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 1xpr_1_D DATA FIRST_RESID 1 DATA SEQUENCE MNLTELKNTP VSELITLGEN MGLENLARMR KQDIIFAILK QHAKSGEDIF DATA SEQUENCE GDGVLEILQD GFGFLRSADS SYLAGPDDIY VSPSQIRRFN LRTGDTISGK DATA SEQUENCE IRPPKEGERY FALLKVNEVN FDKPENXXNK ILFENLTPLH ANSRLRMXXX DATA SEQUENCE XGSTEDLTAR VLDLASPIGR GQRGLIVAPP KAGKTMLLQN IAQSIAYNHP DATA SEQUENCE DCVLMVLLID ERPEEVTEMQ RLVKGEVVAS TFDEPASRHV QVAEMVIEKA DATA SEQUENCE KRLVEHKKDV IILLDSITRL ARAYNTVVPA XXXVLTGGVD ANALHRPKRF DATA SEQUENCE FGAARNVEEG GSLTIIATAL IDTGSKMDEV IYEEFKGTGN MELHLSRKIA DATA SEQUENCE EKRVFPAIDY NRSGTRKEEL LTTQEELQKM WILRKIIHPM GEIDAMEFLI DATA SEQUENCE NKLAMTKTND DFFEMMK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.106 176.300 -0.323 0.000 1.140 1 M CA 0.000 55.107 55.300 -0.321 0.000 0.988 1 M CB 0.000 32.495 32.600 -0.175 0.000 1.302 2 N N 1.026 119.629 118.700 -0.163 0.000 2.492 2 N HA 0.216 4.956 4.740 0.001 0.000 0.262 2 N C 0.211 175.662 175.510 -0.098 0.000 1.202 2 N CA -0.074 52.929 53.050 -0.078 0.000 0.926 2 N CB 1.210 39.744 38.487 0.078 0.000 1.078 2 N HN 0.815 nan 8.380 nan 0.000 0.454 3 L N 2.941 124.104 121.223 -0.099 0.000 2.017 3 L HA -0.178 4.163 4.340 0.001 0.000 0.208 3 L C 1.837 178.678 176.870 -0.048 0.000 1.073 3 L CA 2.007 56.786 54.840 -0.102 0.000 0.745 3 L CB -0.635 41.361 42.059 -0.105 0.000 0.894 3 L HN 0.847 nan 8.230 nan 0.000 0.432 4 T N -3.472 111.074 114.554 -0.012 0.000 2.951 4 T HA -0.172 4.179 4.350 0.001 0.000 0.268 4 T C 1.674 176.373 174.700 -0.002 0.000 1.073 4 T CA 1.092 63.194 62.100 0.002 0.000 1.134 4 T CB -0.300 68.583 68.868 0.026 0.000 0.884 4 T HN 0.453 nan 8.240 nan 0.000 0.479 5 E N 0.385 120.583 120.200 -0.003 0.000 2.150 5 E HA -0.046 4.305 4.350 0.001 0.000 0.193 5 E C 1.914 178.501 176.600 -0.022 0.000 0.985 5 E CA 0.522 56.918 56.400 -0.006 0.000 0.814 5 E CB -0.100 29.599 29.700 -0.001 0.000 0.752 5 E HN 0.372 nan 8.360 nan 0.000 0.466 6 L N 0.870 122.070 121.223 -0.039 0.000 2.209 6 L HA -0.014 4.326 4.340 0.001 0.000 0.207 6 L C 1.851 178.705 176.870 -0.027 0.000 1.094 6 L CA 1.431 56.246 54.840 -0.043 0.000 0.790 6 L CB 0.029 42.046 42.059 -0.070 0.000 0.932 6 L HN -0.108 nan 8.230 nan 0.000 0.447 7 K N -0.617 119.769 120.400 -0.023 0.000 2.288 7 K HA -0.012 4.309 4.320 0.001 0.000 0.201 7 K C 1.044 177.636 176.600 -0.013 0.000 1.048 7 K CA 0.791 57.070 56.287 -0.015 0.000 0.956 7 K CB -0.009 32.483 32.500 -0.013 0.000 0.746 7 K HN 0.348 nan 8.250 nan 0.000 0.461 8 N N 1.154 119.847 118.700 -0.012 0.000 2.270 8 N HA -0.027 4.713 4.740 0.001 0.000 0.198 8 N C -0.290 175.215 175.510 -0.009 0.000 1.117 8 N CA 0.355 53.400 53.050 -0.010 0.000 0.845 8 N CB 0.648 39.131 38.487 -0.006 0.000 0.980 8 N HN 0.212 nan 8.380 nan 0.000 0.486 9 T N -0.489 114.059 114.554 -0.009 0.000 2.882 9 T HA 0.428 4.779 4.350 0.001 0.000 0.287 9 T C -2.687 172.009 174.700 -0.006 0.000 0.992 9 T CA -1.848 60.248 62.100 -0.008 0.000 1.076 9 T CB 1.588 70.450 68.868 -0.009 0.000 0.961 9 T HN -0.156 nan 8.240 nan 0.000 0.490 10 P HA 0.078 nan 4.420 nan 0.000 0.264 10 P C 1.200 178.499 177.300 -0.002 0.000 1.183 10 P CA -0.383 62.715 63.100 -0.003 0.000 0.763 10 P CB 0.385 32.083 31.700 -0.003 0.000 0.807 11 V N 1.712 121.626 119.914 -0.001 0.000 2.594 11 V HA -0.230 3.891 4.120 0.001 0.000 0.253 11 V C 2.425 178.521 176.094 0.003 0.000 1.069 11 V CA 2.298 64.600 62.300 0.002 0.000 1.082 11 V CB -1.169 30.656 31.823 0.003 0.000 0.680 11 V HN 0.665 nan 8.190 nan 0.000 0.469 12 S N 0.337 116.038 115.700 0.002 0.000 2.359 12 S HA -0.267 4.204 4.470 0.001 0.000 0.224 12 S C 1.960 176.562 174.600 0.003 0.000 1.035 12 S CA 2.191 60.392 58.200 0.003 0.000 1.018 12 S CB -0.209 62.992 63.200 0.001 0.000 0.876 12 S HN 0.782 nan 8.310 nan 0.000 0.448 13 E N 0.287 120.488 120.200 0.002 0.000 2.285 13 E HA 0.093 4.444 4.350 0.001 0.000 0.194 13 E C 2.019 178.620 176.600 0.002 0.000 0.997 13 E CA 0.356 56.757 56.400 0.002 0.000 0.845 13 E CB -0.126 29.574 29.700 -0.000 0.000 0.782 13 E HN 0.423 nan 8.360 nan 0.000 0.491 14 L N 0.636 121.861 121.223 0.002 0.000 2.093 14 L HA -0.134 4.207 4.340 0.001 0.000 0.208 14 L C 2.042 178.916 176.870 0.008 0.000 1.085 14 L CA 0.940 55.781 54.840 0.003 0.000 0.755 14 L CB 0.019 42.080 42.059 0.004 0.000 0.904 14 L HN 0.172 nan 8.230 nan 0.000 0.435 15 I N -1.210 119.366 120.570 0.010 0.000 2.353 15 I HA -0.249 3.921 4.170 0.001 0.000 0.248 15 I C 2.278 178.401 176.117 0.011 0.000 1.119 15 I CA 1.319 62.627 61.300 0.013 0.000 1.417 15 I CB -0.463 37.544 38.000 0.012 0.000 1.078 15 I HN 0.176 nan 8.210 nan 0.000 0.421 16 T N 1.165 115.724 114.554 0.008 0.000 2.788 16 T HA -0.149 4.202 4.350 0.001 0.000 0.268 16 T C 1.953 176.658 174.700 0.008 0.000 1.044 16 T CA 1.126 63.230 62.100 0.008 0.000 1.139 16 T CB -0.279 68.593 68.868 0.006 0.000 0.867 16 T HN 0.267 nan 8.240 nan 0.000 0.454 17 L N 0.663 121.890 121.223 0.008 0.000 2.093 17 L HA 0.050 4.390 4.340 0.001 0.000 0.208 17 L C 2.618 179.497 176.870 0.014 0.000 1.085 17 L CA 1.282 56.127 54.840 0.008 0.000 0.755 17 L CB -0.525 41.535 42.059 0.002 0.000 0.904 17 L HN 0.361 nan 8.230 nan 0.000 0.435 18 G N -1.433 107.376 108.800 0.015 0.000 2.448 18 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 18 