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 2vz7_1_A DATA FIRST_RESID 12 DATA SEQUENCE PPVLDLGALG QDFAADPYPT YARLRAEGPA HRVRTPEGNE VWLVVGYDRA DATA SEQUENCE RAVLADPRFS KDWRNSTTPL TEAEAALNHN MLESDPPRHT RLRKLVAREF DATA SEQUENCE TMRRVELLRP RVQEIVDGLV DAMLAAPDGR ADLMESLAWP LPITVISELL DATA SEQUENCE GVPEPDRAAF RVWTDAFVFP DDPAQAQTAM AEMSGYLSRL IDSKRGQDGE DATA SEQUENCE DLLSALVRTS DEDGSRLTSE ELLGMAHILL VAGHETTVNL IANGMYALLS DATA SEQUENCE HPDQLAALRA DMTLLDGAVE EMLRYEGPVE SATYRFPVEP VDLDGTVIPA DATA SEQUENCE GDTVLVVLAD AHRTPERFPD PHRFDIRRDT AGHLAFGHGI HFCIGAPLAR DATA SEQUENCE LEARIAVRAL LERCPDLALD VSPGELVWYP NPMIRGLKAL PIRWRR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.274 177.300 -0.044 0.000 1.155 12 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 12 P CB 0.000 31.683 31.700 -0.028 0.000 0.726 13 P HA 0.271 nan 4.420 nan 0.000 0.226 13 P C -0.004 177.249 177.300 -0.078 0.000 1.146 13 P CA 1.235 64.302 63.100 -0.056 0.000 0.773 13 P CB -0.068 31.601 31.700 -0.052 0.000 0.772 14 V N -1.193 118.664 119.914 -0.095 0.000 3.148 14 V HA -0.148 3.972 4.120 0.000 0.000 0.443 14 V C -0.200 175.822 176.094 -0.120 0.000 0.681 14 V CA -0.851 61.374 62.300 -0.125 0.000 1.967 14 V CB -1.242 30.497 31.823 -0.139 0.000 2.445 14 V HN 0.192 nan 8.190 nan 0.000 0.490 15 L N 5.228 126.373 121.223 -0.129 0.000 2.628 15 L HA 0.171 4.511 4.340 0.000 0.000 0.274 15 L C 0.666 177.442 176.870 -0.156 0.000 1.209 15 L CA 0.985 55.739 54.840 -0.143 0.000 0.930 15 L CB 0.776 42.740 42.059 -0.157 0.000 1.183 15 L HN 0.907 nan 8.230 nan 0.000 0.492 16 D N 5.572 125.877 120.400 -0.158 0.000 2.380 16 D HA 0.099 4.740 4.640 0.000 0.000 0.230 16 D C 1.213 177.371 176.300 -0.238 0.000 1.154 16 D CA -0.331 53.572 54.000 -0.161 0.000 0.859 16 D CB 0.836 41.563 40.800 -0.122 0.000 1.045 16 D HN 0.636 nan 8.370 nan 0.000 0.495 17 L N 3.435 124.485 121.223 -0.288 0.000 2.027 17 L HA -0.023 4.317 4.340 0.000 0.000 0.206 17 L C 2.593 179.243 176.870 -0.367 0.000 1.074 17 L CA 1.158 55.702 54.840 -0.494 0.000 0.745 17 L CB -0.573 41.204 42.059 -0.470 0.000 0.898 17 L HN 0.486 nan 8.230 nan 0.000 0.433 18 G N 0.423 109.099 108.800 -0.207 0.000 2.672 18 G HA2 -0.343 3.617 3.960 0.000 0.000 0.218 18 G HA3 -0.343 3.617 3.960 0.000 0.000 0.218 18 G C 1.019 175.839 174.900 -0.132 0.000 1.238 18 G CA 0.774 45.790 45.100 -0.140 0.000 0.791 18 G HN 0.478 nan 8.290 nan 0.000 0.606 19 A N -0.536 122.211 122.820 -0.122 0.000 3.048 19 A HA 0.576 4.896 4.320 0.000 0.000 0.264 19 A C 0.636 178.143 177.584 -0.128 0.000 1.796 19 A CA 0.003 51.981 52.037 -0.099 0.000 1.445 19 A CB -0.113 18.840 19.000 -0.078 0.000 1.074 19 A HN 0.508 nan 8.150 nan 0.000 0.621 20 L N -0.296 120.843 121.223 -0.141 0.000 3.520 20 L HA 0.473 4.813 4.340 0.000 0.000 0.323 20 L C 0.525 177.361 176.870 -0.057 0.000 1.246 20 L CA 1.297 56.047 54.840 -0.151 0.000 1.085 20 L CB 0.093 41.951 42.059 -0.336 0.000 1.477 20 L HN 1.119 nan 8.230 nan 0.000 0.624 21 G N 0.292 109.073 108.800 -0.032 0.000 2.712 21 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 21 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 21 G C -0.120 174.803 174.900 0.039 0.000 1.181 21 G CA -0.144 44.960 45.100 0.006 0.000 0.762 21 G HN 0.229 nan 8.290 nan 0.000 0.641 22 Q N 0.483 120.298 119.800 0.025 0.000 2.515 22 Q HA 0.139 4.479 4.340 0.000 0.000 0.214 22 Q C 1.610 177.638 176.000 0.046 0.000 0.971 22 Q CA 1.596 57.416 55.803 0.029 0.000 0.952 22 Q CB 0.086 28.833 28.738 0.015 0.000 0.999 22 Q HN 0.789 nan 8.270 nan 0.000 0.524 23 D N -1.056 119.373 120.400 0.047 0.000 2.367 23 D HA -0.101 4.539 4.640 0.000 0.000 0.207 23 D C 1.015 177.306 176.300 -0.015 0.000 1.034 23 D CA -0.281 53.734 54.000 0.025 0.000 0.861 23 D CB -0.430 40.384 40.800 0.023 0.000 0.943 23 D HN 0.261 nan 8.370 nan 0.000 0.515 24 F N 1.546 121.428 119.950 -0.113 0.000 2.502 24 F HA 0.288 4.815 4.527 0.000 0.000 0.298 24 F C 1.987 177.670 175.800 -0.194 0.000 1.111 24 F CA 0.716 58.609 58.000 -0.178 0.000 1.445 24 F CB 0.110 39.004 39.000 -0.177 0.000 1.081 24 F HN 0.052 nan 8.300 nan 0.000 0.558 25 A N -0.430 122.292 122.820 -0.163 0.000 2.095 25 A HA 0.368 4.688 4.320 0.000 0.000 0.212 25 A C 2.207 179.613 177.584 -0.296 0.000 1.162 25 A CA 0.824 52.755 52.037 -0.178 0.000 0.753 25 A CB -0.924 18.096 19.000 0.033 0.000 0.840 25 A HN 0.384 nan 8.150 nan 0.000 0.468 26 A N -0.431 122.247 122.820 -0.237 0.000 1.844 26 A HA 0.172 4.492 4.320 0.000 0.000 0.212 26 A C 0.703 178.014 177.584 -0.455 0.000 1.221 26 A CA 1.445 53.304 52.037 -0.297 0.000 0.607 26 A CB -0.110 18.899 19.000 0.015 0.000 0.878 26 A HN 0.320 nan 8.150 nan 0.000 0.451 27 D N -1.753 118.480 120.400 -0.277 0.000 2.400 27 D HA 0.427 5.067 4.640 0.000 0.000 0.272 27 D C -2.255 173.875 176.300 -0.285 0.000 1.220 27 D CA -1.597 52.304 54.000 -0.164 0.000 0.897 27 D CB 1.263 42.028 40.800 -0.058 0.000 1.134 27 D HN -0.004 nan 8.370 nan 0.000 0.507 28 P HA -0.118 nan 4.420 nan 0.000 0.217 28 P C 0.921 177.765 177.300 -0.759 0.000 1.151 28 P CA 0.767 63.184 63.100 -1.139 0.000 0.828 28 P CB 0.112 30.871 31.700 -1.568 0.000 0.788 29 Y N -0.044 120.058 120.300 -0.330 0.000 2.073 29 Y HA -0.249 4.301 4.550 0.000 0.000 0.270 29 Y C -0.208 175.668 175.900 -0.040 0.000 1.226 29 Y CA 2.242 60.301 58.100 -0.069 0.000 1.117 29 Y CB -3.006 35.434 38.460 -0.035 0.000 0.939 29 Y HN 0.169 nan 8.280 nan 0.000 0.504 30 P HA -0.145 nan 4.420 nan 0.000 0.216 30 P C 1.577 178.896 177.300 0.031 0.000 1.150 30 P CA 2.467 65.591 63.100 0.040 0.000 0.837 30 P CB -0.121 31.578 31.700 -0.001 0.000 0.786 31 T N -1.939 112.596 114.554 -0.032 0.000 2.777 31 T HA -0.151 4.199 4.350 0.000 0.000 0.266 31 T C 1.566 176.295 174.700 0.047 0.000 1.040 31 T CA 1.290 63.381 62.100 -0.016 0.000 1.141 31 T CB -0.966 67.923 68.868 0.036 0.000 0.868 31 T HN 0.192 nan 8.240 nan 0.000 0.444 32 Y N 1.191 121.547 120.300 0.094 0.000 2.133 32 Y HA -0.066 4.484 4.550 0.000 0.000 0.287 32 Y C 2.927 178.884 175.900 0.096 0.000 1.134 32 Y CA 0.430 58.577 58.100 0.078 0.000 1.133 32 Y CB -0.392 38.077 38.460 0.015 0.000 0.987 32 Y HN 0.179 nan 8.280 nan 0.000 0.502 33 A N 0.773 123.757 122.820 0.273 0.000 1.892 33 A HA -0.294 4.026 4.320 0.000 0.000 0.218 33 A C 2.190 179.869 177.584 0.159 0.000 1.188 33 A CA 2.067 54.233 52.037 0.215 0.000 0.631 33 A CB -0.937 18.192 19.000 0.215 0.000 0.822 33 A HN 0.477 nan 8.150 nan 0.000 0.447 34 R N -0.291 120.279 120.500 0.117 0.000 2.133 34 R HA -0.160 4.180 4.340 0.000 0.000 0.247 34 R C 1.931 178.268 176.300 0.062 0.000 1.151 34 R CA 1.886 58.028 56.100 0.071 0.000 0.971 34 R CB -0.445 29.874 30.300 0.031 0.000 0.866 34 R HN 0.547 nan 8.270 nan 0.000 0.447 35 L N 0.094 121.362 121.223 0.075 0.000 2.044 35 L HA -0.110 4.230 4.340 0.000 0.000 0.205 35 L C 2.952 179.994 176.870 0.286 0.000 1.075 35 L CA 1.294 56.159 54.840 0.041 0.000 0.747 35 L CB -0.612 41.486 42.059 0.065 0.000 0.903 35 L HN 0.274 nan 8.230 nan 0.000 0.435 36 R N 0.519 121.167 120.500 0.247 0.000 2.140 36 R HA -0.277 4.063 4.340 0.000 0.000 0.250 36 R C 2.220 178.623 176.300 0.172 0.000 1.150 36 R CA 1.917 58.140 56.100 0.204 0.000 0.966 36 R CB -0.338 30.063 30.300 0.168 0.000 0.869 36 R HN 0.395 nan 8.270 nan 0.000 0.445 37 A N 0.949 123.857 122.820 0.147 0.000 1.908 37 A HA -0.200 4.120 4.320 0.000 0.000 0.218 37 A C 1.866 179.520 177.584 0.117 0.000 1.181 37 A CA 1.810 53.915 52.037 0.113 0.000 0.627 37 A CB -0.379 18.675 19.000 0.091 0.000 0.818 37 A HN 0.563 nan 8.150 nan 0.000 0.445 38 E N -1.313 118.979 120.200 0.153 0.000 2.230 38 E HA 0.303 4.653 4.350 0.000 0.000 0.192 38 E C 0.956 177.667 176.600 0.185 0.000 0.987 38 E CA 0.370 56.867 56.400 0.162 0.000 0.841 38 E CB 0.063 29.861 29.700 0.164 0.000 0.783 38 E HN 0.604 nan 8.360 nan 0.000 0.481 39 G N 0.230 109.154 108.800 0.207 0.000 2.322 39 G HA2 0.053 4.013 3.960 0.000 0.000 0.295 39 G HA3 0.053 4.013 3.960 0.000 0.000 0.295 39 G C -2.605 172.265 174.900 -0.051 0.000 1.369 39 G CA -0.729 44.408 45.100 0.062 0.000 0.821 39 G HN -0.268 nan 8.290 nan 0.000 0.536 40 P HA 0.218 nan 4.420 nan 0.000 0.217 40 P C 0.849 178.014 177.300 -0.225 0.000 1.154 40 P CA 1.571 64.598 63.100 -0.122 0.000 0.841 40 P CB 0.511 32.163 31.700 -0.079 0.000 0.790 41 A N 0.078 122.722 122.820 -0.294 0.000 2.320 41 A HA 0.676 4.996 4.320 0.000 0.000 0.334 41 A C -0.639 176.703 177.584 -0.403 0.000 1.147 41 A CA -0.336 51.599 52.037 -0.170 0.000 0.820 41 A CB 0.659 19.684 19.000 0.041 0.000 1.218 41 A HN 0.180 nan 8.150 nan 0.000 0.482 42 H N 0.749 120.005 119.070 0.311 0.000 3.086 42 H HA 0.285 4.841 4.556 0.000 0.000 0.353 42 H C -0.929 174.356 175.328 -0.072 0.000 1.134 42 H CA -0.588 55.537 56.048 0.128 0.000 1.248 42 H CB 1.270 31.073 29.762 0.067 0.000 1.878 42 H HN 0.732 nan 8.280 nan 0.000 0.527 43 R N 1.552 121.903 120.500 -0.247 0.000 2.297 43 R HA 0.511 4.851 4.340 0.000 0.000 0.308 43 R C -0.098 176.042 176.300 -0.267 0.000 1.029 43 R CA -0.788 54.961 56.100 -0.585 0.000 0.929 43 R CB 1.468 31.279 30.300 -0.815 0.000 1.046 43 R HN 0.390 nan 8.270 nan 0.000 0.461 44 V N 0.050 119.829 119.914 -0.225 0.000 3.147 44 V HA 0.614 4.734 4.120 0.000 0.000 0.306 44 V C -1.018 175.000 176.094 -0.128 0.000 1.209 44 V CA -1.441 60.774 62.300 -0.142 0.000 1.023 44 V CB 2.235 34.010 31.823 -0.081 0.000 1.059 44 V HN 0.895 nan 8.190 nan 0.000 0.435 45 R N 1.196 121.631 120.500 -0.109 0.000 2.294 45 R HA 0.697 5.038 4.340 0.000 0.000 0.319 45 R C 0.109 176.372 176.300 -0.062 0.000 0.984 45 R CA 0.340 56.395 56.100 -0.075 0.000 0.861 45 R CB 1.495 31.754 30.300 -0.068 0.000 1.104 45 R HN 1.148 nan 8.270 nan 0.000 0.451 46 T N 1.430 115.974 114.554 -0.017 0.000 2.898 46 T HA 0.178 4.528 4.350 0.000 0.000 0.301 46 T C -1.575 173.121 174.700 -0.006 0.000 1.049 46 T CA -1.548 60.557 62.100 0.009 0.000 1.095 46 T CB 0.960 69.872 68.868 0.074 0.000 0.976 46 T HN 0.497 nan 8.240 nan 0.000 0.539 47 P HA -0.060 nan 4.420 nan 0.000 0.220 47 P C 0.833 178.130 177.300 -0.005 0.000 1.144 47 P CA 0.974 64.037 63.100 -0.061 0.000 0.800 47 P CB 0.087 31.718 31.700 -0.115 0.000 0.772 48 E N -1.925 118.313 120.200 0.064 0.000 2.385 48 E HA 0.225 4.576 4.350 0.000 0.000 0.194 48 E C 1.486 178.157 176.600 0.118 0.000 1.013 48 E CA 0.844 57.336 56.400 0.154 0.000 0.866 48 E CB -0.289 29.542 29.700 0.219 0.000 0.832 48 E HN 0.209 nan 8.360 nan 0.000 0.500 49 G N 0.986 109.832 108.800 0.077 0.000 1.742 49 G HA2 -0.234 3.726 3.960 0.000 0.000 0.185 49 G HA3 -0.234 3.726 3.960 0.000 0.000 0.185 49 G C -0.988 173.943 174.900 0.051 0.000 1.174 49 G CA -0.479 44.655 45.100 0.058 0.000 1.276 49 G HN 0.406 nan 8.290 nan 0.000 0.424 50 N N 1.423 120.168 118.700 0.074 0.000 1.747 50 N HA -0.027 4.714 4.740 0.000 0.000 0.351 50 N C -0.494 175.037 175.510 0.036 0.000 1.177 50 N CA 1.191 54.286 53.050 0.075 0.000 0.806 50 N CB 0.162 38.731 38.487 0.138 0.000 0.999 50 N HN 0.540 nan 8.380 nan 0.000 0.512 51 E N 0.608 120.817 120.200 0.014 0.000 2.289 51 E HA 0.285 4.635 4.350 0.000 0.000 0.278 51 E C 0.260 176.833 176.600 -0.045 0.000 1.032 51 E CA -0.581 55.790 56.400 -0.048 0.000 0.854 51 E CB 1.543 31.202 29.700 -0.068 0.000 1.046 51 E HN 0.497 nan 8.360 nan 0.000 0.409 52 V N -0.521 119.330 119.914 -0.106 0.000 3.159 52 V HA 0.623 4.743 4.120 0.000 0.000 0.308 52 V C -1.408 174.606 176.094 -0.134 0.000 1.190 52 V CA -1.183 61.075 62.300 -0.070 0.000 1.037 52 V CB 1.623 33.397 31.823 -0.082 0.000 1.060 52 V HN 0.569 nan 8.190 nan 0.000 0.437 53 W N 1.145 122.416 121.300 -0.048 0.000 2.512 53 W HA 0.838 5.498 4.660 0.000 0.000 0.335 53 W C -0.527 175.968 176.519 -0.040 0.000 1.088 53 W CA -0.590 56.742 57.345 -0.020 0.000 1.236 53 W CB 1.635 31.089 29.460 -0.010 0.000 1.307 53 W HN 0.543 nan 8.180 nan 0.000 0.567 54 L N 3.077 124.443 121.223 0.238 0.000 2.356 54 L HA 0.538 4.878 4.340 0.000 0.000 0.277 54 L C -0.748 176.172 176.870 0.084 0.000 0.996 54 L CA -1.150 53.760 54.840 0.116 0.000 0.822 54 L CB 1.408 43.543 42.059 0.128 0.000 1.256 54 L HN 0.017 nan 8.230 nan 0.000 0.413 55 V N 4.554 124.455 119.914 -0.021 0.000 2.347 55 V HA 0.432 4.552 4.120 0.000 0.000 0.280 55 V C 0.150 176.183 176.094 -0.101 0.000 1.021 55 V CA -0.550 61.704 62.300 -0.076 0.000 0.847 55 V CB 1.793 33.524 31.823 -0.153 0.000 0.990 55 V HN 0.537 nan 8.190 nan 0.000 0.444 56 V N 1.645 121.525 119.914 -0.056 0.000 3.166 56 V HA 1.093 5.213 4.120 0.000 0.000 0.317 56 V C 0.291 176.380 176.094 -0.009 0.000 1.136 56 V CA -0.534 61.743 62.300 -0.037 0.000 1.035 56 V CB 1.296 33.152 31.823 0.056 0.000 1.110 56 V HN 1.609 nan 8.190 nan 0.000 0.450 57 G N -0.251 108.570 108.800 0.034 0.000 3.439 57 G HA2 -0.215 3.746 3.960 0.000 0.000 0.684 57 G HA3 -0.215 3.746 3.960 0.000 0.000 0.684 57 G C -0.483 174.463 174.900 0.076 0.000 1.005 57 G CA 0.309 45.458 45.100 0.081 0.000 0.837 57 G HN 1.848 nan 8.290 nan 0.000 0.470 58 Y N 1.802 122.133 120.300 0.052 0.000 1.929 58 Y HA -0.350 4.200 4.550 0.000 0.000 0.247 58 Y C 2.568 178.479 175.900 0.018 0.000 1.176 58 Y CA 2.869 61.010 58.100 0.068 0.000 1.075 58 Y CB -0.128 38.414 38.460 0.137 0.000 0.907 58 Y HN 0.681 nan 8.280 nan 0.000 0.499 59 D N -0.485 120.035 120.400 0.200 0.000 2.170 59 D HA -0.249 4.392 4.640 0.000 0.000 0.193 59 D C 2.267 178.513 176.300 -0.090 0.000 1.004 59 D CA 2.009 56.048 54.000 0.064 0.000 0.860 59 D CB -0.297 40.570 40.800 0.112 0.000 0.931 59 D HN 0.255 nan 8.370 nan 0.000 0.448 60 R N 0.644 121.096 120.500 -0.080 0.000 2.073 60 R HA 0.051 4.391 4.340 0.000 0.000 0.229 60 R C 2.168 178.350 176.300 -0.197 0.000 1.120 60 R CA 1.243 57.271 56.100 -0.120 0.000 0.967 60 R CB -0.923 29.320 30.300 -0.095 0.000 0.862 60 R HN 0.136 