN -0.255 nan 8.370 nan 0.000 0.549 258 P HA 0.011 nan 4.420 nan 0.000 0.222 258 P C 0.037 177.383 177.300 0.076 0.000 1.147 258 P CA 0.788 63.919 63.100 0.052 0.000 0.790 258 P CB 0.356 32.074 31.700 0.031 0.000 0.780 259 D N -2.435 118.012 120.400 0.078 0.000 2.615 259 D HA 0.039 4.679 4.640 0.001 0.000 0.236 259 D C 1.101 177.463 176.300 0.103 0.000 1.233 259 D CA -0.394 53.651 54.000 0.075 0.000 0.829 259 D CB -0.570 40.240 40.800 0.017 0.000 1.024 259 D HN 0.184 nan 8.370 nan 0.000 0.490 260 Y N 1.928 122.229 120.300 0.001 0.000 2.081 260 Y HA -0.264 4.287 4.550 0.001 0.000 0.280 260 Y C 2.339 178.224 175.900 -0.026 0.000 1.163 260 Y CA 2.335 60.428 58.100 -0.011 0.000 1.135 260 Y CB -0.182 38.264 38.460 -0.023 0.000 0.970 260 Y HN 0.115 nan 8.280 nan 0.000 0.498 261 G N 0.163 109.008 108.800 0.074 0.000 2.418 261 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 261 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 261 G C 1.690 176.611 174.900 0.035 0.000 1.158 261 G CA 1.295 46.308 45.100 -0.145 0.000 0.771 261 G HN 0.514 nan 8.290 nan 0.000 0.545 262 I N 0.034 120.690 120.570 0.143 0.000 2.142 262 I HA -0.173 3.997 4.170 0.001 0.000 0.240 262 I C 2.845 179.038 176.117 0.127 0.000 1.078 262 I CA 1.403 62.811 61.300 0.180 0.000 1.343 262 I CB -0.289 37.779 38.000 0.114 0.000 1.046 262 I HN 0.117 nan 8.210 nan 0.000 0.405 263 R N 1.016 121.530 120.500 0.023 0.000 2.083 263 R HA -0.264 4.077 4.340 0.001 0.000 0.237 263 R C 1.999 178.300 176.300 0.001 0.000 1.137 263 R CA 2.493 58.595 56.100 0.003 0.000 0.951 263 R CB -0.383 29.880 30.300 -0.063 0.000 0.851 263 R HN 0.390 nan 8.270 nan 0.000 0.434 264 D N -0.167 120.138 120.400 -0.159 0.000 2.104 264 D HA -0.216 4.424 4.640 0.001 0.000 0.194 264 D C 1.947 178.232 176.300 -0.025 0.000 0.994 264 D CA 1.272 55.160 54.000 -0.186 0.000 0.830 264 D CB -0.039 40.526 40.800 -0.391 0.000 0.959 264 D HN 0.220 nan 8.370 nan 0.000 0.452 265 L N -0.631 120.624 121.223 0.053 0.000 2.056 265 L HA 0.012 4.352 4.340 0.001 0.000 0.207 265 L C 1.955 178.932 176.870 0.178 0.000 1.078 265 L CA 1.475 56.395 54.840 0.133 0.000 0.749 265 L CB -0.888 41.311 42.059 0.234 0.000 0.901 265 L HN 0.180 nan 8.230 nan 0.000 0.433 266 F N 0.447 120.454 119.950 0.094 0.000 2.075 266 F HA -0.246 4.281 4.527 0.001 0.000 0.297 266 F C 2.324 178.180 175.800 0.094 0.000 1.113 266 F CA 1.944 60.011 58.000 0.112 0.000 1.218 266 F CB -0.361 38.701 39.000 0.103 0.000 0.984 266 F HN 0.221 nan 8.300 nan 0.000 0.472 267 N N 0.755 119.626 118.700 0.285 0.000 2.166 267 N HA -0.156 4.584 4.740 0.001 0.000 0.186 267 N C 1.986 177.526 175.510 0.050 0.000 1.019 267 N CA 1.360 54.510 53.050 0.168 0.000 0.856 267 N CB -0.875 37.693 38.487 0.135 0.000 0.993 267 N HN 0.423 nan 8.380 nan 0.000 0.426 268 A N 1.428 124.270 122.820 0.036 0.000 1.865 268 A HA -0.098 4.222 4.320 0.001 0.000 0.217 268 A C 2.344 179.937 177.584 0.015 0.000 1.191 268 A CA 1.099 53.141 52.037 0.009 0.000 0.623 268 A CB -0.744 18.260 19.000 0.007 0.000 0.826 268 A HN 0.218 nan 8.150 nan 0.000 0.444 269 I N -0.400 120.199 120.570 0.049 0.000 2.252 269 I HA -0.242 3.929 4.170 0.001 0.000 0.245 269 I C 2.944 179.100 176.117 0.065 0.000 1.102 269 I CA 0.936 62.320 61.300 0.140 0.000 1.385 269 I CB -0.340 37.712 38.000 0.088 0.000 1.064 269 I HN 0.367 nan 8.210 nan 0.000 0.414 270 A N 0.594 123.355 122.820 -0.099 0.000 1.972 270 A HA -0.207 4.114 4.320 0.001 0.000 0.219 270 A C 2.182 179.762 177.584 -0.007 0.000 1.169 270 A CA 2.250 54.236 52.037 -0.086 0.000 0.635 270 A CB -1.027 17.909 19.000 -0.107 0.000 0.810 270 A HN 0.522 nan 8.150 nan 0.000 0.446 271 T N -4.584 109.957 114.554 -0.022 0.000 3.206 271 T HA 0.436 4.787 4.350 0.001 0.000 0.253 271 T C 1.260 175.877 174.700 -0.139 0.000 1.042 271 T CA 0.932 63.006 62.100 -0.044 0.000 0.931 271 T CB 0.005 68.860 68.868 -0.022 0.000 1.029 271 T HN 1.661 nan 8.240 nan 0.000 0.564 272 G N 1.952 110.605 108.800 -0.244 0.000 2.179 272 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 272 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 272 G C 0.259 174.667 174.900 -0.820 0.000 0.977 272 G CA 0.090 44.788 45.100 -0.669 0.000 0.641 272 G HN 0.594 nan 8.290 nan 0.000 0.533 273 K N 1.163 121.334 120.400 -0.381 0.000 2.449 273 K HA 0.274 4.595 4.320 0.001 0.000 0.237 273 K C -0.143 176.394 176.600 -0.106 0.000 1.265 273 K CA -0.340 55.812 56.287 -0.224 0.000 1.193 273 K CB -0.330 32.106 32.500 -0.106 0.000 1.515 273 K HN 0.546 nan 8.250 nan 0.000 0.259 274 Y N 3.000 123.294 120.300 -0.011 0.000 2.677 274 Y HA 0.000 4.551 4.550 0.001 0.000 0.335 274 Y C -1.389 174.489 175.900 -0.037 0.000 1.162 274 Y CA -2.186 55.912 58.100 -0.003 0.000 1.483 274 Y CB -0.199 38.270 38.460 0.016 0.000 1.209 274 Y HN 0.332 nan 8.280 nan 0.000 0.528 275 P HA 0.112 nan 4.420 nan 0.000 0.275 275 P C -0.793 176.460 177.300 -0.078 0.000 1.228 275 P CA -0.262 62.774 63.100 -0.107 0.000 0.786 275 P CB 1.694 33.324 31.700 -0.118 0.000 0.927 276 S N 1.389 116.899 115.700 -0.316 0.000 2.627 276 S HA 0.727 5.198 4.470 0.001 0.000 0.283 276 S C -1.496 172.969 174.600 -0.226 0.000 1.127 276 S CA -0.786 57.386 58.200 -0.047 0.000 0.863 276 S CB 1.697 64.912 63.200 0.026 0.000 1.121 276 S HN 0.545 nan 8.310 nan 0.000 0.479 277 W N 0.577 121.994 121.300 0.195 0.000 2.998 277 W HA 0.383 5.044 4.660 0.001 0.000 0.335 277 W C -0.995 175.667 176.519 0.237 0.000 1.110 277 W CA -0.662 56.837 57.345 0.256 0.000 1.230 277 W CB 2.471 32.158 29.460 0.378 0.000 1.405 277 W HN 0.610 nan 8.180 nan 0.000 0.493 278 T N 3.176 117.970 114.554 0.400 0.000 2.749 278 T HA 0.198 4.548 4.350 0.001 0.000 0.295 278 T C -0.630 174.232 174.700 0.270 0.000 0.936 278 T CA -0.054 62.182 62.100 0.227 0.000 1.060 278 T CB 0.314 69.234 68.868 0.086 0.000 0.904 278 T HN 0.143 nan 8.240 nan 0.000 0.500 279 F N 4.596 124.612 119.950 0.110 0.000 2.424 279 F HA 0.492 5.019 4.527 0.001 0.000 0.356 279 F C -0.649 175.183 175.800 0.052 0.000 1.110 279 F CA -0.460 57.681 58.000 0.235 0.000 1.161 279 F CB 0.262 39.511 39.000 0.415 0.000 1.115 279 F HN 0.536 nan 8.300 nan 0.000 0.507 280 Y N 5.368 125.668 120.300 -0.001 0.000 2.662 280 Y HA 0.701 5.252 4.550 0.001 0.000 0.335 280 Y C -0.236 175.643 175.900 -0.035 0.000 1.066 280 Y CA -1.289 56.828 58.100 0.028 0.000 1.116 280 Y CB 1.691 40.146 38.460 -0.008 0.000 1.308 280 Y HN 0.447 nan 8.280 nan 0.000 0.502 281 I N -1.490 119.193 120.570 0.190 0.000 2.913 281 I HA 0.609 4.779 4.170 0.001 0.000 0.302 281 I C -1.725 174.406 176.117 0.024 0.000 1.246 281 I CA -1.120 60.209 61.300 0.048 0.000 1.010 281 I CB 2.586 40.556 38.000 -0.050 0.000 1.259 281 I HN 0.497 nan 8.210 nan 0.000 0.434 282 Q N 2.597 122.413 119.800 0.027 0.000 2.309 282 Q HA 0.741 5.081 4.340 0.001 0.000 0.264 282 Q C -1.417 174.727 176.000 0.240 0.000 1.008 282 Q CA -1.042 54.863 55.803 0.171 0.000 0.853 282 Q CB 3.335 32.264 28.738 0.318 0.000 1.314 282 Q HN 0.586 nan 8.270 nan 0.000 0.448 283 V N 3.049 123.090 119.914 0.212 0.000 2.540 283 V HA 0.528 4.649 4.120 0.001 0.000 0.302 283 V C -0.601 175.587 176.094 0.156 0.000 1.035 283 V CA -0.652 61.712 62.300 0.106 0.000 0.873 283 V CB 1.831 33.485 31.823 -0.282 0.000 0.992 283 V HN 0.771 nan 8.190 nan 0.000 0.428 284 M N 4.834 124.465 119.600 0.051 0.000 2.204 284 M HA 0.475 4.956 4.480 0.001 0.000 0.293 284 M C 0.082 176.446 176.300 0.106 0.000 0.994 284 M CA -0.316 54.917 55.300 -0.110 0.000 0.925 284 M CB 2.030 34.072 32.600 -0.929 0.000 1.577 284 M HN 0.892 nan 8.290 nan 0.000 0.439 285 T N 1.047 115.683 114.554 0.138 0.000 2.813 285 T HA 0.245 4.595 4.350 0.001 0.000 0.297 285 T C 0.801 175.705 174.700 0.340 0.000 1.036 285 T CA -0.330 61.889 62.100 0.198 0.000 1.044 285 T CB 0.457 69.402 68.868 0.128 0.000 0.993 285 T HN 0.530 nan 8.240 nan 0.000 0.535 286 F N 1.149 121.113 119.950 0.024 0.000 2.216 286 F HA -0.016 4.512 4.527 0.001 0.000 0.300 286 F C 2.363 178.218 175.800 0.091 0.000 1.085 286 F CA 0.686 58.743 58.000 0.094 0.000 1.326 286 F CB -1.198 37.825 39.000 0.037 0.000 1.027 286 F HN 0.535 nan 8.300 nan 0.000 0.497 287 N N 0.134 118.976 118.700 0.237 0.000 2.171 287 N HA -0.141 4.600 4.740 0.001 0.000 0.184 287 N C 1.799 177.367 175.510 0.097 0.000 1.021 287 N CA 0.984 54.115 53.050 0.135 0.000 0.854 287 N CB -0.565 37.979 38.487 0.094 0.000 0.994 287 N HN 0.405 nan 8.380 nan 0.000 0.426 288 Q N 0.345 120.204 