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 18 G C 1.366 176.277 174.900 0.019 0.000 1.135 18 G CA 0.351 45.464 45.100 0.021 0.000 0.784 18 G HN 0.407 nan 8.290 nan 0.000 0.543 19 E N 0.745 120.954 120.200 0.015 0.000 2.106 19 E HA -0.092 4.258 4.350 0.001 0.000 0.192 19 E C 2.081 178.688 176.600 0.012 0.000 0.984 19 E CA 0.619 57.026 56.400 0.013 0.000 0.806 19 E CB 0.005 29.712 29.700 0.011 0.000 0.750 19 E HN 0.283 nan 8.360 nan 0.000 0.458 20 N N 0.253 118.961 118.700 0.012 0.000 2.396 20 N HA -0.075 4.666 4.740 0.001 0.000 0.180 20 N C 1.544 177.061 175.510 0.012 0.000 1.028 20 N CA 0.899 53.956 53.050 0.011 0.000 0.893 20 N CB 0.021 38.515 38.487 0.012 0.000 0.967 20 N HN 0.250 nan 8.380 nan 0.000 0.440 21 M N -1.019 118.591 119.600 0.016 0.000 2.476 21 M HA 0.138 4.618 4.480 0.001 0.000 0.262 21 M C 0.718 177.024 176.300 0.010 0.000 1.111 21 M CA 0.556 55.866 55.300 0.016 0.000 1.127 21 M CB 0.470 33.087 32.600 0.029 0.000 1.376 21 M HN 0.180 nan 8.290 nan 0.000 0.465 22 G N 1.615 110.421 108.800 0.010 0.000 2.181 22 G HA2 -0.129 3.832 3.960 0.001 0.000 0.152 22 G HA3 -0.129 3.832 3.960 0.001 0.000 0.152 22 G C -0.449 174.458 174.900 0.011 0.000 1.026 22 G CA -0.664 44.441 45.100 0.008 0.000 0.699 22 G HN 0.292 nan 8.290 nan 0.000 0.497 23 L N 0.385 121.617 121.223 0.015 0.000 2.309 23 L HA 0.533 4.874 4.340 0.001 0.000 0.282 23 L C 1.385 178.266 176.870 0.018 0.000 1.036 23 L CA -1.219 53.633 54.840 0.020 0.000 0.806 23 L CB 1.126 43.201 42.059 0.027 0.000 1.220 23 L HN 0.043 nan 8.230 nan 0.000 0.429 24 E N 1.724 121.935 120.200 0.018 0.000 1.999 24 E HA 0.033 4.383 4.350 0.001 0.000 0.198 24 E C -0.099 176.511 176.600 0.017 0.000 0.960 24 E CA 0.885 57.294 56.400 0.015 0.000 0.870 24 E CB 0.070 29.778 29.700 0.014 0.000 0.827 24 E HN 0.512 nan 8.360 nan 0.000 0.511 25 N N 0.825 119.537 118.700 0.019 0.000 2.444 25 N HA 0.208 4.949 4.740 0.001 0.000 0.262 25 N C 0.100 175.624 175.510 0.024 0.000 0.974 25 N CA 0.051 53.112 53.050 0.018 0.000 0.933 25 N CB 1.704 40.200 38.487 0.015 0.000 1.137 25 N HN 0.014 nan 8.380 nan 0.000 0.498 26 L N 0.824 122.061 121.223 0.023 0.000 3.128 26 L HA 0.310 4.651 4.340 0.001 0.000 0.277 26 L C 1.969 178.852 176.870 0.022 0.000 1.171 26 L CA 0.156 55.013 54.840 0.028 0.000 1.008 26 L CB -0.099 41.979 42.059 0.032 0.000 1.442 26 L HN 0.475 nan 8.230 nan 0.000 0.584 27 A N 0.352 123.182 122.820 0.017 0.000 2.019 27 A HA -0.107 4.213 4.320 0.001 0.000 0.219 27 A C 2.295 179.886 177.584 0.011 0.000 1.164 27 A CA 1.512 53.556 52.037 0.012 0.000 0.644 27 A CB -0.304 18.702 19.000 0.010 0.000 0.805 27 A HN 0.352 nan 8.150 nan 0.000 0.449 28 R N -1.531 118.976 120.500 0.011 0.000 2.362 28 R HA 0.306 4.647 4.340 0.001 0.000 0.227 28 R C -0.019 176.287 176.300 0.010 0.000 0.905 28 R CA -0.236 55.870 56.100 0.009 0.000 1.067 28 R CB 0.044 30.348 30.300 0.007 0.000 1.078 28 R HN 0.498 nan 8.270 nan 0.000 0.516 29 M N 0.617 120.227 119.600 0.016 0.000 2.227 29 M HA 0.204 4.685 4.480 0.001 0.000 0.316 29 M C 0.348 176.658 176.300 0.017 0.000 1.144 29 M CA -0.043 55.269 55.300 0.019 0.000 1.121 29 M CB 0.754 33.373 32.600 0.032 0.000 1.440 29 M HN -0.178 nan 8.290 nan 0.000 0.473 30 R N 0.995 121.505 120.500 0.015 0.000 2.643 30 R HA 0.027 4.367 4.340 0.001 0.000 0.270 30 R C 1.265 177.578 176.300 0.021 0.000 1.061 30 R CA -0.258 55.849 56.100 0.012 0.000 1.107 30 R CB 0.466 30.770 30.300 0.005 0.000 0.999 30 R HN 0.508 nan 8.270 nan 0.000 0.460 31 K N 2.283 122.692 120.400 0.015 0.000 2.044 31 K HA -0.266 4.055 4.320 0.001 0.000 0.210 31 K C 1.424 178.044 176.600 0.034 0.000 1.049 31 K CA 2.036 58.334 56.287 0.019 0.000 0.927 31 K CB 0.170 32.674 32.500 0.008 0.000 0.713 31 K HN 0.510 nan 8.250 nan 0.000 0.443 32 Q N 0.596 120.415 119.800 0.031 0.000 2.170 32 Q HA -0.102 4.239 4.340 0.001 0.000 0.203 32 Q C 1.792 177.844 176.000 0.086 0.000 0.976 32 Q CA 1.505 57.337 55.803 0.049 0.000 0.858 32 Q CB -0.039 28.714 28.738 0.025 0.000 0.907 32 Q HN 0.340 nan 8.270 nan 0.000 0.433 33 D N -0.187 120.256 120.400 0.071 0.000 2.162 33 D HA -0.027 4.613 4.640 0.001 0.000 0.203 33 D C 1.781 178.168 176.300 0.145 0.000 0.967 33 D CA 0.715 54.774 54.000 0.098 0.000 0.840 33 D CB 0.131 40.963 40.800 0.055 0.000 0.972 33 D HN 0.266 nan 8.370 nan 0.000 0.482 34 I N 1.328 121.959 120.570 0.100 0.000 2.226 34 I HA -0.234 3.936 4.170 0.001 0.000 0.245 34 I C 2.376 178.557 176.117 0.106 0.000 1.100 34 I CA 0.524 61.879 61.300 0.091 0.000 1.374 34 I CB -0.105 37.928 38.000 0.054 0.000 1.057 34 I HN -0.018 nan 8.210 nan 0.000 0.413 35 I N 0.450 121.083 120.570 0.105 0.000 2.118 35 I HA -0.346 3.825 4.170 0.001 0.000 0.241 35 I C 2.602 178.804 176.117 0.141 0.000 1.070 35 I CA 2.041 63.394 61.300 0.089 0.000 1.327 35 I CB -1.220 36.825 38.000 0.075 0.000 1.034 35 I HN 0.211 nan 8.210 nan 0.000 0.405 36 F N 1.805 121.813 119.950 0.096 0.000 2.126 36 F HA -0.194 4.334 4.527 0.002 0.000 0.299 36 F C 2.535 178.446 175.800 0.185 0.000 1.096 36 F CA 1.689 59.806 58.000 0.194 0.000 1.255 36 F CB -0.174 38.949 39.000 0.204 0.000 0.997 36 F HN 0.037 nan 8.300 nan 0.000 0.479 37 A N 0.164 123.139 122.820 0.260 0.000 1.969 37 A HA -0.114 4.207 4.320 0.001 0.000 0.218 37 A C 2.250 179.870 177.584 0.060 0.000 1.169 37 A CA 1.771 53.897 52.037 