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 2wi9_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 0.000 177.289 177.300 -0.018 0.000 1.155 12 P CA 0.000 63.103 63.100 0.005 0.000 0.800 12 P CB 0.000 31.712 31.700 0.021 0.000 0.726 13 P HA 0.382 nan 4.420 nan 0.000 0.281 13 P C -0.083 177.180 177.300 -0.061 0.000 1.274 13 P CA -0.019 63.059 63.100 -0.037 0.000 0.794 13 P CB 0.267 31.950 31.700 -0.029 0.000 1.201 14 V N -0.030 119.838 119.914 -0.076 0.000 2.364 14 V HA 0.306 4.427 4.120 0.000 0.000 0.272 14 V C 0.811 176.855 176.094 -0.083 0.000 1.036 14 V CA -0.582 61.657 62.300 -0.102 0.000 0.880 14 V CB 0.547 32.295 31.823 -0.124 0.000 0.991 14 V HN 0.650 nan 8.190 nan 0.000 0.460 15 L N 3.895 125.072 121.223 -0.077 0.000 2.433 15 L HA 0.420 4.761 4.340 0.000 0.000 0.275 15 L C 0.455 177.256 176.870 -0.115 0.000 1.128 15 L CA -0.010 54.780 54.840 -0.083 0.000 0.875 15 L CB 0.001 42.018 42.059 -0.071 0.000 1.171 15 L HN 0.810 nan 8.230 nan 0.000 0.463 16 D N 2.821 123.150 120.400 -0.118 0.000 2.339 16 D HA 0.396 5.036 4.640 0.000 0.000 0.241 16 D C 1.006 177.182 176.300 -0.206 0.000 1.183 16 D CA -0.153 53.767 54.000 -0.134 0.000 0.859 16 D CB 1.308 42.050 40.800 -0.097 0.000 1.067 16 D HN 0.557 nan 8.370 nan 0.000 0.484 17 L N 2.826 123.887 121.223 -0.271 0.000 2.375 17 L HA 0.187 4.527 4.340 0.000 0.000 0.215 17 L C 2.386 179.053 176.870 -0.339 0.000 1.108 17 L CA 0.345 54.889 54.840 -0.494 0.000 0.830 17 L CB -0.043 41.633 42.059 -0.639 0.000 0.959 17 L HN 0.421 nan 8.230 nan 0.000 0.457 18 G N 0.391 109.089 108.800 -0.169 0.000 2.422 18 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 18 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 18 G C 1.786 176.643 174.900 -0.072 0.000 1.140 18 G CA 0.780 45.831 45.100 -0.081 0.000 0.775 18 G HN 0.420 nan 8.290 nan 0.000 0.545 19 A N 0.378 123.142 122.820 -0.093 0.000 2.015 19 A HA 0.112 4.432 4.320 0.000 0.000 0.219 19 A C 2.270 179.814 177.584 -0.067 0.000 1.163 19 A CA 1.092 53.087 52.037 -0.070 0.000 0.646 19 A CB -0.305 18.652 19.000 -0.071 0.000 0.806 19 A HN 0.283 nan 8.150 nan 0.000 0.448 20 L N -0.305 120.854 121.223 -0.107 0.000 2.081 20 L HA -0.147 4.193 4.340 0.000 0.000 0.212 20 L C 2.542 179.414 176.870 0.003 0.000 1.080 20 L CA 1.978 56.774 54.840 -0.073 0.000 0.754 20 L CB -1.003 40.966 42.059 -0.150 0.000 0.893 20 L HN 0.416 nan 8.230 nan 0.000 0.433 21 G N -3.381 105.434 108.800 0.024 0.000 2.441 21 G HA2 0.243 4.203 3.960 0.000 0.000 0.212 21 G HA3 0.243 4.203 3.960 0.000 0.000 0.212 21 G C 1.096 176.064 174.900 0.112 0.000 1.164 21 G CA 1.301 46.418 45.100 0.028 0.000 0.811 21 G HN 0.483 nan 8.290 nan 0.000 0.535 22 Q N -1.930 117.956 119.800 0.142 0.000 1.596 22 Q HA 0.345 4.685 4.340 0.000 0.000 0.145 22 Q C 1.009 177.049 176.000 0.066 0.000 0.451 22 Q CA 1.079 56.930 55.803 0.080 0.000 0.764 22 Q CB 0.078 28.853 28.738 0.062 0.000 0.814 22 Q HN 0.101 nan 8.270 nan 0.000 0.190 23 D N -2.089 118.342 120.400 0.051 0.000 3.562 23 D HA -0.189 4.451 4.640 0.000 0.000 0.214 23 D C 1.007 177.322 176.300 0.025 0.000 1.107 23 D CA 1.921 55.944 54.000 0.038 0.000 2.251 23 D CB -1.576 39.248 40.800 0.040 0.000 1.226 23 D HN 0.576 nan 8.370 nan 0.000 0.493 24 F N 1.846 121.748 119.950 -0.080 0.000 2.234 24 F HA 0.137 4.664 4.527 0.000 0.000 0.299 24 F C 2.228 177.945 175.800 -0.138 0.000 1.087 24 F CA 2.337 60.257 58.000 -0.134 0.000 1.340 24 F CB -0.204 38.720 39.000 -0.126 0.000 1.031 24 F HN 0.181 nan 8.300 nan 0.000 0.500 25 A N 0.450 123.252 122.820 -0.030 0.000 1.873 25 A HA -0.043 4.277 4.320 0.000 0.000 0.215 25 A C 2.440 179.911 177.584 -0.188 0.000 1.186 25 A CA 1.678 53.674 52.037 -0.068 0.000 0.616 25 A CB -1.521 17.532 19.000 0.088 0.000 0.823 25 A HN 0.459 nan 8.150 nan 0.000 0.442 26 A N -1.010 121.735 122.820 -0.126 0.000 1.877 26 A HA 0.012 4.332 4.320 0.000 0.000 0.216 26 A C 0.968 178.338 177.584 -0.357 0.000 1.186 26 A CA 1.874 53.819 52.037 -0.154 0.000 0.620 26 A CB -0.246 18.751 19.000 -0.004 0.000 0.822 26 A HN 0.497 nan 8.150 nan 0.000 0.443 27 D N -2.568 117.635 120.400 -0.329 0.000 2.381 27 D HA 0.298 4.938 4.640 0.000 0.000 0.245 27 D C -2.285 173.727 176.300 -0.480 0.000 1.297 27 D CA -1.173 52.645 54.000 -0.304 0.000 0.931 27 D CB 1.353 42.086 40.800 -0.111 0.000 1.334 27 D HN 0.013 nan 8.370 nan 0.000 0.535 28 P HA -0.043 nan 4.420 nan 0.000 0.235 28 P C 0.951 177.685 177.300 -0.944 0.000 1.177 28 P CA 0.391 62.677 63.100 -1.357 0.000 0.785 28 P CB 0.157 30.753 31.700 -1.840 0.000 0.885 29 Y N 1.213 121.271 120.300 -0.404 0.000 2.165 29 Y HA -0.103 4.447 4.550 0.000 0.000 0.286 29 Y C -0.140 175.712 175.900 -0.079 0.000 1.155 29 Y CA 1.592 59.610 58.100 -0.137 0.000 1.164 29 Y CB -2.602 35.837 38.460 -0.034 0.000 0.978 29 Y HN 0.145 nan 8.280 nan 0.000 0.513 30 P HA -0.124 nan 4.420 nan 0.000 0.218 30 P C 1.445 178.754 177.300 0.015 0.000 1.149 30 P CA 2.065 65.186 63.100 0.034 0.000 0.817 30 P CB -0.133 31.566 31.700 -0.002 0.000 0.785 31 T N -1.124 113.397 114.554 -0.054 0.000 2.607 31 T HA -0.229 4.122 4.350 0.000 0.000 0.267 31 T C 1.616 176.327 174.700 0.019 0.000 1.049 31 T CA 1.617 63.693 62.100 -0.041 0.000 1.162 31 T CB -1.351 67.511 68.868 -0.010 0.000 0.863 31 T HN 0.205 nan 8.240 nan 0.000 0.424 32 Y N 1.364 121.709 120.300 0.075 0.000 2.128 32 Y HA -0.134 4.416 4.550 0.000 0.000 0.284 32 Y C 2.957 178.876 175.900 0.031 0.000 1.154 32 Y CA 0.449 58.574 58.100 0.041 0.000 1.149 32 Y CB -0.470 38.023 38.460 0.055 0.000 0.976 32 Y HN 0.219 nan 8.280 nan 0.000 0.505 33 A N 0.305 123.257 122.820 0.220 0.000 1.898 33 A HA -0.219 4.101 4.320 0.000 0.000 0.216 33 A C 2.073 179.714 177.584 0.094 0.000 1.181 33 A CA 1.699 53.831 52.037 0.159 0.000 0.620 33 A CB -0.680 18.423 19.000 0.172 0.000 0.819 33 A HN 0.361 nan 8.150 nan 0.000 0.442 34 R N -0.240 120.301 120.500 0.068 0.000 2.097 34 R HA -0.146 4.194 4.340 0.000 0.000 0.236 34 R C 2.011 178.308 176.300 -0.005 0.000 1.135 34 R CA 2.063 58.182 56.100 0.032 0.000 0.934 34 R CB -0.679 29.631 30.300 0.016 0.000 0.846 34 R HN 0.549 nan 8.270 nan 0.000 0.431 35 L N -0.148 121.034 121.223 -0.068 0.000 2.042 35 L HA -0.179 4.162 4.340 0.000 0.000 0.210 35 L C 2.753 179.541 176.870 -0.136 0.000 1.076 35 L CA 1.634 56.303 54.840 -0.285 0.000 0.749 35 L CB -0.564 41.118 42.059 -0.629 0.000 0.893 35 L HN 0.246 nan 8.230 nan 0.000 0.432 36 R N 0.588 121.089 120.500 0.001 0.000 2.127 36 R HA -0.205 4.135 4.340 0.000 0.000 0.238 36 R C 2.297 178.657 176.300 0.100 0.000 1.134 36 R CA 1.333 57.482 56.100 0.082 0.000 0.975 36 R CB -0.229 30.128 30.300 0.096 0.000 0.865 36 R HN 0.384 nan 8.270 nan 0.000 0.447 37 A N 1.061 123.929 122.820 0.080 0.000 1.892 37 A HA -0.236 4.084 4.320 0.000 0.000 0.218 37 A C 1.922 179.563 177.584 0.096 0.000 1.188 37 A CA 1.853 53.938 52.037 0.079 0.000 0.631 37 A CB -0.468 18.571 19.000 0.065 0.000 0.822 37 A HN 0.505 nan 8.150 nan 0.000 0.447 38 E N -1.138 119.137 120.200 0.125 0.000 2.007 38 E HA 0.266 4.616 4.350 0.000 0.000 0.194 38 E C 1.149 177.858 176.600 0.181 0.000 0.999 38 E CA 1.008 57.508 56.400 0.166 0.000 0.811 38 E CB -0.129 29.724 29.700 0.255 0.000 0.762 38 E HN 0.644 nan 8.360 nan 0.000 0.450 39 G N -1.822 107.156 108.800 0.296 0.000 2.488 39 G HA2 0.140 4.100 3.960 0.000 0.000 0.301 39 G HA3 0.140 4.100 3.960 0.000 0.000 0.301 39 G C -2.505 172.575 174.900 0.301 0.000 1.339 39 G CA -0.631 44.598 45.100 0.214 0.000 0.803 39 G HN -0.161 nan 8.290 nan 0.000 0.482 40 P HA 0.219 nan 4.420 nan 0.000 0.225 40 P C 0.500 177.922 177.300 0.203 0.000 1.156 40 P CA 1.307 64.494 63.100 0.145 0.000 0.787 40 P CB 0.607 32.341 31.700 0.058 0.000 0.802 41 A N 0.156 123.050 122.820 0.123 0.000 2.374 41 A HA 0.663 4.983 4.320 0.000 0.000 0.305 41 A C -0.985 176.611 177.584 0.020 0.000 1.053 41 A CA -0.486 51.648 52.037 0.160 0.000 0.726 41 A CB 1.026 20.063 19.000 0.061 0.000 1.229 41 A HN 0.080 nan 8.150 nan 0.000 0.431 42 H N 1.949 121.246 119.070 0.379 0.000 2.966 42 H HA 0.264 4.820 4.556 0.000 0.000 0.347 42 H C -0.658 174.648 175.328 -0.036 0.000 1.048 42 H CA -0.715 55.443 56.048 0.182 0.000 1.295 42 H CB 1.655 31.477 29.762 0.100 0.000 1.744 42 H HN 0.696 nan 8.280 nan 0.000 0.513 43 R N 1.941 122.251 120.500 -0.316 0.000 2.389 43 R HA 0.331 4.671 4.340 0.000 0.000 0.295 43 R C 0.163 176.313 176.300 -0.249 0.000 1.075 43 R CA -0.275 55.475 56.100 -0.584 0.000 1.005 43 R CB 1.129 30.970 30.300 -0.765 0.000 0.987 43 R HN 0.426 nan 8.270 nan 0.000 0.452 44 V N -0.076 119.708 119.914 -0.217 0.000 3.182 44 V HA 0.644 4.765 4.120 0.000 0.000 0.308 44 V C -0.908 175.108 176.094 -0.129 0.000 1.240 44 V CA -1.241 60.981 62.300 -0.129 0.000 1.063 44 V CB 2.403 34.188 31.823 -0.064 0.000 1.076 44 V HN 0.816 nan 8.190 nan 0.000 0.446 45 R N 1.358 121.795 120.500 -0.106 0.000 2.476 45 R HA 0.604 4.945 4.340 0.000 0.000 0.305 45 R C 0.007 176.264 176.300 -0.072 0.000 0.965 45 R CA 0.278 56.330 56.100 -0.081 0.000 0.867 45 R CB 1.851 32.106 30.300 -0.076 0.000 1.176 45 R HN 1.192 nan 8.270 nan 0.000 0.447 46 T N 1.669 116.204 114.554 -0.031 0.000 2.748 46 T HA 0.176 4.527 4.350 0.000 0.000 0.304 46 T C -1.726 172.964 174.700 -0.016 0.000 1.041 46 T CA -1.208 60.888 62.100 -0.008 0.000 1.033 46 T CB 0.700 69.602 68.868 0.056 0.000 0.995 46 T HN 0.374 nan 8.240 nan 0.000 0.536 47 P HA -0.044 nan 4.420 nan 0.000 0.216 47 P C 1.898 179.223 177.300 0.042 0.000 1.153 47 P CA 2.110 65.225 63.100 0.026 0.000 0.858 47 P CB -0.441 31.309 31.700 0.084 0.000 0.789 48 E N -0.766 119.471 120.200 0.061 0.000 2.160 48 E HA -0.025 4.325 4.350 0.000 0.000 0.195 48 E C 1.552 178.176 176.600 0.040 0.000 0.991 48 E CA 1.525 57.960 56.400 0.058 0.000 0.810 48 E CB -1.665 28.079 29.700 0.074 0.000 0.742 48 E HN 0.357 nan 8.360 nan 0.000 0.466 49 G N 0.173 108.989 108.800 0.027 0.000 2.145 49 G HA2 -0.154 3.807 3.960 0.000 0.000 0.176 49 G HA3 -0.154 3.807 3.960 0.000 0.000 0.176 49 G C -0.172 174.735 174.900 0.013 0.000 1.013 49 G CA 0.008 45.114 45.100 0.011 0.000 0.689 49 G HN 0.502 nan 8.290 nan 0.000 0.506 50 N N 0.526 119.240 118.700 0.023 0.000 2.405 50 N HA 0.580 5.321 4.740 0.000 0.000 0.299 50 N C 0.003 175.500 175.510 -0.022 0.000 1.075 50 N CA 0.213 53.276 53.050 0.021 0.000 0.884 50 N CB 1.333 39.861 38.487 0.068 0.000 1.194 50 N HN 0.612 nan 8.380 nan 0.000 0.491 51 E N 0.676 120.851 120.200 -0.042 0.000 2.003 51 E HA 0.438 4.788 4.350 0.000 0.000 0.279 51 E C 0.237 176.762 176.600 -0.125 0.000 1.132 51 E CA -0.798 55.541 56.400 -0.102 0.000 0.888 51 E CB -0.077 29.560 29.700 -0.105 0.000 1.056 51 E HN 0.501 nan 8.360 nan 0.000 0.399 52 V N -1.553 118.266 119.914 -0.159 0.000 3.126 52 V HA 0.883 5.003 4.120 0.000 0.000 0.314 52 V C -0.827 175.154 176.094 -0.189 0.000 1.138 52 V CA -1.647 60.575 62.300 -0.129 0.000 1.034 52 V CB 1.442 33.192 31.823 -0.121 0.000 1.075 52 V HN 0.692 nan 8.190 nan 0.000 0.442 53 W N 1.233 122.500 121.300 -0.055 0.000 2.438 53 W HA 0.766 5.426 4.660 0.000 0.000 0.324 53 W C -0.289 176.216 176.519 -0.023 0.000 1.119 53 W CA -0.491 56.844 57.345 -0.017 0.000 1.221 53 W CB 1.214 30.670 29.460 -0.006 0.000 1.253 53 W HN 0.493 nan 8.180 nan 0.000 0.555 54 L N 3.259 124.640 121.223 0.263 0.000 2.322 54 L HA 0.606 4.946 4.340 0.000 0.000 0.279 54 L C -0.425 176.549 176.870 0.173 0.000 1.036 54 L CA -1.266 53.666 54.840 0.153 0.000 0.807 54 L CB 1.224 43.359 42.059 0.127 0.000 1.226 54 L HN 0.039 nan 8.230 nan 0.000 0.433 55 V N 3.688 123.631 119.914 0.048 0.000 2.417 55 V HA 0.461 4.581 4.120 0.000 0.000 0.291 55 V C -0.044 176.035 176.094 -0.024 0.000 1.024 55 V CA -0.581 61.729 62.300 0.017 0.000 0.861 55 V CB 2.085 33.854 31.823 -0.090 0.000 0.985 55 V HN 0.544 nan 8.190 nan 0.000 0.436 56 V N 1.648 121.582 119.914 0.033 0.000 2.960 56 V HA 1.107 5.228 4.120 0.000 0.000 0.315 56 V C 0.151 176.263 176.094 0.030 0.000 1.087 56 V CA -0.350 61.957 62.300 0.011 0.000 0.982 56 V CB 1.223 33.073 31.823 0.044 0.000 1.039 56 V HN 1.733 nan 8.190 nan 0.000 0.437 57 G N 0.617 109.442 108.800 0.041 0.000 2.895 57 G HA2 -0.214 3.746 3.960 0.000 0.000 0.686 57 G HA3 -0.214 3.746 3.960 0.000 0.000 0.686 57 G C -0.595 174.351 174.900 0.076 0.000 1.108 57 G CA 0.291 45.441 45.100 0.084 0.000 0.761 57 G HN 1.825 nan 8.290 nan 0.000 0.611 58 Y N 1.496 121.815 120.300 0.032 0.000 2.070 58 Y HA -0.180 4.370 4.550 0.000 0.000 0.280 58 Y C 2.539 178.438 175.900 -0.002 0.000 1.148 58 Y CA 2.771 60.892 58.100 0.035 0.000 1.125 58 Y CB -0.027 38.475 38.460 0.070 0.000 0.975 58 Y HN 0.642 nan 8.280 nan 0.000 0.492 59 D N -0.318 120.182 120.400 0.167 0.000 2.133 59 D HA -0.196 4.444 4.640 0.000 0.000 0.195 59 D C 2.255 178.507 176.300 -0.081 0.000 0.997 59 D CA 1.578 55.613 54.000 0.059 0.000 0.840 59 D CB -0.307 40.556 40.800 0.105 0.000 0.947 59 D HN 0.197 nan 8.370 nan 0.000 0.452 60 R N 0.765 121.229 120.500 -0.061 0.000 2.073 60 R HA 0.083 4.423 4.340 0.000 0.000 0.229 60 R C 1.978 178.181 176.300 -0.161 0.000 1.120 60 R CA 1.457 57.506 56.100 -0.086 0.000 0.967 60 R CB -0.710 29.563 30.300 -0.045 0.000 0.862 60 R HN 0.078 nan 8.270 nan 0.000 0.436 61 A N 0.647 123.354 122.820 -0.188 0.000 1.883 61 A HA -0.205 4.115 4.320 0.000 0.000 0.217 61 A C 2.240 179.667 177.584 -0.261 0.000 1.186 61 A CA 1.752 53.649 52.037 -0.233 0.000 0.624 61 A CB -0.647 18.210 19.000 -0.237 0.000 0.822 61 A HN 0.399 nan 8.150 nan 0.000 0.444 62 R N -0.444 119.834 120.500 -0.370 0.000 2.083 62 R HA -0.142 4.198 4.340 0.000 0.000 0.237 62 R C 2.313 178.561 176.300 -0.087 0.000 1.137 62 R CA 1.641 57.553 56.100 -0.312 0.000 0.951 62 R CB -0.442 29.531 30.300 -0.545 0.000 0.851 62 R HN 0.454 nan 8.270 nan 0.000 0.434 63 A N 0.171 122.925 122.820 -0.110 0.000 1.858 63 A HA -0.108 4.212 4.320 0.000 0.000 0.216 63 A C 2.287 179.812 177.584 -0.099 0.000 1.190 63 A CA 1.652 53.657 52.037 -0.052 0.000 0.617 63 A CB -0.692 18.274 19.000 -0.056 0.000 0.827 63 A HN 0.234 nan 8.150 nan 0.000 0.443 64 V N 0.300 120.076 119.914 -0.230 0.000 2.392 64 V HA -0.277 3.843 4.120 0.000 0.000 0.249 64 V C 2.561 178.452 176.094 -0.337 0.000 1.059 64 V CA 1.926 63.939 62.300 -0.477 0.000 1.051 64 V CB -0.803 30.581 31.823 -0.732 0.000 0.658 64 V HN 0.558 nan 8.190 nan 0.000 0.455 65 L N 0.012 121.126 121.223 -0.182 0.000 2.042 65 L HA -0.161 4.179 4.340 0.000 0.000 0.210 65 L C 2.274 179.115 176.870 -0.048 0.000 1.076 65 L CA 1.798 56.587 54.840 -0.085 0.000 0.749 65 L CB -0.518 41.550 42.059 0.015 0.000 0.893 65 L HN 0.394 nan 8.230 nan 0.000 0.432 66 A N -1.976 120.826 122.820 -0.031 0.000 2.387 66 A HA 0.012 4.332 4.320 0.000 0.000 0.234 66 A C 0.363 177.933 177.584 -0.023 0.000 1.253 66 A CA -0.245 51.743 52.037 -0.081 0.000 0.894 66 A CB -0.194 18.683 19.000 -0.206 0.000 0.963 66 A HN 0.190 nan 8.150 nan 0.000 0.508 67 D N 1.240 121.647 120.400 0.011 0.000 2.325 67 D HA 0.182 4.823 4.640 0.000 0.000 0.251 67 D C -1.706 174.672 176.300 0.131 0.000 1.196 67 D CA -1.801 52.252 54.000 0.089 0.000 0.866 67 D CB 1.414 42.320 40.800 0.177 0.000 1.101 67 D HN 0.110 nan 8.370 nan 0.000 0.476 68 P HA 0.001 nan 4.420 nan 0.000 0.242 68 P C 0.783 178.111 177.300 0.047 0.000 1.197 68 P CA 0.226 63.360 63.100 0.055 0.000 0.765 68 P CB 0.286 31.998 31.700 0.020 0.000 0.936 69 R N -1.065 119.470 120.500 0.058 0.000 2.235 69 R HA 0.055 4.395 4.340 0.000 0.000 0.213 69 R C 0.253 176.425 176.300 -0.212 0.000 1.059 69 R CA 0.560 56.613 56.100 -0.078 0.000 0.997 69 R CB -0.327 29.887 30.300 -0.142 0.000 0.884 69 R HN 0.204 nan 8.270 nan 0.000 0.462 70 F N 0.565 120.476 119.950 -0.065 0.000 2.334 70 F HA 0.230 4.757 4.527 0.000 0.000 0.367 70 F C 0.551 176.300 175.800 -0.084 0.000 1.115 70 F CA -0.574 57.371 58.000 -0.092 0.000 1.116 70 F CB 1.445 40.371 39.000 -0.123 0.000 1.230 70 F HN -0.198 nan 8.300 nan 0.000 0.484 71 S N 2.398 118.122 115.700 0.041 0.000 2.617 71 S HA 0.334 4.804 4.470 0.000 0.000 0.269 71 S C 0.934 175.521 174.600 -0.022 0.000 1.292 71 S CA -0.502 57.728 58.200 0.050 0.000 1.010 71 S CB 0.881 64.135 63.200 0.091 0.000 0.944 71 S HN 0.725 nan 8.310 nan 0.000 0.536 72 K N 0.822 121.216 120.400 -0.010 0.000 2.374 72 K HA 0.151 4.471 4.320 0.000 0.000 0.202 72 K C -0.404 176.246 176.600 0.084 0.000 1.040 72 K CA -0.203 56.021 56.287 -0.105 0.000 1.085 72 K CB 0.295 32.654 32.500 -0.235 0.000 0.873 72 K HN 0.561 nan 8.250 nan 0.000 0.539 73 D N -0.199 120.300 120.400 0.165 0.000 2.317 73 D HA -0.017 4.623 4.640 0.000 0.000 0.252 73 D C 0.280 176.679 176.300 0.166 0.000 1.174 73 D CA -0.265 53.847 54.000 0.187 0.000 0.866 73 D CB 0.534 41.416 40.800 0.135 0.000 1.127 73 D HN 0.046 nan 8.370 nan 0.000 0.467 74 W N 3.328 124.686 121.300 0.098 0.000 2.538 74 W HA -0.030 4.630 4.660 0.000 0.000 0.254 74 W C 2.220 178.620 176.519 -0.198 0.000 1.249 74 W CA -0.001 57.275 57.345 -0.115 0.000 1.253 74 W CB -0.052 29.371 29.460 -0.061 0.000 1.130 74 W HN 0.408 nan 8.180 nan 0.000 0.618 75 R N -0.004 120.544 120.500 0.080 0.000 2.193 75 R HA -0.122 4.218 4.340 0.000 0.000 0.229 75 R C 1.226 177.498 176.300 -0.046 0.000 1.110 75 R CA 1.040 57.153 56.100 0.021 0.000 0.988 75 R CB -0.355 29.966 30.300 0.036 0.000 0.871 75 R HN 0.179 nan 8.270 nan 0.000 0.458 76 N N -0.127 118.515 118.700 -0.097 0.000 2.280 76 N HA -0.012 4.728 4.740 0.000 0.000 0.192 76 N C -0.058 175.289 175.510 -0.271 0.000 1.109 76 N CA 0.249 53.233 53.050 -0.111 0.000 0.855 76 N CB 0.768 39.258 38.487 0.005 0.000 0.974 76 N HN -0.036 nan 8.380 nan 0.000 0.482 77 S N -0.232 115.126 115.700 -0.570 0.000 2.565 77 S HA 0.261 4.731 4.470 0.000 0.000 0.290 77 S C 1.244 175.659 174.600 -0.308 0.000 1.150 77 S CA -0.565 57.137 58.200 -0.830 0.000 1.058 77 S CB 1.022 63.153 63.200 -1.782 0.000 1.032 77 S HN 0.306 nan 8.310 nan 0.000 0.510 78 T N 0.690 115.138 114.554 -0.177 0.000 3.129 78 T HA 0.161 4.511 4.350 0.000 0.000 0.251 78 T C 0.550 175.250 174.700 0.001 0.000 1.117 78 T CA -0.016 62.052 62.100 -0.054 0.000 1.034 78 T CB -0.415 68.443 68.868 -0.017 0.000 0.968 78 T HN 0.506 nan 8.240 nan 0.000 0.526 79 T N 5.224 119.796 114.554 0.031 0.000 2.780 79 T HA 0.420 4.770 4.350 0.000 0.000 0.294 79 T C -2.412 172.391 174.700 0.171 0.000 0.949 79 T CA -1.101 61.091 62.100 0.153 0.000 1.074 79 T CB 1.094 70.162 68.868 0.334 0.000 0.910 79 T HN 0.233 nan 8.240 nan 0.000 0.501 80 P HA 0.296 nan 4.420 nan 0.000 0.271 80 P C -0.781 176.513 177.300 -0.010 0.000 1.218 80 P CA -0.401 62.724 63.100 0.042 0.000 0.780 80 P CB 0.652 32.365 31.700 0.022 0.000 0.901 81 L N 1.730 122.899 121.223 -0.089 0.000 2.325 81 L HA 0.389 4.729 4.340 0.000 0.000 0.278 81 L C 1.379 178.173 176.870 -0.126 0.000 1.023 81 L CA -0.730 53.993 54.840 -0.195 0.000 0.811 81 L CB 1.482 43.345 42.059 -0.327 0.000 1.249 81 L HN 0.434 nan 8.230 nan 0.000 0.431 82 T N -2.581 111.897 114.554 -0.127 0.000 2.802 82 T HA 0.014 4.365 4.350 0.000 0.000 0.305 82 T C 0.923 175.565 174.700 -0.097 0.000 1.053 82 T CA -0.339 61.707 62.100 -0.090 0.000 1.058 82 T CB 1.073 69.895 68.868 -0.077 0.000 0.988 82 T HN 0.790 nan 8.240 nan 0.000 0.539 83 E N 0.557 120.716 120.200 -0.070 0.000 2.110 83 E HA -0.140 4.211 4.350 0.000 0.000 0.193 83 E C 2.283 178.837 176.600 -0.077 0.000 0.988 83 E CA 1.055 57.417 56.400 -0.064 0.000 0.804 83 E CB -0.551 29.121 29.700 -0.047 0.000 0.745 83 E HN 0.814 nan 8.360 nan 0.000 0.458 84 A N 0.915 123.686 122.820 -0.081 0.000 1.930 84 A HA -0.195 4.125 4.320 0.000 0.000 0.217 84 A C 1.884 179.403 177.584 -0.108 0.000 1.175 84 A CA 1.539 53.522 52.037 -0.090 0.000 0.627 84 A CB -0.409 18.545 19.000 -0.077 0.000 0.815 84 A HN 0.300 nan 8.150 nan 0.000 0.443 85 E N -0.140 119.983 120.200 -0.128 0.000 2.051 85 E HA -0.075 4.275 4.350 0.000 0.000 0.192 85 E C 2.288 178.766 176.600 -0.203 0.000 0.991 85 E CA 1.038 57.331 56.400 -0.178 0.000 0.799 85 E CB -0.297 29.244 29.700 -0.267 0.000 0.748 85 E HN 0.602 nan 8.360 nan 0.000 0.449 86 A N 1.355 124.066 122.820 -0.181 0.000 1.933 86 A HA -0.108 4.212 4.320 0.000 0.000 0.218 86 A C 2.382 179.945 177.584 -0.034 0.000 1.175 86 A CA 1.541 53.498 52.037 -0.134 0.000 0.628 86 A CB -0.678 18.267 19.000 -0.092 0.000 0.814 86 A HN 0.292 nan 8.150 nan 0.000 0.444 87 A N -0.650 122.140 122.820 -0.049 0.000 2.024 87 A HA -0.015 4.305 4.320 0.000 0.000 0.220 87 A C 1.909 179.474 177.584 -0.032 0.000 1.164 87 A CA 1.547 53.563 52.037 -0.035 0.000 0.643 87 A CB -0.412 18.538 19.000 -0.083 0.000 0.806 87 A HN 0.491 nan 8.150 nan 0.000 0.451 88 L N -0.384 120.784 121.223 -0.093 0.000 2.693 88 L HA 0.061 4.401 4.340 0.000 0.000 0.235 88 L C 1.555 178.414 176.870 -0.017 0.000 1.127 88 L CA 0.446 55.183 54.840 -0.171 0.000 0.914 88 L CB -0.086 41.680 42.059 -0.488 0.000 1.193 88 L HN 0.536 nan 8.230 nan 0.000 0.502 89 N N -1.488 117.216 118.700 0.007 0.000 2.336 89 N HA -0.114 4.626 4.740 0.000 0.000 0.189 89 N C 0.379 175.884 175.510 -0.008 0.000 1.113 89 N CA 0.122 53.172 53.050 -0.000 0.000 0.858 89 N CB -0.436 37.970 38.487 -0.134 0.000 0.970 89 N HN 0.251 nan 8.380 nan 0.000 0.471 90 H N 0.554 119.663 119.070 0.065 0.000 2.970 90 H HA 0.254 4.810 4.556 0.000 0.000 0.226 90 H C -0.399 174.988 175.328 0.099 0.000 1.909 90 H CA -0.410 55.687 56.048 0.082 0.000 1.388 90 H CB -0.918 28.874 29.762 0.050 0.000 1.773 90 H HN 0.536 nan 8.280 nan 0.000 0.559 91 N N -0.708 118.098 118.700 0.178 0.000 2.455 91 N HA 0.130 4.871 4.740 0.000 0.000 0.278 91 N C 1.024 176.639 175.510 0.175 0.000 1.291 91 N CA -1.078 52.072 53.050 0.167 0.000 0.780 91 N CB 1.055 39.647 38.487 0.174 0.000 1.520 91 N HN 0.175 nan 8.380 nan 0.000 0.486 92 M N -1.063 118.631 119.600 0.157 0.000 2.279 92 M HA 0.037 4.517 4.480 0.000 0.000 0.264 92 M C 0.823 177.360 176.300 0.396 0.000 1.062 92 M CA 1.325 56.757 55.300 0.220 0.000 1.099 92 M CB -0.311 32.334 32.600 0.075 0.000 1.394 92 M HN 0.483 nan 8.290 nan 0.000 0.426 93 L N 1.465 122.847 121.223 0.266 0.000 2.217 93 L HA 0.071 4.411 4.340 0.000 0.000 0.211 93 L C 0.870 177.789 176.870 0.082 0.000 1.107 93 L CA 1.650 56.604 54.840 0.190 0.000 0.783 93 L CB -0.386 41.732 42.059 0.098 0.000 0.919 93 L HN 0.380 nan 8.230 nan 0.000 0.442 94 E N -0.333 119.974 120.200 0.179 0.000 2.598 94 E HA 0.262 4.612 4.350 0.000 0.000 0.233 94 E C -0.377 176.354 176.600 0.218 0.000 1.173 94 E CA -0.058 56.470 56.400 0.213 0.000 1.473 94 E CB 0.118 30.029 29.700 0.352 0.000 1.398 94 E HN 0.406 nan 8.360 nan 0.000 0.431 95 S N -0.515 115.321 115.700 0.226 0.000 2.547 95 S HA 0.431 4.901 4.470 0.000 0.000 0.270 95 S C -1.185 173.591 174.600 0.293 0.000 1.150 95 S CA -1.132 57.212 58.200 0.239 0.000 0.850 95 S CB 2.246 65.593 63.200 0.245 0.000 1.118 95 S HN -0.094 nan 8.310 nan 0.000 0.461 96 D N 1.191 121.719 120.400 0.213 0.000 2.384 96 D HA 0.634 5.274 4.640 0.000 0.000 0.250 96 D C -2.795 173.607 176.300 0.170 0.000 1.029 96 D CA -1.628 52.474 54.000 0.170 0.000 0.990 96 D CB 0.949 41.816 40.800 0.112 0.000 1.175 96 D HN 0.289 nan 8.370 nan 0.000 0.532 97 P HA 0.101 nan 4.420 nan 0.000 0.268 97 P C -1.660 175.689 177.300 0.082 0.000 1.205 97 P CA -0.646 62.520 63.100 0.110 0.000 0.771 97 P CB 0.258 31.997 31.700 0.067 0.000 0.858 98 P HA 0.086 nan 4.420 nan 0.000 0.245 98 P C 1.350 178.698 177.300 0.080 0.000 1.203 98 P CA 0.520 63.662 63.100 0.070 0.000 0.792 98 P CB 0.367 32.096 31.700 0.048 0.000 0.997 99 R N 0.221 120.778 120.500 0.096 0.000 2.105 99 R HA -0.200 4.140 4.340 0.000 0.000 0.239 99 R C 2.586 178.945 176.300 0.098 0.000 1.135 99 R CA 1.359 57.516 56.100 0.096 0.000 0.967 99 R CB -0.875 29.494 30.300 0.114 0.000 0.861 99 R HN 0.220 nan 8.270 nan 0.000 0.442 100 H N -0.148 118.959 119.070 0.061 0.000 2.353 100 H HA -0.073 4.483 4.556 0.000 0.000 0.300 100 H C 1.219 176.556 175.328 0.015 0.000 1.090 100 H CA 2.046 58.125 56.048 0.051 0.000 1.327 100 H CB -0.021 29.756 29.762 0.024 0.000 1.383 100 H HN 0.251 nan 8.280 nan 0.000 0.508 101 T N 1.066 115.619 114.554 -0.002 0.000 2.684 101 T HA -0.167 4.183 4.350 0.000 0.000 0.267 101 T C 2.160 176.809 174.700 -0.086 0.000 1.036 101 T CA 1.657 63.731 62.100 -0.044 0.000 1.148 101 T CB -0.201 68.692 68.868 0.041 0.000 0.863 101 T HN 0.375 nan 8.240 nan 0.000 0.436 102 R N 0.736 121.213 120.500 -0.038 0.000 2.075 102 R HA 0.054 4.394 4.340 0.000 0.000 0.232 102 R C 2.390 178.666 176.300 -0.040 0.000 1.126 102 R CA 0.977 57.064 56.100 -0.022 0.000 0.963 102 R CB -0.401 29.904 30.300 0.008 0.000 0.858 102 R HN 0.354 nan 8.270 nan 0.000 0.435 103 L N 0.188 121.376 121.223 -0.059 0.000 2.027 103 L HA -0.104 4.236 4.340 0.000 0.000 0.206 103 L C 2.883 179.705 176.870 -0.081 0.000 1.074 103 L CA 1.531 56.343 54.840 -0.047 0.000 0.745 103 L CB -0.446 41.603 42.059 -0.017 0.000 0.898 103 L HN 0.232 nan 8.230 nan 0.000 0.433 104 R N 0.659 121.040 120.500 -0.198 0.000 2.115 104 R HA -0.151 4.189 4.340 0.000 0.000 0.230 104 R C 2.226 178.488 176.300 -0.064 0.000 1.111 104 R CA 1.217 57.217 56.100 -0.166 0.000 0.976 104 R CB 0.017 30.123 30.300 -0.323 0.000 0.870 104 R HN 0.225 nan 8.270 nan 0.000 0.445 105 K N -0.032 120.332 120.400 -0.061 0.000 2.209 105 K HA -0.111 4.209 4.320 0.000 0.000 0.204 105 K C 1.668 178.270 176.600 0.004 0.000 1.048 105 K CA 0.749 57.025 56.287 -0.019 0.000 0.940 105 K CB -0.017 32.472 32.500 -0.018 0.000 0.729 105 K HN 0.117 nan 8.250 nan 0.000 0.451 106 L N 0.096 121.321 121.223 0.004 0.000 2.265 106 L HA -0.118 4.222 4.340 0.000 0.000 0.215 106 L C 1.865 178.760 176.870 0.042 0.000 1.117 106 L CA 1.546 56.397 54.840 0.019 0.000 0.782 106 L CB -0.330 41.741 42.059 0.020 0.000 0.914 106 L HN 0.099 nan 8.230 nan 0.000 0.441 107 V N -6.326 113.632 119.914 0.073 0.000 3.382 107 V HA 0.452 4.572 4.120 0.000 0.000 0.296 107 V C 1.967 178.190 176.094 0.214 0.000 1.529 107 V CA 0.348 62.736 62.300 0.147 0.000 1.048 107 V CB -0.382 31.595 31.823 0.256 0.000 0.878 107 V HN 0.051 nan 8.190 nan 0.000 0.442 108 A N 1.772 124.672 122.820 0.134 0.000 1.940 108 A HA -0.173 4.147 4.320 0.000 0.000 0.219 108 A C 2.304 179.958 177.584 0.117 0.000 1.176 108 A CA 2.276 54.397 52.037 0.140 0.000 0.631 108 A CB -0.539 18.503 19.000 0.070 0.000 0.814 108 A HN 0.576 nan 8.150 nan 0.000 0.446 109 R N -0.337 120.194 120.500 0.053 0.000 2.152 109 R HA -0.080 4.261 4.340 0.000 0.000 0.232 109 R C 1.505 177.776 176.300 -0.048 0.000 1.117 109 R CA 1.159 57.264 56.100 0.007 0.000 0.981 109 R CB -0.149 30.144 30.300 -0.011 0.000 0.870 109 R HN 0.508 nan 8.270 nan 0.000 0.451 110 E N -0.457 119.676 120.200 -0.111 0.000 2.427 110 E HA -0.086 4.264 4.350 0.000 0.000 0.196 110 E C 0.686 176.953 176.600 -0.556 0.000 1.028 110 E CA 0.932 57.094 56.400 -0.397 0.000 0.864 110 E CB 0.198 29.502 29.700 -0.660 0.000 0.813 110 E HN 0.385 nan 8.360 nan 0.000 0.514 111 F N 0.287 120.231 119.950 -0.010 0.000 2.798 111 F HA 0.047 4.574 4.527 0.000 0.000 0.328 111 F C 0.976 176.769 175.800 -0.012 0.000 1.098 111 F CA -0.432 57.559 58.000 -0.014 0.000 1.172 111 F CB 0.510 39.499 39.000 -0.018 0.000 1.072 111 F HN -0.221 nan 8.300 nan 0.000 0.555 112 T N -1.756 112.863 114.554 0.108 0.000 2.855 112 T HA -0.054 4.296 4.350 0.000 0.000 0.314 112 T C 1.476 176.208 174.700 0.053 0.000 1.077 112 T CA -0.416 61.727 62.100 0.072 0.000 1.095 112 T CB 1.052 69.943 