119.800 0.098 0.000 2.226 288 Q HA 0.070 4.411 4.340 0.001 0.000 0.204 288 Q C 1.899 177.916 176.000 0.028 0.000 0.975 288 Q CA 1.149 57.000 55.803 0.080 0.000 0.866 288 Q CB -0.077 28.731 28.738 0.117 0.000 0.915 288 Q HN 0.364 nan 8.270 nan 0.000 0.440 289 A N 1.018 123.835 122.820 -0.006 0.000 2.015 289 A HA -0.174 4.146 4.320 0.001 0.000 0.219 289 A C 1.817 179.366 177.584 -0.059 0.000 1.163 289 A CA 1.079 53.038 52.037 -0.129 0.000 0.646 289 A CB -0.076 18.888 19.000 -0.060 0.000 0.806 289 A HN 0.167 nan 8.150 nan 0.000 0.448 290 E N -0.443 119.766 120.200 0.016 0.000 2.112 290 E HA -0.091 4.259 4.350 0.001 0.000 0.190 290 E C 2.207 178.818 176.600 0.019 0.000 0.979 290 E CA 1.692 58.104 56.400 0.020 0.000 0.814 290 E CB -0.618 29.105 29.700 0.039 0.000 0.762 290 E HN 0.791 nan 8.360 nan 0.000 0.460 291 T N -1.722 112.853 114.554 0.035 0.000 3.067 291 T HA 0.025 4.375 4.350 0.001 0.000 0.257 291 T C 0.852 175.570 174.700 0.030 0.000 1.105 291 T CA -0.398 61.714 62.100 0.021 0.000 1.104 291 T CB -0.520 68.360 68.868 0.021 0.000 0.925 291 T HN -0.024 nan 8.240 nan 0.000 0.498 292 F N 3.404 123.286 119.950 -0.114 0.000 2.629 292 F HA 0.173 4.700 4.527 0.001 0.000 0.377 292 F C -1.264 174.423 175.800 -0.188 0.000 1.101 292 F CA -1.888 56.029 58.000 -0.139 0.000 1.301 292 F CB 0.896 39.771 39.000 -0.207 0.000 1.062 292 F HN 0.006 nan 8.300 nan 0.000 0.583 293 P HA -0.112 nan 4.420 nan 0.000 0.218 293 P C -0.587 176.123 177.300 -0.984 0.000 1.148 293 P CA 1.508 64.044 63.100 -0.940 0.000 0.822 293 P CB 0.088 31.012 31.700 -1.294 0.000 0.784 294 F N -2.362 117.335 119.950 -0.421 0.000 2.790 294 F HA 0.299 4.827 4.527 0.001 0.000 0.386 294 F C 0.783 176.663 175.800 0.134 0.000 1.206 294 F CA -1.452 56.490 58.000 -0.096 0.000 1.109 294 F CB -0.163 38.801 39.000 -0.060 0.000 1.469 294 F HN -0.413 nan 8.300 nan 0.000 0.513 295 N N 3.188 122.091 118.700 0.338 0.000 2.420 295 N HA 0.146 4.887 4.740 0.001 0.000 0.262 295 N C -1.870 173.701 175.510 0.101 0.000 1.144 295 N CA -1.540 51.600 53.050 0.150 0.000 0.952 295 N CB 1.060 39.618 38.487 0.119 0.000 1.081 295 N HN 0.175 nan 8.380 nan 0.000 0.480 296 P HA -0.101 nan 4.420 nan 0.000 0.228 296 P C -0.046 176.965 177.300 -0.483 0.000 1.151 296 P CA 0.964 63.723 63.100 -0.567 0.000 0.770 296 P CB -0.021 31.036 31.700 -1.071 0.000 0.786 297 F N -0.513 119.408 119.950 -0.049 0.000 2.641 297 F HA 0.257 4.784 4.527 0.001 0.000 0.302 297 F C 0.782 176.562 175.800 -0.032 0.000 1.098 297 F CA -1.252 56.693 58.000 -0.091 0.000 1.318 297 F CB -0.608 38.310 39.000 -0.138 0.000 1.035 297 F HN -0.160 nan 8.300 nan 0.000 0.551 298 D N 1.363 121.824 120.400 0.102 0.000 2.316 298 D HA 0.084 4.724 4.640 0.001 0.000 0.245 298 D C 1.239 177.557 176.300 0.031 0.000 1.171 298 D CA 0.115 54.164 54.000 0.081 0.000 0.856 298 D CB 0.963 41.812 40.800 0.082 0.000 1.090 298 D HN 0.193 nan 8.370 nan 0.000 0.476 299 L N 3.094 124.335 121.223 0.030 0.000 2.353 299 L HA -0.143 4.198 4.340 0.001 0.000 0.220 299 L C 1.780 178.600 176.870 -0.083 0.000 1.133 299 L CA 1.379 56.203 54.840 -0.027 0.000 0.798 299 L CB -0.188 41.884 42.059 0.022 0.000 0.922 299 L HN 0.537 nan 8.230 nan 0.000 0.445 300 T N -3.933 110.582 114.554 -0.064 0.000 3.188 300 T HA 0.097 4.447 4.350 0.001 0.000 0.250 300 T C 0.551 175.214 174.700 -0.062 0.000 1.077 300 T CA -0.298 61.736 62.100 -0.111 0.000 0.967 300 T CB 0.107 68.919 68.868 -0.093 0.000 1.006 300 T HN -0.081 nan 8.240 nan 0.000 0.552 301 K N 1.846 122.208 120.400 -0.064 0.000 2.318 301 K HA 0.662 4.983 4.320 0.001 0.000 0.249 301 K C -0.311 176.297 176.600 0.013 0.000 0.942 301 K CA -0.785 55.493 56.287 -0.015 0.000 0.808 301 K CB 2.534 35.065 32.500 0.050 0.000 1.189 301 K HN 0.192 nan 8.250 nan 0.000 0.428 302 V N -2.020 117.960 119.914 0.110 0.000 3.019 302 V HA 0.626 4.746 4.120 0.001 0.000 0.317 302 V C -1.097 175.214 176.094 0.362 0.000 1.094 302 V CA -1.019 61.331 62.300 0.083 0.000 1.000 302 V CB 1.742 33.602 31.823 0.062 0.000 1.060 302 V HN 0.553 nan 8.190 nan 0.000 0.443 303 W N 1.522 122.831 121.300 0.015 0.000 2.316 303 W HA 0.598 5.258 4.660 0.001 0.000 0.308 303 W C -2.497 174.089 176.519 0.112 0.000 1.106 303 W CA -2.718 54.649 57.345 0.037 0.000 1.262 303 W CB 0.137 29.427 29.460 -0.283 0.000 1.233 303 W HN 0.427 nan 8.180 nan 0.000 0.447 304 P HA -0.051 nan 4.420 nan 0.000 0.262 304 P C 0.717 178.176 177.300 0.266 0.000 1.182 304 P CA 0.666 63.927 63.100 0.268 0.000 0.761 304 P CB 0.601 32.476 31.700 0.292 0.000 0.795 305 H N 1.352 120.564 119.070 0.238 0.000 2.422 305 H HA -0.184 4.373 4.556 0.001 0.000 0.298 305 H C 1.859 177.252 175.328 0.109 0.000 1.098 305 H CA 1.400 57.540 56.048 0.154 0.000 1.315 305 H CB 0.121 29.930 29.762 0.079 0.000 1.382 305 H HN 0.300 nan 8.280 nan 0.000 0.523 306 K N 0.562 121.090 120.400 0.213 0.000 2.057 306 K HA -0.121 4.199 4.320 0.001 0.000 0.207 306 K C 1.202 177.818 176.600 0.027 0.000 1.049 306 K CA 1.662 58.012 56.287 0.106 0.000 0.931 306 K CB 0.117 32.670 32.500 0.087 0.000 0.714 306 K HN 0.326 nan 8.250 nan 0.000 0.440 307 D N -1.616 118.786 120.400 0.003 0.000 2.301 307 D HA -0.038 4.602 4.640 0.001 0.000 0.206 307 D C -0.219 175.724 176.300 -0.594 0.000 0.979 307 D CA 0.729 54.558 54.000 -0.284 0.000 0.874 307 D CB 0.342 40.960 40.800 -0.303 0.000 0.968 307 D HN 0.194 nan 8.370 nan 0.000 0.510 308 Y N 0.259 120.622 120.300 0.104 0.000 2.705 308 Y HA 0.327 4.877 4.550 0.001 0.000 0.355 308 Y C -2.449 173.535 175.900 0.140 0.000 1.039 308 Y CA -2.374 55.794 58.100 0.113 0.000 1.233 308 Y CB 1.395 39.958 38.460 0.172 0.000 1.103 308 Y HN -0.234 nan 8.280 nan 0.000 0.624 309 P HA -0.005 nan 4.420 nan 0.000 0.267 309 P C -0.170 177.182 177.300 0.087 0.000 1.200 309 P CA 0.076 63.245 63.100 0.115 0.000 0.772 309 P CB 0.892 32.631 31.700 0.065 0.000 0.855 310 L N 3.625 124.840 121.223 -0.013 0.000 2.410 310 L HA 0.208 4.549 4.340 0.001 0.000 0.273 310 L C 0.441 177.353 176.870 0.071 0.000 1.144 310 L CA 0.127 54.906 54.840 -0.102 0.000 0.863 310 L CB -0.199 41.560 42.059 -0.500 0.000 1.140 310 L HN 0.255 nan 8.230 nan 0.000 0.463 311 I N 6.201 126.864 120.570 0.155 0.000 2.330 311 I HA 0.280 4.451 4.170 0.001 0.000 0.289 311 I C -1.949 174.301 176.117 0.220 0.000 1.001 311 I CA -2.088 59.311 61.300 0.165 0.000 1.193 311 I CB 1.632 39.695 38.000 0.105 0.000 1.345 311 I HN 0.361 nan 8.210 nan 0.000 0.461 312 P HA 0.047 nan 4.420 nan 0.000 0.268 312 P C 0.131 177.317 177.300 -0.190 0.000 1.205 312 P CA 0.102 63.034 63.100 -0.280 0.000 0.771 312 P CB 2.201 33.534 31.700 -0.612 0.000 0.858 313 V N 1.530 121.445 119.914 0.000 0.000 3.165 313 V HA 0.416 4.536 4.120 0.001 0.000 0.231 313 V C 1.024 177.304 176.094 0.309 0.000 1.365 313 V CA 1.209 63.656 62.300 0.246 0.000 1.286 313 V CB 0.332 32.408 31.823 0.421 0.000 1.081 313 V HN 0.863 nan 8.190 nan 0.000 0.477 314 G N -0.213 108.774 108.800 0.312 0.000 2.500 314 G HA2 0.497 4.458 3.960 0.001 0.000 0.299 314 G HA3 0.497 4.458 3.960 0.001 0.000 0.299 314 G C -2.032 172.967 174.900 0.166 0.000 1.242 314 G CA -0.453 44.722 45.100 0.124 0.000 0.859 314 G HN -0.058 nan 8.290 nan 0.000 0.481 315 K N -0.039 120.369 120.400 0.014 0.000 2.426 315 K HA 0.597 4.917 4.320 0.001 0.000 0.251 315 K C -1.273 175.436 176.600 0.182 0.000 0.941 315 K CA -0.580 55.794 56.287 0.144 0.000 0.808 315 K CB 2.500 35.051 32.500 0.085 0.000 1.265 315 K HN 0.370 nan 8.250 nan 0.000 0.432 316 L N 2.194 123.594 121.223 0.295 0.000 2.305 316 L HA 0.507 4.848 4.340 0.001 0.000 0.284 316 L C -0.622 176.358 176.870 0.184 0.000 1.013 316 L CA -1.134 53.844 54.840 0.230 0.000 0.819 316 L CB 1.774 43.986 42.059 0.255 0.000 1.227 316 L HN 0.138 nan 8.230 nan 0.000 0.417 317 V N 4.760 124.599 119.914 -0.125 0.000 2.531 317 V HA 0.371 4.492 4.120 0.001 0.000 0.301 317 V C -0.506 175.485 176.094 -0.171 0.000 1.034 317 V CA -0.550 61.624 62.300 -0.210 0.000 0.865 317 V CB 2.284 33.704 31.823 -0.672 0.000 0.995 317 V HN 0.374 nan 8.190 nan 0.000 0.424 318 L N 5.862 127.119 121.223 0.056 0.000 2.264 318 L HA 0.509 4.849 4.340 0.001 0.000 0.287 318 L C 0.587 177.438 176.870 -0.031 0.000 1.039 318 L CA 0.083 54.961 54.840 0.062 0.000 0.829 318 L CB 1.000 43.204 42.059 0.241 0.000 1.211 318 L HN 0.874 nan 8.230 nan 0.000 0.427 319 N N 2.250 120.834 118.700 -0.194 0.000 2.241 319 N HA 0.147 4.887 4.740 0.001 0.000 0.238 319 N C 0.030 175.377 