0.148 0.000 0.635 37 A CB -1.007 18.080 19.000 0.144 0.000 0.810 37 A HN 0.499 nan 8.150 nan 0.000 0.445 38 I N -0.604 119.997 120.570 0.052 0.000 2.333 38 I HA -0.169 4.002 4.170 0.001 0.000 0.246 38 I C 2.222 178.349 176.117 0.017 0.000 1.106 38 I CA 0.757 62.075 61.300 0.029 0.000 1.411 38 I CB -0.218 37.792 38.000 0.016 0.000 1.082 38 I HN 0.260 nan 8.210 nan 0.000 0.420 39 L N 0.344 121.550 121.223 -0.029 0.000 2.131 39 L HA -0.205 4.136 4.340 0.001 0.000 0.210 39 L C 2.512 179.451 176.870 0.114 0.000 1.092 39 L CA 1.080 55.883 54.840 -0.061 0.000 0.759 39 L CB -0.575 41.291 42.059 -0.322 0.000 0.903 39 L HN 0.159 nan 8.230 nan 0.000 0.435 40 K N -0.066 120.352 120.400 0.031 0.000 2.155 40 K HA -0.181 4.140 4.320 0.001 0.000 0.203 40 K C 2.098 178.704 176.600 0.011 0.000 1.052 40 K CA 1.078 57.350 56.287 -0.025 0.000 0.948 40 K CB -0.014 32.378 32.500 -0.180 0.000 0.728 40 K HN 0.207 nan 8.250 nan 0.000 0.448 41 Q N -0.015 119.802 119.800 0.028 0.000 2.230 41 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 41 Q C 0.967 176.986 176.000 0.032 0.000 0.963 41 Q CA 1.264 57.082 55.803 0.024 0.000 0.866 41 Q CB -0.057 28.698 28.738 0.029 0.000 0.931 41 Q HN 0.237 nan 8.270 nan 0.000 0.452 42 H N -0.415 118.643 119.070 -0.019 0.000 2.727 42 H HA 0.388 4.945 4.556 0.001 0.000 0.312 42 H C -0.058 175.265 175.328 -0.009 0.000 1.204 42 H CA 0.533 56.564 56.048 -0.028 0.000 1.122 42 H CB 0.094 29.821 29.762 -0.058 0.000 1.453 42 H HN 0.362 nan 8.280 nan 0.000 0.514 43 A N 0.800 123.636 122.820 0.027 0.000 2.303 43 A HA 0.017 4.337 4.320 0.001 0.000 0.217 43 A C 1.916 179.483 177.584 -0.029 0.000 1.205 43 A CA -0.191 51.866 52.037 0.034 0.000 0.875 43 A CB -0.006 19.008 19.000 0.024 0.000 0.910 43 A HN 0.450 nan 8.150 nan 0.000 0.501 44 K N -0.536 119.806 120.400 -0.095 0.000 2.522 44 K HA 0.197 4.518 4.320 0.001 0.000 0.194 44 K C 0.094 176.620 176.600 -0.124 0.000 1.026 44 K CA 0.653 56.881 56.287 -0.100 0.000 1.119 44 K CB -0.011 32.428 32.500 -0.103 0.000 0.856 44 K HN 0.098 nan 8.250 nan 0.000 0.513 45 S N 0.374 115.990 115.700 -0.140 0.000 2.609 45 S HA 0.403 4.874 4.470 0.001 0.000 0.250 45 S C -0.299 174.299 174.600 -0.003 0.000 1.112 45 S CA -0.777 57.363 58.200 -0.100 0.000 1.102 45 S CB 0.879 63.961 63.200 -0.197 0.000 1.124 45 S HN 0.446 nan 8.310 nan 0.000 0.460 46 G N 1.448 110.259 108.800 0.018 0.000 2.588 46 G HA2 0.494 4.455 3.960 0.001 0.000 0.281 46 G HA3 0.494 4.455 3.960 0.001 0.000 0.281 46 G C -0.148 174.779 174.900 0.046 0.000 1.236 46 G CA -0.359 44.767 45.100 0.042 0.000 0.969 46 G HN 0.758 nan 8.290 nan 0.000 0.504 47 E N -0.847 119.388 120.200 0.059 0.000 2.440 47 E HA -0.180 4.171 4.350 0.001 0.000 0.246 47 E C 0.365 176.998 176.600 0.055 0.000 1.165 47 E CA 1.284 57.752 56.400 0.112 0.000 0.726 47 E CB -0.643 29.138 29.700 0.135 0.000 1.271 47 E HN 0.791 nan 8.360 nan 0.000 0.397 48 D N -0.297 119.987 120.400 -0.193 0.000 2.526 48 D HA -0.000 4.640 4.640 0.001 0.000 0.293 48 D C 0.808 176.448 176.300 -1.100 0.000 1.081 48 D CA -0.093 53.623 54.000 -0.474 0.000 0.924 48 D CB 0.564 41.311 40.800 -0.088 0.000 1.498 48 D HN 0.210 nan 8.370 nan 0.000 0.497 49 I N 1.051 121.223 120.570 -0.663 0.000 2.347 49 I HA 0.265 4.436 4.170 0.001 0.000 0.294 49 I C -1.124 174.698 176.117 -0.492 0.000 1.090 49 I CA -0.213 60.730 61.300 -0.595 0.000 1.314 49 I CB -0.643 37.142 38.000 -0.359 0.000 1.423 49 I HN -0.171 nan 8.210 nan 0.000 0.503 50 F N 5.362 125.276 119.950 -0.060 0.000 2.395 50 F HA 0.589 5.116 4.527 0.001 0.000 0.347 50 F C 1.319 177.094 175.800 -0.042 0.000 1.157 50 F CA -0.914 57.065 58.000 -0.035 0.000 1.272 50 F CB 0.356 39.343 39.000 -0.020 0.000 1.607 50 F HN 0.586 nan 8.300 nan 0.000 0.571 51 G N 1.764 110.601 108.800 0.062 0.000 2.544 51 G HA2 0.436 4.397 3.960 0.001 0.000 0.242 51 G HA3 0.436 4.397 3.960 0.001 0.000 0.242 51 G C -0.496 174.439 174.900 0.060 0.000 1.247 51 G CA -0.302 44.812 45.100 0.024 0.000 0.840 51 G HN 0.559 nan 8.290 nan 0.000 0.578 52 D N -0.728 119.701 120.400 0.048 0.000 2.643 52 D HA 0.693 5.334 4.640 0.001 0.000 0.283 52 D C -0.053 176.277 176.300 0.050 0.000 1.242 52 D CA -0.083 53.943 54.000 0.043 0.000 0.863 52 D CB 1.461 42.285 40.800 0.040 0.000 1.382 52 D HN 1.372 nan 8.370 nan 0.000 0.444 53 G N -1.252 107.573 108.800 0.043 0.000 2.350 53 G HA2 0.369 4.330 3.960 0.001 0.000 0.304 53 G HA3 0.369 4.330 3.960 0.001 0.000 0.304 53 G C -1.632 173.315 174.900 0.077 0.000 1.421 53 G CA -0.570 44.577 45.100 0.079 0.000 0.934 53 G HN 0.515 nan 8.290 nan 0.000 0.632 54 V N 0.915 120.920 119.914 0.153 0.000 2.461 54 V HA 0.495 4.615 4.120 0.001 0.000 0.275 54 V C 0.808 176.949 176.094 0.079 0.000 1.047 54 V CA -0.538 61.829 62.300 0.112 0.000 0.955 54 V CB 1.126 33.052 31.823 0.172 0.000 0.988 54 V HN 0.863 nan 8.190 nan 0.000 0.471 55 L N 4.486 125.725 121.223 0.027 0.000 2.426 55 L HA 0.386 4.727 4.340 0.001 0.000 0.271 55 L C 0.153 177.028 176.870 0.009 0.000 1.169 55 L CA 0.749 55.602 54.840 0.021 0.000 0.836 55 L CB 0.632 42.685 42.059 -0.009 0.000 1.112 55 L HN 0.848 nan 8.230 nan 0.000 0.465 56 E N 5.108 125.328 120.200 0.033 0.000 2.316 56 E HA 0.332 4.683 4.350 0.001 0.000 0.254 56 E C -1.197 175.404 176.600 0.002 0.000 0.902 56 E CA -0.555 55.853 56.400 0.013 