nan 8.270 nan 0.000 0.436 61 A N 0.723 123.410 122.820 -0.223 0.000 1.842 61 A HA -0.280 4.041 4.320 0.000 0.000 0.217 61 A C 2.183 179.593 177.584 -0.290 0.000 1.206 61 A CA 2.023 53.899 52.037 -0.268 0.000 0.630 61 A CB -0.752 18.081 19.000 -0.279 0.000 0.839 61 A HN 0.353 nan 8.150 nan 0.000 0.447 62 R N -0.528 119.728 120.500 -0.406 0.000 2.115 62 R HA -0.202 4.138 4.340 0.000 0.000 0.239 62 R C 2.371 178.588 176.300 -0.138 0.000 1.133 62 R CA 2.030 57.929 56.100 -0.334 0.000 0.935 62 R CB -0.664 29.314 30.300 -0.536 0.000 0.853 62 R HN 0.482 nan 8.270 nan 0.000 0.433 63 A N 0.291 123.019 122.820 -0.153 0.000 1.870 63 A HA -0.243 4.078 4.320 0.000 0.000 0.219 63 A C 2.340 179.850 177.584 -0.123 0.000 1.224 63 A CA 2.417 54.401 52.037 -0.088 0.000 0.650 63 A CB -1.185 17.758 19.000 -0.095 0.000 0.836 63 A HN 0.285 nan 8.150 nan 0.000 0.454 64 V N 0.187 119.948 119.914 -0.255 0.000 2.282 64 V HA -0.332 3.788 4.120 0.000 0.000 0.249 64 V C 2.576 178.446 176.094 -0.373 0.000 1.057 64 V CA 2.180 64.193 62.300 -0.479 0.000 1.032 64 V CB -0.975 30.401 31.823 -0.745 0.000 0.645 64 V HN 0.590 nan 8.190 nan 0.000 0.447 65 L N 0.049 121.126 121.223 -0.243 0.000 2.064 65 L HA -0.291 4.049 4.340 0.000 0.000 0.216 65 L C 2.367 179.187 176.870 -0.083 0.000 1.077 65 L CA 1.994 56.751 54.840 -0.138 0.000 0.766 65 L CB -0.622 41.420 42.059 -0.028 0.000 0.890 65 L HN 0.444 nan 8.230 nan 0.000 0.435 66 A N -1.990 120.800 122.820 -0.050 0.000 2.267 66 A HA -0.020 4.300 4.320 0.000 0.000 0.213 66 A C 0.611 178.174 177.584 -0.034 0.000 1.192 66 A CA -0.165 51.825 52.037 -0.077 0.000 0.851 66 A CB -0.191 18.725 19.000 -0.140 0.000 0.881 66 A HN 0.254 nan 8.150 nan 0.000 0.494 67 D N 0.508 120.896 120.400 -0.020 0.000 2.358 67 D HA 0.218 4.858 4.640 0.000 0.000 0.258 67 D C -1.629 174.752 176.300 0.135 0.000 1.223 67 D CA -1.925 52.117 54.000 0.069 0.000 0.886 67 D CB 1.157 42.032 40.800 0.124 0.000 1.120 67 D HN 0.007 nan 8.370 nan 0.000 0.482 68 P HA -0.134 nan 4.420 nan 0.000 0.216 68 P C 1.073 178.400 177.300 0.046 0.000 1.150 68 P CA 1.108 64.237 63.100 0.048 0.000 0.843 68 P CB 0.188 31.899 31.700 0.017 0.000 0.787 69 R N -1.831 118.694 120.500 0.042 0.000 2.261 69 R HA -0.097 4.243 4.340 0.000 0.000 0.236 69 R C 0.133 176.272 176.300 -0.269 0.000 1.141 69 R CA 0.724 56.758 56.100 -0.109 0.000 1.001 69 R CB -0.652 29.550 30.300 -0.164 0.000 0.866 69 R HN 0.249 nan 8.270 nan 0.000 0.468 70 F N 0.558 120.454 119.950 -0.090 0.000 2.309 70 F HA 0.179 4.707 4.527 0.000 0.000 0.366 70 F C 0.447 176.171 175.800 -0.126 0.000 1.104 70 F CA -0.589 57.337 58.000 -0.123 0.000 1.179 70 F CB 1.075 39.980 39.000 -0.158 0.000 1.437 70 F HN -0.206 nan 8.300 nan 0.000 0.528 71 S N 2.423 118.120 115.700 -0.005 0.000 2.562 71 S HA 0.299 4.769 4.470 0.000 0.000 0.275 71 S C 0.836 175.404 174.600 -0.054 0.000 1.281 71 S CA -0.682 57.517 58.200 -0.001 0.000 1.045 71 S CB 0.810 64.028 63.200 0.031 0.000 0.962 71 S HN 0.677 nan 8.310 nan 0.000 0.503 72 K N 2.184 122.523 120.400 -0.103 0.000 2.410 72 K HA 0.143 4.464 4.320 0.000 0.000 0.200 72 K C -0.310 176.256 176.600 -0.057 0.000 1.023 72 K CA -0.241 55.914 56.287 -0.220 0.000 1.149 72 K CB 0.103 32.406 32.500 -0.328 0.000 0.859 72 K HN 0.526 nan 8.250 nan 0.000 0.514 73 D N 0.094 120.539 120.400 0.075 0.000 2.339 73 D HA 0.001 4.641 4.640 0.000 0.000 0.241 73 D C 0.313 176.708 176.300 0.158 0.000 1.183 73 D CA -0.397 53.677 54.000 0.124 0.000 0.859 73 D CB 0.435 41.299 40.800 0.108 0.000 1.067 73 D HN 0.098 nan 8.370 nan 0.000 0.484 74 W N 3.209 124.598 121.300 0.148 0.000 2.389 74 W HA -0.138 4.522 4.660 0.000 0.000 0.267 74 W C 2.238 178.675 176.519 -0.137 0.000 1.219 74 W CA 0.218 57.551 57.345 -0.019 0.000 1.189 74 W CB -0.051 29.393 29.460 -0.027 0.000 1.129 74 W HN 0.396 nan 8.180 nan 0.000 0.581 75 R N -0.113 120.466 120.500 0.132 0.000 2.189 75 R HA -0.104 4.236 4.340 0.000 0.000 0.223 75 R C 1.220 177.517 176.300 -0.005 0.000 1.092 75 R CA 0.995 57.127 56.100 0.055 0.000 0.989 75 R CB -0.364 29.969 30.300 0.055 0.000 0.876 75 R HN 0.198 nan 8.270 nan 0.000 0.457 76 N N -0.016 118.668 118.700 -0.026 0.000 2.336 76 N HA -0.021 4.719 4.740 0.000 0.000 0.189 76 N C -0.030 175.367 175.510 -0.189 0.000 1.113 76 N CA 0.241 53.260 53.050 -0.050 0.000 0.858 76 N CB 0.750 39.254 38.487 0.028 0.000 0.970 76 N HN -0.037 nan 8.380 nan 0.000 0.471 77 S N 0.008 115.443 115.700 -0.442 0.000 2.541 77 S HA 0.264 4.734 4.470 0.000 0.000 0.283 77 S C 1.090 175.521 174.600 -0.282 0.000 1.196 77 S CA -0.559 57.187 58.200 -0.756 0.000 1.062 77 S CB 0.931 63.160 63.200 -1.618 0.000 1.009 77 S HN 0.300 nan 8.310 nan 0.000 0.502 78 T N 0.743 115.193 114.554 -0.174 0.000 3.163 78 T HA 0.236 4.586 4.350 0.000 0.000 0.252 78 T C 0.270 174.966 174.700 -0.007 0.000 1.056 78 T CA -0.315 61.752 62.100 -0.056 0.000 0.947 78 T CB -0.384 68.473 68.868 -0.018 0.000 1.016 78 T HN 0.479 nan 8.240 nan 0.000 0.554 79 T N 5.452 120.008 114.554 0.005 0.000 2.767 79 T HA 0.465 4.816 4.350 0.000 0.000 0.288 79 T C -2.388 172.375 174.700 0.105 0.000 0.963 79 T CA -1.152 61.017 62.100 0.115 0.000 1.019 79 T CB 1.385 70.424 68.868 0.285 0.000 0.923 79 T HN 0.242 nan 8.240 nan 0.000 0.468 80 P HA 0.316 nan 4.420 nan 0.000 0.275 80 P C -0.988 176.264 177.300 -0.081 0.000 1.228 80 P CA -0.468 62.627 63.100 -0.009 0.000 0.786 80 P CB 1.000 32.695 31.700 -0.008 0.000 0.927 81 L N 2.251 123.375 121.223 -0.165 0.000 2.313 81 L HA 0.285 4.625 4.340 0.000 0.000 0.283 81 L C 1.326 178.071 176.870 -0.208 0.000 1.013 81 L CA -0.691 53.967 54.840 -0.304 0.000 0.816 81 L CB 1.842 43.610 42.059 -0.485 0.000 1.236 81 L HN 0.494 nan 8.230 nan 0.000 0.419 82 T N -0.588 113.851 114.554 -0.191 0.000 2.855 82 T HA 0.120 4.470 4.350 0.000 0.000 0.314 82 T C 1.305 175.917 174.700 -0.147 0.000 1.077 82 T CA 0.394 62.413 62.100 -0.135 0.000 1.095 82 T CB 1.293 70.093 68.868 -0.113 0.000 0.987 82 T HN 0.767 nan 8.240 nan 0.000 0.546 83 E N 1.609 121.745 120.200 -0.106 0.000 2.085 83 E HA -0.017 4.333 4.350 0.000 0.000 0.194 83 E C 2.552 179.082 176.600 -0.116 0.000 0.994 83 E CA 1.886 58.227 56.400 -0.098 0.000 0.801 83 E CB -1.331 28.327 29.700 -0.069 0.000 0.743 83 E HN 1.093 nan 8.360 nan 0.000 0.453 84 A N 0.732 123.483 122.820 -0.116 0.000 2.076 84 A HA -0.214 4.107 4.320 0.000 0.000 0.220 84 A C 2.114 179.588 177.584 -0.184 0.000 1.160 84 A CA 1.859 53.818 52.037 -0.130 0.000 0.653 84 A CB -0.292 18.643 19.000 -0.108 0.000 0.801 84 A HN 0.648 nan 8.150 nan 0.000 0.455 85 E N -0.534 119.536 120.200 -0.216 0.000 2.057 85 E HA 0.141 4.491 4.350 0.000 0.000 0.190 85 E C 2.320 178.750 176.600 -0.283 0.000 0.969 85 E CA 0.512 56.735 56.400 -0.295 0.000 0.812 85 E CB -0.369 29.113 29.700 -0.364 0.000 0.777 85 E HN 0.494 nan 8.360 nan 0.000 0.455 86 A N 1.980 124.649 122.820 -0.252 0.000 2.067 86 A HA -0.301 4.020 4.320 0.000 0.000 0.224 86 A C 2.372 179.905 177.584 -0.085 0.000 1.172 86 A CA 1.991 53.918 52.037 -0.182 0.000 0.662 86 A CB -0.839 18.087 19.000 -0.123 0.000 0.814 86 A HN 0.314 nan 8.150 nan 0.000 0.468 87 A N -0.565 122.190 122.820 -0.108 0.000 1.865 87 A HA 0.034 4.354 4.320 0.000 0.000 0.217 87 A C 1.497 179.046 177.584 -0.059 0.000 1.191 87 A CA 1.691 53.682 52.037 -0.076 0.000 0.623 87 A CB -0.456 18.476 19.000 -0.114 0.000 0.826 87 A HN 0.637 nan 8.150 nan 0.000 0.444 88 L N -0.012 121.105 121.223 -0.176 0.000 2.791 88 L HA 0.219 4.559 4.340 0.000 0.000 0.239 88 L C 0.771 177.565 176.870 -0.127 0.000 1.203 88 L CA 0.636 55.328 54.840 -0.246 0.000 1.002 88 L CB -1.089 40.523 42.059 -0.744 0.000 1.295 88 L HN 0.620 nan 8.230 nan 0.000 0.504 89 N N -1.190 117.477 118.700 -0.054 0.000 2.327 89 N HA -0.037 4.703 4.740 0.000 0.000 0.231 89 N C 0.102 175.552 175.510 -0.100 0.000 1.130 89 N CA -0.134 52.883 53.050 -0.055 0.000 0.845 89 N CB -0.147 38.225 38.487 -0.192 0.000 1.073 89 N HN 0.326 nan 8.380 nan 0.000 0.496 90 H N -0.505 118.612 119.070 0.077 0.000 2.412 90 H HA 0.309 4.865 4.556 0.000 0.000 0.239 90 H C -0.927 174.466 175.328 0.109 0.000 1.388 90 H CA -0.854 55.249 56.048 0.092 0.000 1.148 90 H CB -0.189 29.606 29.762 0.055 0.000 1.637 90 H HN 0.544 nan 8.280 nan 0.000 0.542 91 N N -1.084 117.731 118.700 0.192 0.000 2.380 91 N HA 0.176 4.916 4.740 0.000 0.000 0.290 91 N C 1.360 176.969 175.510 0.165 0.000 1.236 91 N CA -0.992 52.161 53.050 0.173 0.000 0.780 91 N CB 1.519 40.122 38.487 0.193 0.000 1.438 91 N HN 0.089 nan 8.380 nan 0.000 0.491 92 M N -0.683 118.988 119.600 0.119 0.000 2.088 92 M HA -0.139 4.341 4.480 0.000 0.000 0.256 92 M C 1.358 177.879 176.300 0.367 0.000 1.071 92 M CA 1.742 57.120 55.300 0.130 0.000 1.097 92 M CB -0.683 31.865 32.600 -0.088 0.000 1.315 92 M HN 0.526 nan 8.290 nan 0.000 0.406 93 L N 1.238 122.641 121.223 0.301 0.000 2.549 93 L HA -0.020 4.320 4.340 0.000 0.000 0.230 93 L C 0.614 177.601 176.870 0.194 0.000 1.162 93 L CA 1.594 56.631 54.840 0.327 0.000 0.834 93 L CB -0.537 41.628 42.059 0.177 0.000 0.947 93 L HN 0.429 nan 8.230 nan 0.000 0.452 94 E N -0.773 119.564 120.200 0.228 0.000 3.385 94 E HA 0.291 4.641 4.350 0.000 0.000 0.206 94 E C -0.347 176.370 176.600 0.194 0.000 0.997 94 E CA 0.123 56.636 56.400 0.188 0.000 1.278 94 E CB 0.286 30.155 29.700 0.281 0.000 1.165 94 E HN 0.414 nan 8.360 nan 0.000 0.452 95 S N -0.575 115.267 115.700 0.237 0.000 2.611 95 S HA 0.483 4.953 4.470 0.000 0.000 0.268 95 S C -1.345 173.413 174.600 0.264 0.000 1.156 95 S CA -1.073 57.255 58.200 0.213 0.000 0.817 95 S CB 2.272 65.592 63.200 0.200 0.000 1.122 95 S HN -0.041 nan 8.310 nan 0.000 0.466 96 D N 0.156 120.666 120.400 0.183 0.000 2.654 96 D HA 0.670 5.310 4.640 0.000 0.000 0.255 96 D C -2.992 173.380 176.300 0.120 0.000 1.101 96 D CA -1.633 52.446 54.000 0.133 0.000 1.116 96 D CB 0.237 41.087 40.800 0.083 0.000 1.348 96 D HN 0.279 nan 8.370 nan 0.000 0.609 97 P HA 0.141 nan 4.420 nan 0.000 0.272 97 P C -1.531 175.807 177.300 0.064 0.000 1.223 97 P CA -0.646 62.498 63.100 0.073 0.000 0.784 97 P CB 0.319 32.042 31.700 0.038 0.000 0.923 98 P HA 0.066 nan 4.420 nan 0.000 0.235 98 P C 1.378 178.724 177.300 0.078 0.000 1.177 98 P CA 0.692 63.830 63.100 0.063 0.000 0.785 98 P CB 0.441 32.169 31.700 0.045 0.000 0.885 99 R N -0.034 120.521 120.500 0.092 0.000 2.080 99 R HA -0.198 4.142 4.340 0.000 0.000 0.236 99 R C 2.715 179.078 176.300 0.105 0.000 1.137 99 R CA 1.516 57.675 56.100 0.098 0.000 0.943 99 R CB -0.947 29.422 30.300 0.115 0.000 0.846 99 R HN 0.222 nan 8.270 nan 0.000 0.431 100 H N 0.019 119.109 119.070 0.034 0.000 2.319 100 H HA -0.114 4.442 4.556 0.000 0.000 0.297 100 H C 1.384 176.696 175.328 -0.028 0.000 1.097 100 H CA 2.254 58.300 56.048 -0.002 0.000 1.285 100 H CB -0.173 29.554 29.762 -0.057 0.000 1.368 100 H HN 0.243 nan 8.280 nan 0.000 0.495 101 T N 1.208 115.840 114.554 0.131 0.000 2.622 101 T HA -0.204 4.146 4.350 0.000 0.000 0.266 101 T C 2.170 176.855 174.700 -0.025 0.000 1.047 101 T CA 1.770 63.904 62.100 0.057 0.000 1.159 101 T CB -0.340 68.573 68.868 0.075 0.000 0.863 101 T HN 0.372 nan 8.240 nan 0.000 0.422 102 R N 0.734 121.236 120.500 0.002 0.000 2.094 102 R HA -0.103 4.237 4.340 0.000 0.000 0.239 102 R C 2.424 178.710 176.300 -0.023 0.000 1.137 102 R CA 1.494 57.593 56.100 -0.001 0.000 0.943 102 R CB -0.588 29.724 30.300 0.020 0.000 0.850 102 R HN 0.364 nan 8.270 nan 0.000 0.433 103 L N -0.034 121.167 121.223 -0.037 0.000 1.948 103 L HA -0.191 4.149 4.340 0.000 0.000 0.212 103 L C 2.874 179.694 176.870 -0.084 0.000 1.074 103 L CA 1.897 56.711 54.840 -0.044 0.000 0.753 103 L CB -0.677 41.364 42.059 -0.030 0.000 0.888 103 L HN 0.279 nan 8.230 nan 0.000 0.432 104 R N 0.591 120.975 120.500 -0.195 0.000 2.159 104 R HA -0.258 4.083 4.340 0.000 0.000 0.252 104 R C 2.284 178.537 176.300 -0.079 0.000 1.144 104 R CA 1.968 57.955 56.100 -0.189 0.000 0.961 104 R CB -0.180 29.901 30.300 -0.365 0.000 0.877 104 R HN 0.243 nan 8.270 nan 0.000 0.444 105 K N -0.180 120.180 120.400 -0.066 0.000 2.059 105 K HA -0.218 4.102 4.320 0.000 0.000 0.212 105 K C 1.994 178.593 176.600 -0.001 0.000 1.050 105 K CA 1.723 57.997 56.287 -0.022 0.000 0.927 105 K CB -0.342 32.149 32.500 -0.016 0.000 0.714 105 K HN 0.119 nan 8.250 nan 0.000 0.447 106 L N 0.223 121.445 121.223 -0.002 0.000 2.089 106 L HA -0.184 4.156 4.340 0.000 0.000 0.213 106 L C 1.960 178.850 176.870 0.034 0.000 1.079 106 L CA 1.676 56.525 54.840 0.014 0.000 0.758 106 L CB -0.508 41.560 42.059 0.014 0.000 0.891 106 L HN 0.209 nan 8.230 nan 0.000 0.433 107 V N -5.991 113.958 119.914 0.058 0.000 3.276 107 V HA 0.503 4.623 4.120 0.000 0.000 0.319 107 V C 1.718 177.927 176.094 0.192 0.000 1.476 107 V CA 0.248 62.622 62.300 0.123 0.000 1.097 107 V CB -0.421 31.525 31.823 0.205 0.000 0.988 107 V HN 0.103 nan 8.190 nan 0.000 0.473 108 A N 1.681 124.573 122.820 0.120 0.000 1.933 108 A HA -0.106 4.214 4.320 0.000 0.000 0.218 108 A C 2.265 179.920 177.584 0.118 0.000 1.175 108 A CA 1.990 54.110 52.037 0.138 0.000 0.628 108 A CB -0.484 18.556 19.000 0.066 0.000 0.814 108 A HN 0.565 nan 8.150 nan 0.000 0.444 109 R N -0.160 120.369 120.500 0.049 0.000 2.241 109 R HA -0.082 4.258 4.340 0.000 0.000 0.224 109 R C 1.326 177.589 176.300 -0.062 0.000 1.101 109 R CA 1.150 57.250 56.100 0.001 0.000 0.995 109 R CB -0.093 30.198 30.300 -0.014 0.000 0.870 109 R HN 0.488 nan 8.270 nan 0.000 0.463 110 E N -0.334 119.796 120.200 -0.117 0.000 2.371 110 E HA -0.057 4.294 4.350 0.000 0.000 0.194 110 E C 0.242 176.411 176.600 -0.720 0.000 1.012 110 E CA 0.790 56.934 56.400 -0.427 0.000 0.860 110 E CB 0.233 29.581 29.700 -0.586 0.000 0.811 110 E HN 0.336 nan 8.360 nan 0.000 0.502 111 F N 0.890 120.831 119.950 -0.016 0.000 2.881 111 F HA 0.131 