175.510 -0.271 0.000 1.244 319 N CA -0.333 52.376 53.050 -0.568 0.000 0.880 319 N CB 0.608 38.469 38.487 -1.044 0.000 1.179 319 N HN 0.422 nan 8.380 nan 0.000 0.513 320 R N 0.297 120.783 120.500 -0.023 0.000 2.522 320 R HA 0.352 4.693 4.340 0.001 0.000 0.283 320 R C -1.338 175.072 176.300 0.182 0.000 1.074 320 R CA -0.516 55.623 56.100 0.066 0.000 0.925 320 R CB 0.986 31.338 30.300 0.086 0.000 1.205 320 R HN -0.004 nan 8.270 nan 0.000 0.436 321 N N 3.094 121.858 118.700 0.107 0.000 2.463 321 N HA 0.366 5.107 4.740 0.001 0.000 0.270 321 N C -2.451 173.239 175.510 0.300 0.000 1.205 321 N CA -1.522 51.626 53.050 0.163 0.000 0.974 321 N CB 0.851 39.263 38.487 -0.126 0.000 1.197 321 N HN 0.374 nan 8.380 nan 0.000 0.504 322 P HA 0.130 nan 4.420 nan 0.000 0.274 322 P C 0.537 178.007 177.300 0.284 0.000 1.231 322 P CA -0.309 63.014 63.100 0.372 0.000 0.790 322 P CB 0.924 32.876 31.700 0.420 0.000 0.951 323 V N 0.620 120.634 119.914 0.166 0.000 2.825 323 V HA 0.068 4.188 4.120 0.001 0.000 0.246 323 V C 0.799 177.002 176.094 0.181 0.000 1.068 323 V CA 1.120 63.522 62.300 0.170 0.000 1.088 323 V CB -0.495 31.387 31.823 0.099 0.000 0.733 323 V HN 0.639 nan 8.190 nan 0.000 0.468 324 N N -1.191 117.608 118.700 0.165 0.000 2.480 324 N HA 0.141 4.881 4.740 0.001 0.000 0.289 324 N C 0.094 175.741 175.510 0.228 0.000 1.073 324 N CA -0.383 52.778 53.050 0.185 0.000 0.885 324 N CB 2.076 40.650 38.487 0.145 0.000 1.421 324 N HN 0.162 nan 8.380 nan 0.000 0.503 325 Y N 4.407 124.806 120.300 0.165 0.000 2.145 325 Y HA -0.184 4.366 4.550 0.001 0.000 0.286 325 Y C 1.823 177.825 175.900 0.171 0.000 1.145 325 Y CA 1.745 59.947 58.100 0.171 0.000 1.148 325 Y CB -0.184 38.365 38.460 0.148 0.000 0.981 325 Y HN 0.671 nan 8.280 nan 0.000 0.507 326 F N 0.324 120.396 119.950 0.202 0.000 2.095 326 F HA -0.245 4.282 4.527 0.001 0.000 0.298 326 F C 2.326 178.130 175.800 0.006 0.000 1.104 326 F CA 1.909 59.971 58.000 0.105 0.000 1.232 326 F CB -0.679 38.394 39.000 0.121 0.000 0.987 326 F HN 0.102 nan 8.300 nan 0.000 0.475 327 A N -0.282 122.614 122.820 0.126 0.000 1.898 327 A HA -0.159 4.162 4.320 0.001 0.000 0.216 327 A C 2.026 179.566 177.584 -0.074 0.000 1.181 327 A CA 1.894 53.941 52.037 0.018 0.000 0.620 327 A CB -0.662 18.399 19.000 0.101 0.000 0.819 327 A HN 0.572 nan 8.150 nan 0.000 0.442 328 E N -1.253 118.926 120.200 -0.036 0.000 2.364 328 E HA 0.103 4.454 4.350 0.001 0.000 0.196 328 E C 1.482 178.083 176.600 0.002 0.000 0.990 328 E CA 0.612 57.037 56.400 0.042 0.000 0.886 328 E CB 0.413 30.202 29.700 0.147 0.000 0.866 328 E HN 0.411 nan 8.360 nan 0.000 0.493 329 V N 0.217 119.981 119.914 -0.249 0.000 2.840 329 V HA -0.054 4.066 4.120 0.001 0.000 0.234 329 V C 2.001 177.838 176.094 -0.429 0.000 1.159 329 V CA 0.744 62.792 62.300 -0.419 0.000 1.194 329 V CB -0.037 31.277 31.823 -0.848 0.000 0.971 329 V HN 0.010 nan 8.190 nan 0.000 0.494 330 E N 1.010 120.881 120.200 -0.548 0.000 2.118 330 E HA -0.239 4.111 4.350 0.001 0.000 0.195 330 E C 2.048 178.424 176.600 -0.374 0.000 0.992 330 E CA 1.684 57.876 56.400 -0.348 0.000 0.804 330 E CB -0.162 29.377 29.700 -0.268 0.000 0.741 330 E HN 0.637 nan 8.360 nan 0.000 0.458 331 Q N -0.409 119.113 119.800 -0.464 0.000 2.360 331 Q HA 0.176 4.516 4.340 0.001 0.000 0.202 331 Q C 0.356 176.200 176.000 -0.261 0.000 0.915 331 Q CA -0.309 55.271 55.803 -0.372 0.000 0.943 331 Q CB 0.371 28.875 28.738 -0.391 0.000 1.064 331 Q HN 0.356 nan 8.270 nan 0.000 0.511 332 I N 0.981 121.396 120.570 -0.258 0.000 2.696 332 I HA 0.150 4.320 4.170 0.001 0.000 0.284 332 I C -0.725 175.143 176.117 -0.415 0.000 1.129 332 I CA -0.175 60.927 61.300 -0.331 0.000 1.410 332 I CB 0.675 38.454 38.000 -0.368 0.000 1.399 332 I HN -0.044 nan 8.210 nan 0.000 0.579 333 A N 7.527 130.000 122.820 -0.579 0.000 2.375 333 A HA 0.647 4.968 4.320 0.001 0.000 0.295 333 A C -1.369 175.887 177.584 -0.546 0.000 1.066 333 A CA -0.405 51.227 52.037 -0.674 0.000 0.722 333 A CB 0.546 18.936 19.000 -1.017 0.000 1.206 333 A HN 0.576 nan 8.150 nan 0.000 0.435 334 F N 1.738 121.674 119.950 -0.023 0.000 2.427 334 F HA 0.446 4.974 4.527 0.001 0.000 0.346 334 F C -0.226 175.647 175.800 0.122 0.000 1.120 334 F CA -0.387 57.608 58.000 -0.008 0.000 1.033 334 F CB 2.030 40.969 39.000 -0.101 0.000 1.126 334 F HN 0.422 nan 8.300 nan 0.000 0.462 335 D N 5.279 125.796 120.400 0.195 0.000 2.425 335 D HA 0.234 4.874 4.640 0.001 0.000 0.240 335 D C -2.001 174.277 176.300 -0.038 0.000 1.080 335 D CA -1.596 52.468 54.000 0.108 0.000 0.836 335 D CB 2.072 42.995 40.800 0.206 0.000 1.125 335 D HN 0.170 nan 8.370 nan 0.000 0.525 336 P HA -0.159 nan 4.420 nan 0.000 0.219 336 P C 1.360 178.686 177.300 0.044 0.000 1.146 336 P CA 1.121 64.152 63.100 -0.116 0.000 0.808 336 P CB 0.277 31.832 31.700 -0.242 0.000 0.779 337 S N -2.181 113.543 115.700 0.040 0.000 2.515 337 S HA -0.072 4.399 4.470 0.001 0.000 0.231 337 S C 0.832 175.488 174.600 0.094 0.000 0.987 337 S CA 0.273 58.522 58.200 0.082 0.000 0.936 337 S CB -1.310 61.939 63.200 0.080 0.000 0.766 337 S HN 0.221 nan 8.310 nan 0.000 0.528 338 N N 1.772 120.531 118.700 0.097 0.000 2.466 338 N HA 0.329 5.069 4.740 0.001 0.000 0.263 338 N C -1.022 174.585 175.510 0.162 0.000 1.178 338 N CA 0.144 53.255 53.050 0.101 0.000 0.983 338 N CB 0.122 38.658 38.487 0.082 0.000 1.331 338 N HN 0.389 nan 8.380 nan 0.000 0.500 339 M N 2.915 122.571 119.600 0.094 0.000 2.327 339 M HA 0.436 4.916 4.480 0.001 0.000 0.298 339 M C -2.426 173.824 176.300 -0.084 0.000 1.065 339 M CA -1.723 53.583 55.300 0.010 0.000 0.916 339 M CB 2.560 35.172 32.600 0.021 0.000 1.630 339 M HN 0.227 nan 8.290 nan 0.000 0.442 340 P HA 0.495 nan 4.420 nan 0.000 0.280 340 P C -2.867 174.326 177.300 -0.179 0.000 1.272 340 P CA -1.702 61.288 63.100 -0.182 0.000 0.819 340 P CB -0.318 31.233 31.700 -0.248 0.000 1.122 341 P HA 0.124 nan 4.420 nan 0.000 0.264 341 P C 0.894 178.129 177.300 -0.108 0.000 1.193 341 P CA 1.416 64.468 63.100 -0.081 0.000 0.763 341 P CB -0.200 31.468 31.700 -0.054 0.000 0.810 342 G N 2.455 111.215 108.800 -0.067 0.000 2.231 342 G HA2 -0.167 3.794 3.960 0.001 0.000 0.206 342 G HA3 -0.167 3.794 3.960 0.001 0.000 0.206 342 G C -0.056 174.815 174.900 -0.048 0.000 0.996 342 G CA -0.419 44.653 45.100 -0.047 0.000 0.645 342 G HN 0.482 nan 8.290 nan 0.000 0.498 343 I N 1.326 121.829 120.570 -0.112 0.000 2.478 343 I HA 0.545 4.715 4.170 0.001 0.000 0.287 343 I C -0.365 175.760 176.117 0.013 0.000 1.042 343 I CA -0.634 60.611 61.300 -0.091 0.000 1.067 343 I CB 1.942 39.693 38.000 -0.414 0.000 1.233 343 I HN 0.110 nan 8.210 nan 0.000 0.431 344 E N 3.375 123.664 120.200 0.148 0.000 2.423 344 E HA 0.782 5.132 4.350 0.001 0.000 0.269 344 E C -0.701 176.091 176.600 0.320 0.000 0.948 344 E CA -1.017 55.500 56.400 0.195 0.000 0.802 344 E CB 2.243 32.045 29.700 0.171 0.000 1.339 344 E HN 0.614 nan 8.360 nan 0.000 0.445 345 A N 0.707 123.672 122.820 0.241 0.000 2.259 345 A HA 0.580 4.900 4.320 0.001 0.000 0.278 345 A C -0.071 177.581 177.584 0.112 0.000 1.107 345 A CA -0.158 51.982 52.037 0.172 0.000 0.828 345 A CB 0.541 19.578 19.000 0.060 0.000 1.111 345 A HN 0.524 nan 8.150 nan 0.000 0.498 346 S N -0.853 114.813 115.700 -0.056 0.000 2.671 346 S HA 0.689 5.160 4.470 0.001 0.000 0.299 346 S C -2.511 171.870 174.600 -0.365 0.000 1.116 346 S CA -1.096 57.002 58.200 -0.169 0.000 0.912 346 S CB 1.720 64.802 63.200 -0.197 0.000 1.130 346 S HN 0.467 nan 8.310 nan 0.000 0.501 347 P HA 0.065 nan 4.420 nan 0.000 0.252 347 P C -0.279 176.793 177.300 -0.381 0.000 1.265 347 P CA 0.136 62.927 63.100 -0.515 0.000 0.775 347 P CB -0.631 30.738 31.700 -0.552 0.000 1.128 348 D N 1.386 121.590 120.400 -0.326 0.000 2.451 348 D HA -0.059 4.581 4.640 0.001 0.000 0.254 348 D C 1.164 177.387 176.300 -0.127 0.000 1.204 348 D CA 0.359 54.293 54.000 -0.110 0.000 0.896 348 D CB 0.733 41.471 40.800 -0.102 0.000 1.136 348 D HN 0.014 nan 8.370 nan 0.000 0.499 349 K N 3.493 123.864 120.400 -0.048 0.000 2.113 349 K HA -0.178 4.143 4.320 0.001 0.000 0.208 349 K C 1.957 178.530 176.600 -0.045 0.000 1.047 349 K CA 1.066 57.331 56.287 -0.036 0.000 0.928 349 K CB -0.019 32.493 32.500 0.020 0.000 0.716 349 K HN 0.536 nan 8.250 nan 0.000 0.446 350 M N 0.369 119.955 119.600 -0.024 0.000 2.099 350 M HA -0.127 4.353 4.480 0.001 0.000 0.262 350 M C 2.365 178.564 176.300 -0.168 0.000 1.067 350 M CA 1.173 56.462 55.300 -0.017 0.000 1.124 350 