0.000 0.801 56 E CB 0.857 30.571 29.700 0.025 0.000 1.270 56 E HN 0.655 nan 8.360 nan 0.000 0.414 57 I N 4.539 125.081 120.570 -0.046 0.000 2.529 57 I HA 0.113 4.283 4.170 0.001 0.000 0.284 57 I C 0.174 176.198 176.117 -0.155 0.000 1.082 57 I CA -0.246 60.991 61.300 -0.105 0.000 1.406 57 I CB 0.381 38.327 38.000 -0.089 0.000 1.405 57 I HN 0.411 nan 8.210 nan 0.000 0.548 58 L N 4.992 126.022 121.223 -0.323 0.000 2.544 58 L HA 0.256 4.596 4.340 0.001 0.000 0.256 58 L C 1.450 178.131 176.870 -0.315 0.000 1.097 58 L CA 0.038 54.644 54.840 -0.390 0.000 0.812 58 L CB 0.345 41.967 42.059 -0.729 0.000 1.440 58 L HN 0.545 nan 8.230 nan 0.000 0.496 59 Q N -0.284 119.383 119.800 -0.222 0.000 2.096 59 Q HA -0.186 4.155 4.340 0.001 0.000 0.204 59 Q C 0.855 176.822 176.000 -0.055 0.000 0.982 59 Q CA 1.770 57.518 55.803 -0.091 0.000 0.850 59 Q CB -0.049 28.677 28.738 -0.021 0.000 0.901 59 Q HN 0.572 nan 8.270 nan 0.000 0.422 60 D N -1.538 118.840 120.400 -0.037 0.000 2.317 60 D HA 0.004 4.645 4.640 0.001 0.000 0.211 60 D C 1.119 177.489 176.300 0.117 0.000 0.966 60 D CA 1.216 55.297 54.000 0.136 0.000 0.876 60 D CB 0.571 41.624 40.800 0.422 0.000 0.927 60 D HN 0.470 nan 8.370 nan 0.000 0.519 61 G N 0.539 109.326 108.800 -0.022 0.000 2.205 61 G HA2 -0.171 3.789 3.960 0.001 0.000 0.180 61 G HA3 -0.171 3.789 3.960 0.001 0.000 0.180 61 G C 0.149 175.070 174.900 0.035 0.000 1.004 61 G CA -0.138 44.965 45.100 0.005 0.000 0.670 61 G HN 0.325 nan 8.290 nan 0.000 0.496 62 F N 1.050 121.016 119.950 0.028 0.000 2.397 62 F HA 0.857 5.384 4.527 0.001 0.000 0.331 62 F C 0.590 176.331 175.800 -0.099 0.000 1.090 62 F CA -1.046 56.929 58.000 -0.042 0.000 1.065 62 F CB 1.297 40.364 39.000 0.112 0.000 1.184 62 F HN 0.259 nan 8.300 nan 0.000 0.499 63 G N 1.326 110.016 108.800 -0.184 0.000 2.537 63 G HA2 0.707 4.668 3.960 0.001 0.000 0.323 63 G HA3 0.707 4.668 3.960 0.001 0.000 0.323 63 G C -2.233 172.454 174.900 -0.354 0.000 1.207 63 G CA -0.839 44.141 45.100 -0.200 0.000 0.976 63 G HN 0.583 nan 8.290 nan 0.000 0.487 64 F N -0.799 119.139 119.950 -0.021 0.000 2.596 64 F HA 0.400 4.928 4.527 0.001 0.000 0.311 64 F C -0.116 175.690 175.800 0.010 0.000 1.116 64 F CA -0.635 57.372 58.000 0.011 0.000 0.957 64 F CB 2.274 41.286 39.000 0.020 0.000 1.250 64 F HN 0.159 nan 8.300 nan 0.000 0.444 65 L N 5.118 126.476 121.223 0.225 0.000 2.281 65 L HA 0.490 4.831 4.340 0.001 0.000 0.285 65 L C -0.156 176.823 176.870 0.181 0.000 1.074 65 L CA -0.637 54.298 54.840 0.159 0.000 0.817 65 L CB 0.451 42.578 42.059 0.114 0.000 1.168 65 L HN 0.458 nan 8.230 nan 0.000 0.434 66 R N 2.099 122.713 120.500 0.189 0.000 2.393 66 R HA 0.343 4.684 4.340 0.001 0.000 0.310 66 R C -0.228 176.192 176.300 0.199 0.000 0.968 66 R CA -0.549 55.683 56.100 0.220 0.000 0.867 66 R CB 1.821 32.321 30.300 0.333 0.000 1.124 66 R HN 0.647 nan 8.270 nan 0.000 0.450 67 S N 0.417 116.162 115.700 0.075 0.000 2.513 67 S HA 0.320 4.790 4.470 0.001 0.000 0.276 67 S C 1.019 175.476 174.600 -0.238 0.000 1.254 67 S CA -0.412 57.772 58.200 -0.027 0.000 1.053 67 S CB 1.798 64.988 63.200 -0.018 0.000 0.958 67 S HN 0.665 nan 8.310 nan 0.000 0.491 68 A N 2.191 124.819 122.820 -0.319 0.000 2.119 68 A HA -0.028 4.293 4.320 0.001 0.000 0.216 68 A C 1.896 179.281 177.584 -0.331 0.000 1.152 68 A CA 0.951 52.631 52.037 -0.596 0.000 0.708 68 A CB -0.590 18.196 19.000 -0.357 0.000 0.805 68 A HN 0.983 nan 8.150 nan 0.000 0.460 69 D N 0.528 120.822 120.400 -0.178 0.000 2.219 69 D HA -0.124 4.517 4.640 0.001 0.000 0.205 69 D C 1.444 177.683 176.300 -0.102 0.000 0.970 69 D CA 1.598 55.534 54.000 -0.106 0.000 0.851 69 D CB -0.408 40.356 40.800 -0.059 0.000 0.943 69 D HN 0.465 nan 8.370 nan 0.000 0.488 70 S N -1.134 114.494 115.700 -0.120 0.000 2.572 70 S HA 0.245 4.715 4.470 0.001 0.000 0.228 70 S C 0.352 174.888 174.600 -0.106 0.000 0.963 70 S CA -0.113 58.035 58.200 -0.087 0.000 0.939 70 S CB -0.007 63.160 63.200 -0.055 0.000 0.804 70 S HN 0.117 nan 8.310 nan 0.000 0.480 71 S N 1.067 116.646 115.700 -0.202 0.000 3.706 71 S HA -0.206 4.265 4.470 0.001 0.000 0.363 71 S C -0.241 174.312 174.600 -0.079 0.000 0.999 71 S CA 0.628 58.705 58.200 -0.206 0.000 1.143 71 S CB -2.520 60.659 63.200 -0.035 0.000 0.902 71 S HN 0.895 nan 8.310 nan 0.000 0.476 72 Y N -4.251 116.059 120.300 0.018 0.000 3.929 72 Y HA -0.236 4.315 4.550 0.001 0.000 0.225 72 Y C 0.456 176.350 175.900 -0.010 0.000 1.200 72 Y CA 0.471 58.579 58.100 0.012 0.000 1.791 72 Y CB -1.923 36.551 38.460 0.023 0.000 1.561 72 Y HN 0.566 nan 8.280 nan 0.000 0.657 73 L N 1.068 122.325 121.223 0.056 0.000 2.380 73 L HA 0.708 5.048 4.340 0.001 0.000 0.273 73 L C 0.768 177.630 176.870 -0.013 0.000 1.138 73 L CA -0.247 54.601 54.840 0.014 0.000 0.832 73 L CB 0.792 42.843 42.059 -0.012 0.000 1.124 73 L HN 0.238 nan 8.230 nan 0.000 0.454 74 A N 3.492 126.283 122.820 -0.049 0.000 2.425 74 A HA 0.654 4.974 4.320 0.001 0.000 0.249 74 A C 0.415 177.941 177.584 -0.096 0.000 1.084 74 A CA 0.554 52.525 52.037 -0.111 0.000 0.781 74 A CB -0.161 18.747 19.000 -0.154 0.000 1.019 74 A HN 1.080 nan 8.150 nan 0.000 0.490 75 G N 0.613 109.343 108.800 -0.116 0.000 2.570 75 G HA2 0.537 4.498 3.960 0.001 0.000 0.310 75 G HA3 0.537 4.498 3.960 0.001 0.000 0.310 75 G C -2.629 172.233 174.900 -0.063 0.000 