4.659 4.527 0.000 0.000 0.343 111 F C 0.513 176.304 175.800 -0.014 0.000 1.233 111 F CA -0.619 57.370 58.000 -0.018 0.000 1.262 111 F CB 0.275 39.262 39.000 -0.022 0.000 0.980 111 F HN -0.278 nan 8.300 nan 0.000 0.506 112 T N -2.841 111.753 114.554 0.067 0.000 2.889 112 T HA 0.192 4.542 4.350 0.000 0.000 0.291 112 T C 1.419 176.138 174.700 0.032 0.000 0.995 112 T CA -0.685 61.446 62.100 0.051 0.000 1.092 112 T CB 1.651 70.532 68.868 0.022 0.000 0.954 112 T HN 0.405 nan 8.240 nan 0.000 0.506 113 M N 1.356 120.977 119.600 0.035 0.000 2.108 113 M HA -0.239 4.241 4.480 0.000 0.000 0.257 113 M C 2.243 178.549 176.300 0.010 0.000 1.071 113 M CA 1.849 57.164 55.300 0.026 0.000 1.093 113 M CB -0.194 32.421 32.600 0.026 0.000 1.345 113 M HN 0.690 nan 8.290 nan 0.000 0.403 114 R N -0.538 119.965 120.500 0.005 0.000 2.073 114 R HA -0.151 4.189 4.340 0.000 0.000 0.234 114 R C 2.207 178.496 176.300 -0.018 0.000 1.134 114 R CA 1.823 57.920 56.100 -0.005 0.000 0.952 114 R CB -0.662 29.634 30.300 -0.006 0.000 0.850 114 R HN 0.302 nan 8.270 nan 0.000 0.433 115 R N 0.778 121.261 120.500 -0.029 0.000 2.062 115 R HA -0.054 4.286 4.340 0.000 0.000 0.231 115 R C 1.957 178.221 176.300 -0.060 0.000 1.136 115 R CA 1.600 57.667 56.100 -0.056 0.000 0.948 115 R CB -0.722 29.524 30.300 -0.089 0.000 0.845 115 R HN 0.097 nan 8.270 nan 0.000 0.430 116 V N 1.131 121.015 119.914 -0.050 0.000 2.324 116 V HA -0.247 3.873 4.120 0.000 0.000 0.250 116 V C 2.253 178.335 176.094 -0.020 0.000 1.060 116 V CA 2.218 64.496 62.300 -0.036 0.000 1.042 116 V CB -0.789 31.039 31.823 0.009 0.000 0.650 116 V HN 0.405 nan 8.190 nan 0.000 0.450 117 E N 0.640 120.834 120.200 -0.010 0.000 2.169 117 E HA -0.259 4.091 4.350 0.000 0.000 0.202 117 E C 1.899 178.491 176.600 -0.013 0.000 1.016 117 E CA 1.597 57.994 56.400 -0.006 0.000 0.817 117 E CB -0.585 29.113 29.700 -0.003 0.000 0.736 117 E HN 0.620 nan 8.360 nan 0.000 0.462 118 L N -0.249 120.960 121.223 -0.023 0.000 2.349 118 L HA -0.156 4.184 4.340 0.000 0.000 0.220 118 L C 1.979 178.832 176.870 -0.027 0.000 1.130 118 L CA 0.640 55.465 54.840 -0.026 0.000 0.791 118 L CB -0.247 41.791 42.059 -0.035 0.000 0.918 118 L HN 0.234 nan 8.230 nan 0.000 0.444 119 L N -1.223 119.983 121.223 -0.028 0.000 2.509 119 L HA -0.014 4.326 4.340 0.000 0.000 0.222 119 L C 2.559 179.419 176.870 -0.017 0.000 1.123 119 L CA 0.117 54.941 54.840 -0.027 0.000 0.856 119 L CB -0.400 41.640 42.059 -0.031 0.000 0.985 119 L HN 0.204 nan 8.230 nan 0.000 0.456 120 R N 1.334 121.827 120.500 -0.011 0.000 2.112 120 R HA -0.205 4.135 4.340 0.000 0.000 0.242 120 R C -0.469 175.826 176.300 -0.009 0.000 1.137 120 R CA 2.072 58.168 56.100 -0.006 0.000 0.944 120 R CB -1.232 29.066 30.300 -0.003 0.000 0.857 120 R HN 0.187 nan 8.270 nan 0.000 0.435 121 P HA -0.204 nan 4.420 nan 0.000 0.216 121 P C 0.840 178.132 177.300 -0.013 0.000 1.157 121 P CA 1.534 64.627 63.100 -0.011 0.000 0.880 121 P CB -0.129 31.564 31.700 -0.012 0.000 0.791 122 R N -0.004 120.487 120.500 -0.016 0.000 2.057 122 R HA -0.063 4.277 4.340 0.000 0.000 0.229 122 R C 1.969 178.258 176.300 -0.018 0.000 1.136 122 R CA 1.676 57.766 56.100 -0.018 0.000 0.952 122 R CB -1.563 28.725 30.300 -0.021 0.000 0.848 122 R HN -0.021 nan 8.270 nan 0.000 0.430 123 V N 1.217 121.120 119.914 -0.017 0.000 2.332 123 V HA -0.271 3.850 4.120 0.000 0.000 0.248 123 V C 2.442 178.526 176.094 -0.017 0.000 1.055 123 V CA 2.255 64.546 62.300 -0.017 0.000 1.038 123 V CB -0.749 31.069 31.823 -0.009 0.000 0.651 123 V HN 0.400 nan 8.190 nan 0.000 0.450 124 Q N 0.611 120.403 119.800 -0.013 0.000 2.061 124 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 124 Q C 2.265 178.254 176.000 -0.017 0.000 0.984 124 Q CA 2.448 58.243 55.803 -0.014 0.000 0.846 124 Q CB -0.448 28.283 28.738 -0.011 0.000 0.902 124 Q HN 0.744 nan 8.270 nan 0.000 0.421 125 E N -0.425 119.765 120.200 -0.017 0.000 2.110 125 E HA -0.191 4.159 4.350 0.000 0.000 0.193 125 E C 1.917 178.504 176.600 -0.021 0.000 0.988 125 E CA 1.359 57.748 56.400 -0.018 0.000 0.804 125 E CB -0.214 29.477 29.700 -0.015 0.000 0.745 125 E HN 0.561 nan 8.360 nan 0.000 0.458 126 I N 0.744 121.299 120.570 -0.024 0.000 2.226 126 I HA -0.261 3.909 4.170 0.000 0.000 0.245 126 I C 2.427 178.523 176.117 -0.034 0.000 1.100 126 I CA 0.789 62.070 61.300 -0.031 0.000 1.374 126 I CB -0.294 37.684 38.000 -0.037 0.000 1.057 126 I HN 0.064 nan 8.210 nan 0.000 0.413 127 V N 0.681 120.575 119.914 -0.032 0.000 2.237 127 V HA -0.293 3.827 4.120 0.000 0.000 0.245 127 V C 2.183 178.255 176.094 -0.037 0.000 1.046 127 V CA 2.016 64.295 62.300 -0.035 0.000 1.007 127 V CB -0.782 31.024 31.823 -0.029 0.000 0.638 127 V HN 0.388 nan 8.190 nan 0.000 0.445 128 D N 0.894 121.275 120.400 -0.033 0.000 2.154 128 D HA -0.213 4.428 4.640 0.000 0.000 0.190 128 D C 2.196 178.477 176.300 -0.033 0.000 1.003 128 D CA 2.138 56.117 54.000 -0.034 0.000 0.849 128 D CB -0.678 40.107 40.800 -0.026 0.000 0.942 128 D HN 0.503 nan 8.370 nan 0.000 0.446 129 G N 0.830 109.615 108.800 -0.026 0.000 2.469 129 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 129 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 129 G C 1.885 176.772 174.900 -0.023 0.000 1.150 129 G CA 0.361 45.449 45.100 -0.020 0.000 0.763 129 G HN 0.254 nan 8.290 nan 0.000 0.561 130 L N 0.096 121.302 121.223 -0.029 0.000 2.093 130 L HA -0.073 4.267 4.340 0.000 0.000 0.208 130 L C 2.992 179.836 176.870 -0.043 0.000 1.085 130 L CA 0.460 55.283 54.840 -0.029 0.000 0.755 130 L CB -0.175 41.864 42.059 -0.035 0.000 0.904 130 L HN 0.135 nan 8.230 nan 0.000 0.435 131 V N -0.633 119.243 119.914 -0.062 0.000 2.379 131 V HA -0.247 3.873 4.120 0.000 0.000 0.245 131 V C 2.074 178.110 176.094 -0.096 0.000 1.044 131 V CA 1.638 63.875 62.300 -0.104 0.000 1.036 131 V CB -0.586 31.169 31.823 -0.115 0.000 0.664 131 V HN 0.431 nan 8.190 nan 0.000 0.453 132 D N 1.249 121.614 120.400 -0.058 0.000 2.126 132 D HA -0.231 4.409 4.640 0.000 0.000 0.190 132 D C 2.221 178.513 176.300 -0.012 0.000 1.001 132 D CA 1.992 55.971 54.000 -0.034 0.000 0.841 132 D CB -0.427 40.363 40.800 -0.017 0.000 0.949 132 D HN 0.469 nan 8.370 nan 0.000 0.446 133 A N 0.665 123.483 122.820 -0.005 0.000 1.972 133 A HA -0.154 4.166 4.320 0.000 0.000 0.219 133 A C 2.195 179.804 177.584 0.041 0.000 1.169 133 A CA 1.470 53.519 52.037 0.021 0.000 0.635 133 A CB -0.551 18.461 19.000 0.020 0.000 0.810 133 A HN 0.213 nan 8.150 nan 0.000 0.446 134 M N -0.426 119.176 119.600 0.003 0.000 2.077 134 M HA -0.044 4.437 4.480 0.000 0.000 0.261 134 M C 1.694 178.073 176.300 0.131 0.000 1.070 134 M CA 1.588 56.901 55.300 0.022 0.000 1.125 134 M CB -0.261 32.254 32.600 -0.143 0.000 1.339 134 M HN 0.390 nan 8.290 nan 0.000 0.409 135 L N 0.186 121.406 121.223 -0.005 0.000 2.450 135 L HA -0.130 4.211 4.340 0.000 0.000 0.224 135 L C 2.536 179.566 176.870 0.268 0.000 1.149 135 L CA 0.534 55.477 54.840 0.171 0.000 0.816 135 L CB -1.134 40.915 42.059 -0.017 0.000 0.932 135 L HN 0.395 nan 8.230 nan 0.000 0.449 136 A N 0.664 123.587 122.820 0.171 0.000 1.930 136 A HA 0.071 4.391 4.320 0.000 0.000 0.217 136 A C 1.630 179.298 177.584 0.140 0.000 1.175 136 A CA 0.833 52.946 52.037 0.127 0.000 0.627 136 A CB -0.498 18.552 19.000 0.084 0.000 0.815 136 A HN 0.349 nan 8.150 nan 0.000 0.443 137 A N 0.522 123.451 122.820 0.182 0.000 2.587 137 A HA 0.291 4.611 4.320 0.000 0.000 0.233 137 A C -0.395 177.233 177.584 0.073 0.000 1.049 137 A CA 0.022 52.132 52.037 0.122 0.000 0.754 137 A CB -0.034 19.049 19.000 0.139 0.000 0.977 137 A HN 0.393 nan 8.150 nan 0.000 0.509 138 P HA -0.098 nan 4.420 nan 0.000 0.219 138 P C 0.516 177.776 177.300 -0.067 0.000 1.154 138 P CA 1.357 64.452 63.100 -0.009 0.000 0.826 138 P CB 0.038 31.733 31.700 -0.008 0.000 0.795 139 D N -0.606 119.730 120.400 -0.106 0.000 2.355 139 D HA 0.024 4.664 4.640 0.000 0.000 0.218 139 D C 1.349 177.441 176.300 -0.347 0.000 1.004 139 D CA 0.728 54.624 54.000 -0.173 0.000 0.880 139 D CB -1.071 39.648 40.800 -0.136 0.000 0.911 139 D HN 0.241 nan 8.370 nan 0.000 0.528 140 G N 0.842 109.360 108.800 -0.471 0.000 2.221 140 G HA2 -0.315 3.645 3.960 0.000 0.000 0.265 140 G HA3 -0.315 3.645 3.960 0.000 0.000 0.265 140 G C -0.112 173.872 174.900 -1.526 0.000 1.041 140 G CA 0.035 44.395 45.100 -1.233 0.000 0.807 140 G HN 0.474 nan 8.290 nan 0.000 0.502 141 R N -0.508 119.561 120.500 -0.718 0.000 2.532 141 R HA 0.783 5.123 4.340 0.000 0.000 0.297 141 R C -0.107 176.166 176.300 -0.046 0.000 0.984 141 R CA 0.080 55.957 56.100 -0.371 0.000 0.884 141 R CB 2.148 32.320 30.300 -0.213 0.000 1.182 141 R HN 0.854 nan 8.270 nan 0.000 0.442 142 A N 1.439 124.351 122.820 0.154 0.000 2.610 142 A HA 0.337 4.657 4.320 0.000 0.000 0.291 142 A C -1.795 175.890 177.584 0.170 0.000 1.086 142 A CA -0.777 51.386 52.037 0.211 0.000 0.677 142 A CB 1.886 21.099 19.000 0.354 0.000 1.278 142 A HN 0.594 nan 8.150 nan 0.000 0.414 143 D N 1.036 121.505 120.400 0.115 0.000 2.380 143 D HA 0.259 4.899 4.640 0.000 0.000 0.230 143 D C 0.774 177.127 176.300 0.090 0.000 1.154 143 D CA -0.412 53.637 54.000 0.082 0.000 0.859 143 D CB 1.120 41.949 40.800 0.049 0.000 1.045 143 D HN 0.399 nan 8.370 nan 0.000 0.495 144 L N 4.430 125.707 121.223 0.090 0.000 2.551 144 L HA -0.082 4.258 4.340 0.000 0.000 0.230 144 L C 1.550 178.461 176.870 0.068 0.000 1.163 144 L CA 1.245 56.129 54.840 0.073 0.000 0.826 144 L CB -0.412 41.688 42.059 0.068 0.000 0.943 144 L HN 0.511 nan 8.230 nan 0.000 0.452 145 M N -0.572 119.069 119.600 0.067 0.000 2.142 145 M HA -0.064 4.416 4.480 0.000 0.000 0.256 145 M C 2.128 178.508 176.300 0.133 0.000 1.098 145 M CA 1.707 57.056 55.300 0.082 0.000 1.151 145 M CB -0.365 32.261 32.600 0.043 0.000 1.299 145 M HN 0.273 nan 8.290 nan 0.000 0.431 146 E N -1.360 118.903 120.200 0.106 0.000 2.418 146 E HA -0.111 4.240 4.350 0.000 0.000 0.197 146 E C 1.641 178.327 176.600 0.144 0.000 1.026 146 E CA 0.850 57.334 56.400 0.139 0.000 0.862 146 E CB 0.072 29.813 29.700 0.068 0.000 0.799 146 E HN 0.479 nan 8.360 nan 0.000 0.518 147 S N -0.680 115.083 115.700 0.105 0.000 2.421 147 S HA 0.013 4.483 4.470 0.000 0.000 0.224 147 S C 1.358 175.988 174.600 0.050 0.000 1.035 147 S CA 0.797 59.044 58.200 0.078 0.000 0.953 147 S CB 0.216 63.460 63.200 0.074 0.000 0.810 147 S HN 0.357 nan 8.310 nan 0.000 0.497 148 L N -0.574 120.679 121.223 0.050 0.000 2.249 148 L HA 0.583 4.923 4.340 0.000 0.000 0.204 148 L C 1.925 178.803 176.870 0.014 0.000 1.135 148 L CA 1.061 55.909 54.840 0.013 0.000 1.070 148 L CB -0.923 41.130 42.059 -0.010 0.000 2.194 148 L HN 0.055 nan 8.230 nan 0.000 0.504 149 A N 0.457 123.305 122.820 0.048 0.000 1.958 149 A HA -0.265 4.055 4.320 0.000 0.000 0.221 149 A C 2.102 179.727 177.584 0.068 0.000 1.178 149 A CA 2.305 54.377 52.037 0.057 0.000 0.642 149 A CB -1.302 17.745 19.000 0.078 0.000 0.816 149 A HN 0.797 nan 8.150 nan 0.000 0.453 150 W N 1.291 122.574 121.300 -0.028 0.000 2.501 150 W HA -0.027 4.633 4.660 0.000 0.000 0.309 150 W C -1.230 175.271 176.519 -0.029 0.000 1.165 150 W CA 1.429 58.742 57.345 -0.053 0.000 1.381 150 W CB -1.053 28.366 29.460 -0.070 0.000 1.142 150 W HN 0.287 nan 8.180 nan 0.000 0.509 151 P HA -0.226 nan 4.420 nan 0.000 0.218 151 P C 1.971 179.020 177.300 -0.419 0.000 1.148 151 P CA 1.389 64.124 63.100 -0.609 0.000 0.822 151 P CB -0.379 31.218 31.700 -0.172 0.000 0.784 152 L N 1.033 122.096 121.223 -0.268 0.000 1.976 152 L HA -0.023 4.317 4.340 0.000 0.000 0.209 152 L C -0.674 176.084 176.870 -0.187 0.000 1.071 152 L CA 2.754 57.491 54.840 -0.172 0.000 0.746 152 L CB -2.333 39.669 42.059 -0.095 0.000 0.890 152 L HN -0.029 nan 8.230 nan 0.000 0.432 153 P HA -0.207 nan 4.420 nan 0.000 0.212 153 P C 1.980 179.181 177.300 -0.166 0.000 1.178 153 P CA 1.604 64.627 63.100 -0.128 0.000 0.915 153 P CB -0.203 31.456 31.700 -0.068 0.000 0.788 154 I N -1.144 119.235 120.570 -0.318 0.000 2.300 154 I HA -0.259 3.911 4.170 0.000 0.000 0.252 154 I C 1.671 177.667 176.117 -0.201 0.000 1.119 154 I CA 2.066 63.213 61.300 -0.255 0.000 1.384 154 I CB -1.113 36.585 38.000 -0.504 0.000 1.062 154 I HN -0.052 nan 8.210 nan 0.000 0.426 155 T N -0.347 114.084 114.554 -0.206 0.000 2.643 155 T HA -0.099 4.251 4.350 0.000 0.000 0.256 155 T C 1.951 176.598 174.700 -0.089 0.000 1.061 155 T CA 1.884 63.910 62.100 -0.123 0.000 1.163 155 T CB -0.592 68.210 68.868 -0.110 0.000 0.865 155 T HN 0.156 nan 8.240 nan 0.000 0.407 156 V N 1.718 121.583 119.914 -0.081 0.000 2.233 156 V HA -0.255 3.865 4.120 0.000 0.000 0.256 156 V C 2.413 178.482 176.094 -0.042 0.000 1.069 156 V CA 2.129 64.399 62.300 -0.050 0.000 1.054 156 V CB -0.768 31.034 31.823 -0.036 0.000 0.664 156 V HN 0.378 nan 8.190 nan 0.000 0.453 157 I N -0.035 120.504 120.570 -0.052 0.000 2.226 157 I HA -0.185 3.985 4.170 0.000 0.000 0.245 157 I C 2.452 178.529 176.117 -0.067 0.000 1.100 157 I CA 1.815 63.087 61.300 -0.046 0.000 1.374 157 I CB -0.421 37.529 38.000 -0.084 0.000 1.057 157 I HN 0.259 nan 8.210 nan 0.000 0.413 158 S N 0.183 115.826 115.700 -0.096 0.000 2.442 158 S HA -0.146 4.324 4.470 0.000 0.000 0.236 158 S C 1.753 176.336 174.600 -0.030 0.000 1.007 158 S CA 1.177 59.331 58.200 -0.078 0.000 0.965 158 S CB -0.366 62.789 63.200 -0.076 0.000 0.773 158 S HN 0.583 nan 8.310 nan 0.000 0.504 159 E N 0.405 120.587 120.200 -0.029 0.000 2.170 159 E HA 0.010 4.361 4.350 0.000 0.000 0.191 159 E C 1.882 178.472 176.600 -0.017 0.000 0.981 159 E CA 0.319 56.709 56.400 -0.016 0.000 0.830 159 E CB -0.156 29.532 29.700 -0.021 0.000 0.775 159 E HN 0.263 nan 8.360 nan 0.000 0.470 160 L N 1.063 122.273 121.223 -0.023 0.000 1.961 160 L HA -0.173 4.167 4.340 0.000 0.000 0.210 160 L C 2.116 178.980 176.870 -0.010 0.000 1.072 160 L CA 