M CB -0.873 31.801 32.600 0.123 0.000 1.353 350 M HN 0.162 nan 8.290 nan 0.000 0.410 351 L N 1.088 122.036 121.223 -0.457 0.000 2.046 351 L HA -0.191 4.150 4.340 0.001 0.000 0.208 351 L C 2.456 179.143 176.870 -0.305 0.000 1.077 351 L CA 1.845 56.246 54.840 -0.730 0.000 0.747 351 L CB -0.826 40.627 42.059 -1.009 0.000 0.896 351 L HN 0.307 nan 8.230 nan 0.000 0.432 352 Q N -0.231 119.443 119.800 -0.210 0.000 2.135 352 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 352 Q C 2.100 178.078 176.000 -0.036 0.000 0.981 352 Q CA 1.648 57.387 55.803 -0.106 0.000 0.856 352 Q CB -0.727 27.951 28.738 -0.100 0.000 0.902 352 Q HN 0.709 nan 8.270 nan 0.000 0.425 353 G N 0.741 109.519 108.800 -0.036 0.000 2.421 353 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 353 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 353 G C 1.519 176.464 174.900 0.074 0.000 1.143 353 G CA 0.173 45.290 45.100 0.028 0.000 0.784 353 G HN 0.253 nan 8.290 nan 0.000 0.541 354 R N -0.656 119.856 120.500 0.020 0.000 2.148 354 R HA 0.066 4.407 4.340 0.001 0.000 0.227 354 R C 2.254 178.645 176.300 0.152 0.000 1.103 354 R CA 0.275 56.457 56.100 0.137 0.000 0.983 354 R CB -0.332 30.013 30.300 0.076 0.000 0.874 354 R HN 0.212 nan 8.270 nan 0.000 0.451 355 L N -0.149 121.117 121.223 0.072 0.000 2.127 355 L HA -0.181 4.159 4.340 0.001 0.000 0.211 355 L C 1.857 178.814 176.870 0.144 0.000 1.089 355 L CA 1.632 56.522 54.840 0.085 0.000 0.757 355 L CB -0.604 41.493 42.059 0.063 0.000 0.899 355 L HN 0.120 nan 8.230 nan 0.000 0.434 356 F N -0.463 119.511 119.950 0.040 0.000 2.243 356 F HA 0.144 4.672 4.527 0.001 0.000 0.287 356 F C 2.330 178.149 175.800 0.031 0.000 1.067 356 F CA 0.882 58.901 58.000 0.033 0.000 1.304 356 F CB -0.615 38.388 39.000 0.005 0.000 1.087 356 F HN -0.039 nan 8.300 nan 0.000 0.513 357 A N 0.337 122.986 122.820 -0.285 0.000 1.903 357 A HA -0.255 4.065 4.320 0.001 0.000 0.219 357 A C 2.121 179.413 177.584 -0.488 0.000 1.191 357 A CA 2.233 53.991 52.037 -0.465 0.000 0.638 357 A CB -1.774 17.082 19.000 -0.239 0.000 0.823 357 A HN 0.621 nan 8.150 nan 0.000 0.451 358 Y N -0.068 120.013 120.300 -0.366 0.000 2.089 358 Y HA -0.132 4.418 4.550 0.001 0.000 0.282 358 Y C 0.016 175.605 175.900 -0.519 0.000 1.139 358 Y CA 2.048 59.873 58.100 -0.457 0.000 1.123 358 Y CB -1.610 36.711 38.460 -0.231 0.000 0.980 358 Y HN 0.285 nan 8.280 nan 0.000 0.493 359 P HA -0.159 nan 4.420 nan 0.000 0.216 359 P C 0.845 178.061 177.300 -0.139 0.000 1.150 359 P CA 2.135 65.272 63.100 0.061 0.000 0.837 359 P CB -0.020 31.756 31.700 0.127 0.000 0.786 360 D N -1.570 118.620 120.400 -0.350 0.000 2.084 360 D HA -0.161 4.479 4.640 0.001 0.000 0.194 360 D C 2.032 178.158 176.300 -0.289 0.000 0.990 360 D CA 1.635 55.395 54.000 -0.401 0.000 0.826 360 D CB -0.835 39.429 40.800 -0.894 0.000 0.971 360 D HN -0.039 nan 8.370 nan 0.000 0.453 361 T N -1.882 112.441 114.554 -0.384 0.000 2.915 361 T HA -0.127 4.223 4.350 0.001 0.000 0.269 361 T C 1.527 176.094 174.700 -0.221 0.000 1.071 361 T CA 1.419 63.349 62.100 -0.283 0.000 1.132 361 T CB -0.414 68.232 68.868 -0.370 0.000 0.878 361 T HN 0.346 nan 8.240 nan 0.000 0.479 362 H N -0.022 118.850 119.070 -0.330 0.000 2.423 362 H HA 0.112 4.669 4.556 0.001 0.000 0.297 362 H C 2.583 177.614 175.328 -0.495 0.000 1.075 362 H CA 0.892 56.574 56.048 -0.609 0.000 1.342 362 H CB 0.157 29.136 29.762 -1.304 0.000 1.395 362 H HN 0.246 nan 8.280 nan 0.000 0.530 363 R N -0.503 119.913 120.500 -0.139 0.000 2.189 363 R HA -0.126 4.215 4.340 0.001 0.000 0.223 363 R C 1.842 178.166 176.300 0.041 0.000 1.092 363 R CA 1.328 57.449 56.100 0.036 0.000 0.989 363 R CB -0.065 30.287 30.300 0.086 0.000 0.876 363 R HN 0.492 nan 8.270 nan 0.000 0.457 364 H N 0.416 119.446 119.070 -0.067 0.000 2.344 364 H HA 0.089 4.646 4.556 0.001 0.000 0.307 364 H C 2.172 177.478 175.328 -0.038 0.000 1.057 364 H CA 1.142 57.163 56.048 -0.044 0.000 1.373 364 H CB 0.149 29.878 29.762 -0.055 0.000 1.421 364 H HN -0.081 nan 8.280 nan 0.000 0.532 365 R N -0.357 120.011 120.500 -0.220 0.000 2.075 365 R HA -0.067 4.274 4.340 0.001 0.000 0.232 365 R C 1.089 177.290 176.300 -0.165 0.000 1.126 365 R CA 1.597 57.555 56.100 -0.236 0.000 0.963 365 R CB 0.066 30.337 30.300 -0.049 0.000 0.858 365 R HN 0.319 nan 8.270 nan 0.000 0.435 366 L N -1.439 119.714 121.223 -0.117 0.000 2.262 366 L HA 0.400 4.741 4.340 0.001 0.000 0.197 366 L C 0.998 177.856 176.870 -0.020 0.000 1.073 366 L CA 1.615 56.416 54.840 -0.065 0.000 0.800 366 L CB -0.212 41.813 42.059 -0.056 0.000 0.987 366 L HN 0.466 nan 8.230 nan 0.000 0.470 367 G N -2.241 106.566 108.800 0.011 0.000 2.353 367 G HA2 0.138 4.099 3.960 0.001 0.000 0.308 367 G HA3 0.138 4.099 3.960 0.001 0.000 0.308 367 G C -2.485 172.480 174.900 0.107 0.000 1.418 367 G CA -0.375 44.747 45.100 0.036 0.000 0.966 367 G HN -0.149 nan 8.290 nan 0.000 0.638 368 P HA -0.051 nan 4.420 nan 0.000 0.216 368 P C 0.938 178.237 177.300 -0.002 0.000 1.150 368 P CA 1.358 64.495 63.100 0.063 0.000 0.837 368 P CB 0.019 31.730 31.700 0.017 0.000 0.786 369 N N -1.431 117.203 118.700 -0.111 0.000 2.558 369 N HA 0.060 4.800 4.740 0.001 0.000 0.281 369 N C 0.749 176.096 175.510 -0.272 0.000 1.219 369 N CA -0.348 52.465 53.050 -0.396 0.000 0.942 369 N CB -0.356 37.752 38.487 -0.631 0.000 1.241 369 N HN 0.290 nan 8.380 nan 0.000 0.511 370 Y N -1.209 119.001 120.300 -0.151 0.000 2.333 370 Y HA -0.028 4.523 4.550 0.001 0.000 0.290 370 Y C 1.260 177.112 175.900 -0.079 0.000 1.144 370 Y CA 0.679 58.717 58.100 -0.104 0.000 1.228 370 Y CB -0.230 38.171 38.460 -0.098 0.000 0.985 370 Y HN 0.124 nan 8.280 nan 0.000 0.542 371 L N 0.272 121.116 121.223 -0.633 0.000 2.551 371 L HA -0.100 4.240 4.340 0.001 0.000 0.228 371 L C 1.810 178.673 176.870 -0.011 0.000 1.153 371 L CA 0.863 55.478 54.840 -0.375 0.000 0.851 371 L CB -0.649 41.162 42.059 -0.414 0.000 0.959 371 L HN 0.487 nan 8.230 nan 0.000 0.451 372 H N -0.553 118.436 119.070 -0.135 0.000 2.535 372 H HA 0.156 4.713 4.556 0.001 0.000 0.273 372 H C 0.819 176.119 175.328 -0.047 0.000 0.983 372 H CA -0.500 55.505 56.048 -0.072 0.000 1.238 372 H CB 0.495 30.227 29.762 -0.051 0.000 1.412 372 H HN 0.217 nan 8.280 nan 0.000 0.562 373 I N 2.606 123.223 120.570 0.078 0.000 2.598 373 I HA -0.063 4.107 4.170 0.001 0.000 0.284 373 I C -1.354 174.769 176.117 0.010 0.000 1.140 373 I CA -1.537 59.783 61.300 0.034 0.000 1.420 373 I CB 0.982 38.989 38.000 0.011 0.000 1.387 373 I HN -0.062 nan 8.210 nan 0.000 0.553 374 P HA -0.275 nan 4.420 nan 0.000 0.221 374 P C 1.723 179.003 177.300 -0.033 0.000 1.160 374 P CA 1.242 64.313 63.100 -0.050 0.000 0.933 374 P CB 0.161 31.812 31.700 -0.082 0.000 0.793 375 V N -0.728 119.173 119.914 -0.020 0.000 2.594 375 V HA -0.187 3.933 4.120 0.001 0.000 0.253 375 V C 1.502 177.674 176.094 0.130 0.000 1.069 375 V CA 2.040 64.371 62.300 0.052 0.000 1.082 375 V CB -0.936 30.909 31.823 0.037 0.000 0.680 375 V HN 0.132 nan 8.190 nan 0.000 0.469 376 N N -1.235 117.494 118.700 0.049 0.000 2.356 376 N HA 0.063 4.803 4.740 0.001 0.000 0.178 376 N C 0.622 176.179 175.510 0.079 0.000 1.075 376 N CA 0.511 53.574 53.050 0.021 0.000 0.889 376 N CB -0.306 38.156 38.487 -0.041 0.000 0.999 376 N HN 0.479 nan 8.380 nan 0.000 0.464 377 C N 4.596 123.959 119.300 0.105 0.000 2.648 377 C HA 0.151 4.612 4.460 0.001 0.000 0.419 377 C C -1.777 173.340 174.990 0.210 0.000 1.352 377 C CA -1.232 57.848 59.018 0.104 0.000 1.816 377 C CB 0.044 27.818 27.740 0.057 0.000 2.598 377 C HN 0.247 nan 8.230 nan 0.000 0.598 378 P HA 0.078 nan 4.420 nan 0.000 0.237 378 P C -0.027 177.326 177.300 0.089 0.000 1.788 378 P CA 0.121 63.301 63.100 0.133 0.000 1.061 378 P CB -0.589 31.138 31.700 0.045 0.000 1.967 379 Y N 1.181 121.487 120.300 0.010 0.000 2.569 379 Y HA 0.015 4.565 4.550 0.001 0.000 0.293 379 Y C 1.303 177.175 175.900 -0.046 0.000 1.144 379 Y CA 0.406 58.468 58.100 -0.064 0.000 1.321 379 Y CB -0.563 37.806 38.460 -0.151 0.000 0.982 379 Y HN 0.002 nan 8.280 nan 0.000 0.558 380 R N 0.908 121.240 120.500 -0.280 0.000 2.552 380 R HA 0.608 4.948 4.340 0.001 0.000 0.314 380 R C -0.417 175.830 176.300 -0.089 0.000 1.041 380 R CA 0.328 56.310 56.100 -0.196 0.000 1.076 380 R CB 0.528 30.649 30.300 -0.298 0.000 1.290 380 R HN 0.326 nan 8.270 nan 0.000 0.563 381 A N 0.916 123.703 122.820 -0.054 0.000 2.539 381 A HA 0.568 4.888 4.320 0.001 0.000 0.296 381 A C -1.261 176.305 177.584 -0.030 0.000 1.073 381 A CA -0.886 51.127 52.037 -0.040 0.000 0.700 381 A CB 1.419 20.395 19.000 -0.039 0.000 1.296 381 A HN 0.185 nan 8.150 nan 0.000 0.405 382 R N 1.370 121.849 120.500 -0.035 0.000 2.205 382 R HA 0.502 4.843 4.340 0.001 0.000 0.342 382 R C -1.328 174.941 176.300 -0.051 0.000 1.058 382 R CA -0.073 56.003 56.100 -0.041 0.000 0.904 382 R CB 0.061 30.336 30.300 -0.041 0.000 1.089 382 R HN 0.427 nan 8.270 nan 0.000 0.471 383 V N 4.129 124.010 119.914 -0.055 0.000 2.455 383 V HA 0.622 4.742 4.120 0.001 0.000 0.273 383 V C 0.045 176.086 176.094 -0.089 0.000 1.045 383 V CA 0.054 62.315 62.300 -0.065 0.000 0.976 383 V CB 0.806 32.596 31.823 -0.056 0.000 0.993 383 V HN 0.900 nan 8.190 nan 0.000 0.475 384 A N 6.115 128.868 122.820 -0.111 0.000 2.442 384 A HA 0.797 5.118 4.320 0.001 0.000 0.284 384 A C -0.367 177.080 177.584 -0.229 0.000 1.058 384 A CA -0.659 51.279 52.037 -0.164 0.000 0.738 384 A CB 1.118 20.029 19.000 -0.148 0.000 1.242 384 A HN 0.921 nan 8.150 nan 0.000 0.421 385 N N -0.009 118.497 118.700 -0.323 0.000 3.575 385 N HA 0.279 5.020 4.740 0.001 0.000 0.343 385 N C -1.016 174.079 175.510 -0.693 0.000 1.574 385 N CA -0.575 52.220 53.050 -0.425 0.000 0.832 385 N CB 0.615 39.010 38.487 -0.154 0.000 2.151 385 N HN 0.310 nan 8.380 nan 0.000 0.552 386 Y N 0.106 120.380 120.300 -0.044 0.000 2.681 386 Y HA 0.328 4.878 4.550 0.001 0.000 0.267 386 Y C 0.038 175.954 175.900 0.026 0.000 1.166 386 Y CA -0.405 57.696 58.100 0.002 0.000 1.209 386 Y CB 0.521 38.999 38.460 0.030 0.000 1.161 386 Y HN 0.164 nan 8.280 nan 0.000 0.534 387 Q N 1.362 121.196 119.800 0.056 0.000 2.243 387 Q HA 0.548 4.888 4.340 0.001 0.000 0.252 387 Q C -0.200 175.828 176.000 0.048 0.000 0.909 387 Q CA -0.571 55.269 55.803 0.062 0.000 0.922 387 Q CB 1.441 30.203 28.738 0.041 0.000 1.215 387 Q HN 0.135 nan 8.270 nan 0.000 0.427 388 R N 1.695 122.231 120.500 0.060 0.000 2.764 388 R HA 0.354 4.694 4.340 0.001 0.000 0.270 388 R C -0.726 175.606 176.300 0.052 0.000 1.014 388 R CA -0.641 55.492 56.100 0.055 0.000 0.904 388 R CB 1.212 31.547 30.300 0.059 0.000 1.236 388 R HN 0.714 nan 8.270 nan 0.000 0.466 389 D N -0.112 120.320 120.400 0.053 0.000 3.369 389 D HA -0.173 4.468 4.640 0.001 0.000 0.217 389 D C 0.388 176.708 176.300 0.033 0.000 1.532 389 D CA 2.053 56.080 54.000 0.045 0.000 1.126 389 D CB -1.045 39.778 40.800 0.038 0.000 0.683 389 D HN 0.923 nan 8.370 nan 0.000 0.827 390 G N -1.478 107.336 108.800 0.023 0.000 2.690 390 G HA2 0.164 4.125 3.960 0.001 0.000 0.686 390 G HA3 0.164 4.125 3.960 0.001 0.000 0.686 390 G C -2.924 171.979 174.900 0.005 0.000 1.277 390 G CA -0.433 44.671 45.100 0.007 0.000 0.799 390 G HN 0.505 nan 8.290 nan 0.000 0.613 391 P HA 0.304 nan 4.420 nan 0.000 0.266 391 P C 0.895 178.197 177.300 0.004 0.000 1.193 391 P CA 0.208 63.312 63.100 0.007 0.000 0.770 391 P CB 0.253 31.957 31.700 0.006 0.000 0.836 392 M N -1.001 118.611 119.600 0.020 0.000 2.206 392 M HA -0.190 4.291 4.480 0.001 0.000 0.197 392 M C -0.174 176.163 176.300 0.062 0.000 0.375 392 M CA 0.280 55.601 55.300 0.035 0.000 0.410 392 M CB -2.539 30.080 32.600 0.031 0.000 1.204 392 M HN 0.403 nan 8.290 nan 0.000 0.932 393 C N 1.930 121.273 119.300 0.072 0.000 2.459 393 C HA 0.380 4.841 4.460 0.001 0.000 0.358 393 C C 1.043 176.124 174.990 0.152 0.000 1.162 393 C CA -0.453 58.651 59.018 0.143 0.000 1.559 393 C CB -0.603 27.200 27.740 0.106 0.000 2.132 393 C HN 0.535 nan 8.230 nan 0.000 0.536 394 M N 3.516 123.256 119.600 0.234 0.000 2.012 394 M HA 0.450 4.931 4.480 0.001 0.000 0.248 394 M C 0.425 176.696 176.300 -0.047 0.000 1.238 394 M CA 0.741 56.087 55.300 0.077 0.000 0.980 394 M CB 0.096 32.736 32.600 0.066 0.000 1.346 394 M HN 0.912 nan 8.290 nan 0.000 0.511 395 Q N 0.445 120.190 119.800 -0.091 0.000 0.519 395 Q HA -0.201 4.139 4.340 0.001 0.000 0.286 395 Q C -0.190 175.765 176.000 -0.074 0.000 1.084 395 Q CA 1.710 57.437 55.803 -0.128 0.000 0.365 395 Q CB -0.923 27.659 28.738 -0.260 0.000 5.419 395 Q HN 0.899 nan 8.270 nan 0.000 0.323 396 D N 0.336 120.691 120.400 -0.076 0.000 2.339 396 D HA 0.099 4.740 4.640 0.001 0.000 0.217 396 D C 0.264 176.543 176.300 -0.036 0.000 1.050 396 D CA 0.836 54.808 54.000 -0.046 0.000 0.856 396 D CB -0.273 40.500 40.800 -0.046 0.000 0.922 396 D HN 0.612 nan 8.370 nan 0.000 0.518 397 N N 1.255 119.929 118.700 -0.043 0.000 2.725 397 N HA -0.285 4.456 4.740 0.001 0.000 0.249 397 N C -0.537 174.958 175.510 -0.026 0.000 1.103 397 N CA 1.134 54.177 53.050 -0.013 0.000 0.707 397 N CB -1.598 36.899 38.487 0.017 0.000 1.043 397 N HN 0.449 nan 8.380 nan 0.000 0.553 398 Q N -3.269 116.500 119.800 -0.052 0.000 2.481 398 Q HA -0.231 4.109 4.340 0.001 0.000 0.258 398 Q C 1.102 177.075 176.000 -0.045 0.000 0.961 398 Q CA 1.411 57.178 55.803 -0.061 0.000 1.121 398 Q CB -1.677 27.013 28.738 -0.080 0.000 1.503 398 Q HN 1.016 nan 8.270 nan 0.000 0.544 399 G N -0.844 107.937 108.800 -0.032 0.000 2.614 399 G HA2 -0.355 3.605 3.960 0.001 0.000 0.303 399 G HA3 -0.355 3.605 3.960 0.001 0.000 0.303 399 G C 0.477 175.369 174.900 -0.013 0.000 1.270 399 G CA 0.274 45.361 45.100 -0.021 0.000 0.988 399 G HN 0.891 nan 8.290 nan 0.000 0.551 400 G N 0.477 109.270 108.800 -0.011 0.000 3.434 400 G HA2 0.650 4.610 3.960 0.001 0.000 0.258 400 G HA3 0.650 4.610 3.960 0.001 0.000 0.258 400 G C 0.657 175.555 174.900 -0.003 0.000 1.128 400 G CA 1.203 46.301 45.100 -0.004 0.000 0.792 400 G HN 1.778 nan 8.290 nan 0.000 0.539 401 A N 1.146 123.959 122.820 -0.012 0.000 2.511 401 A HA 0.521 4.841 4.320 0.001 0.000 0.242 401 A C -1.935 175.655 177.584 0.010 0.000 1.069 401 A CA -0.820 51.209 52.037 -0.013 0.000 0.763 401 A CB 0.045 19.014 19.000 -0.052 0.000 1.001 401 A HN 0.181 nan 8.150 nan 0.000 0.498 402 P HA -0.043 nan 4.420 nan 0.000 0.260 402 P C 0.142 177.530 177.300 0.146 0.000 1.172 402 P CA 0.536 63.666 63.100 0.049 0.000 0.760 402 P CB 0.358 32.035 31.700 -0.038 0.000 0.773 403 N N 2.317 121.173 118.700 0.259 0.000 2.268 403 N HA -0.012 4.728 4.740 0.001 0.000 0.204 403 N C -0.487 175.335 175.510 0.521 0.000 1.124 403 N CA -0.214 53.051 53.050 0.359 0.000 0.838 403 N CB -0.575 38.054 38.487 0.236 0.000 0.994 403 N HN 0.470 nan 8.380 nan 0.000 0.489 404 Y N -2.936 117.537 120.300 0.288 0.000 2.499 404 Y HA 0.684 5.235 4.550 0.001 0.000 0.347 404 Y C -1.582 174.139 175.900 -0.298 0.000 0.987 404 Y CA -1.932 56.179 58.100 0.017 0.000 1.044 404 Y CB 0.979 39.453 38.460 0.024 0.000 1.245 404 Y HN -0.098 nan 8.280 nan 0.000 0.461 405 Y N 4.963 124.872 120.300 -0.652 0.000 2.361 405 Y HA 0.660 5.210 4.550 0.001 0.000 0.337 405 Y C -2.536 173.221 175.900 -0.238 0.000 0.965 405 Y CA -2.917 54.742 58.100 -0.735 0.000 1.091 405 Y CB 1.692 39.459 38.460 -1.154 0.000 1.182 405 Y HN 0.746 nan 8.280 nan 0.000 0.450 406 P HA 0.362 nan 4.420 nan 0.000 0.278 406 P C -1.575 175.605 177.300 -0.200 0.000 1.258 406 P CA -0.468 62.257 63.100 -0.625 0.000 0.811 406 P CB 1.568 32.927 31.700 -0.569 0.000 1.063 407 N N -1.391 117.212 118.700 -0.162 0.000 2.610 407 N HA 0.141 4.882 4.740 0.001 0.000 0.264 407 N C -0.665 174.862 175.510 0.028 0.000 1.348 407 N CA -0.764 52.253 53.050 -0.054 0.000 0.819 407 N CB 1.317 39.547 38.487 -0.428 0.000 1.521 407 N HN 0.207 nan 8.380 nan 0.000 0.497 408 S N 0.147 115.884 115.700 0.061 0.000 2.583 408 S HA 0.287 4.757 4.470 0.001 0.000 0.239 408 S C -0.469 173.847 174.600 -0.474 0.000 0.966 408 S CA -0.450 57.613 58.200 -0.228 0.000 0.973 408 S CB -0.732 62.253 63.200 -0.359 0.000 0.794 408 S HN 0.482 nan 8.310 nan 0.000 0.463 409 F N 0.963 120.918 119.950 0.008 0.000 2.735 409 F HA 0.386 4.914 4.527 0.001 0.000 0.304 409 F C 1.490 177.299 175.800 0.015 0.000 1.119 409 F CA -0.515 57.496 58.000 0.018 0.000 1.280 409 F CB 0.280 39.299 39.000 0.033 0.000 0.994 409 F HN 0.259 nan 8.300 nan 0.000 0.520 410 G N 0.764 109.633 108.800 0.115 0.000 2.147 410 G HA2 -0.131 3.829 3.960 0.001 0.000 0.244 410 G HA3 -0.131 3.829 3.960 0.001 0.000 0.244 410 G C 0.447 175.404 174.900 0.096 0.000 1.005 410 G CA 0.002 45.156 45.100 0.089 0.000 0.713 410 G HN 0.690 nan 8.290 nan 0.000 0.515 411 A N -0.051 122.849 122.820 0.133 0.000 2.280 411 A HA 0.793 5.113 4.320 0.001 0.000 0.268 411 A C -1.243 176.415 177.584 0.123 0.000 1.111 411 A CA -0.844 51.262 52.037 0.114 0.000 0.814 411 A CB 0.062 19.182 19.000 0.201 0.000 1.093 411 A HN 0.223 nan 8.150 nan 0.000 0.498 412 P HA 0.079 