68.868 0.038 0.000 0.987 112 T HN 0.287 nan 8.240 nan 0.000 0.546 113 M N 1.014 120.641 119.600 0.045 0.000 2.082 113 M HA -0.182 4.298 4.480 0.000 0.000 0.258 113 M C 2.668 178.982 176.300 0.023 0.000 1.069 113 M CA 2.246 57.567 55.300 0.035 0.000 1.102 113 M CB -0.289 32.330 32.600 0.032 0.000 1.336 113 M HN 0.879 nan 8.290 nan 0.000 0.404 114 R N -0.454 120.055 120.500 0.015 0.000 2.092 114 R HA -0.190 4.150 4.340 0.000 0.000 0.231 114 R C 2.087 178.384 176.300 -0.005 0.000 1.119 114 R CA 1.761 57.864 56.100 0.006 0.000 0.970 114 R CB -0.536 29.766 30.300 0.004 0.000 0.864 114 R HN 0.206 nan 8.270 nan 0.000 0.440 115 R N 0.926 121.417 120.500 -0.014 0.000 2.092 115 R HA 0.005 4.346 4.340 0.000 0.000 0.231 115 R C 2.088 178.365 176.300 -0.039 0.000 1.119 115 R CA 1.456 57.532 56.100 -0.040 0.000 0.970 115 R CB -0.584 29.674 30.300 -0.070 0.000 0.864 115 R HN 0.173 nan 8.270 nan 0.000 0.440 116 V N 0.782 120.686 119.914 -0.016 0.000 2.407 116 V HA -0.181 3.940 4.120 0.000 0.000 0.248 116 V C 2.143 178.241 176.094 0.007 0.000 1.055 116 V CA 2.032 64.333 62.300 0.003 0.000 1.049 116 V CB -0.498 31.351 31.823 0.044 0.000 0.662 116 V HN 0.356 nan 8.190 nan 0.000 0.455 117 E N 0.592 120.797 120.200 0.008 0.000 2.085 117 E HA -0.203 4.147 4.350 0.000 0.000 0.194 117 E C 1.958 178.560 176.600 0.003 0.000 0.994 117 E CA 1.377 57.783 56.400 0.010 0.000 0.801 117 E CB -0.497 29.209 29.700 0.010 0.000 0.743 117 E HN 0.597 nan 8.360 nan 0.000 0.453 118 L N -0.041 121.178 121.223 -0.006 0.000 2.351 118 L HA -0.173 4.167 4.340 0.000 0.000 0.220 118 L C 1.991 178.856 176.870 -0.009 0.000 1.127 118 L CA 0.666 55.500 54.840 -0.010 0.000 0.786 118 L CB -0.402 41.646 42.059 -0.019 0.000 0.914 118 L HN 0.195 nan 8.230 nan 0.000 0.443 119 L N -0.840 120.379 121.223 -0.007 0.000 2.558 119 L HA -0.013 4.327 4.340 0.000 0.000 0.225 119 L C 2.610 179.484 176.870 0.007 0.000 1.128 119 L CA 0.113 54.951 54.840 -0.003 0.000 0.868 119 L CB -0.423 41.636 42.059 0.000 0.000 1.006 119 L HN 0.244 nan 8.230 nan 0.000 0.454 120 R N 1.449 121.954 120.500 0.009 0.000 2.094 120 R HA -0.184 4.156 4.340 0.000 0.000 0.239 120 R C -0.468 175.839 176.300 0.011 0.000 1.137 120 R CA 1.876 57.984 56.100 0.013 0.000 0.943 120 R CB -1.209 29.100 30.300 0.014 0.000 0.850 120 R HN 0.174 nan 8.270 nan 0.000 0.433 121 P HA -0.183 nan 4.420 nan 0.000 0.215 121 P C 0.861 178.164 177.300 0.006 0.000 1.157 121 P CA 1.594 64.697 63.100 0.005 0.000 0.874 121 P CB -0.139 31.562 31.700 0.003 0.000 0.790 122 R N -0.201 120.303 120.500 0.006 0.000 2.092 122 R HA -0.074 4.266 4.340 0.000 0.000 0.231 122 R C 1.848 178.155 176.300 0.012 0.000 1.119 122 R CA 1.485 57.589 56.100 0.007 0.000 0.970 122 R CB -1.435 28.869 30.300 0.005 0.000 0.864 122 R HN -0.009 nan 8.270 nan 0.000 0.440 123 V N 0.657 120.581 119.914 0.015 0.000 2.358 123 V HA -0.204 3.916 4.120 0.000 0.000 0.246 123 V C 2.330 178.435 176.094 0.018 0.000 1.047 123 V CA 2.045 64.358 62.300 0.021 0.000 1.035 123 V CB -0.594 31.245 31.823 0.028 0.000 0.658 123 V HN 0.395 nan 8.190 nan 0.000 0.452 124 Q N 0.475 120.283 119.800 0.014 0.000 2.124 124 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 124 Q C 2.213 178.217 176.000 0.006 0.000 0.977 124 Q CA 2.162 57.971 55.803 0.010 0.000 0.850 124 Q CB -0.339 28.404 28.738 0.008 0.000 0.901 124 Q HN 0.704 nan 8.270 nan 0.000 0.429 125 E N -0.527 119.677 120.200 0.007 0.000 2.106 125 E HA -0.150 4.200 4.350 0.000 0.000 0.192 125 E C 1.856 178.460 176.600 0.006 0.000 0.984 125 E CA 1.088 57.491 56.400 0.005 0.000 0.806 125 E CB -0.083 29.620 29.700 0.005 0.000 0.750 125 E HN 0.507 nan 8.360 nan 0.000 0.458 126 I N 0.274 120.850 120.570 0.011 0.000 2.252 126 I HA -0.241 3.929 4.170 0.000 0.000 0.245 126 I C 2.377 178.501 176.117 0.011 0.000 1.102 126 I CA 0.559 61.867 61.300 0.014 0.000 1.385 126 I CB -0.071 37.941 38.000 0.021 0.000 1.064 126 I HN 0.017 nan 8.210 nan 0.000 0.414 127 V N 0.759 120.680 119.914 0.010 0.000 2.261 127 V HA -0.302 3.818 4.120 0.000 0.000 0.246 127 V C 2.092 178.181 176.094 -0.009 0.000 1.047 127 V CA 2.054 64.357 62.300 0.005 0.000 1.015 127 V CB -0.699 31.128 31.823 0.006 0.000 0.642 127 V HN 0.386 nan 8.190 nan 0.000 0.446 128 D N 0.795 121.189 120.400 -0.009 0.000 2.157 128 D HA -0.197 4.443 4.640 0.000 0.000 0.191 128 D C 2.116 178.405 176.300 -0.019 0.000 1.004 128 D CA 1.939 55.929 54.000 -0.017 0.000 0.854 128 D CB -0.684 40.109 40.800 -0.011 0.000 0.936 128 D HN 0.504 nan 8.370 nan 0.000 0.446 129 G N -0.102 108.692 108.800 -0.009 0.000 2.430 129 G HA2 -0.102 3.858 3.960 0.000 0.000 0.216 129 G HA3 -0.102 3.858 3.960 0.000 0.000 0.216 129 G C 1.792 176.687 174.900 -0.009 0.000 1.146 129 G CA 0.074 45.170 45.100 -0.007 0.000 0.793 129 G HN 0.249 nan 8.290 nan 0.000 0.537 130 L N 0.274 121.493 121.223 -0.007 0.000 2.072 130 L HA -0.041 4.299 4.340 0.000 0.000 0.205 130 L C 2.944 179.799 176.870 -0.026 0.000 1.079 130 L CA 0.372 55.209 54.840 -0.004 0.000 0.752 130 L CB -0.358 41.707 42.059 0.010 0.000 0.906 130 L HN 0.077 nan 8.230 nan 0.000 0.436 131 V N -0.388 119.497 119.914 -0.048 0.000 2.270 131 V HA -0.268 3.852 4.120 0.000 0.000 0.245 131 V C 2.119 178.151 176.094 -0.104 0.000 1.043 131 V CA 1.761 64.000 62.300 -0.100 0.000 1.014 131 V CB -0.553 31.204 31.823 -0.110 0.000 0.645 131 V HN 0.398 nan 8.190 nan 0.000 0.447 132 D N 0.939 121.300 120.400 -0.066 0.000 2.204 132 D HA -0.268 4.372 4.640 0.000 0.000 0.189 132 D C 2.178 178.460 176.300 -0.030 0.000 1.006 132 D CA 2.183 56.155 54.000 -0.045 0.000 0.855 132 D CB -0.528 40.258 40.800 -0.023 0.000 0.946 132 D HN 0.465 nan 8.370 nan 0.000 0.448 133 A N 0.304 123.114 122.820 -0.017 0.000 1.972 133 A HA -0.141 4.179 4.320 0.000 0.000 0.219 133 A C 2.211 179.806 177.584 0.018 0.000 1.169 133 A CA 1.595 53.636 52.037 0.006 0.000 0.635 133 A CB -0.542 18.464 19.000 0.010 0.000 0.810 133 A HN 0.243 nan 8.150 nan 0.000 0.446 134 M N -0.615 118.977 119.600 -0.015 0.000 2.099 134 M HA -0.016 4.465 4.480 0.000 0.000 0.262 134 M C 1.709 178.032 176.300 0.038 0.000 1.067 134 M CA 1.454 56.755 55.300 0.000 0.000 1.124 134 M CB -0.191 32.346 32.600 -0.105 0.000 1.353 134 M HN 0.388 nan 8.290 nan 0.000 0.410 135 L N -0.054 121.106 121.223 -0.105 0.000 2.456 135 L HA -0.082 4.259 4.340 0.000 0.000 0.224 135 L C 2.277 179.244 176.870 0.161 0.000 1.148 135 L CA 0.533 55.335 54.840 -0.064 0.000 0.825 135 L CB -0.733 41.213 42.059 -0.189 0.000 0.937 135 L HN 0.357 nan 8.230 nan 0.000 0.450 136 A N 0.205 123.095 122.820 0.117 0.000 2.235 136 A HA 0.259 4.579 4.320 0.000 0.000 0.208 136 A C 1.332 179.001 177.584 0.141 0.000 1.172 136 A CA 0.412 52.516 52.037 0.111 0.000 0.786 136 A CB -0.367 18.671 19.000 0.063 0.000 0.804 136 A HN 0.269 nan 8.150 nan 0.000 0.479 137 A N 0.870 123.821 122.820 0.219 0.000 2.524 137 A HA 0.450 4.770 4.320 0.000 0.000 0.250 137 A C -0.886 176.765 177.584 0.112 0.000 1.078 137 A CA -0.813 51.324 52.037 0.166 0.000 0.761 137 A CB 0.040 19.160 19.000 0.201 0.000 1.012 137 A HN 0.240 nan 8.150 nan 0.000 0.500 138 P HA -0.145 nan 4.420 nan 0.000 0.217 138 P C 0.630 177.911 177.300 -0.031 0.000 1.150 138 P CA 1.557 64.668 63.100 0.018 0.000 0.832 138 P CB 0.083 31.786 31.700 0.005 0.000 0.787 139 D N -1.541 118.815 120.400 -0.075 0.000 2.349 139 D HA 0.072 4.712 4.640 0.000 0.000 0.224 139 D C 1.277 177.394 176.300 -0.305 0.000 1.029 139 D CA 0.542 54.455 54.000 -0.145 0.000 0.879 139 D CB -1.223 39.501 40.800 -0.127 0.000 0.906 139 D HN 0.185 nan 8.370 nan 0.000 0.528 140 G N 0.579 109.149 108.800 -0.384 0.000 2.249 140 G HA2 -0.343 3.618 3.960 0.000 0.000 0.273 140 G HA3 -0.343 3.618 3.960 0.000 0.000 0.273 140 G C -0.046 173.886 174.900 -1.614 0.000 1.036 140 G CA 0.143 44.587 45.100 -1.093 0.000 0.824 140 G HN 0.492 nan 8.290 nan 0.000 0.504 141 R N -0.565 119.410 120.500 -0.875 0.000 2.686 141 R HA 0.815 5.155 4.340 0.000 0.000 0.286 141 R C -0.066 176.144 176.300 -0.150 0.000 0.969 141 R CA 0.023 55.808 56.100 -0.525 0.000 0.898 141 R CB 2.151 32.287 30.300 -0.275 0.000 1.183 141 R HN 0.745 nan 8.270 nan 0.000 0.456 142 A N 1.185 124.043 122.820 0.063 0.000 2.594 142 A HA 0.373 4.694 4.320 0.000 0.000 0.291 142 A C -1.780 175.875 177.584 0.118 0.000 1.105 142 A CA -0.765 51.383 52.037 0.184 0.000 0.694 142 A CB 1.892 21.119 19.000 0.379 0.000 1.291 142 A HN 0.641 nan 8.150 nan 0.000 0.410 143 D N 0.735 121.186 120.400 0.085 0.000 2.313 143 D HA 0.333 4.973 4.640 0.000 0.000 0.239 143 D C 0.721 177.075 176.300 0.090 0.000 1.142 143 D CA -0.416 53.621 54.000 0.061 0.000 0.847 143 D CB 1.141 41.955 40.800 0.024 0.000 1.082 143 D HN 0.316 nan 8.370 nan 0.000 0.480 144 L N 4.801 126.079 121.223 0.092 0.000 2.201 144 L HA -0.106 4.234 4.340 0.000 0.000 0.212 144 L C 1.833 178.774 176.870 0.118 0.000 1.105 144 L CA 1.407 56.307 54.840 0.099 0.000 0.775 144 L CB -0.323 41.788 42.059 0.088 0.000 0.913 144 L HN 0.543 nan 8.230 nan 0.000 0.440 145 M N -0.809 118.878 119.600 0.144 0.000 2.065 145 M HA -0.260 4.220 4.480 0.000 0.000 0.259 145 M C 2.264 178.752 176.300 0.312 0.000 1.071 145 M CA 2.108 57.585 55.300 0.295 0.000 1.109 145 M CB -1.439 31.402 32.600 0.402 0.000 1.313 145 M HN 0.355 nan 8.290 nan 0.000 0.408 146 E N 0.344 120.646 120.200 0.171 0.000 2.110 146 E HA -0.121 4.229 4.350 0.000 0.000 0.193 146 E C 1.904 178.564 176.600 0.099 0.000 0.988 146 E CA 1.692 58.147 56.400 0.092 0.000 0.804 146 E CB 0.182 29.895 29.700 0.021 0.000 0.745 146 E HN 0.404 nan 8.360 nan 0.000 0.458 147 S N -0.604 115.154 115.700 0.097 0.000 2.446 147 S HA 0.038 4.508 4.470 0.000 0.000 0.225 147 S C 1.374 176.017 174.600 0.072 0.000 1.016 147 S CA 0.756 59.001 58.200 0.075 0.000 0.943 147 S CB 0.253 63.498 63.200 0.074 0.000 0.786 147 S HN 0.303 nan 8.310 nan 0.000 0.508 148 L N -0.599 120.681 121.223 0.095 0.000 2.249 148 L HA 0.525 4.865 4.340 0.000 0.000 0.204 148 L C 1.850 178.779 176.870 0.097 0.000 1.135 148 L CA 0.885 55.771 54.840 0.078 0.000 1.070 148 L CB -0.959 41.125 42.059 0.042 0.000 2.194 148 L HN 0.040 nan 8.230 nan 0.000 0.504 149 A N -0.273 122.611 122.820 0.106 0.000 1.908 149 A HA -0.219 4.101 4.320 0.000 0.000 0.218 149 A C 1.860 179.473 177.584 0.050 0.000 1.181 149 A CA 2.307 54.376 52.037 0.054 0.000 0.627 149 A CB -1.155 17.854 19.000 0.015 0.000 0.818 149 A HN 0.665 nan 8.150 nan 0.000 0.445 150 W N -0.025 121.301 121.300 0.043 0.000 2.480 150 W HA 0.037 4.697 4.660 0.000 0.000 0.299 150 W C -0.453 176.074 176.519 0.014 0.000 1.187 150 W CA 1.430 58.796 57.345 0.034 0.000 1.347 150 W CB -0.757 28.716 29.460 0.021 0.000 1.121 150 W HN 0.316 nan 8.180 nan 0.000 0.533 151 P HA -0.109 nan 4.420 nan 0.000 0.222 151 P C 1.715 179.074 177.300 0.099 0.000 1.153 151 P CA 1.103 64.285 63.100 0.136 0.000 0.798 151 P CB -0.096 31.660 31.700 0.094 0.000 0.796 152 L N 1.323 122.601 121.223 0.091 0.000 1.976 152 L HA 0.003 4.343 4.340 0.000 0.000 0.209 152 L C -0.825 176.092 176.870 0.078 0.000 1.071 152 L CA 2.779 57.661 54.840 0.070 0.000 0.746 152 L CB -2.343 39.750 42.059 0.057 0.000 0.890 152 L HN -0.041 nan 8.230 nan 0.000 0.432 153 P HA -0.137 nan 4.420 nan 0.000 0.216 153 P C 2.180 179.571 177.300 0.151 0.000 1.153 153 P CA 1.646 64.812 63.100 0.110 0.000 0.848 153 P CB -0.142 31.625 31.700 0.111 0.000 0.787 154 I N -1.135 119.533 120.570 0.163 0.000 2.335 154 I HA -0.237 3.933 4.170 0.000 0.000 0.251 154 I C 1.570 177.743 176.117 0.092 0.000 1.129 154 I CA 1.671 63.068 61.300 0.161 0.000 1.402 154 I CB -0.343 37.659 38.000 0.004 0.000 1.069 154 I HN -0.040 nan 8.210 nan 0.000 0.424 155 T N 0.055 114.652 114.554 0.070 0.000 2.770 155 T HA -0.106 4.244 4.350 0.000 0.000 0.263 155 T C 1.904 176.631 174.700 0.045 0.000 1.039 155 T CA 1.551 63.679 62.100 0.046 0.000 1.142 155 T CB -0.273 68.620 68.868 0.041 0.000 0.868 155 T HN 0.192 nan 8.240 nan 0.000 0.435 156 V N 1.263 121.210 119.914 0.055 0.000 2.287 156 V HA -0.125 3.995 4.120 0.000 0.000 0.248 156 V C 2.342 178.467 176.094 0.052 0.000 1.053 156 V CA 1.379 63.710 62.300 0.051 0.000 1.027 156 V CB -0.534 31.324 31.823 0.059 0.000 0.646 156 V HN 0.353 nan 8.190 nan 0.000 0.447 157 I N -0.183 120.427 120.570 0.067 0.000 2.406 157 I HA -0.115 4.055 4.170 0.000 0.000 0.249 157 I C 2.459 178.593 176.117 0.028 0.000 1.122 157 I CA 1.345 62.680 61.300 0.058 0.000 1.431 157 I CB -0.198 37.827 38.000 0.041 0.000 1.087 157 I HN 0.186 nan 8.210 nan 0.000 0.424 158 S N 0.375 116.086 115.700 0.019 0.000 2.368 158 S HA -0.204 4.267 4.470 0.000 0.000 0.225 158 S C 1.844 176.449 174.600 0.010 0.000 1.030 158 S CA 1.564 59.761 58.200 -0.006 0.000 0.999 158 S CB -0.406 62.783 63.200 -0.018 0.000 0.844 158 S HN 0.543 nan 8.310 nan 0.000 0.459 159 E N 0.681 120.890 120.200 0.015 0.000 2.051 159 E HA -0.118 4.232 4.350 0.000 0.000 0.192 159 E C 1.989 178.592 176.600 0.004 0.000 0.991 159 E CA 0.804 57.211 56.400 0.011 0.000 0.799 159 E CB -0.244 29.462 29.700 0.011 0.000 0.748 159 E HN 0.195 nan 8.360 nan 0.000 0.449 160 L N 0.660 121.885 121.223 0.004 0.000 2.013 160 L HA -0.199 4.141 4.340 0.000 0.000 0.212 160 L C 2.076 178.941 176.870 -0.007 0.000 1.073 160 L CA 1.616 56.448 54.840 -0.013 0.000 0.753 160 L CB -0.498 41.559 42.059 -0.003 0.000 0.890 160 L HN 0.235 nan 8.230 nan 0.000 0.432 161 L N -1.101 120.129 121.223 0.013 0.000 2.607 161 L HA 0.227 4.567 4.340 0.000 0.000 0.228 161 L C 1.060 177.942 176.870 0.021 0.000 1.123 161 L CA 0.946 55.799 54.840 0.021 0.000 0.890 161 L CB -0.943 41.134 42.059 0.030 0.000 1.103 161 L HN 0.569 nan 8.230 nan 0.000 0.468 162 G N 1.251 110.062 108.800 0.018 0.000 