1.266 75 G CA 0.012 45.071 45.100 -0.069 0.000 0.825 75 G HN 0.329 nan 8.290 nan 0.000 0.483 76 P HA 0.120 nan 4.420 nan 0.000 0.217 76 P C 0.406 177.816 177.300 0.182 0.000 1.154 76 P CA 1.119 64.181 63.100 -0.063 0.000 0.841 76 P CB -0.014 31.550 31.700 -0.225 0.000 0.790 77 D N 0.453 120.999 120.400 0.243 0.000 2.982 77 D HA 0.067 4.708 4.640 0.001 0.000 0.238 77 D C -0.898 175.534 176.300 0.219 0.000 1.168 77 D CA -0.135 54.057 54.000 0.319 0.000 0.947 77 D CB -1.356 39.568 40.800 0.208 0.000 1.147 77 D HN 0.115 nan 8.370 nan 0.000 0.450 78 D N 0.021 120.567 120.400 0.243 0.000 2.391 78 D HA 0.354 4.994 4.640 0.001 0.000 0.245 78 D C 0.004 176.531 176.300 0.378 0.000 1.069 78 D CA -0.521 53.613 54.000 0.223 0.000 0.831 78 D CB 1.611 42.454 40.800 0.071 0.000 1.204 78 D HN 0.139 nan 8.370 nan 0.000 0.503 79 I N 2.702 123.469 120.570 0.327 0.000 2.436 79 I HA 0.076 4.246 4.170 0.001 0.000 0.289 79 I C -0.130 176.139 176.117 0.252 0.000 1.083 79 I CA -0.619 60.873 61.300 0.321 0.000 1.372 79 I CB 0.134 38.256 38.000 0.204 0.000 1.408 79 I HN 0.373 nan 8.210 nan 0.000 0.516 80 Y N 7.581 127.947 120.300 0.109 0.000 2.425 80 Y HA 0.367 4.918 4.550 0.001 0.000 0.331 80 Y C -0.424 175.391 175.900 -0.141 0.000 1.157 80 Y CA -0.255 57.697 58.100 -0.248 0.000 1.372 80 Y CB 0.682 39.101 38.460 -0.069 0.000 1.253 80 Y HN 0.277 nan 8.280 nan 0.000 0.536 81 V N 6.951 126.280 119.914 -0.975 0.000 2.407 81 V HA 0.266 4.387 4.120 0.001 0.000 0.291 81 V C -0.341 175.173 176.094 -0.966 0.000 1.018 81 V CA -0.803 61.083 62.300 -0.691 0.000 0.842 81 V CB 1.152 32.777 31.823 -0.330 0.000 0.996 81 V HN 0.923 nan 8.190 nan 0.000 0.426 82 S N 5.027 120.359 115.700 -0.614 0.000 2.576 82 S HA 0.276 4.747 4.470 0.001 0.000 0.276 82 S C -1.761 172.768 174.600 -0.119 0.000 1.339 82 S CA -0.909 57.133 58.200 -0.263 0.000 1.039 82 S CB 0.970 64.199 63.200 0.049 0.000 0.902 82 S HN 0.549 nan 8.310 nan 0.000 0.516 83 P HA -0.017 nan 4.420 nan 0.000 0.223 83 P C 1.144 178.452 177.300 0.013 0.000 1.144 83 P CA 0.873 63.983 63.100 0.017 0.000 0.783 83 P CB -0.067 31.676 31.700 0.072 0.000 0.771 84 S N -0.523 115.189 115.700 0.020 0.000 2.357 84 S HA -0.164 4.307 4.470 0.001 0.000 0.221 84 S C 1.950 176.558 174.600 0.015 0.000 1.031 84 S CA 1.126 59.340 58.200 0.022 0.000 0.982 84 S CB -0.742 62.479 63.200 0.034 0.000 0.853 84 S HN 0.185 nan 8.310 nan 0.000 0.458 85 Q N 0.650 120.453 119.800 0.005 0.000 2.167 85 Q HA 0.049 4.390 4.340 0.001 0.000 0.202 85 Q C 1.981 177.991 176.000 0.017 0.000 0.970 85 Q CA 0.903 56.713 55.803 0.012 0.000 0.855 85 Q CB -0.250 28.485 28.738 -0.005 0.000 0.911 85 Q HN 0.401 nan 8.270 nan 0.000 0.438 86 I N 0.068 120.634 120.570 -0.007 0.000 2.226 86 I HA -0.253 3.918 4.170 0.001 0.000 0.245 86 I C 1.882 178.008 176.117 0.016 0.000 1.100 86 I CA 1.529 62.828 61.300 -0.000 0.000 1.374 86 I CB -0.774 37.212 38.000 -0.022 0.000 1.057 86 I HN 0.243 nan 8.210 nan 0.000 0.413 87 R N -0.144 120.361 120.500 0.008 0.000 2.189 87 R HA -0.069 4.272 4.340 0.001 0.000 0.218 87 R C 2.367 178.662 176.300 -0.008 0.000 1.074 87 R CA 0.259 56.359 56.100 -0.000 0.000 0.991 87 R CB -0.081 30.218 30.300 -0.002 0.000 0.883 87 R HN 0.293 nan 8.270 nan 0.000 0.457 88 R N 0.466 120.974 120.500 0.013 0.000 2.078 88 R HA -0.076 4.264 4.340 0.001 0.000 0.224 88 R C -0.088 176.204 176.300 -0.013 0.000 1.149 88 R CA 1.417 57.522 56.100 0.009 0.000 0.916 88 R CB -0.163 30.171 30.300 0.056 0.000 0.821 88 R HN 0.054 nan 8.270 nan 0.000 0.434 89 F N 2.187 122.135 119.950 -0.004 0.000 2.366 89 F HA 0.240 4.768 4.527 0.001 0.000 0.357 89 F C -0.463 175.334 175.800 -0.006 0.000 1.107 89 F CA -1.509 56.489 58.000 -0.002 0.000 1.208 89 F CB -0.201 38.799 39.000 0.001 0.000 1.464 89 F HN 0.176 nan 8.300 nan 0.000 0.501 90 N N 3.667 122.466 118.700 0.166 0.000 1.628 90 N HA -0.207 4.533 4.740 0.001 0.000 0.321 90 N C -1.029 174.544 175.510 0.106 0.000 1.268 90 N CA 0.626 53.738 53.050 0.104 0.000 0.886 90 N CB -0.007 38.522 38.487 0.071 0.000 1.182 90 N HN 0.563 nan 8.380 nan 0.000 0.495 91 L N 4.169 125.430 121.223 0.063 0.000 2.272 91 L HA 0.350 4.691 4.340 0.001 0.000 0.284 91 L C 0.983 177.859 176.870 0.009 0.000 1.045 91 L CA -0.613 54.247 54.840 0.032 0.000 0.842 91 L CB 0.634 42.701 42.059 0.014 0.000 1.224 91 L HN 0.438 nan 8.230 nan 0.000 0.430 92 R N 0.719 121.226 120.500 0.013 0.000 2.583 92 R HA 0.273 4.614 4.340 0.001 0.000 0.268 92 R C 0.307 176.606 176.300 -0.001 0.000 1.101 92 R CA -0.626 55.476 56.100 0.004 0.000 1.180 92 R CB 0.922 31.232 30.300 0.016 0.000 1.128 92 R HN 0.363 nan 8.270 nan 0.000 0.568 93 T N -0.559 113.992 114.554 -0.004 0.000 2.916 93 T HA 0.268 4.618 4.350 0.001 0.000 0.303 93 T C 0.987 175.687 174.700 0.000 0.000 1.025 93 T CA 1.136 63.231 62.100 -0.008 0.000 1.142 93 T CB 0.235 69.096 68.868 -0.012 0.000 0.947 93 T HN 0.756 nan 8.240 nan 0.000 0.544 94 G N 3.876 112.664 108.800 -0.021 0.000 2.134 94 G HA2 -0.146 3.815 3.960 0.001 0.000 0.209 94 G HA3 -0.146 3.815 3.960 0.001 0.000 0.209 94 G C -0.287 174.606 174.900 -0.012 0.000 0.993 94 G CA -0.127 44.958 45.100 -0.026 0.000 0.669 94 G HN 0.758 nan 8.290 nan 0.000 0.519 95 D N 1.161 121.552 120.400 -0.016 0.000 2.198 95 D HA 0.487 5.128 4.640 0.001 0.000 0.245 95 D C 0.319 176.587 