1.377 56.202 54.840 -0.025 0.000 0.749 160 L CB -0.318 41.734 42.059 -0.012 0.000 0.889 160 L HN 0.167 nan 8.230 nan 0.000 0.432 161 L N -0.236 120.989 121.223 0.004 0.000 2.376 161 L HA 0.093 4.433 4.340 0.000 0.000 0.219 161 L C 1.071 177.954 176.870 0.021 0.000 1.133 161 L CA 1.349 56.200 54.840 0.018 0.000 0.816 161 L CB -1.815 40.251 42.059 0.012 0.000 0.933 161 L HN 0.636 nan 8.230 nan 0.000 0.449 162 G N 0.452 109.262 108.800 0.016 0.000 2.452 162 G HA2 -0.189 3.771 3.960 0.000 0.000 0.275 162 G HA3 -0.189 3.771 3.960 0.000 0.000 0.275 162 G C -0.220 174.718 174.900 0.064 0.000 1.131 162 G CA 0.054 45.172 45.100 0.031 0.000 1.031 162 G HN 0.083 nan 8.290 nan 0.000 0.511 163 V N 1.606 121.564 119.914 0.074 0.000 2.328 163 V HA 0.387 4.507 4.120 0.000 0.000 0.278 163 V C -1.397 174.780 176.094 0.139 0.000 1.021 163 V CA -1.714 60.677 62.300 0.152 0.000 0.838 163 V CB 1.663 33.574 31.823 0.146 0.000 0.999 163 V HN 0.297 nan 8.190 nan 0.000 0.447 164 P HA -0.021 nan 4.420 nan 0.000 0.263 164 P C 0.735 178.105 177.300 0.116 0.000 1.175 164 P CA 0.144 63.319 63.100 0.124 0.000 0.761 164 P CB 0.596 32.382 31.700 0.144 0.000 0.794 165 E N 5.417 125.663 120.200 0.077 0.000 2.085 165 E HA -0.198 4.152 4.350 0.000 0.000 0.194 165 E C -0.959 175.682 176.600 0.070 0.000 0.994 165 E CA 1.699 58.139 56.400 0.066 0.000 0.801 165 E CB -2.405 27.321 29.700 0.043 0.000 0.743 165 E HN 0.394 nan 8.360 nan 0.000 0.453 166 P HA -0.122 nan 4.420 nan 0.000 0.218 166 P C 0.456 177.770 177.300 0.024 0.000 1.146 166 P CA 1.613 64.737 63.100 0.039 0.000 0.813 166 P CB -0.063 31.659 31.700 0.038 0.000 0.778 167 D N -1.231 119.202 120.400 0.056 0.000 2.312 167 D HA -0.046 4.594 4.640 0.000 0.000 0.211 167 D C 1.829 178.152 176.300 0.039 0.000 0.964 167 D CA 0.604 54.602 54.000 -0.003 0.000 0.877 167 D CB -0.290 40.595 40.800 0.142 0.000 0.924 167 D HN 0.223 nan 8.370 nan 0.000 0.515 168 R N 0.701 121.291 120.500 0.150 0.000 2.189 168 R HA 0.040 4.380 4.340 0.000 0.000 0.223 168 R C 2.194 178.641 176.300 0.246 0.000 1.092 168 R CA 0.888 57.157 56.100 0.281 0.000 0.989 168 R CB -0.127 30.289 30.300 0.193 0.000 0.876 168 R HN 0.057 nan 8.270 nan 0.000 0.457 169 A N 1.789 124.645 122.820 0.061 0.000 1.865 169 A HA -0.166 4.154 4.320 0.000 0.000 0.217 169 A C 2.425 179.863 177.584 -0.243 0.000 1.191 169 A CA 1.769 53.788 52.037 -0.031 0.000 0.623 169 A CB -0.859 18.089 19.000 -0.088 0.000 0.826 169 A HN 0.374 nan 8.150 nan 0.000 0.444 170 A N -1.710 120.801 122.820 -0.514 0.000 2.139 170 A HA -0.073 4.247 4.320 0.000 0.000 0.221 170 A C 1.898 178.635 177.584 -1.413 0.000 1.159 170 A CA 1.514 52.856 52.037 -1.157 0.000 0.662 170 A CB -0.782 17.301 19.000 -1.529 0.000 0.796 170 A HN 0.518 nan 8.150 nan 0.000 0.463 171 F N -0.773 118.881 119.950 -0.494 0.000 2.128 171 F HA -0.062 4.465 4.527 0.000 0.000 0.295 171 F C 2.499 178.346 175.800 0.079 0.000 1.100 171 F CA 1.754 59.770 58.000 0.027 0.000 1.260 171 F CB -0.176 39.012 39.000 0.312 0.000 1.009 171 F HN 0.167 nan 8.300 nan 0.000 0.476 172 R N 0.471 121.069 120.500 0.164 0.000 2.073 172 R HA -0.151 4.190 4.340 0.000 0.000 0.234 172 R C 2.109 178.238 176.300 -0.285 0.000 1.134 172 R CA 1.706 57.650 56.100 -0.259 0.000 0.952 172 R CB -0.620 29.145 30.300 -0.891 0.000 0.850 172 R HN 0.122 nan 8.270 nan 0.000 0.433 173 V N 0.442 120.142 119.914 -0.355 0.000 2.222 173 V HA -0.356 3.764 4.120 0.000 0.000 0.252 173 V C 2.313 178.247 176.094 -0.266 0.000 1.060 173 V CA 2.246 64.324 62.300 -0.370 0.000 1.027 173 V CB -0.835 30.660 31.823 -0.548 0.000 0.644 173 V HN 0.471 nan 8.190 nan 0.000 0.448 174 W N 0.814 121.919 121.300 -0.325 0.000 2.332 174 W HA -0.202 4.458 4.660 0.000 0.000 0.321 174 W C 2.971 178.960 176.519 -0.883 0.000 1.219 174 W CA 2.608 59.588 57.345 -0.608 0.000 1.277 174 W CB -2.044 27.010 29.460 -0.678 0.000 1.161 174 W HN 0.572 nan 8.180 nan 0.000 0.476 175 T N -0.888 113.469 114.554 -0.328 0.000 2.680 175 T HA -0.318 4.033 4.350 0.000 0.000 0.268 175 T C 1.253 175.926 174.700 -0.045 0.000 1.033 175 T CA 2.273 64.302 62.100 -0.117 0.000 1.152 175 T CB -0.838 68.155 68.868 0.209 0.000 0.859 175 T HN -0.005 nan 8.240 nan 0.000 0.452 176 D N 2.015 122.361 120.400 -0.089 0.000 2.087 176 D HA 0.056 4.696 4.640 0.000 0.000 0.192 176 D C 2.600 178.930 176.300 0.050 0.000 0.993 176 D CA 1.710 55.700 54.000 -0.016 0.000 0.828 176 D CB -0.715 40.046 40.800 -0.064 0.000 0.968 176 D HN 0.591 nan 8.370 nan 0.000 0.448 177 A N 0.242 123.059 122.820 -0.005 0.000 1.917 177 A HA -0.205 4.115 4.320 0.000 0.000 0.219 177 A C 1.907 179.638 177.584 0.244 0.000 1.182 177 A CA 1.199 53.279 52.037 0.072 0.000 0.633 177 A CB -0.957 18.087 19.000 0.072 0.000 0.819 177 A HN 0.148 nan 8.150 nan 0.000 0.448 178 F N 0.165 120.198 119.950 0.138 0.000 2.046 178 F HA -0.089 4.438 4.527 0.000 0.000 0.297 178 F C 1.706 177.598 175.800 0.153 0.000 1.123 178 F CA 0.161 58.243 58.000 0.137 0.000 1.199 178 F CB -1.530 37.571 39.000 0.169 0.000 0.972 178 F HN -0.043 nan 8.300 nan 0.000 0.474 179 V N -0.079 120.058 119.914 0.372 0.000 3.766 179 V HA -0.134 3.986 4.120 0.000 0.000 0.286 179 V C 0.155 176.462 176.094 0.354 0.000 1.055 179 V CA -0.943 61.552 62.300 0.324 0.000 1.060 179 V CB 0.058 32.031 31.823 0.250 0.000 1.210 179 V HN 0.014 nan 8.190 nan 0.000 0.457 180 F N 5.286 125.384 119.950 0.247 0.000 2.539 180 F HA 0.167 4.694 4.527 0.000 0.000 0.393 180 F C -1.549 174.357 175.800 0.176 0.000 1.032 180 F CA -1.813 56.310 58.000 0.205 0.000 1.120 180 F CB -0.223 38.894 39.000 0.193 0.000 1.014 180 F HN 0.267 nan 8.300 nan 0.000 0.546 181 P HA 0.293 nan 4.420 nan 0.000 0.287 181 P C -0.651 176.300 177.300 -0.582 0.000 1.290 181 P CA -0.206 62.722 63.100 -0.287 0.000 0.889 181 P CB 1.115 32.743 31.700 -0.121 0.000 1.190 182 D N -0.675 119.528 120.400 -0.328 0.000 2.344 182 D HA 0.116 4.757 4.640 0.000 0.000 0.242 182 D C 0.067 176.239 176.300 -0.213 0.000 1.159 182 D CA 0.206 54.032 54.000 -0.290 0.000 0.859 182 D CB -0.634 40.081 40.800 -0.142 0.000 0.925 182 D HN 0.544 nan 8.370 nan 0.000 0.510 183 D N -2.501 117.765 120.400 -0.225 0.000 2.205 183 D HA 0.127 4.768 4.640 0.000 0.000 0.168 183 D C -2.522 173.734 176.300 -0.075 0.000 1.167 183 D CA -0.768 53.163 54.000 -0.115 0.000 0.834 183 D CB 1.324 42.085 40.800 -0.066 0.000 2.599 183 D HN -0.155 nan 8.370 nan 0.000 0.497 184 P HA -0.093 nan 4.420 nan 0.000 0.217 184 P C 1.046 178.355 177.300 0.015 0.000 1.148 184 P CA 1.861 64.966 63.100 0.008 0.000 0.834 184 P CB 0.277 31.997 31.700 0.034 0.000 0.783 185 A N -0.877 121.947 122.820 0.005 0.000 2.123 185 A HA -0.139 4.181 4.320 0.000 0.000 0.214 185 A C 2.260 179.853 177.584 0.014 0.000 1.152 185 A CA 0.884 52.926 52.037 0.008 0.000 0.728 185 A CB -0.922 18.080 19.000 0.003 0.000 0.814 185 A HN 0.198 nan 8.150 nan 0.000 0.464 186 Q N -0.402 119.405 119.800 0.011 0.000 2.096 186 Q HA 0.003 4.344 4.340 0.000 0.000 0.197 186 Q C 2.092 178.129 176.000 0.062 0.000 0.964 186 Q CA 1.132 56.949 55.803 0.023 0.000 0.838 186 Q CB -0.250 28.486 28.738 -0.003 0.000 0.906 186 Q HN 0.551 nan 8.270 nan 0.000 0.444 187 A N 0.589 123.455 122.820 0.077 0.000 1.930 187 A HA -0.150 4.170 4.320 0.000 0.000 0.217 187 A C 1.992 179.677 177.584 0.169 0.000 1.175 187 A CA 1.049 53.189 52.037 0.172 0.000 0.627 187 A CB -0.399 18.712 19.000 0.185 0.000 0.815 187 A HN 0.371 nan 8.150 nan 0.000 0.443 188 Q N -0.389 119.458 119.800 0.078 0.000 2.364 188 Q HA -0.098 4.242 4.340 0.000 0.000 0.209 188 Q C 1.771 177.784 176.000 0.021 0.000 0.977 188 Q CA 1.758 57.579 55.803 0.029 0.000 0.885 188 Q CB -0.438 28.301 28.738 0.002 0.000 0.941 188 Q HN 0.699 nan 8.270 nan 0.000 0.464 189 T N 0.036 114.616 114.554 0.044 0.000 2.976 189 T HA 0.085 4.435 4.350 0.000 0.000 0.257 189 T C 1.821 176.536 174.700 0.025 0.000 1.051 189 T CA 0.796 62.914 62.100 0.031 0.000 1.141 189 T CB -0.012 68.884 68.868 0.046 0.000 0.881 189 T HN 0.321 nan 8.240 nan 0.000 0.461 190 A N 1.658 124.531 122.820 0.089 0.000 1.940 190 A HA -0.057 4.263 4.320 0.000 0.000 0.219 190 A C 2.297 179.795 177.584 -0.144 0.000 1.176 190 A CA 1.402 53.450 52.037 0.019 0.000 0.631 190 A CB -0.677 18.429 19.000 0.175 0.000 0.814 190 A HN 0.424 nan 8.150 nan 0.000 0.446 191 M N -0.808 118.865 119.600 0.122 0.000 2.077 191 M HA -0.118 4.362 4.480 0.000 0.000 0.261 191 M C 2.621 178.814 176.300 -0.178 0.000 1.070 191 M CA 1.436 56.723 55.300 -0.021 0.000 1.125 191 M CB -0.444 32.079 32.600 -0.129 0.000 1.339 191 M HN 0.473 nan 8.290 nan 0.000 0.409 192 A N 0.116 122.853 122.820 -0.138 0.000 1.883 192 A HA -0.223 4.097 4.320 0.000 0.000 0.217 192 A C 1.905 179.384 177.584 -0.175 0.000 1.186 192 A CA 2.049 54.008 52.037 -0.130 0.000 0.624 192 A CB -0.837 18.117 19.000 -0.077 0.000 0.822 192 A HN 0.515 nan 8.150 nan 0.000 0.444 193 E N -1.145 118.921 120.200 -0.223 0.000 2.058 193 E HA -0.247 4.103 4.350 0.000 0.000 0.194 193 E C 2.057 178.322 176.600 -0.558 0.000 0.997 193 E CA 1.716 57.968 56.400 -0.247 0.000 0.801 193 E CB -0.209 29.434 29.700 -0.096 0.000 0.746 193 E HN 0.704 nan 8.360 nan 0.000 0.450 194 M N 0.088 119.036 119.600 -1.087 0.000 2.067 194 M HA -0.199 4.281 4.480 0.000 0.000 0.260 194 M C 2.227 178.328 176.300 -0.332 0.000 1.069 194 M CA 1.746 56.389 55.300 -1.094 0.000 1.117 194 M CB 0.003 32.126 32.600 -0.796 0.000 1.334 194 M HN -0.026 nan 8.290 nan 0.000 0.407 195 S N 0.569 116.132 115.700 -0.229 0.000 2.372 195 S HA -0.170 4.301 4.470 0.000 0.000 0.227 195 S C 1.879 176.437 174.600 -0.070 0.000 1.044 195 S CA 1.465 59.596 58.200 -0.115 0.000 1.050 195 S CB -1.323 61.801 63.200 -0.125 0.000 0.901 195 S HN 0.791 nan 8.310 nan 0.000 0.447 196 G N 0.412 109.168 108.800 -0.074 0.000 2.514 196 G HA2 -0.292 3.669 3.960 0.000 0.000 0.217 196 G HA3 -0.292 3.669 3.960 0.000 0.000 0.217 196 G C 1.233 176.159 174.900 0.043 0.000 1.198 196 G CA 1.214 46.308 45.100 -0.010 0.000 0.780 196 G HN 0.521 nan 8.290 nan 0.000 0.565 197 Y N 1.352 121.637 120.300 -0.025 0.000 2.049 197 Y HA -0.141 4.409 4.550 0.000 0.000 0.277 197 Y C 2.755 178.710 175.900 0.091 0.000 1.143 197 Y CA 1.687 59.828 58.100 0.069 0.000 1.115 197 Y CB -0.683 37.871 38.460 0.156 0.000 0.975 197 Y HN 0.118 nan 8.280 nan 0.000 0.487 198 L N -0.786 120.421 121.223 -0.026 0.000 1.997 198 L HA -0.368 3.972 4.340 0.000 0.000 0.216 198 L C 2.563 179.366 176.870 -0.112 0.000 1.074 198 L CA 1.920 56.729 54.840 -0.052 0.000 0.763 198 L CB -1.047 41.084 42.059 0.120 0.000 0.890 198 L HN 0.210 nan 8.230 nan 0.000 0.434 199 S N -0.699 114.961 115.700 -0.066 0.000 2.359 199 S HA -0.229 4.241 4.470 0.000 0.000 0.223 199 S C 2.021 176.571 174.600 -0.084 0.000 1.039 199 S CA 1.441 59.606 58.200 -0.057 0.000 1.042 199 S CB -0.270 62.907 63.200 -0.039 0.000 0.915 199 S HN 0.330 nan 8.310 nan 0.000 0.439 200 R N 0.290 120.726 120.500 -0.107 0.000 2.082 200 R HA -0.102 4.238 4.340 0.000 0.000 0.234 200 R C 2.392 178.600 176.300 -0.153 0.000 1.136 200 R CA 1.533 57.573 56.100 -0.101 0.000 0.935 200 R CB -0.742 29.520 30.300 -0.064 0.000 0.842 200 R HN 0.280 nan 8.270 nan 0.000 0.430 201 L N 1.383 122.410 121.223 -0.326 0.000 1.990 201 L HA -0.219 4.121 4.340 0.000 0.000 0.213 201 L C 2.023 178.818 176.870 -0.125 0.000 1.072 201 L CA 1.745 56.410 54.840 -0.292 0.000 0.755 201 L CB -0.465 41.291 42.059 -0.506 0.000 0.889 201 L HN 0.215 nan 8.230 nan 0.000 0.432 202 I N -0.381 120.129 120.570 -0.100 0.000 2.145 202 I HA -0.401 3.769 4.170 0.000 0.000 0.244 202 I C 2.114 178.210 176.117 -0.034 0.000 1.075 202 I CA 2.057 63.331 61.300 -0.044 0.000 1.332 202 I CB -0.557 37.425 38.000 -0.029 0.000 1.033 202 I HN 0.358 nan 8.210 nan 0.000 0.410 203 D N 0.107 120.482 120.400 -0.040 0.000 2.144 203 D HA -0.161 4.479 4.640 0.000 0.000 0.200 203 D C 2.312 178.601 176.300 -0.018 0.000 0.978 203 D CA 1.518 55.503 54.000 -0.025 0.000 0.833 203 D CB -0.004 40.782 40.800 -0.024 0.000 0.961 203 D HN 0.361 nan 8.370 nan 0.000 0.470 204 S N 0.216 115.901 115.700 -0.025 0.000 2.402 204 S HA -0.223 4.247 4.470 0.000 0.000 0.233 204 S C 1.778 176.377 174.600 -0.001 0.000 1.030 204 S CA 0.853 59.048 58.200 -0.008 0.000 1.003 204 S CB -0.236 62.961 63.200 -0.006 0.000 0.813 204 S HN 0.087 nan 8.310 nan 0.000 0.477 205 K N 1.270 121.667 120.400 -0.005 0.000 2.097 205 K HA 0.099 4.419 4.320 0.000 0.000 0.205 205 K C 0.845 177.445 176.600 0.001 0.000 1.050 205 K CA 0.298 56.586 56.287 0.001 0.000 0.938 205 K CB -0.483 32.017 32.500 0.000 0.000 0.718 205 K HN 0.465 nan 8.250 nan 0.000 0.442 206 R N 0.794 121.293 120.500 -0.002 0.000 2.501 206 R HA -0.072 4.268 4.340 0.000 0.000 0.319 206 R C 0.870 177.170 176.300 0.000 0.000 0.913 206 R CA 0.918 57.017 56.100 -0.002 0.000 1.104 206 R CB -0.512 29.786 30.300 -0.004 0.000 0.901 206 R HN 0.555 nan 8.270 nan 0.000 0.407 207 G N 2.644 111.444 108.800 0.001 0.000 2.155 207 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 207 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 207 G C 0.597 175.498 174.900 0.003 0.000 0.983 207 G CA 0.016 45.117 45.100 0.001 0.000 0.676 207 G HN 0.577 nan 8.290 nan 0.000 0.528 208 Q N 0.482 120.284 119.800 0.003 0.000 2.320 208 Q HA 0.153 4.493 4.340 0.000 0.000 0.201 208 Q C 0.704 176.707 176.000 0.004 0.000 0.910 208 Q CA 0.529 56.335 55.803 0.005 0.000 0.946 208 Q CB 0.141 28.883 28.738 0.008 0.000 1.062 208 Q HN 0.636 nan 8.270 nan 0.000 0.503 209 D N 0.831 121.232 120.400 0.002 0.000 2.702 209 D HA -0.168 4.472 4.640 0.000 0.000 0.233 209 D C 0.470 176.771 176.300 0.001 0.000 1.164 209 D CA 1.369 55.370 54.000 0.001 0.000 0.638 209 D CB -1.406 39.395 40.800 0.001 0.000 1.041 209 D HN 0.360 nan 8.370 nan 0.000 0.422 210 G N -0.159 