2.272 162 G HA2 -0.230 3.730 3.960 0.000 0.000 0.280 162 G HA3 -0.230 3.730 3.960 0.000 0.000 0.280 162 G C 0.064 174.993 174.900 0.049 0.000 1.067 162 G CA 0.136 45.253 45.100 0.027 0.000 0.902 162 G HN 0.121 nan 8.290 nan 0.000 0.500 163 V N 1.191 121.136 119.914 0.052 0.000 2.432 163 V HA 0.334 4.454 4.120 0.000 0.000 0.271 163 V C -1.301 174.847 176.094 0.090 0.000 1.046 163 V CA -1.457 60.902 62.300 0.099 0.000 0.945 163 V CB 1.462 33.316 31.823 0.052 0.000 0.992 163 V HN 0.196 nan 8.190 nan 0.000 0.471 164 P HA 0.043 nan 4.420 nan 0.000 0.268 164 P C 0.840 178.182 177.300 0.071 0.000 1.204 164 P CA 0.060 63.215 63.100 0.091 0.000 0.768 164 P CB 0.688 32.455 31.700 0.111 0.000 0.842 165 E N 6.682 126.908 120.200 0.044 0.000 2.164 165 E HA -0.235 4.115 4.350 0.000 0.000 0.206 165 E C -0.987 175.626 176.600 0.023 0.000 1.032 165 E CA 2.538 58.954 56.400 0.027 0.000 0.832 165 E CB -2.047 27.665 29.700 0.020 0.000 0.742 165 E HN 0.392 nan 8.360 nan 0.000 0.460 166 P HA -0.004 nan 4.420 nan 0.000 0.230 166 P C 0.202 177.508 177.300 0.010 0.000 1.158 166 P CA 1.329 64.440 63.100 0.018 0.000 0.769 166 P CB 0.040 31.758 31.700 0.030 0.000 0.807 167 D N -1.563 118.860 120.400 0.038 0.000 2.354 167 D HA 0.058 4.698 4.640 0.000 0.000 0.209 167 D C 1.804 178.101 176.300 -0.005 0.000 1.015 167 D CA 0.378 54.386 54.000 0.013 0.000 0.867 167 D CB -0.110 40.782 40.800 0.154 0.000 0.933 167 D HN 0.152 nan 8.370 nan 0.000 0.520 168 R N 0.612 121.120 120.500 0.014 0.000 2.153 168 R HA 0.132 4.472 4.340 0.000 0.000 0.218 168 R C 2.128 178.440 176.300 0.020 0.000 1.072 168 R CA 0.881 56.999 56.100 0.031 0.000 0.990 168 R CB -0.065 30.226 30.300 -0.014 0.000 0.889 168 R HN 0.034 nan 8.270 nan 0.000 0.452 169 A N 1.880 124.662 122.820 -0.064 0.000 1.883 169 A HA -0.174 4.146 4.320 0.000 0.000 0.217 169 A C 2.459 179.905 177.584 -0.230 0.000 1.186 169 A CA 1.760 53.722 52.037 -0.125 0.000 0.624 169 A CB -0.870 18.053 19.000 -0.128 0.000 0.822 169 A HN 0.362 nan 8.150 nan 0.000 0.444 170 A N -1.170 121.426 122.820 -0.373 0.000 1.985 170 A HA -0.228 4.093 4.320 0.000 0.000 0.223 170 A C 1.937 179.016 177.584 -0.842 0.000 1.189 170 A CA 2.101 53.640 52.037 -0.830 0.000 0.658 170 A CB -0.916 17.319 19.000 -1.274 0.000 0.820 170 A HN 0.527 nan 8.150 nan 0.000 0.464 171 F N -0.955 118.758 119.950 -0.396 0.000 2.146 171 F HA -0.055 4.472 4.527 0.000 0.000 0.298 171 F C 2.429 178.206 175.800 -0.037 0.000 1.096 171 F CA 1.637 59.610 58.000 -0.045 0.000 1.275 171 F CB -0.369 38.682 39.000 0.084 0.000 1.008 171 F HN 0.158 nan 8.300 nan 0.000 0.480 172 R N 0.251 120.760 120.500 0.016 0.000 2.127 172 R HA -0.142 4.198 4.340 0.000 0.000 0.238 172 R C 1.982 178.200 176.300 -0.137 0.000 1.134 172 R CA 1.347 57.381 56.100 -0.110 0.000 0.975 172 R CB -0.341 29.747 30.300 -0.353 0.000 0.865 172 R HN 0.177 nan 8.270 nan 0.000 0.447 173 V N -0.543 119.244 119.914 -0.213 0.000 2.270 173 V HA -0.230 3.891 4.120 0.000 0.000 0.245 173 V C 2.060 178.134 176.094 -0.033 0.000 1.043 173 V CA 1.464 63.640 62.300 -0.206 0.000 1.014 173 V CB -0.636 30.971 31.823 -0.360 0.000 0.645 173 V HN 0.442 nan 8.190 nan 0.000 0.447 174 W N 1.049 122.327 121.300 -0.037 0.000 2.374 174 W HA -0.146 4.514 4.660 0.000 0.000 0.288 174 W C 2.828 179.419 176.519 0.121 0.000 1.218 174 W CA 2.118 59.453 57.345 -0.016 0.000 1.245 174 W CB -1.566 27.794 29.460 -0.168 0.000 1.126 174 W HN 0.552 nan 8.180 nan 0.000 0.545 175 T N -1.968 112.816 114.554 0.384 0.000 2.851 175 T HA -0.122 4.229 4.350 0.000 0.000 0.262 175 T C 1.075 176.021 174.700 0.409 0.000 1.043 175 T CA 1.244 63.605 62.100 0.435 0.000 1.140 175 T CB -0.578 68.617 68.868 0.544 0.000 0.872 175 T HN -0.213 nan 8.240 nan 0.000 0.446 176 D N 1.693 122.302 120.400 0.349 0.000 2.408 176 D HA 0.269 4.909 4.640 0.000 0.000 0.248 176 D C 1.279 177.721 176.300 0.237 0.000 1.122 176 D CA 0.750 54.921 54.000 0.285 0.000 0.964 176 D CB -0.109 40.756 40.800 0.108 0.000 0.884 176 D HN 0.680 nan 8.370 nan 0.000 0.524 177 A N -0.942 122.035 122.820 0.262 0.000 1.786 177 A HA 0.113 4.433 4.320 0.000 0.000 0.208 177 A C 1.500 179.213 177.584 0.215 0.000 1.787 177 A CA -0.313 51.859 52.037 0.225 0.000 1.125 177 A CB -0.586 18.554 19.000 0.234 0.000 1.082 177 A HN 0.112 nan 8.150 nan 0.000 0.534 178 F N 1.701 121.716 119.950 0.108 0.000 1.990 178 F HA -0.215 4.312 4.527 0.000 0.000 0.297 178 F C 2.274 178.068 175.800 -0.009 0.000 1.199 178 F CA 2.788 60.821 58.000 0.054 0.000 1.184 178 F CB -0.629 38.427 39.000 0.094 0.000 0.956 178 F HN 0.048 nan 8.300 nan 0.000 0.503 179 V N -0.313 119.656 119.914 0.091 0.000 2.214 179 V HA -0.286 3.834 4.120 0.000 0.000 0.247 179 V C 0.673 176.535 176.094 -0.387 0.000 1.051 179 V CA 1.946 64.072 62.300 -0.291 0.000 1.003 179 V CB -0.862 30.692 31.823 -0.450 0.000 0.635 179 V HN 0.239 nan 8.190 nan 0.000 0.447 180 F N 1.246 121.174 119.950 -0.037 0.000 2.311 180 F HA 0.461 4.989 4.527 0.000 0.000 0.371 180 F C -1.688 174.099 175.800 -0.021 0.000 1.083 180 F CA -2.536 55.397 58.000 -0.112 0.000 1.113 180 F CB 0.246 38.959 39.000 -0.478 0.000 1.349 180 F HN 0.091 nan 8.300 nan 0.000 0.470 181 P HA 0.256 nan 4.420 nan 0.000 0.339 181 P C 0.400 177.799 177.300 0.165 0.000 1.413 181 P CA 1.093 64.279 63.100 0.143 0.000 0.833 181 P CB 0.496 32.250 31.700 0.091 0.000 2.004 182 D N -3.217 117.260 120.400 0.127 0.000 3.691 182 D HA 0.145 4.785 4.640 0.000 0.000 0.377 182 D C -0.492 175.858 176.300 0.084 0.000 0.761 182 D CA 0.330 54.400 54.000 0.117 0.000 0.869 182 D CB -0.967 39.903 40.800 0.117 0.000 1.713 182 D HN 0.517 nan 8.370 nan 0.000 0.229 183 D N -1.673 118.772 120.400 0.075 0.000 2.266 183 D HA 0.234 4.874 4.640 0.000 0.000 0.174 183 D C -2.506 173.825 176.300 0.051 0.000 1.096 183 D CA -0.341 53.693 54.000 0.057 0.000 0.853 183 D CB 1.632 42.463 40.800 0.052 0.000 3.128 183 D HN -0.081 nan 8.370 nan 0.000 0.484 184 P HA -0.070 nan 4.420 nan 0.000 0.214 184 P C 1.257 178.572 177.300 0.025 0.000 1.163 184 P CA 2.210 65.327 63.100 0.030 0.000 0.889 184 P CB 0.153 31.868 31.700 0.025 0.000 0.790 185 A N 0.157 122.992 122.820 0.025 0.000 2.024 185 A HA -0.262 4.058 4.320 0.000 0.000 0.220 185 A C 2.257 179.859 177.584 0.030 0.000 1.164 185 A CA 1.912 53.962 52.037 0.021 0.000 0.643 185 A CB -1.307 17.704 19.000 0.020 0.000 0.806 185 A HN 0.422 nan 8.150 nan 0.000 0.451 186 Q N -0.923 118.903 119.800 0.043 0.000 2.331 186 Q HA 0.208 4.548 4.340 0.000 0.000 0.203 186 Q C 1.877 177.923 176.000 0.076 0.000 0.944 186 Q CA 1.094 56.934 55.803 0.061 0.000 0.892 186 Q CB -0.352 28.427 28.738 0.069 0.000 0.983 186 Q HN 0.446 nan 8.270 nan 0.000 0.482 187 A N 1.058 123.916 122.820 0.062 0.000 1.930 187 A HA -0.158 4.162 4.320 0.000 0.000 0.217 187 A C 2.121 179.733 177.584 0.047 0.000 1.175 187 A CA 1.206 53.281 52.037 0.063 0.000 0.627 187 A CB -0.331 18.682 19.000 0.021 0.000 0.815 187 A HN 0.374 nan 8.150 nan 0.000 0.443 188 Q N -0.419 119.392 119.800 0.019 0.000 2.084 188 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 188 Q C 2.148 178.141 176.000 -0.011 0.000 0.978 188 Q CA 2.024 57.825 55.803 -0.004 0.000 0.844 188 Q CB -1.080 27.651 28.738 -0.011 0.000 0.898 188 Q HN 0.630 nan 8.270 nan 0.000 0.426 189 T N 1.445 116.005 114.554 0.010 0.000 2.777 189 T HA -0.069 4.281 4.350 0.000 0.000 0.266 189 T C 1.882 176.574 174.700 -0.013 0.000 1.040 189 T CA 1.346 63.451 62.100 0.009 0.000 1.141 189 T CB -0.237 68.657 68.868 0.044 0.000 0.868 189 T HN 0.417 nan 8.240 nan 0.000 0.444 190 A N 1.558 124.396 122.820 0.030 0.000 1.865 190 A HA -0.139 4.181 4.320 0.000 0.000 0.217 190 A C 2.352 179.754 177.584 -0.303 0.000 1.191 190 A CA 1.787 53.812 52.037 -0.019 0.000 0.623 190 A CB -0.781 18.333 19.000 0.191 0.000 0.826 190 A HN 0.445 nan 8.150 nan 0.000 0.444 191 M N -0.720 118.811 119.600 -0.116 0.000 2.082 191 M HA -0.243 4.237 4.480 0.000 0.000 0.258 191 M C 2.604 178.747 176.300 -0.261 0.000 1.071 191 M CA 1.770 56.981 55.300 -0.148 0.000 1.103 191 M CB -0.565 32.032 32.600 -0.004 0.000 1.307 191 M HN 0.513 nan 8.290 nan 0.000 0.409 192 A N 0.084 122.793 122.820 -0.185 0.000 1.892 192 A HA -0.241 4.080 4.320 0.000 0.000 0.218 192 A C 1.882 179.327 177.584 -0.231 0.000 1.188 192 A CA 2.213 54.148 52.037 -0.169 0.000 0.631 192 A CB -0.869 18.073 19.000 -0.097 0.000 0.822 192 A HN 0.592 nan 8.150 nan 0.000 0.447 193 E N -1.322 118.693 120.200 -0.310 0.000 2.106 193 E HA -0.159 4.191 4.350 0.000 0.000 0.192 193 E C 2.059 178.207 176.600 -0.755 0.000 0.984 193 E CA 1.254 57.442 56.400 -0.353 0.000 0.806 193 E CB -0.211 29.399 29.700 -0.150 0.000 0.750 193 E HN 0.732 nan 8.360 nan 0.000 0.458 194 M N 0.367 119.220 119.600 -1.245 0.000 2.086 194 M HA -0.196 4.284 4.480 0.000 0.000 0.261 194 M C 2.435 178.454 176.300 -0.468 0.000 1.067 194 M CA 1.572 56.130 55.300 -1.236 0.000 1.116 194 M CB -0.038 31.928 32.600 -1.057 0.000 1.348 194 M HN 0.050 nan 8.290 nan 0.000 0.407 195 S N -0.106 115.378 115.700 -0.360 0.000 2.368 195 S HA -0.088 4.382 4.470 0.000 0.000 0.225 195 S C 1.968 176.488 174.600 -0.134 0.000 1.030 195 S CA 1.613 59.687 58.200 -0.209 0.000 0.999 195 S CB -1.002 62.076 63.200 -0.204 0.000 0.844 195 S HN 0.690 nan 8.310 nan 0.000 0.459 196 G N 0.022 108.743 108.800 -0.132 0.000 2.491 196 G HA2 -0.268 3.693 3.960 0.000 0.000 0.218 196 G HA3 -0.268 3.693 3.960 0.000 0.000 0.218 196 G C 1.338 176.234 174.900 -0.007 0.000 1.180 196 G CA 1.175 46.241 45.100 -0.057 0.000 0.774 196 G HN 0.657 nan 8.290 nan 0.000 0.562 197 Y N 1.128 121.383 120.300 -0.075 0.000 2.145 197 Y HA -0.037 4.513 4.550 0.000 0.000 0.286 197 Y C 2.579 178.521 175.900 0.071 0.000 1.145 197 Y CA 1.512 59.637 58.100 0.042 0.000 1.148 197 Y CB -0.341 38.206 38.460 0.145 0.000 0.981 197 Y HN 0.122 nan 8.280 nan 0.000 0.507 198 L N -0.849 120.304 121.223 -0.117 0.000 2.083 198 L HA -0.232 4.108 4.340 0.000 0.000 0.209 198 L C 2.534 179.305 176.870 -0.165 0.000 1.083 198 L CA 1.500 56.256 54.840 -0.141 0.000 0.752 198 L CB -0.671 41.422 42.059 0.056 0.000 0.899 198 L HN 0.157 nan 8.230 nan 0.000 0.433 199 S N -0.420 115.209 115.700 -0.119 0.000 2.370 199 S HA -0.178 4.292 4.470 0.000 0.000 0.226 199 S C 2.043 176.576 174.600 -0.112 0.000 1.033 199 S CA 1.250 59.393 58.200 -0.095 0.000 1.011 199 S CB -0.210 62.948 63.200 -0.071 0.000 0.852 199 S HN 0.374 nan 8.310 nan 0.000 0.457 200 R N 0.176 120.589 120.500 -0.145 0.000 2.090 200 R HA 0.086 4.427 4.340 0.000 0.000 0.228 200 R C 2.293 178.491 176.300 -0.171 0.000 1.110 200 R CA 0.679 56.706 56.100 -0.122 0.000 0.973 200 R CB -0.460 29.791 30.300 -0.082 0.000 0.869 200 R HN 0.257 nan 8.270 nan 0.000 0.440 201 L N 1.305 122.325 121.223 -0.337 0.000 2.042 201 L HA -0.160 4.180 4.340 0.000 0.000 0.210 201 L C 1.932 178.726 176.870 -0.126 0.000 1.076 201 L CA 1.660 56.336 54.840 -0.273 0.000 0.749 201 L CB -0.274 41.528 42.059 -0.428 0.000 0.893 201 L HN 0.104 nan 8.230 nan 0.000 0.432 202 I N -0.398 120.106 120.570 -0.110 0.000 2.127 202 I HA -0.319 3.852 4.170 0.000 0.000 0.241 202 I C 2.019 178.108 176.117 -0.046 0.000 1.075 202 I CA 1.599 62.865 61.300 -0.058 0.000 1.334 202 I CB -0.505 37.467 38.000 -0.047 0.000 1.040 202 I HN 0.272 nan 8.210 nan 0.000 0.405 203 D N 0.231 120.600 120.400 -0.052 0.000 2.149 203 D HA -0.170 4.470 4.640 0.000 0.000 0.198 203 D C 2.349 178.633 176.300 -0.028 0.000 0.990 203 D CA 1.691 55.670 54.000 -0.036 0.000 0.839 203 D CB -0.313 40.466 40.800 -0.035 0.000 0.948 203 D HN 0.355 nan 8.370 nan 0.000 0.460 204 S N -0.136 115.544 115.700 -0.033 0.000 2.469 204 S HA -0.097 4.373 4.470 0.000 0.000 0.238 204 S C 1.610 176.204 174.600 -0.010 0.000 0.998 204 S CA 0.616 58.806 58.200 -0.017 0.000 0.957 204 S CB -0.005 63.187 63.200 -0.014 0.000 0.764 204 S HN 0.023 nan 8.310 nan 0.000 0.514 205 K N 1.226 121.617 120.400 -0.014 0.000 2.243 205 K HA 0.183 4.503 4.320 0.000 0.000 0.201 205 K C 0.653 177.249 176.600 -0.006 0.000 1.051 205 K CA 0.194 56.477 56.287 -0.007 0.000 0.970 205 K CB -0.241 32.254 32.500 -0.008 0.000 0.755 205 K HN 0.487 nan 8.250 nan 0.000 0.465 206 R N 0.725 121.220 120.500 -0.009 0.000 2.522 206 R HA 0.070 4.410 4.340 0.000 0.000 0.284 206 R C 0.851 177.149 176.300 -0.005 0.000 1.032 206 R CA 0.859 56.955 56.100 -0.008 0.000 1.049 206 R CB -0.179 30.115 30.300 -0.009 0.000 0.956 206 R HN 0.417 nan 8.270 nan 0.000 0.422 207 G N 2.150 110.948 108.800 -0.004 0.000 2.155 207 G HA2 -0.274 3.687 3.960 0.000 0.000 0.257 207 G HA3 -0.274 3.687 3.960 0.000 0.000 0.257 207 G C 0.606 175.505 174.900 -0.001 0.000 0.983 207 G CA 0.076 45.174 45.100 -0.003 0.000 0.676 207 G HN 0.590 nan 8.290 nan 0.000 0.528 208 Q N 0.041 119.841 119.800 -0.001 0.000 2.247 208 Q HA 0.166 4.506 4.340 0.000 0.000 0.211 208 Q C 0.768 176.768 176.000 0.000 0.000 0.861 208 Q CA 0.589 56.392 55.803 0.001 0.000 0.949 208 Q CB 0.405 29.144 28.738 0.002 0.000 1.115 208 Q HN 0.609 nan 8.270 nan 0.000 0.507 209 D N 0.377 120.776 120.400 -0.001 0.000 2.911 209 D HA -0.149 4.491 4.640 0.000 0.000 0.227 209 D C 0.495 176.794 176.300 -0.002 0.000 1.164 209 D CA 1.356 55.355 54.000 -0.002 0.000 0.782 209 D CB -1.641 39.158 40.800 -0.002 0.000 1.094 209 D HN 0.378 nan 8.370 nan 0.000 0.425 210 G N -0.051 108.748 108.800 -0.001 0.000 2.554 210 G HA2 0.223 4.184 3.960 0.000 0.000 0.238 210 G HA3 0.223 4.184 3.960 0.000 0.000 0.238 210 G C 0.783 175.680 174.900 -0.005 0.000 1.259 210 G CA -0.290 44.810 45.100 -0.001 0.000 0.843 210 G HN 0.227 nan 8.290 nan 0.000 0.582 211 E N -0.225 119.971 120.200 -0.007 0.000 2.498 211 E HA 0.023 4.374 4.350 0.000 0.000 0.203 211 E C 0.313 