nan 4.420 nan 0.000 0.263 412 P C -0.551 176.779 177.300 0.049 0.000 1.175 412 P CA 0.658 63.728 63.100 -0.049 0.000 0.761 412 P CB 0.330 31.872 31.700 -0.264 0.000 0.794 413 E N 1.875 122.092 120.200 0.027 0.000 2.227 413 E HA 0.139 4.490 4.350 0.001 0.000 0.268 413 E C -0.014 176.592 176.600 0.009 0.000 0.907 413 E CA -0.715 55.739 56.400 0.089 0.000 0.786 413 E CB 1.454 31.242 29.700 0.147 0.000 1.191 413 E HN 0.475 nan 8.360 nan 0.000 0.411 414 Q N 1.068 120.904 119.800 0.060 0.000 2.421 414 Q HA 0.083 4.424 4.340 0.001 0.000 0.255 414 Q C -0.356 175.677 176.000 0.054 0.000 1.013 414 Q CA 0.048 55.877 55.803 0.043 0.000 0.895 414 Q CB 0.948 29.759 28.738 0.121 0.000 1.271 414 Q HN 0.356 nan 8.270 nan 0.000 0.460 415 Q N 2.251 122.069 119.800 0.030 0.000 2.413 415 Q HA 0.226 4.567 4.340 0.001 0.000 0.258 415 Q C -2.113 173.904 176.000 0.027 0.000 1.037 415 Q CA -2.110 53.708 55.803 0.025 0.000 0.764 415 Q CB 1.448 30.191 28.738 0.008 0.000 1.217 415 Q HN 0.514 nan 8.270 nan 0.000 0.490 416 P HA -0.225 nan 4.420 nan 0.000 0.218 416 P C 0.949 178.264 177.300 0.024 0.000 1.146 416 P CA 1.534 64.652 63.100 0.031 0.000 0.820 416 P CB 0.277 31.995 31.700 0.029 0.000 0.778 417 S N -1.529 114.181 115.700 0.018 0.000 2.555 417 S HA 0.083 4.553 4.470 0.001 0.000 0.230 417 S C 1.748 176.356 174.600 0.013 0.000 0.978 417 S CA 0.631 58.839 58.200 0.014 0.000 0.934 417 S CB -0.749 62.456 63.200 0.008 0.000 0.766 417 S HN 0.126 nan 8.310 nan 0.000 0.533 418 A N 0.735 123.564 122.820 0.014 0.000 2.275 418 A HA 0.491 4.811 4.320 0.001 0.000 0.212 418 A C 0.712 178.310 177.584 0.023 0.000 1.201 418 A CA -0.414 51.630 52.037 0.011 0.000 0.843 418 A CB -0.293 18.710 19.000 0.004 0.000 0.873 418 A HN 0.535 nan 8.150 nan 0.000 0.492 419 L N 1.329 122.570 121.223 0.031 0.000 2.485 419 L HA 0.065 4.406 4.340 0.001 0.000 0.275 419 L C 0.215 177.116 176.870 0.053 0.000 1.207 419 L CA -0.355 54.508 54.840 0.040 0.000 0.855 419 L CB 0.536 42.617 42.059 0.037 0.000 1.114 419 L HN 0.398 nan 8.230 nan 0.000 0.485 420 E N 0.698 120.935 120.200 0.062 0.000 2.408 420 E HA 0.043 4.394 4.350 0.001 0.000 0.259 420 E C -0.564 176.105 176.600 0.116 0.000 1.110 420 E CA -0.199 56.256 56.400 0.092 0.000 0.929 420 E CB 0.291 30.044 29.700 0.090 0.000 0.971 420 E HN 0.372 nan 8.360 nan 0.000 0.438 421 H N 0.338 119.445 119.070 0.061 0.000 2.690 421 H HA 0.250 4.806 4.556 0.001 0.000 0.314 421 H C -0.747 174.635 175.328 0.090 0.000 1.069 421 H CA -0.476 55.610 56.048 0.063 0.000 1.436 421 H CB 0.470 30.272 29.762 0.066 0.000 1.462 421 H HN 0.385 nan 8.280 nan 0.000 0.511 422 S N 5.571 121.041 115.700 -0.383 0.000 2.508 422 S HA 0.509 4.979 4.470 0.001 0.000 0.284 422 S C -0.202 174.207 174.600 -0.318 0.000 1.192 422 S CA -0.874 57.187 58.200 -0.232 0.000 1.070 422 S CB 0.904 64.044 63.200 -0.101 0.000 1.004 422 S HN 0.593 nan 8.310 nan 0.000 0.493 423 I N 1.661 122.198 120.570 -0.057 0.000 2.740 423 I HA 0.389 4.560 4.170 0.001 0.000 0.303 423 I C -0.067 176.004 176.117 -0.077 0.000 1.044 423 I CA -0.909 60.365 61.300 -0.043 0.000 1.064 423 I CB 2.063 40.066 38.000 0.006 0.000 1.249 423 I HN 0.542 nan 8.210 nan 0.000 0.433 424 Q N 3.369 123.071 119.800 -0.164 0.000 2.243 424 Q HA 0.419 4.760 4.340 0.001 0.000 0.252 424 Q C -1.855 173.963 176.000 -0.303 0.000 0.909 424 Q CA -0.114 55.620 55.803 -0.115 0.000 0.922 424 Q CB 1.525 30.228 28.738 -0.058 0.000 1.215 424 Q HN 0.442 nan 8.270 nan 0.000 0.427 425 Y N -0.207 120.107 120.300 0.023 0.000 2.576 425 Y HA 0.440 4.990 4.550 0.001 0.000 0.346 425 Y C -0.168 175.742 175.900 0.016 0.000 1.018 425 Y CA -0.645 57.463 58.100 0.014 0.000 1.050 425 Y CB 2.520 40.983 38.460 0.005 0.000 1.280 425 Y HN 0.517 nan 8.280 nan 0.000 0.474 426 S N 0.769 116.582 115.700 0.189 0.000 2.603 426 S HA 0.818 5.289 4.470 0.001 0.000 0.274 426 S C -0.822 173.838 174.600 0.100 0.000 1.168 426 S CA 0.237 58.506 58.200 0.114 0.000 0.963 426 S CB 1.068 64.311 63.200 0.071 0.000 1.078 426 S HN 1.407 nan 8.310 nan 0.000 0.477 427 G N 2.932 111.793 108.800 0.101 0.000 2.336 427 G HA2 0.275 4.235 3.960 0.001 0.000 0.300 427 G HA3 0.275 4.235 3.960 0.001 0.000 0.300 427 G C -1.894 173.102 174.900 0.162 0.000 1.375 427 G CA -0.865 44.307 45.100 0.121 0.000 0.885 427 G HN 0.685 nan 8.290 nan 0.000 0.599 428 E N -0.872 119.477 120.200 0.248 0.000 2.366 428 E HA 0.379 4.729 4.350 0.001 0.000 0.266 428 E C -0.132 176.603 176.600 0.225 0.000 1.051 428 E CA -0.465 56.053 56.400 0.196 0.000 0.884 428 E CB 2.157 31.945 29.700 0.147 0.000 1.006 428 E HN 0.206 nan 8.360 nan 0.000 0.417 429 V N 5.147 125.121 119.914 0.099 0.000 2.276 429 V HA 0.150 4.271 4.120 0.001 0.000 0.249 429 V C 0.235 176.318 176.094 -0.019 0.000 1.160 429 V CA 0.313 62.655 62.300 0.070 0.000 1.042 429 V CB -1.013 30.828 31.823 0.029 0.000 1.224 429 V HN 0.597 nan 8.190 nan 0.000 0.496 430 R N 3.418 123.860 120.500 -0.096 0.000 2.870 430 R HA 0.672 5.013 4.340 0.001 0.000 0.262 430 R C -0.874 175.198 176.300 -0.381 0.000 1.112 430 R CA -1.267 54.647 56.100 -0.310 0.000 0.976 430 R CB 1.683 31.694 30.300 -0.481 0.000 1.261 430 R HN 0.233 nan 8.270 nan 0.000 0.453 431 R N 0.962 121.244 120.500 -0.363 0.000 2.287 431 R HA 0.278 4.619 4.340 0.001 0.000 0.327 431 R C -1.057 175.081 176.300 -0.270 0.000 1.109 431 R CA -0.266 55.709 56.100 -0.208 0.000 1.013 431 R CB 0.166 30.401 30.300 -0.107 0.000 1.126 431 R HN 0.266 nan 8.270 nan 0.000 0.503 432 F N 1.477 121.434 119.950 0.011 0.000 2.438 432 F HA 0.121 4.649 4.527 0.001 0.000 0.356 432 F C 1.113 176.927 175.800 0.023 0.000 1.099 432 F CA -0.700 57.312 58.000 0.019 0.000 1.185 432 F CB 0.481 39.495 39.000 0.024 0.000 1.115 432 F HN 0.343 nan 8.300 nan 0.000 0.526 433 N N 1.318 120.121 118.700 0.172 0.000 2.475 433 N HA 0.088 4.828 4.740 0.001 0.000 0.267 433 N C 0.552 176.131 175.510 0.116 0.000 1.169 433 N CA 0.150 53.266 53.050 0.111 0.000 0.947 433 N CB 0.809 39.338 38.487 0.070 0.000 1.061 433 N HN 0.724 nan 8.380 nan 0.000 0.466 434 T N -0.450 114.159 114.554 0.092 0.000 3.043 434 T HA 0.305 4.656 4.350 0.001 0.000 0.272 434 T C 1.391 176.123 174.700 0.053 0.000 0.990 434 T CA 0.133 62.281 62.100 0.080 0.000 0.897 434 T CB 0.085 69.004 68.868 0.086 0.000 1.111 434 T HN 0.330 nan 8.240 nan 0.000 0.529 435 A N 2.778 125.623 122.820 0.043 0.000 2.024 435 A HA -0.039 4.282 4.320 0.001 0.000 0.220 435 A C 1.715 179.303 177.584 0.008 0.000 1.164 435 A CA 1.402 53.450 52.037 0.018 0.000 0.643 435 A CB -0.775 18.231 19.000 0.011 0.000 0.806 435 A HN 0.670 nan 8.150 nan 0.000 0.451 436 N N 0.185 118.898 118.700 0.021 0.000 2.279 436 N HA 0.131 4.872 4.740 0.001 0.000 0.226 436 N C -0.837 174.688 175.510 0.025 0.000 1.126 436 N CA -0.309 52.750 53.050 0.016 0.000 0.846 436 N CB 0.365 38.863 38.487 0.018 0.000 1.050 436 N HN 0.329 nan 8.380 nan 0.000 0.502 437 D N 0.727 121.146 120.400 0.031 0.000 2.369 437 D HA -0.055 4.585 4.640 0.001 0.000 0.241 437 D C 0.142 176.460 176.300 0.030 0.000 1.271 437 D CA 0.168 54.196 54.000 0.048 0.000 0.942 437 D CB 0.427 41.260 40.800 0.054 0.000 1.129 437 D HN 0.109 nan 8.370 nan 0.000 0.476 438 D N -0.098 120.338 120.400 0.060 0.000 2.450 438 D HA -0.045 4.596 4.640 0.001 0.000 0.247 438 D C -0.132 176.122 176.300 -0.075 0.000 1.162 438 D CA 0.434 54.450 54.000 0.027 0.000 0.879 438 D CB 0.198 41.076 40.800 0.129 0.000 1.163 438 D HN 0.285 nan 8.370 nan 0.000 0.472 439 N N 1.939 120.591 118.700 -0.079 0.000 2.171 439 N HA 0.034 4.775 4.740 0.001 0.000 0.212 439 N C 0.942 176.370 175.510 -0.138 0.000 1.184 439 N CA -0.136 52.844 53.050 -0.117 0.000 0.888 439 N CB 1.111 39.540 38.487 -0.097 0.000 1.038 439 N HN 0.323 nan 8.380 nan 0.000 0.517 440 V N -5.032 114.813 119.914 -0.115 0.000 3.431 440 V HA 0.200 4.321 4.120 0.001 0.000 0.255 440 V C 1.753 177.799 176.094 -0.080 0.000 1.403 440 V CA 0.202 62.449 62.300 -0.088 0.000 1.101 440 V CB 0.062 31.866 31.823 -0.033 0.000 0.891 440 V HN -0.079 nan 8.190 nan 0.000 0.446 441 T N 1.122 115.634 114.554 -0.070 0.000 2.607 441 T HA -0.258 4.093 4.350 0.001 0.000 0.267 441 T C 1.903 176.562 174.700 -0.068 0.000 1.049 441 T CA 2.748 64.842 62.100 -0.010 0.000 1.162 441 T CB -0.416 68.529 68.868 0.129 0.000 0.863 441 T HN 0.604 nan 8.240 nan 0.000 0.424 442 Q N 0.233 119.878 119.800 -0.258 0.000 2.224 442 Q HA -0.041 4.300 4.340 0.001 0.000 0.203 442 Q C 2.541 178.339 176.000 -0.336 