108.642 108.800 0.002 0.000 2.572 210 G HA2 0.314 4.274 3.960 0.000 0.000 0.261 210 G HA3 0.314 4.274 3.960 0.000 0.000 0.261 210 G C 0.740 175.639 174.900 -0.002 0.000 1.197 210 G CA -0.298 44.803 45.100 0.002 0.000 0.870 210 G HN 0.009 nan 8.290 nan 0.000 0.548 211 E N -0.180 120.017 120.200 -0.005 0.000 2.603 211 E HA 0.044 4.394 4.350 0.000 0.000 0.211 211 E C 0.201 176.792 176.600 -0.015 0.000 0.995 211 E CA -0.135 56.259 56.400 -0.011 0.000 0.990 211 E CB 0.456 30.148 29.700 -0.013 0.000 1.036 211 E HN 0.775 nan 8.360 nan 0.000 0.475 212 D N 0.036 120.430 120.400 -0.010 0.000 2.354 212 D HA -0.002 4.638 4.640 0.000 0.000 0.247 212 D C 1.381 177.674 176.300 -0.013 0.000 1.138 212 D CA -0.591 53.401 54.000 -0.013 0.000 0.958 212 D CB 2.075 42.873 40.800 -0.003 0.000 1.144 212 D HN -0.143 nan 8.370 nan 0.000 0.458 213 L N 0.981 122.193 121.223 -0.018 0.000 2.021 213 L HA -0.232 4.108 4.340 0.000 0.000 0.215 213 L C 2.250 179.127 176.870 0.011 0.000 1.074 213 L CA 1.574 56.408 54.840 -0.009 0.000 0.760 213 L CB -1.051 41.005 42.059 -0.005 0.000 0.889 213 L HN 0.593 nan 8.230 nan 0.000 0.433 214 L N -0.911 120.323 121.223 0.019 0.000 1.989 214 L HA -0.238 4.103 4.340 0.000 0.000 0.211 214 L C 2.588 179.467 176.870 0.015 0.000 1.071 214 L CA 2.257 57.112 54.840 0.024 0.000 0.749 214 L CB -0.998 41.078 42.059 0.028 0.000 0.890 214 L HN 0.350 nan 8.230 nan 0.000 0.431 215 S N -0.294 115.411 115.700 0.010 0.000 2.387 215 S HA -0.252 4.219 4.470 0.000 0.000 0.230 215 S C 2.077 176.679 174.600 0.004 0.000 1.035 215 S CA 1.197 59.400 58.200 0.005 0.000 1.014 215 S CB -0.738 62.464 63.200 0.003 0.000 0.836 215 S HN 0.681 nan 8.310 nan 0.000 0.466 216 A N 1.625 124.446 122.820 0.002 0.000 1.865 216 A HA -0.062 4.258 4.320 0.000 0.000 0.217 216 A C 2.145 179.732 177.584 0.005 0.000 1.191 216 A CA 1.381 53.418 52.037 0.000 0.000 0.623 216 A CB -0.843 18.154 19.000 -0.005 0.000 0.826 216 A HN 0.460 nan 8.150 nan 0.000 0.444 217 L N -0.237 120.993 121.223 0.012 0.000 2.046 217 L HA -0.178 4.163 4.340 0.000 0.000 0.208 217 L C 2.511 179.388 176.870 0.012 0.000 1.077 217 L CA 1.211 56.061 54.840 0.016 0.000 0.747 217 L CB -0.674 41.401 42.059 0.027 0.000 0.896 217 L HN 0.279 nan 8.230 nan 0.000 0.432 218 V N -0.465 119.455 119.914 0.009 0.000 2.407 218 V HA -0.277 3.843 4.120 0.000 0.000 0.248 218 V C 2.591 178.686 176.094 0.002 0.000 1.055 218 V CA 1.688 63.991 62.300 0.005 0.000 1.049 218 V CB -0.726 31.098 31.823 0.002 0.000 0.662 218 V HN 0.402 nan 8.190 nan 0.000 0.455 219 R N -0.058 120.443 120.500 0.002 0.000 2.062 219 R HA -0.110 4.230 4.340 0.000 0.000 0.229 219 R C 2.535 178.836 176.300 0.001 0.000 1.128 219 R CA 1.907 58.008 56.100 0.001 0.000 0.960 219 R CB -0.636 29.664 30.300 0.000 0.000 0.855 219 R HN 0.584 nan 8.270 nan 0.000 0.432 220 T N 0.078 114.634 114.554 0.003 0.000 2.652 220 T HA -0.212 4.138 4.350 0.000 0.000 0.267 220 T C 1.906 176.608 174.700 0.004 0.000 1.039 220 T CA 1.855 63.957 62.100 0.004 0.000 1.153 220 T CB -0.456 68.416 68.868 0.007 0.000 0.863 220 T HN 0.208 nan 8.240 nan 0.000 0.428 221 S N 0.862 116.565 115.700 0.005 0.000 2.370 221 S HA -0.191 4.279 4.470 0.000 0.000 0.226 221 S C 1.772 176.372 174.600 -0.001 0.000 1.033 221 S CA 1.587 59.788 58.200 0.003 0.000 1.011 221 S CB -0.673 62.528 63.200 0.003 0.000 0.852 221 S HN 0.401 nan 8.310 nan 0.000 0.457 222 D N 1.038 121.437 120.400 -0.001 0.000 2.084 222 D HA -0.076 4.564 4.640 0.000 0.000 0.196 222 D C 2.040 178.339 176.300 -0.002 0.000 0.985 222 D CA 1.183 55.181 54.000 -0.003 0.000 0.826 222 D CB -0.721 40.077 40.800 -0.003 0.000 0.978 222 D HN 0.573 nan 8.370 nan 0.000 0.456 223 E N -0.004 120.196 120.200 -0.001 0.000 2.136 223 E HA -0.169 4.181 4.350 0.000 0.000 0.202 223 E C 0.183 176.783 176.600 -0.000 0.000 1.019 223 E CA 1.115 57.515 56.400 -0.000 0.000 0.819 223 E CB 0.148 29.848 29.700 -0.000 0.000 0.739 223 E HN 0.117 nan 8.360 nan 0.000 0.458 224 D N -2.206 118.194 120.400 0.000 0.000 2.470 224 D HA 0.118 4.759 4.640 0.000 0.000 0.233 224 D C 0.246 176.547 176.300 0.001 0.000 1.372 224 D CA -0.086 53.914 54.000 0.001 0.000 0.994 224 D CB 1.157 41.959 40.800 0.002 0.000 1.377 224 D HN 0.018 nan 8.370 nan 0.000 0.586 225 G N 1.383 110.182 108.800 -0.001 0.000 2.598 225 G HA2 -0.136 3.824 3.960 0.000 0.000 0.215 225 G HA3 -0.136 3.824 3.960 0.000 0.000 0.215 225 G C 1.291 176.191 174.900 -0.001 0.000 1.131 225 G CA 0.966 46.064 45.100 -0.003 0.000 0.785 225 G HN 0.470 nan 8.290 nan 0.000 0.539 226 S N -0.097 115.605 115.700 0.002 0.000 2.470 226 S HA 0.099 4.569 4.470 0.000 0.000 0.225 226 S C 2.100 176.706 174.600 0.010 0.000 1.006 226 S CA 0.166 58.370 58.200 0.006 0.000 0.934 226 S CB -0.049 63.155 63.200 0.007 0.000 0.778 226 S HN 0.384 nan 8.310 nan 0.000 0.517 227 R N -0.231 120.274 120.500 0.009 0.000 2.173 227 R HA 0.372 4.713 4.340 0.000 0.000 0.208 227 R C -0.556 175.752 176.300 0.013 0.000 1.035 227 R CA 0.416 56.523 56.100 0.011 0.000 1.004 227 R CB 0.077 30.382 30.300 0.008 0.000 0.917 227 R HN 0.376 nan 8.270 nan 0.000 0.462 228 L N 1.157 122.386 121.223 0.011 0.000 2.666 228 L HA 0.136 4.476 4.340 0.000 0.000 0.258 228 L C -0.272 176.600 176.870 0.003 0.000 0.991 228 L CA -0.370 54.477 54.840 0.012 0.000 0.916 228 L CB 1.230 43.297 42.059 0.014 0.000 1.199 228 L HN 0.056 nan 8.230 nan 0.000 0.439 229 T N 0.202 114.754 114.554 -0.003 0.000 2.734 229 T HA 0.186 4.536 4.350 0.000 0.000 0.314 229 T C 1.168 175.849 174.700 -0.032 0.000 1.057 229 T CA 0.427 62.512 62.100 -0.026 0.000 1.047 229 T CB 0.716 69.553 68.868 -0.052 0.000 0.991 229 T HN 0.587 nan 8.240 nan 0.000 0.540 230 S N 1.126 116.799 115.700 -0.045 0.000 2.383 230 S HA -0.075 4.395 4.470 0.000 0.000 0.227 230 S C 1.943 176.510 174.600 -0.055 0.000 1.026 230 S CA 1.259 59.434 58.200 -0.041 0.000 0.981 230 S CB -0.453 62.722 63.200 -0.042 0.000 0.818 230 S HN 0.826 nan 8.310 nan 0.000 0.472 231 E N 1.751 121.887 120.200 -0.107 0.000 2.047 231 E HA -0.094 4.256 4.350 0.000 0.000 0.191 231 E C 2.023 178.589 176.600 -0.057 0.000 0.987 231 E CA 1.063 57.375 56.400 -0.147 0.000 0.799 231 E CB -0.342 29.116 29.700 -0.404 0.000 0.752 231 E HN 0.553 nan 8.360 nan 0.000 0.449 232 E N 0.240 120.415 120.200 -0.042 0.000 2.118 232 E HA -0.204 4.146 4.350 0.000 0.000 0.195 232 E C 1.985 178.619 176.600 0.056 0.000 0.992 232 E CA 0.810 57.245 56.400 0.057 0.000 0.804 232 E CB -0.173 29.560 29.700 0.054 0.000 0.741 232 E HN 0.082 nan 8.360 nan 0.000 0.458 233 L N 1.179 122.418 121.223 0.026 0.000 1.989 233 L HA -0.186 4.154 4.340 0.000 0.000 0.211 233 L C 2.246 179.145 176.870 0.049 0.000 1.071 233 L CA 1.514 56.372 54.840 0.031 0.000 0.749 233 L CB -0.761 41.305 42.059 0.012 0.000 0.890 233 L HN 0.161 nan 8.230 nan 0.000 0.431 234 L N -0.063 121.182 121.223 0.037 0.000 1.955 234 L HA -0.064 4.276 4.340 0.000 0.000 0.213 234 L C 2.402 179.339 176.870 0.110 0.000 1.072 234 L CA 2.395 57.267 54.840 0.053 0.000 0.755 234 L CB -1.556 40.513 42.059 0.016 0.000 0.888 234 L HN 0.329 nan 8.230 nan 0.000 0.432 235 G N -0.571 108.299 108.800 0.117 0.000 2.513 235 G HA2 -0.429 3.531 3.960 0.000 0.000 0.219 235 G HA3 -0.429 3.531 3.960 0.000 0.000 0.219 235 G C 1.562 176.600 174.900 0.230 0.000 1.160 235 G CA 1.495 46.712 45.100 0.195 0.000 0.767 235 G HN 0.489 nan 8.290 nan 0.000 0.571 236 M N 1.713 121.401 119.600 0.146 0.000 2.115 236 M HA 0.044 4.525 4.480 0.000 0.000 0.258 236 M C 2.769 179.127 176.300 0.097 0.000 1.071 236 M CA 2.134 57.497 55.300 0.105 0.000 1.100 236 M CB -0.893 31.753 32.600 0.076 0.000 1.292 236 M HN 0.257 nan 8.290 nan 0.000 0.415 237 A N -0.589 122.295 122.820 0.107 0.000 1.917 237 A HA -0.288 4.032 4.320 0.000 0.000 0.219 237 A C 2.347 180.010 177.584 0.131 0.000 1.182 237 A CA 2.307 54.407 52.037 0.106 0.000 0.633 237 A CB -1.643 17.424 19.000 0.111 0.000 0.819 237 A HN 0.870 nan 8.150 nan 0.000 0.448 238 H N -0.787 118.347 119.070 0.106 0.000 2.290 238 H HA -0.151 4.405 4.556 0.000 0.000 0.298 238 H C 2.045 177.441 175.328 0.114 0.000 1.087 238 H CA 2.033 58.164 56.048 0.139 0.000 1.291 238 H CB -0.317 29.510 29.762 0.108 0.000 1.369 238 H HN 0.370 nan 8.280 nan 0.000 0.492 239 I N 1.361 121.734 120.570 -0.329 0.000 2.252 239 I HA -0.211 3.959 4.170 0.000 0.000 0.245 239 I C 2.553 178.556 176.117 -0.191 0.000 1.102 239 I CA 0.926 62.019 61.300 -0.344 0.000 1.385 239 I CB -0.537 37.424 38.000 -0.065 0.000 1.064 239 I HN 0.282 nan 8.210 nan 0.000 0.414 240 L N -0.716 120.445 121.223 -0.103 0.000 2.265 240 L HA -0.198 4.142 4.340 0.000 0.000 0.215 240 L C 2.289 179.094 176.870 -0.108 0.000 1.117 240 L CA 0.991 55.773 54.840 -0.096 0.000 0.782 240 L CB -0.531 41.521 42.059 -0.011 0.000 0.914 240 L HN 0.323 nan 8.230 nan 0.000 0.441 241 L N -0.782 120.368 121.223 -0.122 0.000 2.187 241 L HA -0.050 4.290 4.340 0.000 0.000 0.197 241 L C 2.232 178.988 176.870 -0.190 0.000 1.090 241 L CA 0.552 55.281 54.840 -0.185 0.000 0.781 241 L CB -0.251 41.698 42.059 -0.183 0.000 0.956 241 L HN 0.106 nan 8.230 nan 0.000 0.463 242 V N -2.936 116.925 119.914 -0.087 0.000 3.444 242 V HA 0.091 4.211 4.120 0.000 0.000 0.271 242 V C 1.733 177.867 176.094 0.066 0.000 1.188 242 V CA 1.150 63.491 62.300 0.068 0.000 1.168 242 V CB -0.877 31.083 31.823 0.229 0.000 0.810 242 V HN 0.326 nan 8.190 nan 0.000 0.500 243 A N 0.533 123.340 122.820 -0.021 0.000 2.197 243 A HA 0.545 4.865 4.320 0.000 0.000 0.210 243 A C 2.010 179.616 177.584 0.036 0.000 1.180 243 A CA 0.718 52.759 52.037 0.007 0.000 0.846 243 A CB -0.181 18.791 19.000 -0.047 0.000 0.884 243 A HN 0.692 nan 8.150 nan 0.000 0.487 244 G N -2.273 106.541 108.800 0.023 0.000 3.277 244 G HA2 0.264 4.224 3.960 0.000 0.000 0.243 244 G HA3 0.264 4.224 3.960 0.000 0.000 0.243 244 G C 0.742 175.734 174.900 0.153 0.000 1.107 244 G CA 0.044 45.178 45.100 0.055 0.000 0.771 244 G HN 0.606 nan 8.290 nan 0.000 0.544 245 H N 0.102 119.218 119.070 0.077 0.000 2.591 245 H HA 0.064 4.620 4.556 0.000 0.000 0.333 245 H C 2.063 177.479 175.328 0.146 0.000 1.222 245 H CA 0.008 56.132 56.048 0.128 0.000 1.819 245 H CB 0.515 30.407 29.762 0.216 0.000 1.581 245 H HN 0.014 nan 8.280 nan 0.000 0.682 246 E N 0.092 120.472 120.200 0.300 0.000 2.200 246 E HA -0.248 4.102 4.350 0.000 0.000 0.211 246 E C 2.112 178.790 176.600 0.130 0.000 1.048 246 E CA 2.174 58.670 56.400 0.161 0.000 0.851 246 E CB -0.705 29.088 29.700 0.154 0.000 0.747 246 E HN 0.658 nan 8.360 nan 0.000 0.462 247 T N -1.951 112.688 114.554 0.143 0.000 2.698 247 T HA -0.075 4.275 4.350 0.000 0.000 0.260 247 T C 2.074 176.844 174.700 0.116 0.000 1.044 247 T CA 1.800 63.969 62.100 0.115 0.000 1.149 247 T CB -0.775 68.160 68.868 0.111 0.000 0.864 247 T HN 0.018 nan 8.240 nan 0.000 0.419 248 T N 1.661 116.293 114.554 0.130 0.000 2.995 248 T HA 0.074 4.424 4.350 0.000 0.000 0.269 248 T C 2.072 176.831 174.700 0.098 0.000 1.091 248 T CA 0.712 62.883 62.100 0.119 0.000 1.128 248 T CB -0.378 68.555 68.868 0.109 0.000 0.891 248 T HN 0.233 nan 8.240 nan 0.000 0.492 249 V N 2.235 122.212 119.914 0.105 0.000 2.719 249 V HA -0.032 4.088 4.120 0.000 0.000 0.252 249 V C 2.123 178.271 176.094 0.091 0.000 1.065 249 V CA 1.103 63.461 62.300 0.097 0.000 1.086 249 V CB -0.370 31.537 31.823 0.140 0.000 0.700 249 V HN 0.461 nan 8.190 nan 0.000 0.467 250 N N -0.147 118.607 118.700 0.089 0.000 2.405 250 N HA 0.036 4.776 4.740 0.000 0.000 0.175 250 N C 1.632 177.206 175.510 0.107 0.000 1.051 250 N CA 0.450 53.553 53.050 0.089 0.000 0.899 250 N CB 0.217 38.759 38.487 0.091 0.000 1.000 250 N HN 0.374 nan 8.380 nan 0.000 0.451 251 L N 1.724 123.007 121.223 0.100 0.000 1.989 251 L HA -0.057 4.283 4.340 0.000 0.000 0.211 251 L C 1.949 178.881 176.870 0.102 0.000 1.071 251 L CA 1.503 56.402 54.840 0.099 0.000 0.749 251 L CB -0.654 41.466 42.059 0.101 0.000 0.890 251 L HN 0.016 nan 8.230 nan 0.000 0.431 252 I N -0.281 120.344 120.570 0.091 0.000 2.127 252 I HA -0.350 3.820 4.170 0.000 0.000 0.241 252 I C 2.647 178.816 176.117 0.087 0.000 1.075 252 I CA 1.392 62.741 61.300 0.081 0.000 1.334 252 I CB -0.915 37.123 38.000 0.063 0.000 1.040 252 I HN 0.442 nan 8.210 nan 0.000 0.405 253 A N 1.349 124.221 122.820 0.086 0.000 1.851 253 A HA -0.247 4.073 4.320 0.000 0.000 0.216 253 A C 2.090 179.752 177.584 0.130 0.000 1.195 253 A CA 2.226 54.312 52.037 0.082 0.000 0.622 253 A CB -0.877 18.151 19.000 0.046 0.000 0.831 253 A HN 0.440 nan 8.150 nan 0.000 0.444 254 N N 0.150 118.948 118.700 0.163 0.000 2.069 254 N HA -0.141 4.599 4.740 0.000 0.000 0.191 254 N C 1.865 177.485 175.510 0.184 0.000 1.031 254 N CA 1.598 54.801 53.050 0.255 0.000 0.852 254 N CB -1.064 37.577 38.487 0.257 0.000 1.018 254 N HN 0.501 nan 8.380 nan 0.000 0.423 255 G N 1.970 110.848 108.800 0.130 0.000 2.514 255 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 255 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 255 G C 1.514 176.453 174.900 0.065 0.000 1.198 255 G CA 1.160 46.320 45.100 0.099 0.000 0.780 255 G HN 0.118 nan 8.290 nan 0.000 0.565 256 M N -0.194 119.458 119.600 0.086 0.000 2.065 256 M HA -0.052 4.428 4.480 0.000 0.000 0.259 256 M C 2.399 178.736 176.300 0.061 0.000 1.071 256 M CA 0.960 56.306 55.300 0.075 0.000 1.109 256 M CB -1.705 30.945 32.600 0.082 0.000 1.313 256 M HN 0.426 nan 8.290 nan 0.000 0.408 257 Y N 1.298 121.607 120.300 0.015 0.000 2.228 257 Y HA -0.211 4.339 4.550 0.000 0.000 0.285 257 Y C 2.188 178.101 175.900 0.022 0.000 1.178 257 Y CA 1.834 59.941 58.100 0.011 0.000 1.202 257 Y CB -0.599 37.856 38.460 -0.009 0.000 0.974 257 Y HN 0.196 nan 8.280 nan 0.000 0.527 258 A N -0.157 122.431 122.820 -0.386 0.000 1.872 258 A HA -0.087 4.233 4.320 0.000 0.000 0.214 258 A C 2.120 