176.903 176.600 -0.017 0.000 1.013 211 E CA -0.284 56.109 56.400 -0.012 0.000 0.927 211 E CB 0.398 30.091 29.700 -0.013 0.000 1.012 211 E HN 0.778 nan 8.360 nan 0.000 0.482 212 D N 0.574 120.967 120.400 -0.012 0.000 2.371 212 D HA -0.057 4.583 4.640 0.000 0.000 0.242 212 D C 1.154 177.444 176.300 -0.018 0.000 1.218 212 D CA -0.378 53.613 54.000 -0.015 0.000 0.945 212 D CB 1.754 42.552 40.800 -0.004 0.000 1.137 212 D HN -0.067 nan 8.370 nan 0.000 0.464 213 L N 0.357 121.567 121.223 -0.022 0.000 2.093 213 L HA -0.098 4.242 4.340 0.000 0.000 0.208 213 L C 2.181 179.052 176.870 0.002 0.000 1.085 213 L CA 1.145 55.972 54.840 -0.021 0.000 0.755 213 L CB -0.946 41.095 42.059 -0.029 0.000 0.904 213 L HN 0.527 nan 8.230 nan 0.000 0.435 214 L N -1.127 120.103 121.223 0.011 0.000 2.046 214 L HA -0.145 4.196 4.340 0.000 0.000 0.208 214 L C 2.478 179.353 176.870 0.007 0.000 1.077 214 L CA 1.860 56.710 54.840 0.016 0.000 0.747 214 L CB -0.725 41.346 42.059 0.020 0.000 0.896 214 L HN 0.256 nan 8.230 nan 0.000 0.432 215 S N -0.415 115.286 115.700 0.002 0.000 2.382 215 S HA -0.150 4.321 4.470 0.000 0.000 0.228 215 S C 2.066 176.664 174.600 -0.003 0.000 1.027 215 S CA 1.073 59.272 58.200 -0.001 0.000 0.991 215 S CB -0.499 62.700 63.200 -0.002 0.000 0.823 215 S HN 0.654 nan 8.310 nan 0.000 0.469 216 A N 1.145 123.963 122.820 -0.004 0.000 1.930 216 A HA 0.070 4.390 4.320 0.000 0.000 0.217 216 A C 2.087 179.671 177.584 -0.000 0.000 1.175 216 A CA 0.953 52.987 52.037 -0.006 0.000 0.627 216 A CB -0.581 18.411 19.000 -0.013 0.000 0.815 216 A HN 0.443 nan 8.150 nan 0.000 0.443 217 L N -0.569 120.658 121.223 0.005 0.000 2.056 217 L HA -0.141 4.199 4.340 0.000 0.000 0.207 217 L C 2.522 179.396 176.870 0.007 0.000 1.078 217 L CA 0.888 55.735 54.840 0.011 0.000 0.749 217 L CB -0.535 41.537 42.059 0.022 0.000 0.901 217 L HN 0.231 nan 8.230 nan 0.000 0.433 218 V N 0.010 119.926 119.914 0.003 0.000 2.282 218 V HA -0.347 3.773 4.120 0.000 0.000 0.249 218 V C 2.637 178.729 176.094 -0.003 0.000 1.057 218 V CA 1.950 64.249 62.300 -0.002 0.000 1.032 218 V CB -0.671 31.149 31.823 -0.005 0.000 0.645 218 V HN 0.432 nan 8.190 nan 0.000 0.447 219 R N -0.558 119.941 120.500 -0.002 0.000 2.075 219 R HA -0.123 4.218 4.340 0.000 0.000 0.232 219 R C 2.428 178.727 176.300 -0.002 0.000 1.126 219 R CA 1.784 57.883 56.100 -0.003 0.000 0.963 219 R CB -0.791 29.507 30.300 -0.004 0.000 0.858 219 R HN 0.523 nan 8.270 nan 0.000 0.435 220 T N 0.449 115.003 114.554 -0.000 0.000 2.624 220 T HA -0.243 4.107 4.350 0.000 0.000 0.268 220 T C 1.935 176.636 174.700 0.001 0.000 1.041 220 T CA 2.071 64.172 62.100 0.002 0.000 1.159 220 T CB -0.365 68.506 68.868 0.005 0.000 0.863 220 T HN 0.260 nan 8.240 nan 0.000 0.434 221 S N 0.534 116.235 115.700 0.001 0.000 2.368 221 S HA -0.151 4.319 4.470 0.000 0.000 0.224 221 S C 1.760 176.358 174.600 -0.004 0.000 1.029 221 S CA 1.392 59.592 58.200 -0.001 0.000 0.988 221 S CB -0.552 62.647 63.200 -0.003 0.000 0.838 221 S HN 0.377 nan 8.310 nan 0.000 0.462 222 D N 1.033 121.431 120.400 -0.005 0.000 2.178 222 D HA -0.036 4.604 4.640 0.000 0.000 0.202 222 D C 1.991 178.288 176.300 -0.004 0.000 0.974 222 D CA 0.909 54.905 54.000 -0.006 0.000 0.841 222 D CB -0.313 40.483 40.800 -0.006 0.000 0.953 222 D HN 0.621 nan 8.370 nan 0.000 0.478 223 E N -0.219 119.979 120.200 -0.003 0.000 2.152 223 E HA -0.070 4.280 4.350 0.000 0.000 0.192 223 E C 0.152 176.752 176.600 -0.001 0.000 0.983 223 E CA 0.693 57.092 56.400 -0.002 0.000 0.818 223 E CB 0.361 30.060 29.700 -0.001 0.000 0.758 223 E HN 0.034 nan 8.360 nan 0.000 0.467 224 D N -1.547 118.852 120.400 -0.001 0.000 2.452 224 D HA 0.098 4.738 4.640 0.000 0.000 0.226 224 D C 0.382 176.682 176.300 0.000 0.000 1.366 224 D CA -0.171 53.829 54.000 0.000 0.000 0.986 224 D CB 1.143 41.944 40.800 0.002 0.000 1.420 224 D HN 0.037 nan 8.370 nan 0.000 0.583 225 G N 1.451 110.250 108.800 -0.002 0.000 2.509 225 G HA2 -0.186 3.775 3.960 0.000 0.000 0.218 225 G HA3 -0.186 3.775 3.960 0.000 0.000 0.218 225 G C 1.315 176.216 174.900 0.001 0.000 1.124 225 G CA 1.155 46.253 45.100 -0.003 0.000 0.776 225 G HN 0.486 nan 8.290 nan 0.000 0.547 226 S N 0.028 115.730 115.700 0.004 0.000 2.470 226 S HA 0.086 4.556 4.470 0.000 0.000 0.225 226 S C 2.142 176.749 174.600 0.012 0.000 1.006 226 S CA 0.228 58.433 58.200 0.009 0.000 0.934 226 S CB -0.089 63.116 63.200 0.009 0.000 0.778 226 S HN 0.434 nan 8.310 nan 0.000 0.517 227 R N -0.135 120.371 120.500 0.010 0.000 2.119 227 R HA 0.347 4.687 4.340 0.000 0.000 0.222 227 R C -0.419 175.890 176.300 0.015 0.000 1.088 227 R CA 0.578 56.685 56.100 0.011 0.000 0.984 227 R CB -0.105 30.200 30.300 0.008 0.000 0.884 227 R HN 0.383 nan 8.270 nan 0.000 0.447 228 L N 1.202 122.433 121.223 0.012 0.000 2.680 228 L HA 0.146 4.487 4.340 0.000 0.000 0.260 228 L C -0.348 176.526 176.870 0.006 0.000 0.975 228 L CA -0.355 54.494 54.840 0.015 0.000 0.920 228 L CB 1.535 43.603 42.059 0.014 0.000 1.234 228 L HN 0.067 nan 8.230 nan 0.000 0.429 229 T N 0.012 114.567 114.554 0.003 0.000 2.813 229 T HA 0.262 4.612 4.350 0.000 0.000 0.297 229 T C 1.402 176.084 174.700 -0.030 0.000 1.036 229 T CA 0.178 62.267 62.100 -0.018 0.000 1.044 229 T CB 0.982 69.830 68.868 -0.034 0.000 0.993 229 T HN 0.791 nan 8.240 nan 0.000 0.535 230 S N 0.531 116.205 115.700 -0.044 0.000 2.382 230 S HA -0.189 4.281 4.470 0.000 0.000 0.228 230 S C 1.681 176.241 174.600 -0.068 0.000 1.027 230 S CA 1.312 59.484 58.200 -0.048 0.000 0.991 230 S CB -0.836 62.335 63.200 -0.048 0.000 0.823 230 S HN 0.839 nan 8.310 nan 0.000 0.469 231 E N 1.406 121.532 120.200 -0.124 0.000 2.085 231 E HA -0.174 4.176 4.350 0.000 0.000 0.194 231 E C 2.214 178.770 176.600 -0.075 0.000 0.994 231 E CA 1.615 57.904 56.400 -0.186 0.000 0.801 231 E CB -0.218 29.168 29.700 -0.522 0.000 0.743 231 E HN 0.752 nan 8.360 nan 0.000 0.453 232 E N 0.373 120.558 120.200 -0.026 0.000 2.208 232 E HA -0.138 4.212 4.350 0.000 0.000 0.193 232 E C 1.999 178.630 176.600 0.051 0.000 0.988 232 E CA 0.272 56.710 56.400 0.063 0.000 0.828 232 E CB 0.037 29.779 29.700 0.070 0.000 0.763 232 E HN 0.091 nan 8.360 nan 0.000 0.478 233 L N 1.112 122.347 121.223 0.020 0.000 2.027 233 L HA -0.114 4.227 4.340 0.000 0.000 0.206 233 L C 2.109 178.998 176.870 0.030 0.000 1.074 233 L CA 1.392 56.245 54.840 0.022 0.000 0.745 233 L CB -0.532 41.529 42.059 0.003 0.000 0.898 233 L HN 0.154 nan 8.230 nan 0.000 0.433 234 L N -0.040 121.193 121.223 0.016 0.000 2.056 234 L HA 0.055 4.395 4.340 0.000 0.000 0.207 234 L C 2.323 179.235 176.870 0.069 0.000 1.078 234 L CA 2.072 56.925 54.840 0.022 0.000 0.749 234 L CB -1.506 40.544 42.059 -0.015 0.000 0.901 234 L HN 0.285 nan 8.230 nan 0.000 0.433 235 G N -0.439 108.412 108.800 0.084 0.000 2.442 235 G HA2 -0.363 3.597 3.960 0.000 0.000 0.219 235 G HA3 -0.363 3.597 3.960 0.000 0.000 0.219 235 G C 1.565 176.558 174.900 0.154 0.000 1.141 235 G CA 1.184 46.372 45.100 0.146 0.000 0.763 235 G HN 0.464 nan 8.290 nan 0.000 0.554 236 M N 1.223 120.887 119.600 0.107 0.000 2.156 236 M HA 0.328 4.808 4.480 0.000 0.000 0.264 236 M C 2.674 179.020 176.300 0.077 0.000 1.067 236 M CA 1.635 56.986 55.300 0.084 0.000 1.131 236 M CB -0.296 32.346 32.600 0.070 0.000 1.368 236 M HN 0.188 nan 8.290 nan 0.000 0.416 237 A N -0.547 122.325 122.820 0.086 0.000 1.908 237 A HA -0.254 4.066 4.320 0.000 0.000 0.218 237 A C 2.328 179.976 177.584 0.107 0.000 1.181 237 A CA 2.108 54.200 52.037 0.091 0.000 0.627 237 A CB -1.496 17.559 19.000 0.093 0.000 0.818 237 A HN 0.800 nan 8.150 nan 0.000 0.445 238 H N -0.977 118.112 119.070 0.031 0.000 2.293 238 H HA -0.120 4.437 4.556 0.000 0.000 0.300 238 H C 2.073 177.384 175.328 -0.028 0.000 1.082 238 H CA 1.983 58.032 56.048 0.001 0.000 1.308 238 H CB -0.175 29.558 29.762 -0.048 0.000 1.375 238 H HN 0.368 nan 8.280 nan 0.000 0.495 239 I N 1.008 121.459 120.570 -0.199 0.000 2.394 239 I HA -0.215 3.955 4.170 0.000 0.000 0.251 239 I C 2.455 178.451 176.117 -0.201 0.000 1.136 239 I CA 0.770 61.919 61.300 -0.251 0.000 1.425 239 I CB -0.243 37.730 38.000 -0.044 0.000 1.079 239 I HN 0.261 nan 8.210 nan 0.000 0.425 240 L N -0.896 120.256 121.223 -0.119 0.000 2.156 240 L HA -0.158 4.182 4.340 0.000 0.000 0.208 240 L C 2.337 179.119 176.870 -0.148 0.000 1.095 240 L CA 1.011 55.788 54.840 -0.105 0.000 0.770 240 L CB -0.474 41.594 42.059 0.016 0.000 0.914 240 L HN 0.258 nan 8.230 nan 0.000 0.439 241 L N -0.656 120.470 121.223 -0.161 0.000 2.095 241 L HA -0.107 4.233 4.340 0.000 0.000 0.204 241 L C 2.512 179.071 176.870 -0.518 0.000 1.080 241 L CA 0.870 55.564 54.840 -0.244 0.000 0.759 241 L CB -0.292 41.733 42.059 -0.057 0.000 0.914 241 L HN 0.200 nan 8.230 nan 0.000 0.439 242 V N -3.298 116.395 119.914 -0.369 0.000 2.649 242 V HA 0.039 4.159 4.120 0.000 0.000 0.248 242 V C 2.537 178.480 176.094 -0.253 0.000 1.054 242 V CA 0.985 63.095 62.300 -0.316 0.000 1.073 242 V CB -0.791 30.845 31.823 -0.310 0.000 0.699 242 V HN 0.253 nan 8.190 nan 0.000 0.463 243 A N 1.978 124.657 122.820 -0.236 0.000 1.873 243 A HA -0.217 4.103 4.320 0.000 0.000 0.219 243 A C 2.411 179.936 177.584 -0.098 0.000 1.269 243 A CA 3.024 54.977 52.037 -0.141 0.000 0.671 243 A CB -1.800 17.113 19.000 -0.145 0.000 0.842 243 A HN 0.888 nan 8.150 nan 0.000 0.460 244 G N -2.510 106.219 108.800 -0.118 0.000 2.509 244 G HA2 -0.150 3.810 3.960 0.000 0.000 0.218 244 G HA3 -0.150 3.810 3.960 0.000 0.000 0.218 244 G C 1.264 176.204 174.900 0.067 0.000 1.124 244 G CA 1.111 46.195 45.100 -0.027 0.000 0.776 244 G HN 0.696 nan 8.290 nan 0.000 0.547 245 H N 0.096 119.164 119.070 -0.003 0.000 2.457 245 H HA 0.118 4.674 4.556 0.000 0.000 0.294 245 H C 2.633 177.891 175.328 -0.117 0.000 1.064 245 H CA 1.447 57.492 56.048 -0.005 0.000 1.330 245 H CB -0.266 29.599 29.762 0.171 0.000 1.395 245 H HN 0.572 nan 8.280 nan 0.000 0.541 246 E N 0.437 120.675 120.200 0.064 0.000 2.415 246 E HA 0.022 4.372 4.350 0.000 0.000 0.197 246 E C 2.020 178.603 176.600 -0.029 0.000 1.007 246 E CA 1.039 57.429 56.400 -0.016 0.000 0.890 246 E CB -0.305 29.376 29.700 -0.032 0.000 0.891 246 E HN 0.644 nan 8.360 nan 0.000 0.496 247 T N -4.347 110.194 114.554 -0.021 0.000 3.182 247 T HA -0.009 4.341 4.350 0.000 0.000 0.244 247 T C 2.252 176.949 174.700 -0.005 0.000 0.981 247 T CA 1.269 63.366 62.100 -0.005 0.000 1.182 247 T CB -0.307 68.567 68.868 0.011 0.000 1.043 247 T HN 0.149 nan 8.240 nan 0.000 0.424 248 T N 2.565 117.123 114.554 0.007 0.000 2.746 248 T HA -0.037 4.314 4.350 0.000 0.000 0.267 248 T C 2.098 176.781 174.700 -0.029 0.000 1.039 248 T CA 1.345 63.457 62.100 0.020 0.000 1.142 248 T CB -0.675 68.221 68.868 0.046 0.000 0.866 248 T HN 0.183 nan 8.240 nan 0.000 0.444 249 V N 2.792 122.638 119.914 -0.114 0.000 2.252 249 V HA -0.238 3.882 4.120 0.000 0.000 0.249 249 V C 2.387 178.376 176.094 -0.174 0.000 1.056 249 V CA 1.724 63.870 62.300 -0.256 0.000 1.022 249 V CB -0.542 30.865 31.823 -0.692 0.000 0.641 249 V HN 0.525 nan 8.190 nan 0.000 0.445 250 N N -0.240 118.395 118.700 -0.108 0.000 2.331 250 N HA -0.075 4.665 4.740 0.000 0.000 0.180 250 N C 1.706 177.247 175.510 0.052 0.000 1.019 250 N CA 1.085 54.139 53.050 0.008 0.000 0.881 250 N CB -0.230 38.315 38.487 0.095 0.000 0.972 250 N HN 0.432 nan 8.380 nan 0.000 0.435 251 L N 1.368 122.609 121.223 0.029 0.000 2.046 251 L HA 0.013 4.354 4.340 0.000 0.000 0.208 251 L C 1.925 178.827 176.870 0.054 0.000 1.077 251 L CA 1.273 56.137 54.840 0.040 0.000 0.747 251 L CB -0.433 41.640 42.059 0.023 0.000 0.896 251 L HN 0.016 nan 8.230 nan 0.000 0.432 252 I N -0.353 120.239 120.570 0.037 0.000 2.202 252 I HA -0.240 3.930 4.170 0.000 0.000 0.242 252 I C 2.590 178.740 176.117 0.056 0.000 1.091 252 I CA 1.139 62.466 61.300 0.044 0.000 1.368 252 I CB -0.639 37.379 38.000 0.031 0.000 1.058 252 I HN 0.370 nan 8.210 nan 0.000 0.410 253 A N 1.035 123.881 122.820 0.043 0.000 1.873 253 A HA -0.182 4.138 4.320 0.000 0.000 0.215 253 A C 2.033 179.689 177.584 0.121 0.000 1.186 253 A CA 1.795 53.866 52.037 0.057 0.000 0.616 253 A CB -0.671 18.337 19.000 0.014 0.000 0.823 253 A HN 0.379 nan 8.150 nan 0.000 0.442 254 N N 0.429 119.231 118.700 0.170 0.000 2.149 254 N HA -0.104 4.636 4.740 0.000 0.000 0.188 254 N C 1.753 177.399 175.510 0.226 0.000 1.019 254 N CA 1.542 54.776 53.050 0.306 0.000 0.857 254 N CB -0.810 37.868 38.487 0.319 0.000 0.997 254 N HN 0.477 nan 8.380 nan 0.000 0.426 255 G N 0.513 109.389 108.800 0.127 0.000 2.403 255 G HA2 -0.153 3.807 3.960 0.000 0.000 0.216 255 G HA3 -0.153 3.807 3.960 0.000 0.000 0.216 255 G C 1.444 176.364 174.900 0.033 0.000 1.154 255 G CA 0.434 45.571 45.100 0.061 0.000 0.784 255 G HN 0.115 nan 8.290 nan 0.000 0.538 256 M N -0.405 119.243 119.600 0.081 0.000 2.200 256 M HA 0.068 4.548 4.480 0.000 0.000 0.265 256 M C 2.293 178.649 176.300 0.094 0.000 1.066 256 M CA 0.550 55.897 55.300 0.078 0.000 1.127 256 M CB -1.045 31.605 32.600 0.084 0.000 1.379 256 M HN 0.400 nan 8.290 nan 0.000 0.420 257 Y N 1.520 121.825 120.300 0.008 0.000 2.145 257 Y HA -0.131 4.419 4.550 0.000 0.000 0.286 257 Y C 2.341 178.239 175.900 -0.003 0.000 1.145 257 Y CA 1.693 59.804 58.100 0.019 0.000 1.148 257 Y CB -0.801 37.695 38.460 0.059 0.000 0.981 257 Y HN 0.172 nan 8.280 nan 0.000 0.507 258 A N 0.511 123.115 122.820 -0.361 0.000 1.884 258 A HA -0.247 4.073 4.320 0.000 0.000 0.219 258 A C 2.241 179.484 177.584 -0.568 0.000 1.197 258 A CA 2.233 53.834 52.037 -0.727 0.000 0.637 258 A CB -1.354 16.948 19.000 -1.162 0.000 0.827 258 A HN 0.499 nan 8.150 nan 0.000 0.450 259 L N -0.554 120.488 121.223 -0.300 0.000 2.056 259 L HA -0.029 4.311 4.340 0.000 0.000 0.207 259 