176.300 -0.054 0.000 1.079 95 D CA 0.245 54.229 54.000 -0.027 0.000 0.854 95 D CB 1.296 42.083 40.800 -0.022 0.000 1.148 95 D HN 0.065 nan 8.370 nan 0.000 0.456 96 T N 3.057 117.542 114.554 -0.116 0.000 2.780 96 T HA 0.453 4.804 4.350 0.001 0.000 0.294 96 T C 0.539 175.102 174.700 -0.229 0.000 0.949 96 T CA -0.235 61.741 62.100 -0.207 0.000 1.074 96 T CB 0.441 69.038 68.868 -0.450 0.000 0.910 96 T HN 0.190 nan 8.240 nan 0.000 0.501 97 I N 2.228 122.711 120.570 -0.146 0.000 2.498 97 I HA 0.392 4.562 4.170 0.001 0.000 0.290 97 I C 0.106 176.178 176.117 -0.075 0.000 1.032 97 I CA -0.591 60.644 61.300 -0.108 0.000 1.073 97 I CB 2.213 40.180 38.000 -0.056 0.000 1.251 97 I HN 0.525 nan 8.210 nan 0.000 0.426 98 S N 2.682 118.340 115.700 -0.069 0.000 2.664 98 S HA 0.988 5.459 4.470 0.001 0.000 0.304 98 S C -0.073 174.532 174.600 0.008 0.000 1.099 98 S CA -0.635 57.555 58.200 -0.018 0.000 1.003 98 S CB 2.141 65.328 63.200 -0.022 0.000 1.092 98 S HN 1.044 nan 8.310 nan 0.000 0.525 99 G N 0.833 109.667 108.800 0.056 0.000 2.350 99 G HA2 0.301 4.261 3.960 0.001 0.000 0.304 99 G HA3 0.301 4.261 3.960 0.001 0.000 0.304 99 G C -2.194 172.804 174.900 0.163 0.000 1.421 99 G CA -1.148 44.002 45.100 0.084 0.000 0.934 99 G HN 0.476 nan 8.290 nan 0.000 0.632 100 K N 0.123 120.637 120.400 0.191 0.000 2.368 100 K HA 0.534 4.855 4.320 0.001 0.000 0.282 100 K C 0.692 177.374 176.600 0.137 0.000 1.035 100 K CA -0.066 56.348 56.287 0.211 0.000 0.973 100 K CB 0.828 33.460 32.500 0.220 0.000 0.957 100 K HN 0.667 nan 8.250 nan 0.000 0.474 101 I N -0.499 120.134 120.570 0.105 0.000 2.460 101 I HA 0.610 4.781 4.170 0.001 0.000 0.298 101 I C -0.501 175.741 176.117 0.210 0.000 0.989 101 I CA -1.329 60.059 61.300 0.147 0.000 1.173 101 I CB 1.866 39.928 38.000 0.103 0.000 1.338 101 I HN 0.427 nan 8.210 nan 0.000 0.456 102 R N 3.790 124.457 120.500 0.279 0.000 2.664 102 R HA 0.765 5.106 4.340 0.001 0.000 0.286 102 R C -2.995 173.471 176.300 0.277 0.000 0.967 102 R CA -2.074 54.175 56.100 0.247 0.000 0.933 102 R CB 0.162 30.546 30.300 0.141 0.000 1.146 102 R HN 0.334 nan 8.270 nan 0.000 0.468 103 P HA 0.065 nan 4.420 nan 0.000 0.267 103 P C -2.282 174.862 177.300 -0.260 0.000 1.200 103 P CA -0.794 62.150 63.100 -0.261 0.000 0.772 103 P CB -0.069 31.558 31.700 -0.121 0.000 0.855 104 P HA 0.056 nan 4.420 nan 0.000 0.268 104 P C -0.280 176.937 177.300 -0.140 0.000 1.204 104 P CA 0.271 63.246 63.100 -0.208 0.000 0.768 104 P CB 0.608 32.190 31.700 -0.197 0.000 0.842 105 K N 1.985 122.326 120.400 -0.097 0.000 2.276 105 K HA 0.081 4.402 4.320 0.001 0.000 0.259 105 K C 0.466 177.014 176.600 -0.086 0.000 1.001 105 K CA -0.274 55.967 56.287 -0.077 0.000 0.927 105 K CB 0.324 32.789 32.500 -0.058 0.000 0.969 105 K HN 0.446 nan 8.250 nan 0.000 0.490 106 E N 0.216 120.374 120.200 -0.069 0.000 2.558 106 E HA -0.066 4.285 4.350 0.001 0.000 0.255 106 E C 0.702 177.255 176.600 -0.078 0.000 0.968 106 E CA 0.788 57.148 56.400 -0.067 0.000 0.939 106 E CB 0.117 29.787 29.700 -0.050 0.000 0.921 106 E HN 0.842 nan 8.360 nan 0.000 0.477 107 G N 2.954 111.703 108.800 -0.085 0.000 2.141 107 G HA2 -0.265 3.696 3.960 0.001 0.000 0.231 107 G HA3 -0.265 3.696 3.960 0.001 0.000 0.231 107 G C 0.014 174.829 174.900 -0.140 0.000 0.984 107 G CA 0.061 45.102 45.100 -0.098 0.000 0.660 107 G HN 0.529 nan 8.290 nan 0.000 0.525 108 E N -1.531 118.572 120.200 -0.162 0.000 2.303 108 E HA 0.754 5.105 4.350 0.001 0.000 0.254 108 E C 1.070 177.496 176.600 -0.290 0.000 0.979 108 E CA -1.046 55.207 56.400 -0.245 0.000 0.843 108 E CB 1.135 30.696 29.700 -0.232 0.000 1.245 108 E HN 0.133 nan 8.360 nan 0.000 0.413 109 R N -0.640 119.552 120.500 -0.513 0.000 2.383 109 R HA 0.179 4.519 4.340 0.001 0.000 0.205 109 R C -0.296 175.707 176.300 -0.495 0.000 0.875 109 R CA 0.186 55.914 56.100 -0.620 0.000 1.039 109 R CB 0.665 30.430 30.300 -0.892 0.000 1.267 109 R HN 0.441 nan 8.270 nan 0.000 0.635 110 Y N -2.504 117.847 120.300 0.086 0.000 2.615 110 Y HA 0.467 5.018 4.550 0.001 0.000 0.341 110 Y C -0.359 175.723 175.900 0.303 0.000 1.089 110 Y CA -1.895 56.386 58.100 0.301 0.000 1.049 110 Y CB 0.351 38.996 38.460 0.309 0.000 1.296 110 Y HN -0.332 nan 8.280 nan 0.000 0.470 111 F N 1.454 121.758 119.950 0.589 0.000 2.545 111 F HA 0.422 4.949 4.527 0.001 0.000 0.348 111 F C 0.721 176.723 175.800 0.336 0.000 1.163 111 F CA 0.694 58.901 58.000 0.346 0.000 1.331 111 F CB 0.494 39.645 39.000 0.251 0.000 1.138 111 F HN 0.680 nan 8.300 nan 0.000 0.602 112 A N 3.169 126.244 122.820 0.425 0.000 2.384 112 A HA 0.666 4.986 4.320 0.001 0.000 0.312 112 A C -1.294 176.446 177.584 0.260 0.000 1.113 112 A CA -0.881 51.367 52.037 0.353 0.000 0.779 112 A CB 1.239 20.426 19.000 0.311 0.000 1.307 112 A HN 0.796 nan 8.150 nan 0.000 0.436 113 L N 1.429 122.763 121.223 0.186 0.000 2.367 113 L HA 0.332 4.673 4.340 0.001 0.000 0.275 113 L C 0.489 177.428 176.870 0.114 0.000 1.129 113 L CA -0.229 54.685 54.840 0.122 0.000 0.839 113 L CB 0.858 42.952 42.059 0.058 0.000 1.133 113 L HN 0.856 nan 8.230 nan 0.000 0.453 114 L N 3.973 125.260 121.223 0.107 0.000 2.546 114 L HA 0.401 4.742 4.340 0.001 0.000 0.182 114 L C -0.114 176.801 176.870 0.075 0.000 1.167 114 L CA 0.710 55.607 54.840 0.094 0.000 0.845 114 L CB 0.081 42.201 42.059 0.101 0.000 1.134 