179.407 177.584 -0.495 0.000 1.187 258 A CA 1.497 53.138 52.037 -0.659 0.000 0.614 258 A CB -1.091 17.401 19.000 -0.847 0.000 0.826 258 A HN 0.451 nan 8.150 nan 0.000 0.442 259 L N -0.371 120.745 121.223 -0.179 0.000 2.217 259 L HA 0.052 4.392 4.340 0.000 0.000 0.211 259 L C 2.069 178.986 176.870 0.078 0.000 1.107 259 L CA 1.291 56.211 54.840 0.133 0.000 0.783 259 L CB -0.386 41.778 42.059 0.175 0.000 0.919 259 L HN 0.376 nan 8.230 nan 0.000 0.442 260 L N -1.401 119.819 121.223 -0.005 0.000 2.418 260 L HA -0.001 4.339 4.340 0.000 0.000 0.218 260 L C 1.845 178.685 176.870 -0.050 0.000 1.125 260 L CA 0.894 55.738 54.840 0.007 0.000 0.835 260 L CB -0.334 41.750 42.059 0.041 0.000 0.953 260 L HN 0.389 nan 8.230 nan 0.000 0.454 261 S N -2.772 112.821 115.700 -0.179 0.000 2.568 261 S HA 0.088 4.558 4.470 0.000 0.000 0.232 261 S C 0.208 174.477 174.600 -0.550 0.000 0.975 261 S CA -0.398 57.612 58.200 -0.318 0.000 0.949 261 S CB -0.228 62.681 63.200 -0.485 0.000 0.829 261 S HN 0.422 nan 8.310 nan 0.000 0.479 262 H N 0.607 119.653 119.070 -0.040 0.000 2.514 262 H HA 0.369 4.926 4.556 0.000 0.000 0.226 262 H C -2.468 172.892 175.328 0.052 0.000 1.421 262 H CA -1.309 54.762 56.048 0.038 0.000 1.394 262 H CB 0.937 30.794 29.762 0.159 0.000 1.701 262 H HN 0.130 nan 8.280 nan 0.000 0.515 263 P HA -0.288 nan 4.420 nan 0.000 0.218 263 P C 1.542 178.879 177.300 0.061 0.000 1.152 263 P CA 1.857 64.989 63.100 0.054 0.000 0.857 263 P CB 0.363 32.078 31.700 0.026 0.000 0.787 264 D N -1.089 119.350 120.400 0.065 0.000 2.117 264 D HA -0.216 4.424 4.640 0.000 0.000 0.197 264 D C 1.603 177.922 176.300 0.032 0.000 0.987 264 D CA 1.331 55.356 54.000 0.042 0.000 0.829 264 D CB -0.795 40.026 40.800 0.036 0.000 0.961 264 D HN 0.187 nan 8.370 nan 0.000 0.460 265 Q N 0.004 119.840 119.800 0.060 0.000 2.083 265 Q HA -0.008 4.333 4.340 0.000 0.000 0.198 265 Q C 2.462 178.490 176.000 0.046 0.000 0.969 265 Q CA 0.266 56.080 55.803 0.017 0.000 0.838 265 Q CB -0.622 28.125 28.738 0.015 0.000 0.900 265 Q HN 0.314 nan 8.270 nan 0.000 0.436 266 L N 1.094 122.373 121.223 0.093 0.000 2.079 266 L HA -0.113 4.227 4.340 0.000 0.000 0.210 266 L C 2.056 178.953 176.870 0.044 0.000 1.081 266 L CA 2.093 56.979 54.840 0.077 0.000 0.752 266 L CB -1.062 41.044 42.059 0.079 0.000 0.896 266 L HN 0.115 nan 8.230 nan 0.000 0.433 267 A N -0.206 122.635 122.820 0.035 0.000 1.851 267 A HA -0.114 4.206 4.320 0.000 0.000 0.216 267 A C 2.484 180.073 177.584 0.008 0.000 1.195 267 A CA 2.390 54.439 52.037 0.021 0.000 0.622 267 A CB -1.430 17.581 19.000 0.017 0.000 0.831 267 A HN 0.609 nan 8.150 nan 0.000 0.444 268 A N -0.422 122.396 122.820 -0.003 0.000 1.848 268 A HA -0.202 4.118 4.320 0.000 0.000 0.217 268 A C 2.130 179.707 177.584 -0.012 0.000 1.220 268 A CA 2.167 54.193 52.037 -0.017 0.000 0.645 268 A CB -1.138 17.837 19.000 -0.041 0.000 0.842 268 A HN 0.903 nan 8.150 nan 0.000 0.451 269 L N -0.150 121.066 121.223 -0.012 0.000 2.103 269 L HA -0.254 4.086 4.340 0.000 0.000 0.215 269 L C 2.540 179.413 176.870 0.005 0.000 1.080 269 L CA 2.357 57.195 54.840 -0.003 0.000 0.764 269 L CB -0.654 41.411 42.059 0.010 0.000 0.890 269 L HN 0.429 nan 8.230 nan 0.000 0.435 270 R N -1.184 119.323 120.500 0.011 0.000 2.070 270 R HA -0.139 4.201 4.340 0.000 0.000 0.233 270 R C 2.238 178.542 176.300 0.007 0.000 1.137 270 R CA 1.420 57.528 56.100 0.013 0.000 0.945 270 R CB -0.694 29.617 30.300 0.018 0.000 0.845 270 R HN 0.536 nan 8.270 nan 0.000 0.430 271 A N 0.871 123.693 122.820 0.004 0.000 1.859 271 A HA -0.170 4.150 4.320 0.000 0.000 0.217 271 A C 0.864 178.446 177.584 -0.002 0.000 1.198 271 A CA 1.542 53.579 52.037 0.000 0.000 0.629 271 A CB -0.251 18.747 19.000 -0.003 0.000 0.830 271 A HN 0.288 nan 8.150 nan 0.000 0.446 272 D N -1.546 118.851 120.400 -0.006 0.000 2.492 272 D HA 0.437 5.077 4.640 0.000 0.000 0.248 272 D C 0.303 176.600 176.300 -0.006 0.000 1.101 272 D CA -0.491 53.504 54.000 -0.007 0.000 0.840 272 D CB 0.885 41.678 40.800 -0.012 0.000 1.209 272 D HN 0.024 nan 8.370 nan 0.000 0.524 273 M N 2.428 122.026 119.600 -0.003 0.000 2.563 273 M HA -0.002 4.478 4.480 0.000 0.000 0.231 273 M C 1.664 177.964 176.300 -0.001 0.000 1.136 273 M CA 0.373 55.672 55.300 -0.000 0.000 1.026 273 M CB -0.797 31.805 32.600 0.002 0.000 1.597 273 M HN 0.537 nan 8.290 nan 0.000 0.495 274 T N -2.707 111.844 114.554 -0.005 0.000 3.023 274 T HA 0.027 4.378 4.350 0.000 0.000 0.266 274 T C 1.637 176.332 174.700 -0.007 0.000 1.093 274 T CA 0.536 62.634 62.100 -0.004 0.000 1.129 274 T CB -0.360 68.504 68.868 -0.006 0.000 0.899 274 T HN 0.405 nan 8.240 nan 0.000 0.491 275 L N 0.200 121.414 121.223 -0.015 0.000 2.551 275 L HA 0.203 4.544 4.340 0.000 0.000 0.228 275 L C 2.310 179.168 176.870 -0.019 0.000 1.153 275 L CA -0.003 54.822 54.840 -0.026 0.000 0.851 275 L CB -0.786 41.249 42.059 -0.041 0.000 0.959 275 L HN 0.204 nan 8.230 nan 0.000 0.451 276 L N 0.746 121.967 121.223 -0.004 0.000 1.963 276 L HA -0.295 4.045 4.340 0.000 0.000 0.220 276 L C 1.876 178.756 176.870 0.018 0.000 1.076 276 L CA 2.269 57.115 54.840 0.010 0.000 0.772 276 L CB -0.536 41.532 42.059 0.016 0.000 0.892 276 L HN 0.215 nan 8.230 nan 0.000 0.435 277 D N -0.530 119.882 120.400 0.021 0.000 2.133 277 D HA -0.174 4.466 4.640 0.000 0.000 0.195 277 D C 2.035 178.350 176.300 0.026 0.000 0.997 277 D CA 1.607 55.627 54.000 0.034 0.000 0.840 277 D CB -0.633 40.188 40.800 0.035 0.000 0.947 277 D HN 0.569 nan 8.370 nan 0.000 0.452 278 G N -0.284 108.517 108.800 0.001 0.000 2.572 278 G HA2 0.030 3.990 3.960 0.000 0.000 0.216 278 G HA3 0.030 3.990 3.960 0.000 0.000 0.216 278 G C 1.490 176.357 174.900 -0.054 0.000 1.133 278 G CA 0.691 45.777 45.100 -0.023 0.000 0.791 278 G HN 0.377 nan 8.290 nan 0.000 0.538 279 A N -0.078 122.717 122.820 -0.042 0.000 1.943 279 A HA 0.273 4.593 4.320 0.000 0.000 0.213 279 A C 2.334 179.931 177.584 0.022 0.000 1.181 279 A CA 1.077 53.079 52.037 -0.057 0.000 0.653 279 A CB -0.470 18.506 19.000 -0.040 0.000 0.833 279 A HN 0.260 nan 8.150 nan 0.000 0.451 280 V N 0.267 120.208 119.914 0.045 0.000 2.913 280 V HA -0.145 3.975 4.120 0.000 0.000 0.260 280 V C 2.178 178.312 176.094 0.065 0.000 1.098 280 V CA 2.086 64.433 62.300 0.079 0.000 1.121 280 V CB -0.514 31.360 31.823 0.084 0.000 0.714 280 V HN 0.518 nan 8.190 nan 0.000 0.487 281 E N -0.128 120.081 120.200 0.016 0.000 2.060 281 E HA -0.164 4.187 4.350 0.000 0.000 0.189 281 E C 2.109 178.609 176.600 -0.166 0.000 0.974 281 E CA 1.108 57.472 56.400 -0.062 0.000 0.808 281 E CB -0.139 29.521 29.700 -0.068 0.000 0.768 281 E HN 0.680 nan 8.360 nan 0.000 0.453 282 E N 1.068 121.200 120.200 -0.113 0.000 2.204 282 E HA -0.125 4.225 4.350 0.000 0.000 0.195 282 E C 1.981 178.642 176.600 0.101 0.000 0.990 282 E CA 0.971 57.308 56.400 -0.105 0.000 0.821 282 E CB -0.157 29.419 29.700 -0.206 0.000 0.750 282 E HN 0.186 nan 8.360 nan 0.000 0.477 283 M N -0.384 119.332 119.600 0.194 0.000 2.086 283 M HA -0.145 4.335 4.480 0.000 0.000 0.261 283 M C 2.249 178.616 176.300 0.111 0.000 1.067 283 M CA 1.377 56.832 55.300 0.257 0.000 1.116 283 M CB -0.439 32.277 32.600 0.192 0.000 1.348 283 M HN 0.147 nan 8.290 nan 0.000 0.407 284 L N -0.275 120.948 121.223 -0.001 0.000 2.081 284 L HA -0.247 4.093 4.340 0.000 0.000 0.212 284 L C 2.816 179.598 176.870 -0.147 0.000 1.080 284 L CA 1.505 56.298 54.840 -0.079 0.000 0.754 284 L CB -0.607 41.373 42.059 -0.132 0.000 0.893 284 L HN 0.330 nan 8.230 nan 0.000 0.433 285 R N -1.136 119.188 120.500 -0.294 0.000 2.052 285 R HA -0.203 4.137 4.340 0.000 0.000 0.226 285 R C 2.514 178.705 176.300 -0.183 0.000 1.145 285 R CA 1.464 57.239 56.100 -0.541 0.000 0.952 285 R CB -0.577 29.368 30.300 -0.593 0.000 0.847 285 R HN 0.167 nan 8.270 nan 0.000 0.431 286 Y N 1.228 121.448 120.300 -0.133 0.000 2.030 286 Y HA -0.202 4.348 4.550 0.000 0.000 0.274 286 Y C 0.901 176.821 175.900 0.034 0.000 1.153 286 Y CA 2.092 60.176 58.100 -0.025 0.000 1.115 286 Y CB -0.089 38.431 38.460 0.100 0.000 0.969 286 Y HN 0.169 nan 8.280 nan 0.000 0.488 287 E N 0.747 120.948 120.200 0.002 0.000 3.388 287 E HA 0.285 4.636 4.350 0.000 0.000 0.214 287 E C -0.080 176.575 176.600 0.092 0.000 1.040 287 E CA -0.029 56.354 56.400 -0.027 0.000 1.327 287 E CB -0.270 29.435 29.700 0.007 0.000 1.243 287 E HN 0.440 nan 8.360 nan 0.000 0.444 288 G N 1.502 110.362 108.800 0.101 0.000 2.559 288 G HA2 0.035 3.995 3.960 0.000 0.000 0.235 288 G HA3 0.035 3.995 3.960 0.000 0.000 0.235 288 G C -1.559 173.388 174.900 0.078 0.000 1.266 288 G CA -0.903 44.245 45.100 0.081 0.000 0.847 288 G HN 0.208 nan 8.290 nan 0.000 0.583 289 P HA -0.059 nan 4.420 nan 0.000 0.215 289 P C 0.576 177.908 177.300 0.052 0.000 1.157 289 P CA 0.552 63.694 63.100 0.070 0.000 0.863 289 P CB 0.120 31.857 31.700 0.061 0.000 0.787 290 V N 1.142 121.069 119.914 0.022 0.000 2.389 290 V HA 0.081 4.201 4.120 0.000 0.000 0.264 290 V C 1.646 177.721 176.094 -0.031 0.000 1.049 290 V CA 0.156 62.459 62.300 0.006 0.000 0.932 290 V CB 0.569 32.388 31.823 -0.007 0.000 1.011 290 V HN 0.063 nan 8.190 nan 0.000 0.475 291 E N 2.995 123.174 120.200 -0.036 0.000 2.046 291 E HA -0.041 4.309 4.350 0.000 0.000 0.190 291 E C 0.329 176.836 176.600 -0.156 0.000 0.982 291 E CA 0.876 57.216 56.400 -0.100 0.000 0.800 291 E CB 0.345 30.003 29.700 -0.070 0.000 0.756 291 E HN 0.731 nan 8.360 nan 0.000 0.449 292 S N -0.201 115.442 115.700 -0.094 0.000 2.538 292 S HA 0.608 5.078 4.470 0.000 0.000 0.288 292 S C -0.572 173.995 174.600 -0.056 0.000 1.108 292 S CA -0.665 57.468 58.200 -0.111 0.000 0.971 292 S CB 1.882 65.030 63.200 -0.087 0.000 1.041 292 S HN 0.408 nan 8.310 nan 0.000 0.483 293 A N 2.396 125.166 122.820 -0.084 0.000 2.455 293 A HA 0.489 4.809 4.320 0.000 0.000 0.244 293 A C 1.036 178.612 177.584 -0.013 0.000 1.099 293 A CA -0.003 51.999 52.037 -0.060 0.000 0.786 293 A CB -0.520 18.420 19.000 -0.100 0.000 1.051 293 A HN 0.942 nan 8.150 nan 0.000 0.508 294 T N -1.531 113.021 114.554 -0.004 0.000 2.748 294 T HA 0.346 4.696 4.350 0.000 0.000 0.304 294 T C -0.045 174.681 174.700 0.043 0.000 1.041 294 T CA -0.188 61.952 62.100 0.065 0.000 1.033 294 T CB -0.083 68.794 68.868 0.015 0.000 0.995 294 T HN 0.326 nan 8.240 nan 0.000 0.536 295 Y N 1.160 121.313 120.300 -0.246 0.000 2.810 295 Y HA 0.217 4.767 4.550 0.000 0.000 0.332 295 Y C 1.362 176.753 175.900 -0.848 0.000 1.243 295 Y CA -0.079 57.715 58.100 -0.511 0.000 1.537 295 Y CB -0.142 37.987 38.460 -0.552 0.000 1.265 295 Y HN 0.498 nan 8.280 nan 0.000 0.572 296 R N 3.413 123.435 120.500 -0.796 0.000 2.628 296 R HA 0.555 4.895 4.340 0.000 0.000 0.288 296 R C -1.765 174.061 176.300 -0.790 0.000 0.980 296 R CA -0.844 54.835 56.100 -0.703 0.000 0.891 296 R CB 1.630 31.791 30.300 -0.231 0.000 1.188 296 R HN 0.462 nan 8.270 nan 0.000 0.450 297 F N 2.368 122.254 119.950 -0.106 0.000 2.493 297 F HA 0.415 4.942 4.527 0.000 0.000 0.329 297 F C -2.117 173.543 175.800 -0.232 0.000 1.126 297 F CA -2.805 55.104 58.000 -0.151 0.000 0.937 297 F CB 1.883 40.784 39.000 -0.165 0.000 1.146 297 F HN 0.198 nan 8.300 nan 0.000 0.442 298 P HA 0.017 nan 4.420 nan 0.000 0.271 298 P C 0.904 178.069 177.300 -0.224 0.000 1.220 298 P CA -0.142 62.679 63.100 -0.464 0.000 0.768 298 P CB 1.067 32.419 31.700 -0.580 0.000 0.848 299 V N 1.387 121.177 119.914 -0.207 0.000 2.667 299 V HA -0.042 4.078 4.120 0.000 0.000 0.252 299 V C 0.551 176.575 176.094 -0.116 0.000 1.065 299 V CA 1.215 63.446 62.300 -0.115 0.000 1.083 299 V CB -1.322 30.449 31.823 -0.088 0.000 0.692 299 V HN 0.584 nan 8.190 nan 0.000 0.468 300 E N -0.499 119.604 120.200 -0.162 0.000 2.429 300 E HA 0.617 4.967 4.350 0.000 0.000 0.276 300 E C -3.288 173.201 176.600 -0.184 0.000 0.953 300 E CA -2.853 53.465 56.400 -0.136 0.000 0.787 300 E CB 1.220 30.853 29.700 -0.112 0.000 1.307 300 E HN -0.001 nan 8.360 nan 0.000 0.458 301 P HA 0.052 nan 4.420 nan 0.000 0.268 301 P C -0.980 176.201 177.300 -0.198 0.000 1.204 301 P CA -0.205 62.792 63.100 -0.171 0.000 0.768 301 P CB 0.608 32.242 31.700 -0.111 0.000 0.842 302 V N 3.436 123.195 119.914 -0.258 0.000 2.448 302 V HA 0.174 4.294 4.120 0.000 0.000 0.295 302 V C -0.023 175.975 176.094 -0.158 0.000 1.025 302 V CA -0.340 61.832 62.300 -0.213 0.000 0.859 302 V CB 1.660 33.315 31.823 -0.280 0.000 0.988 302 V HN 0.457 nan 8.190 nan 0.000 0.431 303 D N 5.053 125.396 120.400 -0.095 0.000 2.483 303 D HA 0.152 4.793 4.640 0.000 0.000 0.220 303 D C 0.277 176.547 176.300 -0.050 0.000 1.173 303 D CA -0.014 53.943 54.000 -0.071 0.000 0.964 303 D CB 0.380 41.153 40.800 -0.045 0.000 1.046 303 D HN 0.433 nan 8.370 nan 0.000 0.517 304 L N 3.996 125.178 121.223 -0.068 0.000 2.511 304 L HA 0.086 4.426 4.340 0.000 0.000 0.239 304 L C 0.331 177.178 176.870 -0.037 0.000 1.400 304 L CA -0.017 54.795 54.840 -0.047 0.000 1.226 304 L CB -0.543 41.473 42.059 -0.071 0.000 1.475 304 L HN 0.542 nan 8.230 nan 0.000 0.428 305 D N 1.791 122.177 120.400 -0.024 0.000 4.288 305 D HA -0.192 4.448 4.640 0.000 0.000 0.234 305 D C 1.022 177.319 176.300 -0.005 0.000 1.054 305 D CA 0.910 54.903 54.000 -0.012 0.000 1.227 305 D CB 0.000 40.794 40.800 -0.010 0.000 0.788 305 D HN 0.811 nan 8.370 nan 0.000 0.393 306 G N 2.928 111.728 108.800 0.001 0.000 3.078 306 G HA2 -0.348 3.612 3.960 0.000 0.000 0.227 306 G HA3 -0.348 3.612 3.960 0.000 0.000 0.227 306 G C 0.505 175.417 174.900 0.020 0.000 1.306 306 G CA 1.062 46.170 45.100 0.014 0.000 0.841 306 G HN 0.941 nan 8.290 nan 0.000 0.530 307 T N 1.826 116.391 114.554 0.018 0.000 2.780 307 T HA 0.561 4.911 4.350 0.000 0.000 0.294 307 T C 0.021 174.700 174.700 -0.035 0.000 0.949 307 T CA -0.157 61.967 62.100 0.041 0.000 1.074 307 T CB 2.485 71.404 68.868 0.085 0.000 0.910 307 T HN 0.590 nan 