L C 2.406 179.291 176.870 0.024 0.000 1.078 259 L CA 1.459 56.303 54.840 0.007 0.000 0.749 259 L CB -0.629 41.474 42.059 0.074 0.000 0.901 259 L HN 0.416 nan 8.230 nan 0.000 0.433 260 L N -1.135 120.082 121.223 -0.009 0.000 2.201 260 L HA -0.123 4.218 4.340 0.000 0.000 0.212 260 L C 2.114 178.962 176.870 -0.037 0.000 1.105 260 L CA 1.233 56.083 54.840 0.017 0.000 0.775 260 L CB -0.528 41.573 42.059 0.069 0.000 0.913 260 L HN 0.422 nan 8.230 nan 0.000 0.440 261 S N -2.683 112.919 115.700 -0.163 0.000 2.556 261 S HA 0.029 4.499 4.470 0.000 0.000 0.216 261 S C 0.308 174.574 174.600 -0.556 0.000 0.970 261 S CA -0.345 57.665 58.200 -0.316 0.000 0.912 261 S CB -0.211 62.697 63.200 -0.486 0.000 0.790 261 S HN 0.440 nan 8.310 nan 0.000 0.504 262 H N 0.998 120.008 119.070 -0.099 0.000 2.380 262 H HA 0.396 4.952 4.556 0.000 0.000 0.231 262 H C -2.430 172.913 175.328 0.025 0.000 1.415 262 H CA -1.580 54.461 56.048 -0.012 0.000 1.433 262 H CB 0.886 30.694 29.762 0.077 0.000 1.544 262 H HN 0.156 nan 8.280 nan 0.000 0.503 263 P HA -0.246 nan 4.420 nan 0.000 0.217 263 P C 1.454 178.789 177.300 0.058 0.000 1.148 263 P CA 1.596 64.724 63.100 0.047 0.000 0.834 263 P CB 0.405 32.117 31.700 0.019 0.000 0.783 264 D N -1.198 119.239 120.400 0.061 0.000 2.183 264 D HA -0.173 4.467 4.640 0.000 0.000 0.203 264 D C 1.567 177.891 176.300 0.040 0.000 0.969 264 D CA 1.023 55.049 54.000 0.043 0.000 0.842 264 D CB -0.579 40.243 40.800 0.037 0.000 0.957 264 D HN 0.151 nan 8.370 nan 0.000 0.484 265 Q N 0.259 120.103 119.800 0.074 0.000 2.083 265 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 265 Q C 2.486 178.527 176.000 0.068 0.000 0.969 265 Q CA 0.326 56.155 55.803 0.044 0.000 0.838 265 Q CB -0.656 28.124 28.738 0.070 0.000 0.900 265 Q HN 0.300 nan 8.270 nan 0.000 0.436 266 L N 1.085 122.372 121.223 0.107 0.000 2.013 266 L HA -0.178 4.162 4.340 0.000 0.000 0.212 266 L C 2.155 179.055 176.870 0.049 0.000 1.073 266 L CA 2.298 57.187 54.840 0.082 0.000 0.753 266 L CB -1.029 41.077 42.059 0.079 0.000 0.890 266 L HN 0.157 nan 8.230 nan 0.000 0.432 267 A N -0.562 122.282 122.820 0.040 0.000 1.858 267 A HA -0.143 4.178 4.320 0.000 0.000 0.216 267 A C 2.485 180.078 177.584 0.016 0.000 1.190 267 A CA 2.195 54.248 52.037 0.027 0.000 0.617 267 A CB -1.355 17.659 19.000 0.023 0.000 0.827 267 A HN 0.609 nan 8.150 nan 0.000 0.443 268 A N -0.645 122.179 122.820 0.008 0.000 1.917 268 A HA -0.143 4.178 4.320 0.000 0.000 0.219 268 A C 2.150 179.732 177.584 -0.005 0.000 1.182 268 A CA 2.005 54.038 52.037 -0.006 0.000 0.633 268 A CB -0.643 18.341 19.000 -0.026 0.000 0.819 268 A HN 0.745 nan 8.150 nan 0.000 0.448 269 L N -0.290 120.936 121.223 0.004 0.000 2.109 269 L HA -0.058 4.282 4.340 0.000 0.000 0.207 269 L C 2.403 179.281 176.870 0.014 0.000 1.086 269 L CA 1.713 56.557 54.840 0.008 0.000 0.760 269 L CB -0.651 41.423 42.059 0.024 0.000 0.910 269 L HN 0.352 nan 8.230 nan 0.000 0.437 270 R N -0.479 120.032 120.500 0.019 0.000 2.081 270 R HA -0.092 4.248 4.340 0.000 0.000 0.235 270 R C 2.155 178.462 176.300 0.012 0.000 1.131 270 R CA 1.300 57.410 56.100 0.018 0.000 0.960 270 R CB -0.650 29.663 30.300 0.022 0.000 0.856 270 R HN 0.487 nan 8.270 nan 0.000 0.436 271 A N 0.563 123.388 122.820 0.009 0.000 2.015 271 A HA -0.113 4.207 4.320 0.000 0.000 0.219 271 A C 0.460 178.046 177.584 0.003 0.000 1.163 271 A CA 1.065 53.105 52.037 0.005 0.000 0.646 271 A CB 0.174 19.176 19.000 0.003 0.000 0.806 271 A HN 0.198 nan 8.150 nan 0.000 0.448 272 D N -1.284 119.117 120.400 0.001 0.000 2.411 272 D HA 0.257 4.898 4.640 0.000 0.000 0.239 272 D C 0.599 176.900 176.300 0.001 0.000 1.307 272 D CA -0.399 53.600 54.000 -0.000 0.000 0.930 272 D CB 0.156 40.953 40.800 -0.005 0.000 1.395 272 D HN -0.023 nan 8.370 nan 0.000 0.536 273 M N 0.914 120.517 119.600 0.005 0.000 2.706 273 M HA -0.051 4.429 4.480 0.000 0.000 0.251 273 M C 1.802 178.108 176.300 0.009 0.000 1.070 273 M CA 0.844 56.149 55.300 0.009 0.000 1.073 273 M CB -1.376 31.231 32.600 0.011 0.000 1.449 273 M HN 0.466 nan 8.290 nan 0.000 0.531 274 T N -2.640 111.917 114.554 0.005 0.000 3.085 274 T HA 0.026 4.377 4.350 0.000 0.000 0.263 274 T C 1.639 176.341 174.700 0.004 0.000 1.127 274 T CA 0.405 62.508 62.100 0.006 0.000 1.103 274 T CB -0.394 68.477 68.868 0.004 0.000 0.921 274 T HN 0.416 nan 8.240 nan 0.000 0.510 275 L N 0.146 121.368 121.223 -0.002 0.000 2.622 275 L HA 0.232 4.572 4.340 0.000 0.000 0.233 275 L C 2.280 179.148 176.870 -0.003 0.000 1.156 275 L CA 0.144 54.977 54.840 -0.010 0.000 0.866 275 L CB -0.599 41.446 42.059 -0.024 0.000 0.980 275 L HN 0.279 nan 8.230 nan 0.000 0.448 276 L N 0.017 121.247 121.223 0.011 0.000 2.017 276 L HA -0.225 4.115 4.340 0.000 0.000 0.208 276 L C 2.085 178.975 176.870 0.034 0.000 1.073 276 L CA 1.868 56.723 54.840 0.024 0.000 0.745 276 L CB -0.275 41.801 42.059 0.028 0.000 0.894 276 L HN 0.205 nan 8.230 nan 0.000 0.432 277 D N -0.142 120.280 120.400 0.036 0.000 2.104 277 D HA -0.162 4.478 4.640 0.000 0.000 0.194 277 D C 2.115 178.446 176.300 0.051 0.000 0.994 277 D CA 1.484 55.515 54.000 0.052 0.000 0.830 277 D CB -0.731 40.102 40.800 0.055 0.000 0.959 277 D HN 0.540 nan 8.370 nan 0.000 0.452 278 G N 0.758 109.574 108.800 0.027 0.000 2.442 278 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 278 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 278 G C 1.708 176.594 174.900 -0.023 0.000 1.141 278 G CA 1.340 46.443 45.100 0.006 0.000 0.763 278 G HN 0.419 nan 8.290 nan 0.000 0.554 279 A N 0.148 122.956 122.820 -0.021 0.000 1.873 279 A HA 0.099 4.419 4.320 0.000 0.000 0.215 279 A C 2.608 180.224 177.584 0.054 0.000 1.186 279 A CA 1.751 53.775 52.037 -0.022 0.000 0.616 279 A CB -0.668 18.342 19.000 0.016 0.000 0.823 279 A HN 0.257 nan 8.150 nan 0.000 0.442 280 V N 0.574 120.528 119.914 0.067 0.000 2.332 280 V HA -0.262 3.858 4.120 0.000 0.000 0.248 280 V C 2.579 178.706 176.094 0.055 0.000 1.055 280 V CA 2.242 64.590 62.300 0.081 0.000 1.038 280 V CB -0.799 31.079 31.823 0.093 0.000 0.651 280 V HN 0.519 nan 8.190 nan 0.000 0.450 281 E N 0.055 120.290 120.200 0.058 0.000 2.085 281 E HA -0.253 4.097 4.350 0.000 0.000 0.194 281 E C 2.221 178.765 176.600 -0.092 0.000 0.994 281 E CA 1.645 58.066 56.400 0.036 0.000 0.801 281 E CB -0.255 29.526 29.700 0.136 0.000 0.743 281 E HN 0.740 nan 8.360 nan 0.000 0.453 282 E N 0.463 120.630 120.200 -0.055 0.000 2.216 282 E HA -0.062 4.288 4.350 0.000 0.000 0.192 282 E C 1.990 178.650 176.600 0.100 0.000 0.988 282 E CA 0.711 57.063 56.400 -0.081 0.000 0.834 282 E CB -0.139 29.417 29.700 -0.240 0.000 0.772 282 E HN 0.199 nan 8.360 nan 0.000 0.479 283 M N -0.243 119.465 119.600 0.179 0.000 2.159 283 M HA -0.114 4.366 4.480 0.000 0.000 0.263 283 M C 2.080 178.383 176.300 0.006 0.000 1.063 283 M CA 1.241 56.656 55.300 0.192 0.000 1.110 283 M CB -0.293 32.391 32.600 0.140 0.000 1.374 283 M HN 0.136 nan 8.290 nan 0.000 0.411 284 L N -0.436 120.693 121.223 -0.157 0.000 2.017 284 L HA -0.197 4.144 4.340 0.000 0.000 0.208 284 L C 2.889 179.448 176.870 -0.518 0.000 1.073 284 L CA 1.252 55.867 54.840 -0.375 0.000 0.745 284 L CB -0.670 41.014 42.059 -0.624 0.000 0.894 284 L HN 0.314 nan 8.230 nan 0.000 0.432 285 R N -0.507 119.621 120.500 -0.620 0.000 2.066 285 R HA -0.230 4.110 4.340 0.000 0.000 0.232 285 R C 2.406 178.435 176.300 -0.452 0.000 1.131 285 R CA 1.989 57.596 56.100 -0.821 0.000 0.955 285 R CB -0.568 29.323 30.300 -0.681 0.000 0.851 285 R HN 0.331 nan 8.270 nan 0.000 0.432 286 Y N 0.379 120.512 120.300 -0.278 0.000 2.206 286 Y HA -0.003 4.547 4.550 0.000 0.000 0.292 286 Y C 0.464 176.305 175.900 -0.098 0.000 1.123 286 Y CA 1.505 59.516 58.100 -0.148 0.000 1.142 286 Y CB 0.343 38.829 38.460 0.044 0.000 1.006 286 Y HN 0.117 nan 8.280 nan 0.000 0.518 287 E N 0.405 120.578 120.200 -0.046 0.000 4.090 287 E HA 0.265 4.616 4.350 0.000 0.000 0.235 287 E C -0.346 176.278 176.600 0.040 0.000 1.187 287 E CA -0.227 56.145 56.400 -0.047 0.000 1.308 287 E CB -0.029 29.665 29.700 -0.011 0.000 1.222 287 E HN 0.445 nan 8.360 nan 0.000 0.414 288 G N 1.543 110.337 108.800 -0.010 0.000 2.554 288 G HA2 0.074 4.034 3.960 0.000 0.000 0.238 288 G HA3 0.074 4.034 3.960 0.000 0.000 0.238 288 G C -1.271 173.647 174.900 0.031 0.000 1.259 288 G CA -0.854 44.227 45.100 -0.031 0.000 0.843 288 G HN 0.184 nan 8.290 nan 0.000 0.582 289 P HA -0.055 nan 4.420 nan 0.000 0.221 289 P C 0.511 177.840 177.300 0.048 0.000 1.150 289 P CA 0.497 63.637 63.100 0.067 0.000 0.800 289 P CB 0.193 31.921 31.700 0.046 0.000 0.787 290 V N 1.961 121.880 119.914 0.008 0.000 2.339 290 V HA 0.113 4.233 4.120 0.000 0.000 0.261 290 V C 1.910 178.003 176.094 -0.003 0.000 1.058 290 V CA 0.029 62.329 62.300 -0.001 0.000 0.897 290 V CB 0.394 32.205 31.823 -0.020 0.000 1.052 290 V HN 0.048 nan 8.190 nan 0.000 0.480 291 E N 3.370 123.571 120.200 0.001 0.000 2.046 291 E HA -0.043 4.308 4.350 0.000 0.000 0.190 291 E C 0.552 177.099 176.600 -0.088 0.000 0.982 291 E CA 0.821 57.204 56.400 -0.029 0.000 0.800 291 E CB 0.340 30.037 29.700 -0.006 0.000 0.756 291 E HN 0.658 nan 8.360 nan 0.000 0.449 292 S N -0.358 115.307 115.700 -0.057 0.000 2.538 292 S HA 0.640 5.111 4.470 0.000 0.000 0.288 292 S C -0.722 173.853 174.600 -0.041 0.000 1.108 292 S CA -0.617 57.540 58.200 -0.072 0.000 0.971 292 S CB 1.838 65.021 63.200 -0.029 0.000 1.041 292 S HN 0.432 nan 8.310 nan 0.000 0.483 293 A N 2.116 124.901 122.820 -0.058 0.000 2.327 293 A HA 0.618 4.939 4.320 0.000 0.000 0.255 293 A C 0.898 178.469 177.584 -0.022 0.000 1.099 293 A CA -0.304 51.704 52.037 -0.048 0.000 0.801 293 A CB -0.325 18.632 19.000 -0.072 0.000 1.062 293 A HN 0.865 nan 8.150 nan 0.000 0.496 294 T N -1.409 113.121 114.554 -0.041 0.000 2.802 294 T HA 0.346 4.696 4.350 0.000 0.000 0.305 294 T C -0.092 174.598 174.700 -0.016 0.000 1.053 294 T CA -0.188 61.893 62.100 -0.032 0.000 1.058 294 T CB -0.054 68.771 68.868 -0.071 0.000 0.988 294 T HN 0.306 nan 8.240 nan 0.000 0.539 295 Y N 1.287 121.441 120.300 -0.243 0.000 2.712 295 Y HA 0.295 4.845 4.550 0.000 0.000 0.333 295 Y C 1.299 176.686 175.900 -0.854 0.000 1.225 295 Y CA -0.517 57.281 58.100 -0.503 0.000 1.499 295 Y CB -0.144 37.968 38.460 -0.581 0.000 1.288 295 Y HN 0.601 nan 8.280 nan 0.000 0.575 296 R N 2.459 122.554 120.500 -0.676 0.000 2.803 296 R HA 0.651 4.992 4.340 0.000 0.000 0.276 296 R C -1.657 174.178 176.300 -0.775 0.000 0.978 296 R CA -0.780 54.921 56.100 -0.664 0.000 0.939 296 R CB 1.560 31.746 30.300 -0.190 0.000 1.179 296 R HN 0.457 nan 8.270 nan 0.000 0.472 297 F N 1.804 121.713 119.950 -0.067 0.000 2.553 297 F HA 0.359 4.886 4.527 0.000 0.000 0.335 297 F C -2.162 173.522 175.800 -0.193 0.000 1.148 297 F CA -2.534 55.381 58.000 -0.141 0.000 0.963 297 F CB 1.861 40.743 39.000 -0.197 0.000 1.217 297 F HN 0.204 nan 8.300 nan 0.000 0.441 298 P HA -0.034 nan 4.420 nan 0.000 0.265 298 P C 0.874 178.048 177.300 -0.209 0.000 1.193 298 P CA -0.006 62.837 63.100 -0.428 0.000 0.765 298 P CB 1.040 32.432 31.700 -0.513 0.000 0.823 299 V N 0.473 120.265 119.914 -0.203 0.000 3.461 299 V HA 0.091 4.211 4.120 0.000 0.000 0.267 299 V C 0.486 176.509 176.094 -0.118 0.000 1.186 299 V CA 0.945 63.177 62.300 -0.113 0.000 1.154 299 V CB -1.189 30.586 31.823 -0.081 0.000 0.802 299 V HN 0.675 nan 8.190 nan 0.000 0.474 300 E N -0.857 119.243 120.200 -0.167 0.000 2.429 300 E HA 0.453 4.804 4.350 0.000 0.000 0.280 300 E C -3.382 173.106 176.600 -0.187 0.000 1.068 300 E CA -2.222 54.093 56.400 -0.141 0.000 0.837 300 E CB 1.086 30.715 29.700 -0.117 0.000 1.357 300 E HN 0.054 nan 8.360 nan 0.000 0.455 301 P HA 0.096 nan 4.420 nan 0.000 0.265 301 P C -0.919 176.263 177.300 -0.197 0.000 1.193 301 P CA -0.128 62.873 63.100 -0.166 0.000 0.765 301 P CB 0.654 32.288 31.700 -0.110 0.000 0.823 302 V N 3.346 123.110 119.914 -0.249 0.000 2.531 302 V HA 0.247 4.367 4.120 0.000 0.000 0.301 302 V C -0.265 175.732 176.094 -0.162 0.000 1.034 302 V CA -0.437 61.730 62.300 -0.221 0.000 0.865 302 V CB 1.851 33.473 31.823 -0.335 0.000 0.995 302 V HN 0.472 nan 8.190 nan 0.000 0.424 303 D N 5.027 125.367 120.400 -0.099 0.000 2.317 303 D HA 0.425 5.065 4.640 0.000 0.000 0.234 303 D C -0.610 175.662 176.300 -0.047 0.000 1.112 303 D CA -0.124 53.829 54.000 -0.078 0.000 0.840 303 D CB 0.882 41.648 40.800 -0.055 0.000 1.078 303 D HN 0.424 nan 8.370 nan 0.000 0.486 304 L N 4.067 125.256 121.223 -0.057 0.000 2.313 304 L HA 0.300 4.641 4.340 0.000 0.000 0.273 304 L C -0.359 176.496 176.870 -0.024 0.000 1.028 304 L CA -0.831 53.992 54.840 -0.029 0.000 0.871 304 L CB 0.935 42.974 42.059 -0.034 0.000 1.242 304 L HN 0.450 nan 8.230 nan 0.000 0.434 305 D N 3.338 123.732 120.400 -0.011 0.000 2.697 305 D HA -0.196 4.444 4.640 0.000 0.000 0.235 305 D C 1.260 177.556 176.300 -0.007 0.000 1.167 305 D CA 1.528 55.526 54.000 -0.003 0.000 0.656 305 D CB -0.749 40.056 40.800 0.009 0.000 1.025 305 D HN 1.036 nan 8.370 nan 0.000 0.419 306 G N -1.342 107.450 108.800 -0.014 0.000 2.234 306 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 306 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 306 G C 0.558 175.448 174.900 -0.016 0.000 0.987 306 G CA 0.560 45.653 45.100 -0.012 0.000 0.625 306 G HN 0.574 nan 8.290 nan 0.000 0.532 307 T N 1.485 116.022 114.554 -0.029 0.000 2.743 307 T HA 0.512 4.863 4.350 0.000 0.000 0.293 307 T C 0.289 174.922 174.700 -0.111 0.000 0.945 307 T CA -0.198 61.880 62.100 -0.037 0.000 1.030 307 T CB 2.141 70.996 68.868 -0.022 0.000 0.912 307 T HN 0.379 nan 8.240 nan 0.000 0.483 308 V N 6.013 125.865 119.914 -0.104 0.000 2.364 308 V HA 0.340 4.460 4.120 0.000 0.000 0.272 308 V C 0.330 176.238 