0.000 0.970 442 Q CA 0.849 56.474 55.803 -0.297 0.000 0.865 442 Q CB -0.283 28.167 28.738 -0.480 0.000 0.922 442 Q HN 0.408 nan 8.270 nan 0.000 0.445 443 V N 0.602 120.279 119.914 -0.394 0.000 2.358 443 V HA -0.251 3.870 4.120 0.001 0.000 0.246 443 V C 2.263 178.471 176.094 0.189 0.000 1.047 443 V CA 1.927 64.150 62.300 -0.130 0.000 1.035 443 V CB -0.571 31.215 31.823 -0.061 0.000 0.658 443 V HN 0.285 nan 8.190 nan 0.000 0.452 444 R N 0.752 121.334 120.500 0.137 0.000 2.081 444 R HA -0.125 4.216 4.340 0.001 0.000 0.235 444 R C 2.258 178.678 176.300 0.201 0.000 1.131 444 R CA 1.610 57.835 56.100 0.208 0.000 0.960 444 R CB -0.515 29.890 30.300 0.175 0.000 0.856 444 R HN 0.460 nan 8.270 nan 0.000 0.436 445 A N 0.059 122.975 122.820 0.160 0.000 2.019 445 A HA -0.169 4.151 4.320 0.001 0.000 0.219 445 A C 1.913 179.622 177.584 0.209 0.000 1.164 445 A CA 1.177 53.308 52.037 0.157 0.000 0.644 445 A CB -0.688 18.399 19.000 0.145 0.000 0.805 445 A HN 0.547 nan 8.150 nan 0.000 0.449 446 F N -1.182 118.849 119.950 0.135 0.000 2.098 446 F HA -0.078 4.449 4.527 0.001 0.000 0.294 446 F C 2.091 177.961 175.800 0.115 0.000 1.107 446 F CA 1.511 59.622 58.000 0.185 0.000 1.234 446 F CB -0.701 38.507 39.000 0.347 0.000 1.002 446 F HN 0.335 nan 8.300 nan 0.000 0.472 447 Y N 0.233 120.495 120.300 -0.063 0.000 2.145 447 Y HA -0.209 4.342 4.550 0.001 0.000 0.286 447 Y C 2.151 177.869 175.900 -0.303 0.000 1.145 447 Y CA 2.376 60.299 58.100 -0.296 0.000 1.148 447 Y CB -0.469 37.846 38.460 -0.242 0.000 0.981 447 Y HN -0.046 nan 8.280 nan 0.000 0.507 448 V N 0.410 120.256 119.914 -0.114 0.000 2.331 448 V HA -0.244 3.876 4.120 0.001 0.000 0.242 448 V C 1.499 177.493 176.094 -0.167 0.000 1.034 448 V CA 2.360 64.555 62.300 -0.175 0.000 1.027 448 V CB -0.685 31.122 31.823 -0.028 0.000 0.667 448 V HN 0.433 nan 8.190 nan 0.000 0.457 449 N N 0.010 118.660 118.700 -0.083 0.000 2.305 449 N HA -0.049 4.692 4.740 0.001 0.000 0.179 449 N C 1.672 177.128 175.510 -0.090 0.000 1.019 449 N CA 0.873 53.887 53.050 -0.059 0.000 0.869 449 N CB -0.028 38.466 38.487 0.013 0.000 1.000 449 N HN 0.234 nan 8.380 nan 0.000 0.431 450 V N 1.766 121.614 119.914 -0.110 0.000 2.379 450 V HA -0.031 4.089 4.120 0.001 0.000 0.245 450 V C 1.035 176.973 176.094 -0.261 0.000 1.044 450 V CA 1.058 63.279 62.300 -0.132 0.000 1.036 450 V CB -0.371 31.427 31.823 -0.043 0.000 0.664 450 V HN 0.195 nan 8.190 nan 0.000 0.453 451 L N 1.091 122.051 121.223 -0.439 0.000 2.399 451 L HA 0.379 4.720 4.340 0.001 0.000 0.265 451 L C 0.106 176.770 176.870 -0.343 0.000 1.089 451 L CA -0.479 54.099 54.840 -0.436 0.000 0.802 451 L CB 1.025 42.710 42.059 -0.623 0.000 1.180 451 L HN 0.400 nan 8.230 nan 0.000 0.454 452 N N -0.663 117.877 118.700 -0.267 0.000 2.563 452 N HA 0.157 4.897 4.740 0.001 0.000 0.288 452 N C 0.364 175.738 175.510 -0.226 0.000 1.246 452 N CA -0.690 52.233 53.050 -0.211 0.000 0.946 452 N CB 0.506 38.911 38.487 -0.137 0.000 1.213 452 N HN 0.345 nan 8.380 nan 0.000 0.578 453 E N 0.190 120.290 120.200 -0.168 0.000 2.077 453 E HA -0.170 4.180 4.350 0.001 0.000 0.193 453 E C 1.151 177.694 176.600 -0.093 0.000 0.989 453 E CA 1.265 57.583 56.400 -0.138 0.000 0.800 453 E CB -0.200 29.445 29.700 -0.092 0.000 0.746 453 E HN 0.692 nan 8.360 nan 0.000 0.452 454 E N 0.516 120.671 120.200 -0.076 0.000 2.038 454 E HA -0.222 4.129 4.350 0.001 0.000 0.195 454 E C 2.242 178.812 176.600 -0.050 0.000 1.000 454 E CA 1.182 57.556 56.400 -0.044 0.000 0.803 454 E CB -0.135 29.541 29.700 -0.040 0.000 0.750 454 E HN 0.316 nan 8.360 nan 0.000 0.448 455 Q N 0.328 120.075 119.800 -0.089 0.000 2.084 455 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 455 Q C 2.218 178.150 176.000 -0.113 0.000 0.978 455 Q CA 1.201 56.947 55.803 -0.096 0.000 0.844 455 Q CB -0.094 28.560 28.738 -0.139 0.000 0.898 455 Q HN 0.168 nan 8.270 nan 0.000 0.426 456 R N 0.642 121.025 120.500 -0.196 0.000 2.081 456 R HA -0.117 4.224 4.340 0.001 0.000 0.235 456 R C 2.268 178.552 176.300 -0.026 0.000 1.131 456 R CA 1.239 57.213 56.100 -0.210 0.000 0.960 456 R CB -0.186 29.857 30.300 -0.428 0.000 0.856 456 R HN 0.128 nan 8.270 nan 0.000 0.436 457 K N 1.036 121.443 120.400 0.013 0.000 2.026 457 K HA -0.173 4.147 4.320 0.001 0.000 0.208 457 K C 2.152 178.751 176.600 -0.001 0.000 1.048 457 K CA 1.432 57.763 56.287 0.073 0.000 0.929 457 K CB 0.020 32.589 32.500 0.115 0.000 0.713 457 K HN 0.034 nan 8.250 nan 0.000 0.439 458 R N 0.328 120.837 120.500 0.014 0.000 2.081 458 R HA -0.138 4.202 4.340 0.001 0.000 0.235 458 R C 2.408 178.746 176.300 0.064 0.000 1.131 458 R CA 1.314 57.436 56.100 0.037 0.000 0.960 458 R CB -0.369 29.954 30.300 0.039 0.000 0.856 458 R HN 0.207 nan 8.270 nan 0.000 0.436 459 L N 0.451 121.713 121.223 0.065 0.000 2.012 459 L HA -0.225 4.115 4.340 0.001 0.000 0.210 459 L C 2.014 178.938 176.870 0.090 0.000 1.073 459 L CA 1.800 56.721 54.840 0.135 0.000 0.748 459 L CB -0.672 41.469 42.059 0.136 0.000 0.891 459 L HN 0.199 nan 8.230 nan 0.000 0.431 460 C N -0.136 119.156 119.300 -0.014 0.000 2.425 460 C HA -0.106 4.354 4.460 0.001 0.000 0.277 460 C C 2.538 177.446 174.990 -0.137 0.000 1.280 460 C CA 0.886 59.821 59.018 -0.137 0.000 1.744 460 C CB -1.049 26.476 27.740 -0.358 0.000 1.989 460 C HN 0.607 nan 8.230 nan 0.000 0.491 461 E N 1.012 121.166 120.200 -0.077 0.000 2.106 461 E HA -0.143 4.207 4.350 0.001 0.000 0.192 461 E C 1.817 178.480 176.600 0.105 0.000 0.984 461 E CA 0.897 57.316 56.400 0.030 0.000 0.806 461 E CB -0.174 29.557 29.700 0.051 0.000 0.750 461 E HN 0.602 nan 8.360 nan 0.000 0.458 462 N N 0.964 119.747 118.700 0.139 0.000 2.084 462 N HA -0.120 4.620 4.740 0.001 0.000 0.190 462 N C 1.935 177.585 175.510 0.233 0.000 1.030 462 N CA 0.959 54.176 53.050 0.278 0.000 0.849 462 N CB -0.210 38.532 38.487 0.425 0.000 1.012 462 N HN 0.165 nan 8.380 nan 0.000 0.423 463 I N 1.140 121.673 120.570 -0.063 0.000 2.113 463 I HA -0.250 3.921 4.170 0.001 0.000 0.238 463 I C 2.337 178.300 176.117 -0.257 0.000 1.070 463 I CA 1.202 62.212 61.300 -0.483 0.000 1.332 463 I CB -0.426 37.240 38.000 -0.558 0.000 1.044 463 I HN 0.062 nan 8.210 nan 0.000 0.402 464 A N 1.014 123.741 122.820 -0.156 0.000 1.940 464 A HA -0.171 4.150 4.320 0.001 0.000 0.219 464 A C 2.426 179.965 177.584 -0.074 0.000 1.176 464 A CA 1.990 53.995 52.037 -0.052 0.000 0.631 464 A CB -1.527 17.561 19.000 0.147 0.000 0.814 464 A HN 0.505 nan 8.150 nan 0.000 0.446 465 G N -1.805 106.963 108.800 -0.054 0.000 2.450 465 G HA2 -0.305 3.655 3.960 0.001 0.000 0.220 465 G HA3 -0.305 3.655 3.960 0.001 0.000 0.220 465 G C 1.622 176.451 174.900 -0.118 0.000 1.130 465 G CA 1.325 46.279 45.100 -0.244 0.000 0.760 465 G HN 0.751 nan 8.290 nan 0.000 0.557 466 H N -0.526 118.542 119.070 -0.003 0.000 2.418 466 H HA 0.126 4.682 4.556 0.001 0.000 0.300 466 H C 2.390 177.752 175.328 0.056 0.000 1.041 466 H CA 0.664 56.799 56.048 0.146 0.000 1.364 466 H CB 0.088 30.141 29.762 0.486 0.000 1.439 466 H HN 0.207 nan 8.280 nan 0.000 0.540 467 L N 2.795 123.918 121.223 -0.167 0.000 2.265 467 L HA -0.157 4.184 4.340 0.001 0.000 0.215 467 L C 2.339 178.965 176.870 -0.407 0.000 1.117 467 L CA 1.844 56.286 54.840 -0.663 0.000 0.782 467 L CB -0.573 40.867 42.059 -1.032 0.000 0.914 467 L HN 0.309 nan 8.230 nan 0.000 0.441 468 K N -1.801 118.433 120.400 -0.277 0.000 2.281 468 K HA -0.136 4.184 4.320 0.001 0.000 0.203 468 K C 1.185 177.685 176.600 -0.167 0.000 1.046 468 K CA 1.752 57.927 56.287 -0.186 0.000 0.938 468 K CB -0.451 31.922 32.500 -0.212 0.000 0.737 468 K HN 0.312 nan 8.250 nan 0.000 0.458 469 D N 0.739 121.018 120.400 -0.202 0.000 2.340 469 D HA 0.116 4.757 4.640 0.001 0.000 0.220 469 D C 0.265 176.493 176.300 -0.120 0.000 1.039 469 D CA 0.362 54.271 54.000 -0.151 0.000 0.866 469 D CB 0.425 41.127 40.800 -0.164 0.000 0.913 469 D HN 0.426 nan 8.370 nan 0.000 0.523 470 A N 0.512 123.249 122.820 -0.139 0.000 2.271 470 A HA 0.299 4.620 4.320 0.001 0.000 0.288 470 A C 0.515 178.027 177.584 -0.120 0.000 1.094 470 A CA -0.444 51.529 52.037 -0.107 0.000 0.828 470 A CB 0.824 19.767 19.000 -0.095 0.000 1.091 470 A HN -0.041 nan 8.150 nan 0.000 0.493 471 Q N -0.050 119.670 119.800 -0.134 0.000 2.421 471 Q HA 0.075 4.416 4.340 0.001 0.000 0.255 471 Q C 0.904 176.821 176.000 -0.138 0.000 1.013 471 Q CA -0.548 55.199 55.803 -0.094 0.000 0.895 471 Q CB 0.450 29.174 28.738 -0.023 0.000 1.271 471 Q HN 0.645 nan 8.270 nan 