8.240 nan 0.000 0.501 308 V N 5.056 124.950 119.914 -0.033 0.000 2.398 308 V HA 0.429 4.549 4.120 0.000 0.000 0.286 308 V C 0.105 176.040 176.094 -0.265 0.000 1.026 308 V CA -0.824 61.405 62.300 -0.118 0.000 0.868 308 V CB 1.171 32.963 31.823 -0.053 0.000 0.982 308 V HN 0.786 nan 8.190 nan 0.000 0.443 309 I N 6.936 127.226 120.570 -0.466 0.000 2.336 309 I HA 0.382 4.553 4.170 0.000 0.000 0.292 309 I C -2.387 173.499 176.117 -0.384 0.000 0.991 309 I CA -2.102 58.732 61.300 -0.777 0.000 1.227 309 I CB 1.990 39.306 38.000 -1.140 0.000 1.366 309 I HN 0.388 nan 8.210 nan 0.000 0.466 310 P HA 0.075 nan 4.420 nan 0.000 0.269 310 P C -0.541 176.696 177.300 -0.106 0.000 1.215 310 P CA -0.270 62.788 63.100 -0.070 0.000 0.780 310 P CB 0.623 32.361 31.700 0.063 0.000 0.898 311 A N 2.184 124.951 122.820 -0.087 0.000 2.477 311 A HA 0.468 4.788 4.320 0.000 0.000 0.246 311 A C 1.489 179.050 177.584 -0.039 0.000 1.078 311 A CA 0.743 52.724 52.037 -0.093 0.000 0.770 311 A CB -1.267 17.685 19.000 -0.080 0.000 1.011 311 A HN 0.837 nan 8.150 nan 0.000 0.494 312 G N 1.643 110.430 108.800 -0.021 0.000 2.241 312 G HA2 -0.196 3.764 3.960 0.000 0.000 0.244 312 G HA3 -0.196 3.764 3.960 0.000 0.000 0.244 312 G C 0.105 175.059 174.900 0.089 0.000 0.998 312 G CA 0.301 45.399 45.100 -0.004 0.000 0.621 312 G HN 0.802 nan 8.290 nan 0.000 0.519 313 D N 1.337 121.818 120.400 0.135 0.000 2.382 313 D HA 0.414 5.054 4.640 0.000 0.000 0.240 313 D C 0.470 176.975 176.300 0.341 0.000 1.146 313 D CA 0.711 54.869 54.000 0.264 0.000 0.897 313 D CB 0.779 41.821 40.800 0.404 0.000 1.197 313 D HN 0.109 nan 8.370 nan 0.000 0.432 314 T N 1.285 116.047 114.554 0.348 0.000 2.729 314 T HA 0.287 4.637 4.350 0.000 0.000 0.296 314 T C 0.150 174.897 174.700 0.079 0.000 0.928 314 T CA -0.544 61.656 62.100 0.167 0.000 1.045 314 T CB 0.613 69.477 68.868 -0.008 0.000 0.902 314 T HN -0.010 nan 8.240 nan 0.000 0.500 315 V N 5.793 125.676 119.914 -0.052 0.000 2.435 315 V HA 0.456 4.576 4.120 0.000 0.000 0.290 315 V C -0.056 175.953 176.094 -0.142 0.000 1.030 315 V CA -0.854 61.450 62.300 0.006 0.000 0.881 315 V CB 1.415 33.292 31.823 0.090 0.000 0.983 315 V HN 0.725 nan 8.190 nan 0.000 0.445 316 L N 5.160 126.324 121.223 -0.097 0.000 2.345 316 L HA 0.465 4.805 4.340 0.000 0.000 0.274 316 L C -0.401 176.387 176.870 -0.136 0.000 0.999 316 L CA -0.694 54.066 54.840 -0.134 0.000 0.849 316 L CB 1.718 43.711 42.059 -0.110 0.000 1.220 316 L HN 0.348 nan 8.230 nan 0.000 0.422 317 V N 4.132 123.940 119.914 -0.177 0.000 2.479 317 V HA -0.002 4.119 4.120 0.000 0.000 0.281 317 V C 0.605 176.572 176.094 -0.213 0.000 1.031 317 V CA -0.155 62.023 62.300 -0.205 0.000 1.038 317 V CB 1.508 33.194 31.823 -0.229 0.000 0.981 317 V HN 0.439 nan 8.190 nan 0.000 0.478 318 V N 7.718 127.480 119.914 -0.254 0.000 2.276 318 V HA 0.121 4.241 4.120 0.000 0.000 0.249 318 V C 1.358 177.244 176.094 -0.346 0.000 1.160 318 V CA -0.076 62.010 62.300 -0.357 0.000 1.042 318 V CB -0.120 31.366 31.823 -0.562 0.000 1.224 318 V HN 0.761 nan 8.190 nan 0.000 0.496 319 L N 3.034 124.064 121.223 -0.321 0.000 2.043 319 L HA -0.231 4.109 4.340 0.000 0.000 0.212 319 L C 2.755 179.291 176.870 -0.556 0.000 1.075 319 L CA 1.910 56.493 54.840 -0.427 0.000 0.752 319 L CB -0.683 41.182 42.059 -0.324 0.000 0.891 319 L HN 0.680 nan 8.230 nan 0.000 0.432 320 A N 0.181 122.787 122.820 -0.357 0.000 1.892 320 A HA -0.335 3.985 4.320 0.000 0.000 0.218 320 A C 1.987 179.542 177.584 -0.050 0.000 1.188 320 A CA 2.500 54.423 52.037 -0.190 0.000 0.631 320 A CB -0.740 18.096 19.000 -0.273 0.000 0.822 320 A HN 0.475 nan 8.150 nan 0.000 0.447 321 D N -0.872 119.437 120.400 -0.152 0.000 2.123 321 D HA 0.070 4.710 4.640 0.000 0.000 0.200 321 D C 2.079 178.447 176.300 0.113 0.000 0.976 321 D CA 1.405 55.428 54.000 0.037 0.000 0.831 321 D CB -0.229 40.547 40.800 -0.041 0.000 0.974 321 D HN 0.338 nan 8.370 nan 0.000 0.469 322 A N -0.496 122.344 122.820 0.033 0.000 1.978 322 A HA -0.222 4.098 4.320 0.000 0.000 0.220 322 A C 1.829 179.693 177.584 0.467 0.000 1.170 322 A CA 1.604 53.790 52.037 0.248 0.000 0.636 322 A CB -1.087 17.980 19.000 0.111 0.000 0.810 322 A HN 0.521 nan 8.150 nan 0.000 0.448 323 H N -1.826 117.344 119.070 0.166 0.000 2.524 323 H HA 0.061 4.617 4.556 0.000 0.000 0.282 323 H C 1.299 176.572 175.328 -0.091 0.000 1.016 323 H CA 0.358 56.333 56.048 -0.122 0.000 1.270 323 H CB 0.312 29.996 29.762 -0.131 0.000 1.394 323 H HN 0.207 nan 8.280 nan 0.000 0.568 324 R N 0.287 120.924 120.500 0.229 0.000 2.472 324 R HA 0.113 4.453 4.340 0.000 0.000 0.279 324 R C 0.035 176.433 176.300 0.165 0.000 0.953 324 R CA 0.029 56.220 56.100 0.153 0.000 1.088 324 R CB 0.106 30.561 30.300 0.258 0.000 1.197 324 R HN 0.010 nan 8.270 nan 0.000 0.536 325 T N 4.749 119.459 114.554 0.261 0.000 2.775 325 T HA 0.066 4.416 4.350 0.000 0.000 0.281 325 T C -1.450 173.346 174.700 0.160 0.000 0.908 325 T CA -1.003 61.227 62.100 0.217 0.000 1.123 325 T CB 1.188 70.217 68.868 0.269 0.000 0.879 325 T HN 0.087 nan 8.240 nan 0.000 0.547 326 P HA -0.140 nan 4.420 nan 0.000 0.222 326 P C 0.642 177.941 177.300 -0.001 0.000 1.142 326 P CA 1.098 64.219 63.100 0.035 0.000 0.788 326 P CB 0.367 32.079 31.700 0.021 0.000 0.767 327 E N -1.155 119.042 120.200 -0.004 0.000 2.502 327 E HA -0.044 4.306 4.350 0.000 0.000 0.194 327 E C 2.026 178.536 176.600 -0.150 0.000 1.062 327 E CA 0.413 56.784 56.400 -0.049 0.000 0.867 327 E CB -0.178 29.513 29.700 -0.015 0.000 0.888 327 E HN 0.107 nan 8.360 nan 0.000 0.510 328 R N -0.792 119.566 120.500 -0.236 0.000 2.350 328 R HA 0.258 4.598 4.340 0.000 0.000 0.199 328 R C -0.665 175.148 176.300 -0.813 0.000 0.876 328 R CA 0.466 56.195 56.100 -0.619 0.000 1.062 328 R CB 0.556 30.270 30.300 -0.978 0.000 1.263 328 R HN -0.002 nan 8.270 nan 0.000 0.641 329 F N 2.156 122.011 119.950 -0.158 0.000 2.552 329 F HA 0.505 5.032 4.527 0.000 0.000 0.369 329 F C -2.163 173.578 175.800 -0.098 0.000 1.112 329 F CA -2.702 55.227 58.000 -0.118 0.000 1.129 329 F CB 1.681 40.630 39.000 -0.086 0.000 1.360 329 F HN -0.132 nan 8.300 nan 0.000 0.473 330 P HA -0.060 nan 4.420 nan 0.000 0.267 330 P C 0.050 177.347 177.300 -0.005 0.000 1.201 330 P CA 0.398 63.493 63.100 -0.008 0.000 0.775 330 P CB 0.470 32.152 31.700 -0.031 0.000 0.854 331 D N 1.549 121.935 120.400 -0.024 0.000 2.704 331 D HA -0.152 4.488 4.640 0.000 0.000 0.232 331 D C -1.017 175.240 176.300 -0.071 0.000 1.183 331 D CA 0.325 54.304 54.000 -0.035 0.000 0.647 331 D CB -0.467 40.318 40.800 -0.026 0.000 1.013 331 D HN 0.247 nan 8.370 nan 0.000 0.415 332 P HA -0.237 nan 4.420 nan 0.000 0.209 332 P C 1.157 178.338 177.300 -0.199 0.000 1.167 332 P CA 1.621 64.583 63.100 -0.231 0.000 0.941 332 P CB -0.299 31.127 31.700 -0.457 0.000 0.787 333 H N -1.115 118.004 119.070 0.082 0.000 2.570 333 H HA 0.032 4.588 4.556 0.000 0.000 0.280 333 H C 1.261 176.659 175.328 0.118 0.000 1.038 333 H CA 0.462 56.584 56.048 0.123 0.000 1.186 333 H CB -0.754 29.047 29.762 0.064 0.000 1.339 333 H HN 0.228 nan 8.280 nan 0.000 0.615 334 R N 0.869 121.390 120.500 0.036 0.000 2.229 334 R HA 0.074 4.414 4.340 0.000 0.000 0.328 334 R C -0.999 175.110 176.300 -0.319 0.000 1.009 334 R CA -0.741 55.302 56.100 -0.096 0.000 0.864 334 R CB 0.186 30.442 30.300 -0.072 0.000 1.085 334 R HN -0.056 nan 8.270 nan 0.000 0.453 335 F N 5.489 124.939 119.950 -0.833 0.000 2.509 335 F HA 0.166 4.693 4.527 0.000 0.000 0.350 335 F C -0.588 174.867 175.800 -0.575 0.000 1.220 335 F CA -0.669 56.677 58.000 -1.090 0.000 1.151 335 F CB 0.181 38.108 39.000 -1.788 0.000 1.379 335 F HN 0.430 nan 8.300 nan 0.000 0.610 336 D N 6.520 126.476 120.400 -0.739 0.000 2.344 336 D HA 0.131 4.771 4.640 0.000 0.000 0.239 336 D C 1.030 176.948 176.300 -0.637 0.000 1.064 336 D CA -0.415 53.233 54.000 -0.587 0.000 0.829 336 D CB 1.078 41.690 40.800 -0.314 0.000 1.129 336 D HN 0.647 nan 8.370 nan 0.000 0.506 337 I N 1.045 121.240 120.570 -0.624 0.000 3.564 337 I HA 0.193 4.363 4.170 0.000 0.000 0.294 337 I C 1.165 177.132 176.117 -0.249 0.000 1.289 337 I CA 0.131 61.161 61.300 -0.451 0.000 1.325 337 I CB 0.237 38.016 38.000 -0.369 0.000 1.039 337 I HN 0.058 nan 8.210 nan 0.000 0.474 338 R N 1.646 122.015 120.500 -0.218 0.000 2.586 338 R HA 0.279 4.619 4.340 0.000 0.000 0.336 338 R C 0.708 176.936 176.300 -0.121 0.000 1.060 338 R CA -0.381 55.636 56.100 -0.138 0.000 1.079 338 R CB 0.303 30.534 30.300 -0.114 0.000 1.317 338 R HN 0.387 nan 8.270 nan 0.000 0.568 339 R N 0.447 120.859 120.500 -0.146 0.000 2.649 339 R HA 0.015 4.355 4.340 0.000 0.000 0.270 339 R C -0.713 175.553 176.300 -0.055 0.000 1.105 339 R CA -0.239 55.800 56.100 -0.102 0.000 1.193 339 R CB 0.623 30.849 30.300 -0.123 0.000 1.120 339 R HN -0.171 nan 8.270 nan 0.000 0.561 340 D N 0.732 121.123 120.400 -0.016 0.000 2.411 340 D HA 0.058 4.699 4.640 0.000 0.000 0.225 340 D C 0.228 176.577 176.300 0.081 0.000 1.156 340 D CA -0.176 53.829 54.000 0.009 0.000 0.874 340 D CB 1.150 41.941 40.800 -0.015 0.000 1.034 340 D HN 0.579 nan 8.370 nan 0.000 0.502 341 T N 0.600 115.190 114.554 0.060 0.000 3.144 341 T HA 0.330 4.680 4.350 0.000 0.000 0.249 341 T C 0.868 175.706 174.700 0.231 0.000 1.089 341 T CA -0.416 61.731 62.100 0.078 0.000 0.989 341 T CB 0.046 68.824 68.868 -0.151 0.000 0.992 341 T HN 0.348 nan 8.240 nan 0.000 0.540 342 A N 0.931 123.867 122.820 0.193 0.000 2.476 342 A HA 0.554 4.875 4.320 0.000 0.000 0.275 342 A C 1.577 179.308 177.584 0.246 0.000 1.133 342 A CA 0.155 52.316 52.037 0.207 0.000 0.797 342 A CB -1.189 17.867 19.000 0.092 0.000 1.081 342 A HN 1.413 nan 8.150 nan 0.000 0.510 343 G N 2.401 111.412 108.800 0.352 0.000 2.148 343 G HA2 -0.174 3.786 3.960 0.000 0.000 0.203 343 G HA3 -0.174 3.786 3.960 0.000 0.000 0.203 343 G C 0.131 175.359 174.900 0.546 0.000 0.993 343 G CA 0.059 45.358 45.100 0.332 0.000 0.661 343 G HN 1.658 nan 8.290 nan 0.000 0.518 344 H N -0.111 119.212 119.070 0.421 0.000 2.745 344 H HA 0.450 5.006 4.556 0.000 0.000 0.373 344 H C 1.137 176.724 175.328 0.432 0.000 1.226 344 H CA -0.377 55.897 56.048 0.377 0.000 1.435 344 H CB 0.631 30.328 29.762 -0.109 0.000 1.461 344 H HN 0.152 nan 8.280 nan 0.000 0.616 345 L N 1.024 122.618 121.223 0.619 0.000 2.700 345 L HA 0.201 4.541 4.340 0.000 0.000 0.234 345 L C 2.382 179.357 176.870 0.175 0.000 1.156 345 L CA 0.270 55.280 54.840 0.284 0.000 0.946 345 L CB -0.268 41.866 42.059 0.126 0.000 1.216 345 L HN 0.734 nan 8.230 nan 0.000 0.493 346 A N 1.076 124.014 122.820 0.197 0.000 1.954 346 A HA -0.234 4.086 4.320 0.000 0.000 0.222 346 A C 1.654 179.038 177.584 -0.333 0.000 1.199 346 A CA 1.994 53.997 52.037 -0.057 0.000 0.657 346 A CB -0.658 18.242 19.000 -0.167 0.000 0.823 346 A HN 0.490 nan 8.150 nan 0.000 0.463 347 F N -1.032 118.862 119.950 -0.093 0.000 2.639 347 F HA 0.454 4.981 4.527 0.000 0.000 0.302 347 F C 1.429 177.009 175.800 -0.366 0.000 1.097 347 F CA 0.326 58.125 58.000 -0.336 0.000 1.294 347 F CB 0.195 38.781 39.000 -0.691 0.000 1.027 347 F HN 0.554 nan 8.300 nan 0.000 0.550 348 G N 0.636 109.471 108.800 0.057 0.000 2.698 348 G HA2 -0.133 3.827 3.960 0.000 0.000 0.225 348 G HA3 -0.133 3.827 3.960 0.000 0.000 0.225 348 G C -1.512 173.641 174.900 0.422 0.000 1.345 348 G CA -0.603 44.586 45.100 0.148 0.000 0.871 348 G HN 0.537 nan 8.290 nan 0.000 0.540 349 H N -0.683 118.530 119.070 0.239 0.000 3.038 349 H HA 0.722 5.279 4.556 0.000 0.000 0.362 349 H C 0.459 175.879 175.328 0.152 0.000 1.167 349 H CA 1.787 57.973 56.048 0.229 0.000 1.197 349 H CB 1.349 31.163 29.762 0.087 0.000 1.840 349 H HN 2.668 nan 8.280 nan 0.000 0.540 350 G N 2.289 110.828 108.800 -0.435 0.000 2.447 350 G HA2 -0.182 3.778 3.960 0.000 0.000 0.220 350 G HA3 -0.182 3.778 3.960 0.000 0.000 0.220 350 G C 1.100 175.947 174.900 -0.088 0.000 1.261 350 G CA -0.100 44.809 45.100 -0.318 0.000 1.000 350 G HN 1.196 nan 8.290 nan 0.000 0.515 351 I N -2.604 117.908 120.570 -0.097 0.000 2.493 351 I HA 0.040 4.210 4.170 0.000 0.000 0.254 351 I C 1.658 177.729 176.117 -0.077 0.000 1.160 351 I CA 1.750 62.976 61.300 -0.123 0.000 1.445 351 I CB -0.328 37.478 38.000 -0.322 0.000 1.086 351 I HN 0.490 nan 8.210 nan 0.000 0.433 352 H N 0.901 119.976 119.070 0.009 0.000 2.536 352 H HA 0.144 4.700 4.556 0.000 0.000 0.276 352 H C 0.064 175.479 175.328 0.145 0.000 1.019 352 H CA -0.299 55.820 56.048 0.118 0.000 1.159 352 H CB -0.303 29.471 29.762 0.020 0.000 1.373 352 H HN 0.341 nan 8.280 nan 0.000 0.584 353 F N 1.908 121.914 119.950 0.094 0.000 2.623 353 F HA -0.066 4.461 4.527 0.000 0.000 0.383 353 F C 0.915 176.754 175.800 0.065 0.000 1.077 353 F CA -0.497 57.553 58.000 0.084 0.000 1.268 353 F CB 0.308 39.338 39.000 0.049 0.000 1.053 353 F HN 0.135 nan 8.300 nan 0.000 0.571 354 C N 8.705 127.698 119.300 -0.511 0.000 2.067 354 C HA -0.140 4.320 4.460 0.000 0.000 0.397 354 C C 1.899 176.760 174.990 -0.215 0.000 1.545 354 C CA 0.255 59.055 59.018 -0.364 0.000 1.460 354 C CB -1.788 25.679 27.740 -0.454 0.000 2.591 354 C HN 0.980 nan 8.230 nan 0.000 0.585 355 I N 4.442 124.915 120.570 -0.162 0.000 2.876 355 I HA 0.169 4.339 4.170 0.000 0.000 0.264 355 I C 1.805 177.774 176.117 -0.247 0.000 1.204 355 I CA 1.433 62.637 61.300 -0.159 0.000 1.485 355 I CB -0.080 37.773 38.000 -0.245 0.000 1.103 355 I HN 0.868 nan 8.210 nan 0.000 0.446 356 G N -0.358 108.259 108.800 -0.306 0.000 3.805 356 G HA2 0.310 4.270 3.960 0.000 0.000 0.290 356 G HA3 0.310 4.270 3.960 0.000 0.000 0.290 356 G C 1.281 176.063 174.900 -0.197 0.000 1.077 356 G CA 0.420 45.381 45.100 -0.232 0.000 0.852 356 G HN 0.393 nan 8.290 nan 0.000 0.531 357 A N 1.787 124.377 122.820 -0.383 0.000 1.940 357 A HA 0.044 4.364 4.320 0.000 0.000 0.219 357 A C 0.507 177.892 177.584 -0.332 0.000 