176.094 -0.310 0.000 1.036 308 V CA -0.680 61.525 62.300 -0.159 0.000 0.880 308 V CB 0.650 32.424 31.823 -0.082 0.000 0.991 308 V HN 0.783 nan 8.190 nan 0.000 0.460 309 I N 8.225 128.510 120.570 -0.476 0.000 2.325 309 I HA 0.304 4.474 4.170 0.000 0.000 0.291 309 I C -2.229 173.670 176.117 -0.362 0.000 1.019 309 I CA -1.853 59.008 61.300 -0.731 0.000 1.302 309 I CB 1.484 38.898 38.000 -0.976 0.000 1.401 309 I HN 0.411 nan 8.210 nan 0.000 0.485 310 P HA 0.101 nan 4.420 nan 0.000 0.271 310 P C -0.391 176.852 177.300 -0.095 0.000 1.216 310 P CA -0.373 62.680 63.100 -0.079 0.000 0.776 310 P CB 0.671 32.392 31.700 0.036 0.000 0.881 311 A N 3.104 125.866 122.820 -0.097 0.000 2.598 311 A HA 0.321 4.641 4.320 0.000 0.000 0.239 311 A C 1.636 179.195 177.584 -0.042 0.000 1.032 311 A CA 1.082 53.066 52.037 -0.089 0.000 0.760 311 A CB -1.593 17.361 19.000 -0.078 0.000 0.946 311 A HN 0.911 nan 8.150 nan 0.000 0.512 312 G N 2.166 110.949 108.800 -0.028 0.000 2.225 312 G HA2 -0.219 3.741 3.960 0.000 0.000 0.254 312 G HA3 -0.219 3.741 3.960 0.000 0.000 0.254 312 G C 0.059 174.995 174.900 0.061 0.000 0.988 312 G CA 0.474 45.566 45.100 -0.014 0.000 0.625 312 G HN 0.883 nan 8.290 nan 0.000 0.527 313 D N 1.052 121.517 120.400 0.109 0.000 2.357 313 D HA 0.490 5.131 4.640 0.000 0.000 0.242 313 D C 0.703 177.164 176.300 0.268 0.000 1.153 313 D CA 0.604 54.730 54.000 0.210 0.000 0.918 313 D CB 0.658 41.662 40.800 0.341 0.000 1.181 313 D HN 0.066 nan 8.370 nan 0.000 0.435 314 T N 0.972 115.665 114.554 0.231 0.000 2.761 314 T HA 0.359 4.709 4.350 0.000 0.000 0.296 314 T C -0.192 174.531 174.700 0.039 0.000 0.934 314 T CA -0.473 61.645 62.100 0.030 0.000 1.091 314 T CB 0.486 69.230 68.868 -0.208 0.000 0.896 314 T HN -0.030 nan 8.240 nan 0.000 0.515 315 V N 5.861 125.725 119.914 -0.084 0.000 2.409 315 V HA 0.415 4.535 4.120 0.000 0.000 0.291 315 V C -0.144 175.885 176.094 -0.108 0.000 1.020 315 V CA -0.849 61.452 62.300 0.002 0.000 0.848 315 V CB 1.477 33.346 31.823 0.077 0.000 0.990 315 V HN 0.734 nan 8.190 nan 0.000 0.430 316 L N 5.322 126.513 121.223 -0.053 0.000 2.276 316 L HA 0.483 4.823 4.340 0.000 0.000 0.286 316 L C -0.301 176.521 176.870 -0.081 0.000 1.024 316 L CA -0.748 54.058 54.840 -0.056 0.000 0.826 316 L CB 1.783 43.832 42.059 -0.017 0.000 1.211 316 L HN 0.378 nan 8.230 nan 0.000 0.422 317 V N 4.758 124.597 119.914 -0.124 0.000 2.439 317 V HA 0.022 4.142 4.120 0.000 0.000 0.271 317 V C 0.530 176.526 176.094 -0.164 0.000 1.040 317 V CA -0.335 61.871 62.300 -0.157 0.000 1.002 317 V CB 1.264 32.978 31.823 -0.182 0.000 1.000 317 V HN 0.423 nan 8.190 nan 0.000 0.477 318 V N 7.537 127.329 119.914 -0.203 0.000 2.313 318 V HA 0.135 4.255 4.120 0.000 0.000 0.252 318 V C 1.324 177.249 176.094 -0.281 0.000 1.112 318 V CA -0.074 62.044 62.300 -0.304 0.000 0.984 318 V CB 0.189 31.700 31.823 -0.521 0.000 1.157 318 V HN 0.772 nan 8.190 nan 0.000 0.493 319 L N 3.127 124.199 121.223 -0.251 0.000 2.079 319 L HA -0.177 4.163 4.340 0.000 0.000 0.210 319 L C 2.689 179.341 176.870 -0.363 0.000 1.081 319 L CA 1.763 56.404 54.840 -0.332 0.000 0.752 319 L CB -0.626 41.282 42.059 -0.252 0.000 0.896 319 L HN 0.683 nan 8.230 nan 0.000 0.433 320 A N 0.272 122.988 122.820 -0.174 0.000 1.908 320 A HA -0.313 4.008 4.320 0.000 0.000 0.218 320 A C 1.988 179.647 177.584 0.126 0.000 1.181 320 A CA 2.364 54.437 52.037 0.060 0.000 0.627 320 A CB -0.674 18.391 19.000 0.109 0.000 0.818 320 A HN 0.483 nan 8.150 nan 0.000 0.445 321 D N -0.837 119.553 120.400 -0.017 0.000 2.123 321 D HA 0.076 4.717 4.640 0.000 0.000 0.200 321 D C 2.061 178.420 176.300 0.099 0.000 0.976 321 D CA 1.282 55.335 54.000 0.088 0.000 0.831 321 D CB -0.185 40.617 40.800 0.003 0.000 0.974 321 D HN 0.331 nan 8.370 nan 0.000 0.469 322 A N -0.292 122.534 122.820 0.010 0.000 1.917 322 A HA -0.249 4.071 4.320 0.000 0.000 0.219 322 A C 1.873 179.677 177.584 0.366 0.000 1.182 322 A CA 1.831 53.955 52.037 0.145 0.000 0.633 322 A CB -1.187 17.777 19.000 -0.060 0.000 0.819 322 A HN 0.528 nan 8.150 nan 0.000 0.448 323 H N -1.740 117.444 119.070 0.190 0.000 2.546 323 H HA 0.076 4.633 4.556 0.000 0.000 0.277 323 H C 1.107 176.410 175.328 -0.041 0.000 1.004 323 H CA 0.284 56.316 56.048 -0.027 0.000 1.231 323 H CB 0.306 29.963 29.762 -0.175 0.000 1.382 323 H HN 0.206 nan 8.280 nan 0.000 0.580 324 R N 0.469 121.070 120.500 0.168 0.000 2.507 324 R HA 0.129 4.470 4.340 0.000 0.000 0.298 324 R C -0.107 176.252 176.300 0.098 0.000 0.999 324 R CA -0.009 56.123 56.100 0.053 0.000 1.082 324 R CB -0.058 30.272 30.300 0.050 0.000 1.246 324 R HN 0.030 nan 8.270 nan 0.000 0.553 325 T N 4.219 118.898 114.554 0.209 0.000 2.738 325 T HA 0.100 4.451 4.350 0.000 0.000 0.293 325 T C -1.482 173.279 174.700 0.101 0.000 0.913 325 T CA -1.101 61.097 62.100 0.164 0.000 1.103 325 T CB 1.504 70.499 68.868 0.212 0.000 0.880 325 T HN 0.058 nan 8.240 nan 0.000 0.526 326 P HA -0.041 nan 4.420 nan 0.000 0.221 326 P C 0.960 178.245 177.300 -0.024 0.000 1.150 326 P CA 0.874 63.979 63.100 0.008 0.000 0.800 326 P CB 0.399 32.100 31.700 0.003 0.000 0.787 327 E N -0.400 119.781 120.200 -0.031 0.000 2.204 327 E HA -0.171 4.179 4.350 0.000 0.000 0.195 327 E C 2.212 178.707 176.600 -0.174 0.000 0.990 327 E CA 1.007 57.362 56.400 -0.074 0.000 0.821 327 E CB -0.430 29.242 29.700 -0.046 0.000 0.750 327 E HN 0.056 nan 8.360 nan 0.000 0.477 328 R N -0.615 119.729 120.500 -0.260 0.000 2.105 328 R HA 0.171 4.511 4.340 0.000 0.000 0.214 328 R C -0.326 175.517 176.300 -0.761 0.000 1.091 328 R CA 0.678 56.403 56.100 -0.625 0.000 1.007 328 R CB 0.280 29.988 30.300 -0.986 0.000 0.912 328 R HN 0.068 nan 8.270 nan 0.000 0.450 329 F N 1.679 121.543 119.950 -0.144 0.000 2.564 329 F HA 0.452 4.979 4.527 0.000 0.000 0.368 329 F C -2.119 173.624 175.800 -0.094 0.000 1.127 329 F CA -2.707 55.228 58.000 -0.108 0.000 1.170 329 F CB 1.703 40.658 39.000 -0.076 0.000 1.397 329 F HN -0.128 nan 8.300 nan 0.000 0.493 330 P HA -0.032 nan 4.420 nan 0.000 0.266 330 P C -0.051 177.251 177.300 0.003 0.000 1.195 330 P CA 0.486 63.584 63.100 -0.004 0.000 0.768 330 P CB 0.489 32.176 31.700 -0.022 0.000 0.838 331 D N 2.953 123.345 120.400 -0.014 0.000 2.737 331 D HA -0.131 4.509 4.640 0.000 0.000 0.238 331 D C -1.234 175.035 176.300 -0.052 0.000 1.157 331 D CA 0.211 54.201 54.000 -0.017 0.000 0.694 331 D CB -0.505 40.295 40.800 -0.001 0.000 1.021 331 D HN 0.268 nan 8.370 nan 0.000 0.420 332 P HA -0.151 nan 4.420 nan 0.000 0.220 332 P C 1.046 178.222 177.300 -0.206 0.000 1.148 332 P CA 1.084 64.066 63.100 -0.197 0.000 0.803 332 P CB 0.028 31.539 31.700 -0.314 0.000 0.782 333 H N -1.245 117.864 119.070 0.065 0.000 2.539 333 H HA 0.132 4.689 4.556 0.000 0.000 0.267 333 H C 1.092 176.522 175.328 0.170 0.000 0.982 333 H CA 0.119 56.229 56.048 0.102 0.000 1.146 333 H CB -0.066 29.728 29.762 0.054 0.000 1.382 333 H HN 0.157 nan 8.280 nan 0.000 0.577 334 R N 1.046 121.622 120.500 0.128 0.000 2.267 334 R HA 0.051 4.391 4.340 0.000 0.000 0.319 334 R C -0.900 175.311 176.300 -0.149 0.000 1.067 334 R CA -0.511 55.593 56.100 0.007 0.000 0.936 334 R CB 0.033 30.319 30.300 -0.022 0.000 1.006 334 R HN -0.090 nan 8.270 nan 0.000 0.452 335 F N 5.296 124.844 119.950 -0.670 0.000 2.434 335 F HA 0.191 4.718 4.527 0.000 0.000 0.358 335 F C -0.792 174.691 175.800 -0.529 0.000 1.136 335 F CA -0.556 56.859 58.000 -0.976 0.000 1.157 335 F CB 0.554 38.464 39.000 -1.817 0.000 1.167 335 F HN 0.494 nan 8.300 nan 0.000 0.539 336 D N 6.686 126.624 120.400 -0.770 0.000 2.469 336 D HA 0.143 4.783 4.640 0.000 0.000 0.251 336 D C 0.850 176.782 176.300 -0.612 0.000 1.173 336 D CA -0.493 53.158 54.000 -0.582 0.000 0.882 336 D CB 0.693 41.317 40.800 -0.294 0.000 1.129 336 D HN 0.598 nan 8.370 nan 0.000 0.549 337 I N 0.741 120.917 120.570 -0.655 0.000 3.001 337 I HA 0.075 4.246 4.170 0.000 0.000 0.268 337 I C 1.232 177.199 176.117 -0.251 0.000 1.267 337 I CA 0.463 61.470 61.300 -0.489 0.000 1.472 337 I CB 0.118 37.885 38.000 -0.389 0.000 1.089 337 I HN 0.071 nan 8.210 nan 0.000 0.468 338 R N 1.233 121.607 120.500 -0.210 0.000 2.393 338 R HA 0.245 4.585 4.340 0.000 0.000 0.244 338 R C 0.840 177.082 176.300 -0.097 0.000 0.920 338 R CA -0.406 55.620 56.100 -0.122 0.000 1.076 338 R CB 0.076 30.317 30.300 -0.099 0.000 1.119 338 R HN 0.378 nan 8.270 nan 0.000 0.524 339 R N 1.717 122.145 120.500 -0.121 0.000 2.811 339 R HA -0.073 4.267 4.340 0.000 0.000 0.265 339 R C -0.465 175.828 176.300 -0.013 0.000 1.026 339 R CA 0.098 56.159 56.100 -0.065 0.000 1.142 339 R CB 0.409 30.661 30.300 -0.080 0.000 1.027 339 R HN -0.184 nan 8.270 nan 0.000 0.465 340 D N 1.729 122.142 120.400 0.021 0.000 2.344 340 D HA 0.008 4.648 4.640 0.000 0.000 0.253 340 D C 0.363 176.748 176.300 0.140 0.000 1.255 340 D CA 0.017 54.046 54.000 0.048 0.000 0.894 340 D CB 1.105 41.913 40.800 0.014 0.000 1.067 340 D HN 0.604 nan 8.370 nan 0.000 0.492 341 T N 0.713 115.366 114.554 0.165 0.000 3.069 341 T HA 0.378 4.729 4.350 0.000 0.000 0.252 341 T C 0.915 175.829 174.700 0.358 0.000 1.053 341 T CA -0.234 62.039 62.100 0.290 0.000 0.964 341 T CB 0.096 69.089 68.868 0.209 0.000 1.005 341 T HN 0.389 nan 8.240 nan 0.000 0.532 342 A N 0.904 123.844 122.820 0.200 0.000 2.567 342 A HA 0.497 4.817 4.320 0.000 0.000 0.240 342 A C 1.704 179.371 177.584 0.138 0.000 1.053 342 A CA 0.396 52.505 52.037 0.121 0.000 0.755 342 A CB -1.102 17.928 19.000 0.050 0.000 0.978 342 A HN 1.516 nan 8.150 nan 0.000 0.507 343 G N 1.622 110.484 108.800 0.103 0.000 2.157 343 G HA2 -0.245 3.715 3.960 0.000 0.000 0.248 343 G HA3 -0.245 3.715 3.960 0.000 0.000 0.248 343 G C 0.306 175.461 174.900 0.425 0.000 0.979 343 G CA 0.457 45.660 45.100 0.173 0.000 0.650 343 G HN 1.925 nan 8.290 nan 0.000 0.529 344 H N -0.276 119.082 119.070 0.481 0.000 2.895 344 H HA 0.345 4.902 4.556 0.000 0.000 0.371 344 H C 0.932 176.572 175.328 0.520 0.000 1.219 344 H CA 0.329 56.684 56.048 0.512 0.000 1.431 344 H CB 0.678 30.459 29.762 0.033 0.000 1.414 344 H HN 0.175 nan 8.280 nan 0.000 0.617 345 L N 1.720 123.497 121.223 0.924 0.000 2.769 345 L HA 0.190 4.530 4.340 0.000 0.000 0.240 345 L C 2.299 179.425 176.870 0.427 0.000 1.163 345 L CA 0.301 55.433 54.840 0.486 0.000 0.962 345 L CB 0.029 42.165 42.059 0.128 0.000 1.258 345 L HN 0.757 nan 8.230 nan 0.000 0.513 346 A N 0.133 123.293 122.820 0.567 0.000 2.070 346 A HA -0.069 4.251 4.320 0.000 0.000 0.220 346 A C 1.599 179.114 177.584 -0.114 0.000 1.159 346 A CA 1.307 53.418 52.037 0.123 0.000 0.656 346 A CB -0.446 18.410 19.000 -0.241 0.000 0.800 346 A HN 0.443 nan 8.150 nan 0.000 0.453 347 F N -0.673 119.366 119.950 0.148 0.000 2.639 347 F HA 0.414 4.941 4.527 0.000 0.000 0.300 347 F C 1.559 177.208 175.800 -0.252 0.000 1.109 347 F CA 0.300 58.175 58.000 -0.209 0.000 1.335 347 F CB 0.227 38.884 39.000 -0.571 0.000 1.014 347 F HN 0.463 nan 8.300 nan 0.000 0.537 348 G N 0.778 109.693 108.800 0.192 0.000 2.584 348 G HA2 -0.185 3.775 3.960 0.000 0.000 0.229 348 G HA3 -0.185 3.775 3.960 0.000 0.000 0.229 348 G C -1.316 173.900 174.900 0.527 0.000 1.320 348 G CA -0.277 44.968 45.100 0.242 0.000 0.891 348 G HN 0.588 nan 8.290 nan 0.000 0.573 349 H N -0.808 118.474 119.070 0.353 0.000 3.153 349 H HA 0.666 5.223 4.556 0.000 0.000 0.323 349 H C 0.381 175.810 175.328 0.168 0.000 1.096 349 H CA 1.899 58.111 56.048 0.274 0.000 1.385 349 H CB 0.923 30.754 29.762 0.116 0.000 2.027 349 H HN 2.722 nan 8.280 nan 0.000 0.499 350 G N 2.579 111.080 108.800 -0.498 0.000 2.472 350 G HA2 -0.192 3.769 3.960 0.000 0.000 0.205 350 G HA3 -0.192 3.769 3.960 0.000 0.000 0.205 350 G C 1.239 176.052 174.900 -0.147 0.000 1.270 350 G CA 0.048 44.900 45.100 -0.413 0.000 0.974 350 G HN 1.288 nan 8.290 nan 0.000 0.542 351 I N -2.506 117.950 120.570 -0.190 0.000 2.567 351 I HA 0.014 4.184 4.170 0.000 0.000 0.257 351 I C 1.648 177.572 176.117 -0.321 0.000 1.184 351 I CA 1.949 63.091 61.300 -0.262 0.000 1.451 351 I CB -0.314 37.419 38.000 -0.445 0.000 1.089 351 I HN 0.472 nan 8.210 nan 0.000 0.441 352 H N 0.548 119.581 119.070 -0.063 0.000 2.517 352 H HA 0.204 4.760 4.556 0.000 0.000 0.282 352 H C 0.104 175.495 175.328 0.105 0.000 1.023 352 H CA -0.518 55.545 56.048 0.025 0.000 1.169 352 H CB -0.214 29.522 29.762 -0.044 0.000 1.454 352 H HN 0.321 nan 8.280 nan 0.000 0.556 353 F N 2.179 122.169 119.950 0.066 0.000 2.623 353 F HA -0.109 4.419 4.527 0.000 0.000 0.386 353 F C 0.915 176.757 175.800 0.070 0.000 1.068 353 F CA -0.412 57.637 58.000 0.083 0.000 1.265 353 F CB 0.331 39.360 39.000 0.050 0.000 1.026 353 F HN 0.145 nan 8.300 nan 0.000 0.568 354 C N 8.982 127.930 119.300 -0.588 0.000 2.271 354 C HA -0.096 4.364 4.460 0.000 0.000 0.397 354 C C 1.977 176.775 174.990 -0.320 0.000 1.533 354 C CA 0.006 58.780 59.018 -0.406 0.000 1.433 354 C CB -1.929 25.564 27.740 -0.412 0.000 2.511 354 C HN 0.959 nan 8.230 nan 0.000 0.610 355 I N 4.668 125.115 120.570 -0.206 0.000 2.928 355 I HA 0.079 4.250 4.170 0.000 0.000 0.266 355 I C 1.977 177.906 176.117 -0.313 0.000 1.234 355 I CA 1.527 62.701 61.300 -0.210 0.000 1.483 355 I CB -0.103 37.758 38.000 -0.233 0.000 1.097 355 I HN 0.910 nan 8.210 nan 0.000 0.455 356 G N -0.350 108.229 108.800 -0.368 0.000 3.233 356 G HA2 0.155 4.115 3.960 0.000 0.000 0.227 356 G HA3 0.155 4.115 3.960 0.000 0.000 0.227 356 G C 1.469 176.228 174.900 -0.235 0.000 1.175 356 G CA 0.472 45.397 45.100 -0.292 0.000 0.781 356 G HN 0.454 nan 8.290 nan 0.000 0.542 357 A N 1.794 124.350 122.820 -0.440 0.000 1.902 357 A HA 0.086 4.407 4.320 0.000 0.000 0.217 357 A C 0.575 177.949 177.584 -0.349 0.000 1.181 357 A CA 1.378 52.908 52.037 -0.845 0.000 0.623 357 A CB -0.799 