0.000 0.460 472 I N 1.675 122.235 120.570 -0.016 0.000 2.194 472 I HA -0.308 3.862 4.170 0.001 0.000 0.246 472 I C 2.119 178.246 176.117 0.016 0.000 1.093 472 I CA 1.653 62.955 61.300 0.002 0.000 1.355 472 I CB -1.192 36.840 38.000 0.053 0.000 1.046 472 I HN 0.751 nan 8.210 nan 0.000 0.413 473 F N 1.076 121.029 119.950 0.005 0.000 2.216 473 F HA -0.104 4.424 4.527 0.001 0.000 0.300 473 F C 2.269 178.081 175.800 0.020 0.000 1.085 473 F CA 1.228 59.234 58.000 0.010 0.000 1.326 473 F CB -1.097 37.910 39.000 0.012 0.000 1.027 473 F HN -0.067 nan 8.300 nan 0.000 0.497 474 I N 0.486 120.586 120.570 -0.784 0.000 2.406 474 I HA -0.194 3.977 4.170 0.001 0.000 0.249 474 I C 2.510 178.501 176.117 -0.211 0.000 1.122 474 I CA 1.015 61.988 61.300 -0.545 0.000 1.431 474 I CB -0.650 37.018 38.000 -0.553 0.000 1.087 474 I HN 0.245 nan 8.210 nan 0.000 0.424 475 Q N 0.781 120.460 119.800 -0.200 0.000 2.061 475 Q HA -0.211 4.129 4.340 0.001 0.000 0.204 475 Q C 2.201 178.150 176.000 -0.085 0.000 0.984 475 Q CA 1.266 56.973 55.803 -0.160 0.000 0.846 475 Q CB -0.061 28.594 28.738 -0.138 0.000 0.902 475 Q HN 0.312 nan 8.270 nan 0.000 0.421 476 K N 0.999 121.375 120.400 -0.039 0.000 2.057 476 K HA -0.142 4.178 4.320 0.001 0.000 0.207 476 K C 1.924 178.526 176.600 0.004 0.000 1.049 476 K CA 1.165 57.452 56.287 -0.001 0.000 0.931 476 K CB -0.318 32.203 32.500 0.035 0.000 0.714 476 K HN -0.022 nan 8.250 nan 0.000 0.440 477 K N 1.227 121.634 120.400 0.012 0.000 2.026 477 K HA -0.050 4.271 4.320 0.001 0.000 0.208 477 K C 1.952 178.542 176.600 -0.017 0.000 1.048 477 K CA 1.563 57.859 56.287 0.015 0.000 0.929 477 K CB -0.555 31.971 32.500 0.044 0.000 0.713 477 K HN 0.097 nan 8.250 nan 0.000 0.439 478 A N 0.028 122.843 122.820 -0.007 0.000 1.883 478 A HA -0.144 4.176 4.320 0.001 0.000 0.217 478 A C 2.343 179.914 177.584 -0.021 0.000 1.186 478 A CA 2.052 54.080 52.037 -0.015 0.000 0.624 478 A CB -0.934 18.085 19.000 0.032 0.000 0.822 478 A HN 0.135 nan 8.150 nan 0.000 0.444 479 V N 0.203 120.149 119.914 0.053 0.000 2.490 479 V HA -0.268 3.852 4.120 0.001 0.000 0.250 479 V C 2.516 178.629 176.094 0.030 0.000 1.061 479 V CA 2.372 64.731 62.300 0.099 0.000 1.064 479 V CB -0.674 31.164 31.823 0.026 0.000 0.670 479 V HN 0.700 nan 8.190 nan 0.000 0.461 480 K N 0.302 120.692 120.400 -0.018 0.000 2.057 480 K HA -0.212 4.109 4.320 0.001 0.000 0.207 480 K C 2.029 178.582 176.600 -0.077 0.000 1.049 480 K CA 1.813 58.080 56.287 -0.034 0.000 0.931 480 K CB -0.134 32.350 32.500 -0.027 0.000 0.714 480 K HN 0.453 nan 8.250 nan 0.000 0.440 481 N N 0.248 118.853 118.700 -0.158 0.000 2.106 481 N HA -0.135 4.606 4.740 0.001 0.000 0.188 481 N C 1.641 176.980 175.510 -0.285 0.000 1.029 481 N CA 1.224 54.121 53.050 -0.254 0.000 0.848 481 N CB -0.444 37.810 38.487 -0.388 0.000 1.007 481 N HN 0.132 nan 8.380 nan 0.000 0.423 482 F N 1.476 121.285 119.950 -0.235 0.000 2.216 482 F HA -0.065 4.463 4.527 0.001 0.000 0.300 482 F C 2.469 178.101 175.800 -0.279 0.000 1.085 482 F CA 0.871 58.601 58.000 -0.451 0.000 1.326 482 F CB -1.031 37.568 39.000 -0.669 0.000 1.027 482 F HN 0.005 nan 8.300 nan 0.000 0.497 483 T N -0.745 113.814 114.554 0.010 0.000 2.821 483 T HA -0.152 4.199 4.350 0.001 0.000 0.267 483 T C 1.755 176.454 174.700 -0.002 0.000 1.046 483 T CA 1.309 63.415 62.100 0.011 0.000 1.139 483 T CB -0.243 68.626 68.868 0.001 0.000 0.871 483 T HN 0.331 nan 8.240 nan 0.000 0.454 484 E N 0.431 120.617 120.200 -0.024 0.000 2.268 484 E HA -0.062 4.288 4.350 0.001 0.000 0.195 484 E C 2.189 178.795 176.600 0.011 0.000 0.995 484 E CA 0.567 56.954 56.400 -0.020 0.000 0.836 484 E CB -0.072 29.603 29.700 -0.043 0.000 0.763 484 E HN 0.299 nan 8.360 nan 0.000 0.491 485 V N -0.232 119.707 119.914 0.042 0.000 2.283 485 V HA -0.120 4.001 4.120 0.001 0.000 0.243 485 V C 0.627 176.841 176.094 0.199 0.000 1.039 485 V CA 1.477 63.854 62.300 0.129 0.000 1.016 485 V CB -0.235 31.728 31.823 0.233 0.000 0.650 485 V HN 0.264 nan 8.190 nan 0.000 0.449 486 H N -2.116 116.993 119.070 0.065 0.000 3.123 486 H HA 0.298 4.855 4.556 0.001 0.000 0.346 486 H C -2.452 172.901 175.328 0.040 0.000 1.138 486 H CA -1.053 55.022 56.048 0.045 0.000 1.273 486 H CB 2.327 32.091 29.762 0.003 0.000 1.926 486 H HN -0.166 nan 8.280 nan 0.000 0.524 487 P HA -0.174 nan 4.420 nan 0.000 0.215 487 P C 1.005 178.368 177.300 0.105 0.000 1.157 487 P CA 1.754 64.827 63.100 -0.045 0.000 0.874 487 P CB 0.288 31.910 31.700 -0.131 0.000 0.790 488 D N -2.033 118.536 120.400 0.282 0.000 2.218 488 D HA -0.203 4.437 4.640 0.001 0.000 0.204 488 D C 1.823 178.313 176.300 0.317 0.000 0.976 488 D CA 0.979 55.188 54.000 0.348 0.000 0.853 488 D CB -0.697 40.408 40.800 0.508 0.000 0.939 488 D HN 0.229 nan 8.370 nan 0.000 0.481 489 Y N -0.179 120.118 120.300 -0.005 0.000 2.133 489 Y HA -0.090 4.460 4.550 0.001 0.000 0.287 489 Y C 2.307 178.149 175.900 -0.095 0.000 1.134 489 Y CA 1.100 59.036 58.100 -0.274 0.000 1.133 489 Y CB -0.085 38.011 38.460 -0.606 0.000 0.987 489 Y HN 0.095 nan 8.280 nan 0.000 0.502 490 G N -0.632 108.228 108.800 0.100 0.000 2.403 490 G HA2 -0.276 3.684 3.960 0.001 0.000 0.216 490 G HA3 -0.276 3.684 3.960 0.001 0.000 0.216 490 G C 1.755 176.686 174.900 0.051 0.000 1.154 490 G CA 0.959 46.076 45.100 0.028 0.000 0.784 490 G HN 0.512 nan 8.290 nan 0.000 0.538 491 S N -0.004 115.749 115.700 0.089 0.000 2.368 491 S HA -0.197 4.273 4.470 0.001 0.000 0.225 491 S C 2.161 176.836 174.600 0.126 0.000 1.030 491 S CA 1.634 59.883 58.200 0.082 0.000 0.999 491 S CB -0.660 62.584 63.200 0.072 0.000 0.844 491 S HN 0.409 nan 8.310 nan 0.000 0.459 492 H N 1.933 121.030 119.070 0.044 0.000 2.357 492 H HA 0.193 4.750 4.556 0.001 0.000 0.301 492 H C 1.852 177.178 175.328 -0.003 0.000 1.082 492 H CA 1.559 57.628 56.048 0.035 0.000 1.342 492 H CB -0.582 29.229 29.762 0.083 0.000 1.389 492 H HN 0.481 nan 8.280 nan 0.000 0.511 493 I N 0.083 120.671 120.570 0.029 0.000 2.252 493 I HA -0.245 3.925 4.170 0.001 0.000 0.245 493 I C 2.520 178.602 176.117 -0.058 0.000 1.102 493 I CA 1.373 62.606 61.300 -0.111 0.000 1.385 493 I CB -0.209 37.637 38.000 -0.257 0.000 1.064 493 I HN 0.238 nan 8.210 nan 0.000 0.414 494 Q N 1.378 121.167 119.800 -0.020 0.000 2.124 494 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 494 Q C 2.148 178.144 176.000 -0.007 0.000 0.977 494 Q CA 2.192 57.987 55.803 -0.014 0.000 0.850 494 Q CB -0.297 28.441 28.738 -0.000 0.000 0.901 494 Q HN 0.485 nan 8.270 nan 0.000 0.429 495 A N -0.138 122.695 122.820 0.021 0.000 1.933 495 A HA -0.099 4.222 4.320 0.001 0.000 0.218 495 A C 2.067 179.627 177.584 -0.040 0.000 1.175 495 A CA 1.295 53.338 52.037 0.011 0.000 0.628 495 A CB -0.615 18.416 19.000 0.051 0.000 0.814 495 A HN 0.445 nan 8.150 nan 0.000 0.444 496 L N -0.842 120.352 121.223 -0.049 0.000 2.072 496 L HA -0.097 4.244 4.340 0.001 0.000 0.205 496 L C 2.517 179.248 176.870 -0.233 0.000 1.079 496 L CA 0.739 55.460 54.840 -0.197 0.000 0.752 496 L CB -0.450 41.524 42.059 -0.141 0.000 0.906 496 L HN 0.354 nan 8.230 nan 0.000 0.436 497 L N -0.413 120.785 121.223 -0.041 0.000 2.046 497 L HA -0.240 4.101 4.340 0.001 0.000 0.208 497 L C 2.244 179.114 176.870 0.001 0.000 1.077 497 L CA 1.093 55.962 54.840 0.048 0.000 0.747 497 L CB -0.629 41.430 42.059 -0.001 0.000 0.896 497 L HN 0.284 nan 8.230 nan 0.000 0.432 498 D N 0.012 120.390 120.400 -0.036 0.000 2.158 498 D HA -0.230 4.411 4.640 0.001 0.000 0.197 498 D C 2.081 178.351 176.300 -0.051 0.000 0.995 498 D CA 1.265 55.245 54.000 -0.032 0.000 0.846 498 D CB -0.031 40.750 40.800 -0.032 0.000 0.941 498 D HN 0.259 nan 8.370 nan 0.000 0.456 499 K N -0.450 119.876 120.400 -0.123 0.000 2.001 499 K HA -0.147 4.174 4.320 0.001 0.000 0.208 499 K C 2.145 178.676 176.600 -0.116 0.000 1.048 499 K CA 0.850 57.037 56.287 -0.167 0.000 0.932 499 K CB -0.152 32.172 32.500 -0.294 0.000 0.715 499 K HN 0.066 nan 8.250 nan 0.000 0.437 500 Y N 1.268 121.557 120.300 -0.018 0.000 2.256 500 Y HA -0.119 4.431 4.550 0.001 0.000 0.288 500 Y C 1.085 176.972 175.900 -0.023 0.000 1.155 500 Y CA 0.880 58.967 58.100 -0.022 0.000 1.203 500 Y CB -0.800 37.639 38.460 -0.034 0.000 0.980 500 Y HN 0.191 nan 8.280 nan 0.000 0.530 501 N N 0.000 118.772 118.700 0.120 0.000 1.763 501 N HA 0.000 4.741 4.740 0.001 0.000 0.220 501 N CA 0.000 53.086 53.050 0.060 0.000 0.885 501 N CB 0.000 38.507 38.487 0.034 0.000 1.341 501 N HN 0.000 nan 8.380 nan 0.000 0.667