1.176 357 A CA 1.555 53.128 52.037 -0.773 0.000 0.631 357 A CB -0.714 17.630 19.000 -1.094 0.000 0.814 357 A HN 0.350 nan 8.150 nan 0.000 0.446 358 P HA -0.106 nan 4.420 nan 0.000 0.215 358 P C 1.666 178.983 177.300 0.028 0.000 1.157 358 P CA 0.679 63.772 63.100 -0.012 0.000 0.859 358 P CB -0.050 31.672 31.700 0.038 0.000 0.786 359 L N -0.335 120.928 121.223 0.066 0.000 2.046 359 L HA -0.076 4.264 4.340 0.000 0.000 0.208 359 L C 2.122 179.034 176.870 0.070 0.000 1.077 359 L CA 1.924 56.819 54.840 0.092 0.000 0.747 359 L CB -1.647 40.520 42.059 0.179 0.000 0.896 359 L HN -0.137 nan 8.230 nan 0.000 0.432 360 A N -0.308 122.549 122.820 0.062 0.000 1.835 360 A HA -0.247 4.073 4.320 0.000 0.000 0.215 360 A C 2.425 180.084 177.584 0.126 0.000 1.199 360 A CA 1.888 53.992 52.037 0.112 0.000 0.615 360 A CB -0.687 18.428 19.000 0.192 0.000 0.838 360 A HN 0.439 nan 8.150 nan 0.000 0.444 361 R N -1.158 119.423 120.500 0.134 0.000 2.134 361 R HA -0.227 4.113 4.340 0.000 0.000 0.248 361 R C 2.129 178.486 176.300 0.094 0.000 1.143 361 R CA 1.840 58.025 56.100 0.142 0.000 0.957 361 R CB -0.735 29.638 30.300 0.121 0.000 0.867 361 R HN 0.527 nan 8.270 nan 0.000 0.441 362 L N 1.325 122.588 121.223 0.067 0.000 1.956 362 L HA -0.231 4.109 4.340 0.000 0.000 0.216 362 L C 1.833 178.730 176.870 0.045 0.000 1.073 362 L CA 1.947 56.816 54.840 0.049 0.000 0.762 362 L CB -0.593 41.488 42.059 0.037 0.000 0.889 362 L HN 0.194 nan 8.230 nan 0.000 0.433 363 E N -0.441 119.787 120.200 0.046 0.000 2.035 363 E HA -0.334 4.016 4.350 0.000 0.000 0.204 363 E C 2.129 178.755 176.600 0.042 0.000 1.025 363 E CA 1.592 58.013 56.400 0.035 0.000 0.835 363 E CB -0.524 29.197 29.700 0.034 0.000 0.764 363 E HN 0.680 nan 8.360 nan 0.000 0.457 364 A N 1.335 124.194 122.820 0.065 0.000 1.884 364 A HA -0.295 4.025 4.320 0.000 0.000 0.219 364 A C 2.096 179.717 177.584 0.061 0.000 1.197 364 A CA 2.071 54.151 52.037 0.072 0.000 0.637 364 A CB -0.680 18.383 19.000 0.104 0.000 0.827 364 A HN 0.138 nan 8.150 nan 0.000 0.450 365 R N -0.688 119.850 120.500 0.063 0.000 2.083 365 R HA -0.111 4.229 4.340 0.000 0.000 0.237 365 R C 2.070 178.390 176.300 0.033 0.000 1.137 365 R CA 1.801 57.932 56.100 0.051 0.000 0.951 365 R CB -0.525 29.806 30.300 0.051 0.000 0.851 365 R HN 0.640 nan 8.270 nan 0.000 0.434 366 I N 0.264 120.850 120.570 0.026 0.000 2.315 366 I HA -0.225 3.945 4.170 0.000 0.000 0.248 366 I C 2.585 178.706 176.117 0.006 0.000 1.117 366 I CA 1.017 62.324 61.300 0.012 0.000 1.404 366 I CB -0.475 37.529 38.000 0.006 0.000 1.071 366 I HN 0.211 nan 8.210 nan 0.000 0.419 367 A N 0.833 123.659 122.820 0.011 0.000 1.858 367 A HA -0.149 4.172 4.320 0.000 0.000 0.216 367 A C 2.469 180.057 177.584 0.007 0.000 1.190 367 A CA 1.800 53.840 52.037 0.005 0.000 0.617 367 A CB -1.010 17.999 19.000 0.014 0.000 0.827 367 A HN 0.200 nan 8.150 nan 0.000 0.443 368 V N 0.416 120.344 119.914 0.023 0.000 2.233 368 V HA -0.301 3.819 4.120 0.000 0.000 0.247 368 V C 2.641 178.743 176.094 0.013 0.000 1.050 368 V CA 2.566 64.882 62.300 0.027 0.000 1.010 368 V CB -0.938 30.912 31.823 0.046 0.000 0.637 368 V HN 0.751 nan 8.190 nan 0.000 0.444 369 R N 1.293 121.801 120.500 0.013 0.000 2.196 369 R HA -0.294 4.046 4.340 0.000 0.000 0.244 369 R C 2.102 178.396 176.300 -0.009 0.000 1.121 369 R CA 2.697 58.800 56.100 0.005 0.000 0.930 369 R CB -1.381 28.922 30.300 0.005 0.000 0.890 369 R HN 0.441 nan 8.270 nan 0.000 0.435 370 A N 0.495 123.305 122.820 -0.018 0.000 1.859 370 A HA -0.196 4.124 4.320 0.000 0.000 0.218 370 A C 2.447 179.999 177.584 -0.055 0.000 1.209 370 A CA 2.146 54.160 52.037 -0.038 0.000 0.639 370 A CB -1.036 17.937 19.000 -0.045 0.000 0.835 370 A HN 0.409 nan 8.150 nan 0.000 0.450 371 L N -0.649 120.540 121.223 -0.056 0.000 1.963 371 L HA -0.277 4.063 4.340 0.000 0.000 0.220 371 L C 2.690 179.530 176.870 -0.050 0.000 1.076 371 L CA 1.837 56.633 54.840 -0.074 0.000 0.772 371 L CB -0.939 41.093 42.059 -0.046 0.000 0.892 371 L HN 0.423 nan 8.230 nan 0.000 0.435 372 L N -0.664 120.550 121.223 -0.015 0.000 2.089 372 L HA -0.268 4.072 4.340 0.000 0.000 0.213 372 L C 2.468 179.334 176.870 -0.007 0.000 1.079 372 L CA 1.439 56.280 54.840 0.001 0.000 0.758 372 L CB -0.534 41.534 42.059 0.014 0.000 0.891 372 L HN 0.389 nan 8.230 nan 0.000 0.433 373 E N 0.283 120.472 120.200 -0.019 0.000 2.004 373 E HA -0.110 4.240 4.350 0.000 0.000 0.193 373 E C 1.885 178.465 176.600 -0.034 0.000 0.985 373 E CA 0.574 56.963 56.400 -0.020 0.000 0.832 373 E CB 0.045 29.733 29.700 -0.020 0.000 0.787 373 E HN 0.267 nan 8.360 nan 0.000 0.466 374 R N -0.519 119.945 120.500 -0.061 0.000 2.387 374 R HA 0.018 4.359 4.340 0.000 0.000 0.203 374 R C -0.461 175.755 176.300 -0.139 0.000 1.121 374 R CA -0.080 55.967 56.100 -0.089 0.000 1.129 374 R CB -0.568 29.666 30.300 -0.110 0.000 0.905 374 R HN 0.093 nan 8.270 nan 0.000 0.477 375 C N 0.881 120.123 119.300 -0.097 0.000 2.654 375 C HA 0.320 4.780 4.460 0.000 0.000 0.315 375 C C -2.365 172.656 174.990 0.052 0.000 1.054 375 C CA -2.004 56.965 59.018 -0.082 0.000 1.419 375 C CB 1.399 29.054 27.740 -0.142 0.000 1.889 375 C HN 0.169 nan 8.230 nan 0.000 0.447 376 P HA 0.192 nan 4.420 nan 0.000 0.271 376 P C 0.042 177.431 177.300 0.148 0.000 1.218 376 P CA 0.578 63.745 63.100 0.111 0.000 0.780 376 P CB 0.447 32.216 31.700 0.114 0.000 0.901 377 D N -0.526 119.935 120.400 0.102 0.000 2.713 377 D HA -0.205 4.435 4.640 0.000 0.000 0.231 377 D C 0.174 176.552 176.300 0.130 0.000 1.173 377 D CA 0.672 54.728 54.000 0.095 0.000 0.628 377 D CB -1.074 39.771 40.800 0.075 0.000 1.033 377 D HN 0.213 nan 8.370 nan 0.000 0.419 378 L N -0.102 121.209 121.223 0.146 0.000 2.485 378 L HA 0.376 4.716 4.340 0.000 0.000 0.275 378 L C 0.284 177.230 176.870 0.128 0.000 1.207 378 L CA 0.475 55.423 54.840 0.180 0.000 0.855 378 L CB 0.820 42.959 42.059 0.134 0.000 1.114 378 L HN 0.246 nan 8.230 nan 0.000 0.485 379 A N 4.675 127.576 122.820 0.135 0.000 2.601 379 A HA 0.420 4.740 4.320 0.000 0.000 0.291 379 A C -1.320 176.321 177.584 0.095 0.000 1.075 379 A CA -0.763 51.330 52.037 0.093 0.000 0.671 379 A CB 0.499 19.539 19.000 0.066 0.000 1.277 379 A HN 0.825 nan 8.150 nan 0.000 0.417 380 L N 0.543 121.812 121.223 0.076 0.000 2.453 380 L HA 0.161 4.501 4.340 0.000 0.000 0.272 380 L C 0.349 177.255 176.870 0.060 0.000 1.182 380 L CA 0.336 55.225 54.840 0.082 0.000 0.858 380 L CB 0.836 42.948 42.059 0.087 0.000 1.120 380 L HN 0.972 nan 8.230 nan 0.000 0.474 381 D N 2.255 122.687 120.400 0.053 0.000 2.349 381 D HA 0.113 4.753 4.640 0.000 0.000 0.214 381 D C -0.113 176.194 176.300 0.012 0.000 1.063 381 D CA 0.195 54.211 54.000 0.026 0.000 0.847 381 D CB 0.423 41.235 40.800 0.019 0.000 0.933 381 D HN 0.289 nan 8.370 nan 0.000 0.513 382 V N -2.900 117.025 119.914 0.019 0.000 3.182 382 V HA 0.674 4.794 4.120 0.000 0.000 0.308 382 V C -0.283 175.824 176.094 0.021 0.000 1.240 382 V CA -0.855 61.450 62.300 0.007 0.000 1.063 382 V CB 1.368 33.185 31.823 -0.010 0.000 1.076 382 V HN 0.012 nan 8.190 nan 0.000 0.446 383 S N -0.036 115.674 115.700 0.017 0.000 2.562 383 S HA 0.526 4.996 4.470 0.000 0.000 0.275 383 S C -1.848 172.779 174.600 0.045 0.000 1.281 383 S CA -0.946 57.274 58.200 0.032 0.000 1.045 383 S CB 0.975 64.189 63.200 0.023 0.000 0.962 383 S HN 0.699 nan 8.310 nan 0.000 0.503 384 P HA -0.100 nan 4.420 nan 0.000 0.217 384 P C 1.654 179.001 177.300 0.078 0.000 1.151 384 P CA 1.775 64.962 63.100 0.145 0.000 0.849 384 P CB -0.339 31.497 31.700 0.227 0.000 0.787 385 G N -0.590 108.249 108.800 0.065 0.000 2.471 385 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 385 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 385 G C 1.397 176.310 174.900 0.022 0.000 1.125 385 G CA 0.448 45.579 45.100 0.052 0.000 0.775 385 G HN 0.311 nan 8.290 nan 0.000 0.548 386 E N -0.366 119.834 120.200 0.000 0.000 2.158 386 E HA 0.105 4.455 4.350 0.000 0.000 0.191 386 E C 0.847 177.409 176.600 -0.065 0.000 0.982 386 E CA -0.365 56.020 56.400 -0.024 0.000 0.823 386 E CB -0.020 29.667 29.700 -0.022 0.000 0.766 386 E HN 0.339 nan 8.360 nan 0.000 0.468 387 L N 0.970 122.124 121.223 -0.115 0.000 2.492 387 L HA 0.035 4.376 4.340 0.000 0.000 0.280 387 L C 0.099 176.837 176.870 -0.221 0.000 1.240 387 L CA 0.048 54.739 54.840 -0.247 0.000 0.831 387 L CB 0.332 42.111 42.059 -0.466 0.000 1.100 387 L HN -0.038 nan 8.230 nan 0.000 0.505 388 V N 1.426 121.158 119.914 -0.302 0.000 2.569 388 V HA 0.406 4.526 4.120 0.000 0.000 0.301 388 V C -1.168 174.802 176.094 -0.207 0.000 1.044 388 V CA -0.414 61.788 62.300 -0.162 0.000 0.874 388 V CB 1.568 33.336 31.823 -0.092 0.000 1.002 388 V HN 0.620 nan 8.190 nan 0.000 0.424 389 W N 4.228 125.508 121.300 -0.033 0.000 2.332 389 W HA 0.595 5.255 4.660 0.000 0.000 0.351 389 W C -0.551 176.004 176.519 0.061 0.000 1.195 389 W CA -0.565 56.808 57.345 0.046 0.000 1.334 389 W CB 0.363 29.826 29.460 0.006 0.000 1.206 389 W HN 0.486 nan 8.180 nan 0.000 0.637 390 Y N 2.242 122.691 120.300 0.249 0.000 2.436 390 Y HA 0.127 4.678 4.550 0.000 0.000 0.336 390 Y C -1.103 174.862 175.900 0.109 0.000 1.049 390 Y CA -2.010 56.187 58.100 0.161 0.000 1.294 390 Y CB 0.128 38.686 38.460 0.163 0.000 1.179 390 Y HN 0.202 nan 8.280 nan 0.000 0.520 391 P HA -0.235 nan 4.420 nan 0.000 0.217 391 P C 0.169 177.467 177.300 -0.004 0.000 1.148 391 P CA 1.182 64.255 63.100 -0.046 0.000 0.834 391 P CB 0.096 31.615 31.700 -0.302 0.000 0.783 392 N N 0.352 119.099 118.700 0.078 0.000 2.217 392 N HA -0.096 4.644 4.740 0.000 0.000 0.268 392 N C -1.306 174.286 175.510 0.136 0.000 1.290 392 N CA -0.249 52.885 53.050 0.140 0.000 0.831 392 N CB 0.462 39.103 38.487 0.256 0.000 1.057 392 N HN 0.111 nan 8.380 nan 0.000 0.481 393 P HA -0.029 nan 4.420 nan 0.000 0.240 393 P C 1.054 178.435 177.300 0.136 0.000 1.190 393 P CA 0.683 63.891 63.100 0.180 0.000 0.781 393 P CB 0.281 32.126 31.700 0.241 0.000 0.931 394 M N -1.414 118.271 119.600 0.141 0.000 2.371 394 M HA 0.197 4.677 4.480 0.000 0.000 0.246 394 M C -0.020 176.338 176.300 0.096 0.000 1.103 394 M CA 0.265 55.637 55.300 0.120 0.000 1.010 394 M CB 0.459 33.162 32.600 0.171 0.000 1.457 394 M HN -0.269 nan 8.290 nan 0.000 0.486 395 I N -0.225 120.407 120.570 0.104 0.000 3.145 395 I HA 0.445 4.615 4.170 0.000 0.000 0.313 395 I C -0.773 175.401 176.117 0.094 0.000 1.122 395 I CA -0.640 60.719 61.300 0.098 0.000 0.987 395 I CB 2.403 40.472 38.000 0.115 0.000 1.236 395 I HN 0.013 nan 8.210 nan 0.000 0.453 396 R N 1.472 122.043 120.500 0.118 0.000 2.629 396 R HA 0.607 4.947 4.340 0.000 0.000 0.275 396 R C -0.934 175.560 176.300 0.323 0.000 1.719 396 R CA -0.281 55.925 56.100 0.178 0.000 1.472 396 R CB 0.736 31.092 30.300 0.094 0.000 1.237 396 R HN 0.784 nan 8.270 nan 0.000 0.589 397 G N 2.289 111.304 108.800 0.360 0.000 2.563 397 G HA2 0.536 4.496 3.960 0.000 0.000 0.302 397 G HA3 0.536 4.496 3.960 0.000 0.000 0.302 397 G C -1.237 173.782 174.900 0.200 0.000 1.301 397 G CA -0.767 44.460 45.100 0.211 0.000 0.965 397 G HN 0.282 nan 8.290 nan 0.000 0.480 398 L N 1.126 122.284 121.223 -0.109 0.000 2.334 398 L HA 0.384 4.724 4.340 0.000 0.000 0.277 398 L C 1.805 178.679 176.870 0.006 0.000 1.075 398 L CA -0.795 53.854 54.840 -0.318 0.000 0.804 398 L CB 1.903 43.630 42.059 -0.554 0.000 1.174 398 L HN 0.666 nan 8.230 nan 0.000 0.438 399 K N 1.588 122.032 120.400 0.073 0.000 2.097 399 K HA 0.016 4.336 4.320 0.000 0.000 0.206 399 K C 0.336 176.964 176.600 0.048 0.000 1.049 399 K CA 1.216 57.622 56.287 0.199 0.000 0.933 399 K CB 0.232 32.726 32.500 -0.010 0.000 0.717 399 K HN 0.791 nan 8.250 nan 0.000 0.442 400 A N -0.067 122.717 122.820 -0.060 0.000 2.586 400 A HA 0.508 4.828 4.320 0.000 0.000 0.291 400 A C -2.118 175.405 177.584 -0.101 0.000 1.062 400 A CA -0.780 51.223 52.037 -0.056 0.000 0.666 400 A CB 1.272 20.249 19.000 -0.038 0.000 1.281 400 A HN 0.073 nan 8.150 nan 0.000 0.421 401 L N 1.239 122.431 121.223 -0.051 0.000 2.514 401 L HA 0.561 4.902 4.340 0.000 0.000 0.257 401 L C -2.879 174.001 176.870 0.017 0.000 1.101 401 L CA -1.504 53.312 54.840 -0.039 0.000 0.911 401 L CB 1.343 43.390 42.059 -0.020 0.000 1.162 401 L HN 0.350 nan 8.230 nan 0.000 0.477 402 P HA 0.456 nan 4.420 nan 0.000 0.271 402 P C -0.605 176.741 177.300 0.076 0.000 1.218 402 P CA 0.102 63.227 63.100 0.040 0.000 0.780 402 P CB 0.802 32.509 31.700 0.012 0.000 0.901 403 I N -1.281 119.358 120.570 0.115 0.000 3.395 403 I HA 0.797 4.967 4.170 0.000 0.000 0.318 403 I C -1.139 175.075 176.117 0.162 0.000 1.262 403 I CA -1.491 59.907 61.300 0.164 0.000 0.910 403 I CB 2.475 40.616 38.000 0.234 0.000 1.329 403 I HN 0.366 nan 8.210 nan 0.000 0.485 404 R N 0.336 120.964 120.500 0.213 0.000 2.728 404 R HA 0.751 5.091 4.340 0.000 0.000 0.274 404 R C -2.514 173.947 176.300 0.269 0.000 1.030 404 R CA -0.827 55.270 56.100 -0.005 0.000 0.876 404 R CB 1.287 31.505 30.300 -0.136 0.000 1.259 404 R HN 0.961 nan 8.270 nan 0.000 0.468 405 W N -2.581 118.726 121.300 0.011 0.000 3.275 405 W HA 0.655 5.315 4.660 0.000 0.000 0.306 405 W C -0.547 175.978 176.519 0.010 0.000 1.259 405 W CA -0.913 56.439 57.345 0.012 0.000 1.194 405 W CB 0.642 30.110 29.460 0.013 0.000 1.375 405 W HN 0.939 nan 8.180 nan 0.000 0.564 406 R N 1.191 121.796 120.500 0.175 0.000 2.976 406 R HA 0.412 4.752 4.340 0.000 0.000 0.354 406 R C 0.609 176.955 176.300 0.075 0.000 0.794 406 R CA 1.297 57.448 56.100 0.086 0.000 1.085 406 R CB -1.911 28.452 30.300 0.105 0.000 0.896 406 R HN 1.325 nan 8.270 nan 0.000 0.393 407 R N 0.000 120.469 120.500 -0.051 0.000 2.786 407 R HA 0.000 4.340 4.340 0.000 0.000 0.208 407 R CA 0.000 56.068 56.100 -0.054 0.000 0.921 407 R CB 0.000 30.240 30.300 -0.100 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535