114 L HN 0.616 nan 8.230 nan 0.000 0.500 115 K N -0.354 120.090 120.400 0.073 0.000 2.427 115 K HA 0.540 4.860 4.320 0.001 0.000 0.252 115 K C -1.324 175.302 176.600 0.045 0.000 0.931 115 K CA -0.656 55.666 56.287 0.057 0.000 0.793 115 K CB 1.760 34.293 32.500 0.056 0.000 1.211 115 K HN 0.036 nan 8.250 nan 0.000 0.426 116 V N 1.582 121.512 119.914 0.027 0.000 2.546 116 V HA 0.425 4.546 4.120 0.001 0.000 0.284 116 V C 0.369 176.453 176.094 -0.017 0.000 1.050 116 V CA -0.354 61.947 62.300 0.002 0.000 0.981 116 V CB 1.405 33.221 31.823 -0.012 0.000 0.990 116 V HN 0.906 nan 8.190 nan 0.000 0.474 117 N N 2.661 121.342 118.700 -0.031 0.000 2.531 117 N HA 0.190 4.930 4.740 0.001 0.000 0.223 117 N C 0.230 175.698 175.510 -0.070 0.000 1.023 117 N CA 0.502 53.522 53.050 -0.049 0.000 1.124 117 N CB 0.438 38.894 38.487 -0.052 0.000 1.427 117 N HN 0.897 nan 8.380 nan 0.000 0.558 118 E N -0.007 120.144 120.200 -0.081 0.000 2.222 118 E HA 0.381 4.732 4.350 0.001 0.000 0.267 118 E C -1.417 175.096 176.600 -0.144 0.000 0.884 118 E CA -0.670 55.669 56.400 -0.102 0.000 0.764 118 E CB 2.959 32.617 29.700 -0.070 0.000 1.169 118 E HN -0.079 nan 8.360 nan 0.000 0.413 119 V N 4.264 124.088 119.914 -0.150 0.000 2.347 119 V HA 0.131 4.252 4.120 0.001 0.000 0.280 119 V C 0.099 176.119 176.094 -0.124 0.000 1.021 119 V CA -0.783 61.431 62.300 -0.144 0.000 0.847 119 V CB 0.835 32.576 31.823 -0.135 0.000 0.990 119 V HN 0.763 nan 8.190 nan 0.000 0.444 120 N N 4.897 123.479 118.700 -0.196 0.000 2.727 120 N HA -0.254 4.487 4.740 0.001 0.000 0.249 120 N C 0.123 175.561 175.510 -0.120 0.000 1.048 120 N CA 0.999 53.950 53.050 -0.166 0.000 0.714 120 N CB -1.123 37.462 38.487 0.164 0.000 0.959 120 N HN 0.832 nan 8.380 nan 0.000 0.544 121 F N -2.627 117.292 119.950 -0.051 0.000 3.057 121 F HA -0.264 4.264 4.527 0.001 0.000 0.287 121 F C 0.633 176.350 175.800 -0.139 0.000 0.834 121 F CA 1.135 59.085 58.000 -0.082 0.000 1.147 121 F CB -1.327 37.631 39.000 -0.069 0.000 1.245 121 F HN 0.272 nan 8.300 nan 0.000 0.509 122 D N 0.166 120.529 120.400 -0.063 0.000 2.661 122 D HA 0.298 4.939 4.640 0.001 0.000 0.228 122 D C -0.410 175.822 176.300 -0.113 0.000 1.183 122 D CA -0.700 53.230 54.000 -0.117 0.000 0.844 122 D CB 1.733 42.388 40.800 -0.242 0.000 1.555 122 D HN 0.002 nan 8.370 nan 0.000 0.453 123 K N 1.845 122.181 120.400 -0.106 0.000 2.382 123 K HA 0.213 4.534 4.320 0.001 0.000 0.275 123 K C -2.197 174.280 176.600 -0.205 0.000 1.009 123 K CA -1.235 54.977 56.287 -0.125 0.000 0.970 123 K CB 0.370 32.819 32.500 -0.086 0.000 0.934 123 K HN 0.122 nan 8.250 nan 0.000 0.479 124 P HA -0.080 nan 4.420 nan 0.000 0.247 124 P C -0.714 176.126 177.300 -0.767 0.000 1.147 124 P CA 0.814 63.474 63.100 -0.733 0.000 0.964 124 P CB 0.152 31.379 31.700 -0.787 0.000 0.944 125 E N 2.335 122.253 120.200 -0.469 0.000 4.071 125 E HA 0.190 4.541 4.350 0.001 0.000 0.230 125 E C -0.771 175.897 176.600 0.113 0.000 1.138 125 E CA -0.299 56.083 56.400 -0.031 0.000 1.388 125 E CB -0.363 29.350 29.700 0.021 0.000 1.220 125 E HN 0.188 nan 8.360 nan 0.000 0.404 130 K N 0.589 120.983 120.400 -0.011 0.000 2.368 130 K HA 0.283 4.603 4.320 0.001 0.000 0.282 130 K C -0.239 176.359 176.600 -0.004 0.000 1.035 130 K CA -0.340 55.947 56.287 -0.000 0.000 0.973 130 K CB 0.571 33.071 32.500 -0.000 0.000 0.957 130 K HN 0.547 nan 8.250 nan 0.000 0.474 131 I N 2.881 123.470 120.570 0.032 0.000 2.754 131 I HA -0.138 4.033 4.170 0.001 0.000 0.285 131 I C 1.650 177.805 176.117 0.063 0.000 1.166 131 I CA 0.059 61.406 61.300 0.077 0.000 1.417 131 I CB 0.604 38.695 38.000 0.152 0.000 1.382 131 I HN 0.706 nan 8.210 nan 0.000 0.588 132 L N 6.213 127.443 121.223 0.011 0.000 2.127 132 L HA -0.176 4.164 4.340 0.001 0.000 0.211 132 L C 1.645 178.438 176.870 -0.129 0.000 1.089 132 L CA 1.667 56.433 54.840 -0.123 0.000 0.757 132 L CB -0.323 41.576 42.059 -0.266 0.000 0.899 132 L HN 0.694 nan 8.230 nan 0.000 0.434 133 F N 0.653 120.581 119.950 -0.037 0.000 2.449 133 F HA -0.188 4.340 4.527 0.001 0.000 0.299 133 F C 2.101 177.885 175.800 -0.026 0.000 1.092 133 F CA 1.383 59.364 58.000 -0.030 0.000 1.446 133 F CB -0.235 38.751 39.000 -0.023 0.000 1.084 133 F HN 0.413 nan 8.300 nan 0.000 0.567 134 E N -1.702 118.569 120.200 0.118 0.000 2.660 134 E HA 0.118 4.468 4.350 0.001 0.000 0.216 134 E C -0.100 176.511 176.600 0.019 0.000 0.986 134 E CA -0.316 56.121 56.400 0.063 0.000 1.037 134 E CB -0.124 29.612 29.700 0.060 0.000 1.041 134 E HN 0.112 nan 8.360 nan 0.000 0.480 135 N N 1.487 120.183 118.700 -0.006 0.000 2.467 135 N HA 0.152 4.893 4.740 0.001 0.000 0.262 135 N C -0.433 175.060 175.510 -0.028 0.000 1.234 135 N CA -0.296 52.739 53.050 -0.025 0.000 0.952 135 N CB 0.956 39.414 38.487 -0.048 0.000 1.158 135 N HN 0.190 nan 8.380 nan 0.000 0.463 136 L N 1.135 122.343 121.223 -0.025 0.000 2.418 136 L HA 0.284 4.624 4.340 0.001 0.000 0.265 136 L C 0.280 177.130 176.870 -0.033 0.000 1.143 136 L CA 0.104 54.930 54.840 -0.024 0.000 0.809 136 L CB 0.804 42.852 42.059 -0.019 0.000 1.124 136 L HN 0.676 nan 8.230 nan 0.000 0.456 137 T N 1.005 115.540 114.554 -0.033 0.000 3.241 137 T HA 0.506 4.856 4.350 0.001 0.000 0.387 137 T C -2.282 172.398 174.700 -0.035 0.000 1.451 137 T CA -1.464 60.614 62.100 -0.038 0.000 1.363 137 T CB 0.686 69.528 