17.383 19.000 -1.363 0.000 0.818 357 A HN 0.324 nan 8.150 nan 0.000 0.443 358 P HA -0.119 nan 4.420 nan 0.000 0.216 358 P C 1.657 178.974 177.300 0.028 0.000 1.153 358 P CA 0.775 63.864 63.100 -0.017 0.000 0.848 358 P CB -0.018 31.701 31.700 0.032 0.000 0.787 359 L N -0.316 120.940 121.223 0.055 0.000 2.027 359 L HA -0.034 4.306 4.340 0.000 0.000 0.206 359 L C 2.219 179.136 176.870 0.077 0.000 1.074 359 L CA 1.944 56.837 54.840 0.088 0.000 0.745 359 L CB -1.558 40.594 42.059 0.156 0.000 0.898 359 L HN -0.137 nan 8.230 nan 0.000 0.433 360 A N -0.286 122.576 122.820 0.070 0.000 1.917 360 A HA -0.270 4.050 4.320 0.000 0.000 0.219 360 A C 2.450 180.125 177.584 0.153 0.000 1.182 360 A CA 2.125 54.241 52.037 0.132 0.000 0.633 360 A CB -0.608 18.535 19.000 0.238 0.000 0.819 360 A HN 0.518 nan 8.150 nan 0.000 0.448 361 R N -1.367 119.223 120.500 0.151 0.000 2.075 361 R HA -0.067 4.273 4.340 0.000 0.000 0.232 361 R C 2.177 178.539 176.300 0.105 0.000 1.126 361 R CA 1.351 57.545 56.100 0.156 0.000 0.963 361 R CB -0.515 29.877 30.300 0.152 0.000 0.858 361 R HN 0.514 nan 8.270 nan 0.000 0.435 362 L N 1.593 122.865 121.223 0.081 0.000 2.012 362 L HA -0.186 4.154 4.340 0.000 0.000 0.210 362 L C 1.793 178.701 176.870 0.063 0.000 1.073 362 L CA 1.879 56.758 54.840 0.064 0.000 0.748 362 L CB -0.284 41.807 42.059 0.054 0.000 0.891 362 L HN 0.135 nan 8.230 nan 0.000 0.431 363 E N -0.422 119.819 120.200 0.070 0.000 2.051 363 E HA -0.225 4.125 4.350 0.000 0.000 0.192 363 E C 2.170 178.808 176.600 0.064 0.000 0.991 363 E CA 1.172 57.610 56.400 0.063 0.000 0.799 363 E CB -0.372 29.369 29.700 0.068 0.000 0.748 363 E HN 0.671 nan 8.360 nan 0.000 0.449 364 A N 1.403 124.270 122.820 0.078 0.000 1.902 364 A HA -0.195 4.125 4.320 0.000 0.000 0.217 364 A C 2.076 179.700 177.584 0.067 0.000 1.181 364 A CA 1.389 53.471 52.037 0.075 0.000 0.623 364 A CB -0.365 18.691 19.000 0.093 0.000 0.818 364 A HN 0.069 nan 8.150 nan 0.000 0.443 365 R N -0.603 119.939 120.500 0.069 0.000 2.075 365 R HA 0.055 4.395 4.340 0.000 0.000 0.232 365 R C 1.983 178.310 176.300 0.046 0.000 1.126 365 R CA 1.444 57.580 56.100 0.060 0.000 0.963 365 R CB -0.400 29.936 30.300 0.061 0.000 0.858 365 R HN 0.560 nan 8.270 nan 0.000 0.435 366 I N 0.457 121.052 120.570 0.042 0.000 2.252 366 I HA -0.231 3.939 4.170 0.000 0.000 0.245 366 I C 2.542 178.674 176.117 0.025 0.000 1.102 366 I CA 1.170 62.488 61.300 0.031 0.000 1.385 366 I CB -0.392 37.626 38.000 0.029 0.000 1.064 366 I HN 0.199 nan 8.210 nan 0.000 0.414 367 A N 0.328 123.166 122.820 0.031 0.000 1.933 367 A HA -0.136 4.184 4.320 0.000 0.000 0.218 367 A C 2.433 180.032 177.584 0.024 0.000 1.175 367 A CA 1.586 53.638 52.037 0.025 0.000 0.628 367 A CB -0.850 18.170 19.000 0.033 0.000 0.814 367 A HN 0.242 nan 8.150 nan 0.000 0.444 368 V N -0.185 119.750 119.914 0.035 0.000 2.323 368 V HA -0.207 3.913 4.120 0.000 0.000 0.244 368 V C 2.642 178.752 176.094 0.028 0.000 1.041 368 V CA 2.172 64.495 62.300 0.039 0.000 1.025 368 V CB -0.717 31.138 31.823 0.054 0.000 0.656 368 V HN 0.687 nan 8.190 nan 0.000 0.451 369 R N 0.285 120.800 120.500 0.025 0.000 2.081 369 R HA -0.168 4.172 4.340 0.000 0.000 0.235 369 R C 2.257 178.559 176.300 0.003 0.000 1.131 369 R CA 1.758 57.868 56.100 0.017 0.000 0.960 369 R CB -0.456 29.855 30.300 0.018 0.000 0.856 369 R HN 0.477 nan 8.270 nan 0.000 0.436 370 A N 0.997 123.815 122.820 -0.004 0.000 1.902 370 A HA -0.120 4.200 4.320 0.000 0.000 0.217 370 A C 2.191 179.750 177.584 -0.042 0.000 1.181 370 A CA 1.215 53.238 52.037 -0.023 0.000 0.623 370 A CB -0.513 18.472 19.000 -0.024 0.000 0.818 370 A HN 0.348 nan 8.150 nan 0.000 0.443 371 L N -0.559 120.645 121.223 -0.033 0.000 1.994 371 L HA -0.186 4.154 4.340 0.000 0.000 0.208 371 L C 2.591 179.443 176.870 -0.030 0.000 1.071 371 L CA 1.237 56.050 54.840 -0.044 0.000 0.745 371 L CB -0.574 41.478 42.059 -0.012 0.000 0.892 371 L HN 0.378 nan 8.230 nan 0.000 0.431 372 L N -0.689 120.533 121.223 -0.003 0.000 2.093 372 L HA -0.178 4.162 4.340 0.000 0.000 0.208 372 L C 2.415 179.284 176.870 -0.002 0.000 1.085 372 L CA 1.309 56.155 54.840 0.009 0.000 0.755 372 L CB -0.570 41.502 42.059 0.022 0.000 0.904 372 L HN 0.337 nan 8.230 nan 0.000 0.435 373 E N -0.024 120.169 120.200 -0.012 0.000 2.208 373 E HA -0.109 4.241 4.350 0.000 0.000 0.193 373 E C 1.912 178.494 176.600 -0.030 0.000 0.988 373 E CA 0.641 57.032 56.400 -0.014 0.000 0.828 373 E CB 0.197 29.890 29.700 -0.012 0.000 0.763 373 E HN 0.420 nan 8.360 nan 0.000 0.478 374 R N -0.766 119.699 120.500 -0.058 0.000 2.437 374 R HA 0.212 4.552 4.340 0.000 0.000 0.257 374 R C -0.210 176.003 176.300 -0.145 0.000 0.927 374 R CA -0.123 55.921 56.100 -0.093 0.000 1.078 374 R CB 0.897 31.128 30.300 -0.115 0.000 1.161 374 R HN -0.005 nan 8.270 nan 0.000 0.529 375 C N 2.934 122.165 119.300 -0.115 0.000 2.294 375 C HA 0.385 4.845 4.460 0.000 0.000 0.319 375 C C -2.400 172.615 174.990 0.042 0.000 1.164 375 C CA -2.078 56.874 59.018 -0.109 0.000 1.497 375 C CB 0.799 28.465 27.740 -0.124 0.000 2.061 375 C HN 0.128 nan 8.230 nan 0.000 0.438 376 P HA 0.221 nan 4.420 nan 0.000 0.276 376 P C -0.032 177.357 177.300 0.148 0.000 1.235 376 P CA 0.739 63.900 63.100 0.102 0.000 0.772 376 P CB 0.373 32.132 31.700 0.098 0.000 0.871 377 D N -0.362 120.101 120.400 0.106 0.000 2.870 377 D HA -0.166 4.474 4.640 0.000 0.000 0.228 377 D C 0.084 176.465 176.300 0.135 0.000 1.147 377 D CA 0.465 54.525 54.000 0.100 0.000 0.757 377 D CB -1.294 39.556 40.800 0.084 0.000 1.091 377 D HN 0.291 nan 8.370 nan 0.000 0.429 378 L N 0.280 121.595 121.223 0.153 0.000 2.578 378 L HA 0.307 4.648 4.340 0.000 0.000 0.279 378 L C 0.328 177.274 176.870 0.128 0.000 1.227 378 L CA 0.664 55.614 54.840 0.183 0.000 0.900 378 L CB 0.460 42.600 42.059 0.136 0.000 1.144 378 L HN 0.242 nan 8.230 nan 0.000 0.496 379 A N 5.376 128.273 122.820 0.128 0.000 2.556 379 A HA 0.532 4.853 4.320 0.000 0.000 0.294 379 A C -1.038 176.595 177.584 0.081 0.000 1.091 379 A CA -0.793 51.293 52.037 0.082 0.000 0.704 379 A CB 0.878 19.907 19.000 0.050 0.000 1.300 379 A HN 0.734 nan 8.150 nan 0.000 0.406 380 L N 0.640 121.904 121.223 0.069 0.000 2.426 380 L HA 0.171 4.511 4.340 0.000 0.000 0.271 380 L C 0.145 177.035 176.870 0.034 0.000 1.169 380 L CA 0.346 55.226 54.840 0.067 0.000 0.836 380 L CB 1.022 43.133 42.059 0.087 0.000 1.112 380 L HN 0.978 nan 8.230 nan 0.000 0.465 381 D N 1.748 122.157 120.400 0.015 0.000 2.479 381 D HA 0.180 4.821 4.640 0.000 0.000 0.218 381 D C -0.474 175.812 176.300 -0.024 0.000 1.177 381 D CA 0.055 54.047 54.000 -0.013 0.000 0.830 381 D CB 0.508 41.290 40.800 -0.030 0.000 1.014 381 D HN 0.207 nan 8.370 nan 0.000 0.503 382 V N -2.369 117.536 119.914 -0.016 0.000 3.181 382 V HA 0.712 4.832 4.120 0.000 0.000 0.308 382 V C 0.039 176.133 176.094 -0.000 0.000 1.214 382 V CA -0.854 61.433 62.300 -0.022 0.000 1.053 382 V CB 1.189 32.984 31.823 -0.047 0.000 1.069 382 V HN 0.052 nan 8.190 nan 0.000 0.441 383 S N 0.249 115.950 115.700 0.001 0.000 2.592 383 S HA 0.497 4.967 4.470 0.000 0.000 0.271 383 S C -1.711 172.913 174.600 0.040 0.000 1.326 383 S CA -0.680 57.535 58.200 0.024 0.000 1.024 383 S CB 0.984 64.194 63.200 0.018 0.000 0.921 383 S HN 0.699 nan 8.310 nan 0.000 0.527 384 P HA -0.026 nan 4.420 nan 0.000 0.216 384 P C 1.750 179.112 177.300 0.104 0.000 1.153 384 P CA 1.758 64.960 63.100 0.171 0.000 0.858 384 P CB -0.544 31.317 31.700 0.268 0.000 0.789 385 G N -0.156 108.694 108.800 0.083 0.000 2.499 385 G HA2 -0.258 3.702 3.960 0.000 0.000 0.221 385 G HA3 -0.258 3.702 3.960 0.000 0.000 0.221 385 G C 1.214 176.129 174.900 0.025 0.000 1.109 385 G CA 0.649 45.785 45.100 0.060 0.000 0.749 385 G HN 0.355 nan 8.290 nan 0.000 0.568 386 E N -0.618 119.578 120.200 -0.006 0.000 2.479 386 E HA 0.243 4.593 4.350 0.000 0.000 0.193 386 E C 0.550 177.091 176.600 -0.098 0.000 1.049 386 E CA -0.510 55.865 56.400 -0.042 0.000 0.870 386 E CB 0.279 29.952 29.700 -0.045 0.000 0.944 386 E HN 0.325 nan 8.360 nan 0.000 0.492 387 L N 1.378 122.519 121.223 -0.137 0.000 2.452 387 L HA 0.172 4.512 4.340 0.000 0.000 0.267 387 L C -0.008 176.680 176.870 -0.304 0.000 1.188 387 L CA -0.402 54.251 54.840 -0.312 0.000 0.821 387 L CB 0.995 42.745 42.059 -0.517 0.000 1.102 387 L HN -0.046 nan 8.230 nan 0.000 0.470 388 V N 1.843 121.507 119.914 -0.418 0.000 2.444 388 V HA 0.403 4.524 4.120 0.000 0.000 0.294 388 V C -1.167 174.644 176.094 -0.471 0.000 1.022 388 V CA -0.446 61.660 62.300 -0.323 0.000 0.850 388 V CB 1.226 32.915 31.823 -0.223 0.000 0.992 388 V HN 0.614 nan 8.190 nan 0.000 0.426 389 W N 4.612 125.791 121.300 -0.201 0.000 2.376 389 W HA 0.567 5.227 4.660 0.000 0.000 0.322 389 W C -0.076 176.336 176.519 -0.178 0.000 1.160 389 W CA -0.458 56.790 57.345 -0.163 0.000 1.218 389 W CB 0.535 29.944 29.460 -0.086 0.000 1.205 389 W HN 0.596 nan 8.180 nan 0.000 0.559 390 Y N 3.576 123.942 120.300 0.110 0.000 2.712 390 Y HA -0.075 4.475 4.550 0.000 0.000 0.333 390 Y C -0.887 175.122 175.900 0.182 0.000 1.225 390 Y CA -0.661 57.474 58.100 0.059 0.000 1.499 390 Y CB 0.001 38.385 38.460 -0.126 0.000 1.288 390 Y HN 0.314 nan 8.280 nan 0.000 0.575 391 P HA -0.181 nan 4.420 nan 0.000 0.221 391 P C -0.030 177.447 177.300 0.295 0.000 1.145 391 P CA 1.003 64.263 63.100 0.266 0.000 0.795 391 P CB 0.086 31.920 31.700 0.224 0.000 0.775 392 N N 0.862 119.782 118.700 0.367 0.000 2.294 392 N HA -0.081 4.660 4.740 0.000 0.000 0.263 392 N C -1.460 174.203 175.510 0.255 0.000 1.281 392 N CA -0.393 52.846 53.050 0.316 0.000 0.846 392 N CB 0.467 39.187 38.487 0.388 0.000 1.061 392 N HN 0.125 nan 8.380 nan 0.000 0.478 393 P HA 0.047 nan 4.420 nan 0.000 0.261 393 P C 1.171 178.570 177.300 0.164 0.000 1.268 393 P CA 0.368 63.613 63.100 0.242 0.000 0.833 393 P CB 0.447 32.364 31.700 0.361 0.000 1.231 394 M N -0.812 118.862 119.600 0.124 0.000 2.394 394 M HA 0.128 4.608 4.480 0.000 0.000 0.266 394 M C 0.006 176.332 176.300 0.043 0.000 1.098 394 M CA 1.018 56.357 55.300 0.064 0.000 1.149 394 M CB 0.472 33.094 32.600 0.035 0.000 1.369 394 M HN -0.253 nan 8.290 nan 0.000 0.450 395 I N 0.910 121.528 120.570 0.080 0.000 2.436 395 I HA 0.290 4.460 4.170 0.000 0.000 0.289 395 I C -0.403 175.866 176.117 0.252 0.000 1.010 395 I CA -0.500 60.867 61.300 0.112 0.000 1.098 395 I CB 1.692 39.688 38.000 -0.008 0.000 1.266 395 I HN 0.070 nan 8.210 nan 0.000 0.434 396 R N 4.118 124.751 120.500 0.223 0.000 2.204 396 R HA 0.680 5.021 4.340 0.000 0.000 0.341 396 R C -0.441 176.133 176.300 0.457 0.000 1.035 396 R CA -0.191 56.070 56.100 0.269 0.000 0.887 396 R CB 0.775 31.142 30.300 0.111 0.000 1.114 396 R HN 0.868 nan 8.270 nan 0.000 0.473 397 G N 3.301 112.479 108.800 0.630 0.000 2.718 397 G HA2 0.428 4.388 3.960 0.000 0.000 0.295 397 G HA3 0.428 4.388 3.960 0.000 0.000 0.295 397 G C -1.582 173.538 174.900 0.365 0.000 1.421 397 G CA -0.782 44.634 45.100 0.526 0.000 0.902 397 G HN 0.436 nan 8.290 nan 0.000 0.501 398 L N 1.087 122.280 121.223 -0.050 0.000 2.343 398 L HA 0.413 4.753 4.340 0.000 0.000 0.275 398 L C 1.522 178.237 176.870 -0.257 0.000 1.056 398 L CA -0.878 53.676 54.840 -0.476 0.000 0.804 398 L CB 1.920 43.559 42.059 -0.701 0.000 1.203 398 L HN 0.580 nan 8.230 nan 0.000 0.440 399 K N 1.493 121.618 120.400 -0.458 0.000 2.167 399 K HA 0.217 4.537 4.320 0.000 0.000 0.203 399 K C 0.134 176.639 176.600 -0.159 0.000 1.052 399 K CA 0.602 56.652 56.287 -0.395 0.000 0.956 399 K CB 0.374 32.537 32.500 -0.562 0.000 0.735 399 K HN 0.688 nan 8.250 nan 0.000 0.451 400 A N 0.786 123.480 122.820 -0.209 0.000 2.605 400 A HA 0.510 4.831 4.320 0.000 0.000 0.294 400 A C -2.020 175.459 177.584 -0.175 0.000 1.062 400 A CA -0.720 51.239 52.037 -0.130 0.000 0.682 400 A CB 1.419 20.341 19.000 -0.131 0.000 1.278 400 A HN 0.057 nan 8.150 nan 0.000 0.410 401 L N 2.236 123.401 121.223 -0.096 0.000 2.481 401 L HA 0.527 4.868 4.340 0.000 0.000 0.255 401 L C -2.773 174.080 176.870 -0.029 0.000 1.192 401 L CA -1.752 53.029 54.840 -0.098 0.000 0.924 401 L CB 1.295 43.315 42.059 -0.065 0.000 1.179 401 L HN 0.337 nan 8.230 nan 0.000 0.491 402 P HA 0.349 nan 4.420 nan 0.000 0.271 402 P C -0.638 176.676 177.300 0.023 0.000 1.220 402 P CA 0.241 63.334 63.100 -0.012 0.000 0.768 402 P CB 0.641 32.317 31.700 -0.040 0.000 0.848 403 I N 0.532 121.142 120.570 0.066 0.000 3.174 403 I HA 0.857 5.027 4.170 0.000 0.000 0.313 403 I C -0.539 175.627 176.117 0.081 0.000 1.155 403 I CA -1.565 59.803 61.300 0.114 0.000 0.977 403 I CB 2.761 40.880 38.000 0.198 0.000 1.248 403 I HN 0.306 nan 8.210 nan 0.000 0.453 404 R N 1.391 121.944 120.500 0.089 0.000 2.734 404 R HA 0.783 5.124 4.340 0.000 0.000 0.271 404 R C -2.249 174.100 176.300 0.082 0.000 1.021 404 R CA -0.749 55.258 56.100 -0.154 0.000 0.893 404 R CB 1.332 31.501 30.300 -0.220 0.000 1.244 404 R HN 0.964 nan 8.270 nan 0.000 0.464 405 W N -1.774 119.530 121.300 0.007 0.000 3.018 405 W HA 0.773 5.433 4.660 0.000 0.000 0.382 405 W C -1.076 175.447 176.519 0.007 0.000 1.161 405 W CA -1.127 56.223 57.345 0.009 0.000 1.144 405 W CB 0.355 29.821 29.460 0.011 0.000 1.499 405 W HN 0.809 nan 8.180 nan 0.000 0.596 406 R N 0.568 121.210 120.500 0.236 0.000 2.196 406 R HA 0.843 5.183 4.340 0.000 0.000 0.340 406 R C -0.166 176.248 176.300 0.189 0.000 1.043 406 R CA 0.073 56.237 56.100 0.107 0.000 0.883 406 R CB -0.549 29.811 30.300 0.100 0.000 1.078 406 R HN 1.131 nan 8.270 nan 0.000 0.462 407 R N 0.000 120.537 120.500 0.062 0.000 2.786 407 R HA 0.000 4.340 4.340 0.000 0.000 0.208 407 R CA 0.000 56.163 56.100 0.105 0.000 0.921 407 R CB 0.000 30.342 30.300 0.070 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535