68.868 -0.045 0.000 1.074 137 T HN 0.312 nan 8.240 nan 0.000 0.598 138 P HA 0.226 nan 4.420 nan 0.000 0.271 138 P C 0.503 177.771 177.300 -0.054 0.000 1.233 138 P CA -0.692 62.384 63.100 -0.040 0.000 0.789 138 P CB 0.699 32.380 31.700 -0.032 0.000 0.951 139 L N 1.242 122.404 121.223 -0.101 0.000 2.855 139 L HA 0.017 4.357 4.340 0.001 0.000 0.257 139 L C -0.084 176.531 176.870 -0.425 0.000 1.206 139 L CA 0.109 54.827 54.840 -0.203 0.000 1.042 139 L CB -2.002 39.926 42.059 -0.218 0.000 1.321 139 L HN 0.628 nan 8.230 nan 0.000 0.417 140 H N -2.220 116.825 119.070 -0.041 0.000 3.115 140 H HA -0.057 4.500 4.556 0.001 0.000 0.298 140 H C -0.847 174.463 175.328 -0.030 0.000 0.859 140 H CA 0.336 56.359 56.048 -0.042 0.000 0.932 140 H CB -1.461 28.269 29.762 -0.052 0.000 1.548 140 H HN 0.281 nan 8.280 nan 0.000 0.323 141 A N 2.697 125.537 122.820 0.034 0.000 2.569 141 A HA 0.719 5.040 4.320 0.001 0.000 0.290 141 A C 0.936 178.535 177.584 0.026 0.000 1.136 141 A CA -0.488 51.556 52.037 0.012 0.000 0.710 141 A CB 0.856 19.834 19.000 -0.037 0.000 1.303 141 A HN 1.094 nan 8.150 nan 0.000 0.413 142 N N -1.219 117.495 118.700 0.023 0.000 2.884 142 N HA -0.188 4.553 4.740 0.001 0.000 0.210 142 N C 0.374 175.898 175.510 0.023 0.000 0.941 142 N CA 1.757 54.819 53.050 0.020 0.000 1.131 142 N CB -0.891 37.603 38.487 0.011 0.000 0.965 142 N HN 0.871 nan 8.380 nan 0.000 0.591 143 S N -0.005 115.709 115.700 0.023 0.000 2.525 143 S HA 0.694 5.165 4.470 0.001 0.000 0.290 143 S C -0.648 173.956 174.600 0.007 0.000 1.152 143 S CA -0.574 57.632 58.200 0.010 0.000 1.072 143 S CB 1.466 64.659 63.200 -0.012 0.000 1.027 143 S HN 0.309 nan 8.310 nan 0.000 0.500 144 R N 4.082 124.585 120.500 0.004 0.000 2.502 144 R HA 0.449 4.789 4.340 0.001 0.000 0.300 144 R C -0.259 176.032 176.300 -0.014 0.000 0.984 144 R CA -0.353 55.752 56.100 0.008 0.000 0.882 144 R CB 0.551 30.877 30.300 0.043 0.000 1.180 144 R HN 0.747 nan 8.270 nan 0.000 0.444 145 L N 3.107 124.286 121.223 -0.074 0.000 2.645 145 L HA 0.283 4.623 4.340 0.001 0.000 0.235 145 L C 0.597 177.574 176.870 0.178 0.000 1.150 145 L CA -0.160 54.583 54.840 -0.162 0.000 0.911 145 L CB -0.342 41.592 42.059 -0.209 0.000 1.077 145 L HN 0.590 nan 8.230 nan 0.000 0.438 146 R N 1.778 122.371 120.500 0.155 0.000 3.745 146 R HA -0.176 4.165 4.340 0.001 0.000 0.146 146 R C 0.387 176.783 176.300 0.160 0.000 0.603 146 R CA 0.379 56.564 56.100 0.141 0.000 0.844 146 R CB 0.259 30.631 30.300 0.120 0.000 1.082 146 R HN 0.147 nan 8.270 nan 0.000 0.279 153 S N -0.620 115.046 115.700 -0.057 0.000 2.718 153 S HA 0.668 5.139 4.470 0.001 0.000 0.292 153 S C 2.201 176.771 174.600 -0.051 0.000 1.125 153 S CA 0.614 58.782 58.200 -0.052 0.000 1.013 153 S CB 0.828 63.992 63.200 -0.060 0.000 1.192 153 S HN 0.731 nan 8.310 nan 0.000 0.535 154 T N -0.102 114.423 114.554 -0.049 0.000 2.833 154 T HA -0.005 4.346 4.350 0.001 0.000 0.269 154 T C 1.080 175.747 174.700 -0.054 0.000 1.054 154 T CA 1.224 63.297 62.100 -0.046 0.000 1.135 154 T CB -0.503 68.335 68.868 -0.050 0.000 0.869 154 T HN 0.675 nan 8.240 nan 0.000 0.466 155 E N 0.799 120.959 120.200 -0.067 0.000 2.512 155 E HA -0.007 4.344 4.350 0.001 0.000 0.195 155 E C 1.091 177.648 176.600 -0.072 0.000 1.083 155 E CA 0.512 56.869 56.400 -0.072 0.000 0.873 155 E CB 0.029 29.679 29.700 -0.083 0.000 0.897 155 E HN 0.605 nan 8.360 nan 0.000 0.514 156 D N -0.622 119.739 120.400 -0.065 0.000 2.480 156 D HA 0.020 4.661 4.640 0.001 0.000 0.243 156 D C 1.550 177.832 176.300 -0.030 0.000 1.120 156 D CA -0.137 53.828 54.000 -0.057 0.000 0.835 156 D CB 0.259 41.013 40.800 -0.077 0.000 1.204 156 D HN 0.058 nan 8.370 nan 0.000 0.513 157 L N 0.295 121.503 121.223 -0.026 0.000 1.970 157 L HA -0.135 4.205 4.340 0.001 0.000 0.212 157 L C 2.224 179.095 176.870 0.002 0.000 1.071 157 L CA 2.034 56.867 54.840 -0.013 0.000 0.751 157 L CB -0.606 41.445 42.059 -0.013 0.000 0.889 157 L HN 0.118 nan 8.230 nan 0.000 0.432 158 T N -1.285 113.273 114.554 0.006 0.000 2.995 158 T HA -0.035 4.316 4.350 0.001 0.000 0.269 158 T C 1.679 176.394 174.700 0.025 0.000 1.091 158 T CA 1.016 63.130 62.100 0.024 0.000 1.128 158 T CB -0.122 68.764 68.868 0.030 0.000 0.891 158 T HN 0.536 nan 8.240 nan 0.000 0.492 159 A N 1.593 124.420 122.820 0.012 0.000 1.930 159 A HA 0.028 4.349 4.320 0.001 0.000 0.217 159 A C 2.449 180.049 177.584 0.026 0.000 1.175 159 A CA 0.820 52.866 52.037 0.016 0.000 0.627 159 A CB -0.325 18.676 19.000 0.002 0.000 0.815 159 A HN 0.355 nan 8.150 nan 0.000 0.443 160 R N -0.391 120.122 120.500 0.022 0.000 2.193 160 R HA 0.022 4.363 4.340 0.001 0.000 0.213 160 R C 1.916 178.243 176.300 0.045 0.000 1.055 160 R CA 1.016 57.134 56.100 0.031 0.000 0.995 160 R CB -0.822 29.492 30.300 0.022 0.000 0.893 160 R HN 0.441 nan 8.270 nan 0.000 0.459 161 V N 1.305 121.249 119.914 0.049 0.000 2.427 161 V HA -0.208 3.912 4.120 0.001 0.000 0.248 161 V C 2.321 178.472 176.094 0.095 0.000 1.051 161 V CA 1.244 63.591 62.300 0.077 0.000 1.048 161 V CB -0.443 31.424 31.823 0.074 0.000 0.666 161 V HN 0.101 nan 8.190 nan 0.000 0.456 162 L N 0.136 121.398 121.223 0.064 0.000 2.043 162 L HA -0.229 4.112 4.340 0.001 0.000 0.212 162 L C 2.272 179.165 176.870 0.037 0.000 1.075 162 L CA 2.031 56.899 54.840 0.047 0.000 0.752 162 L CB -0.800 41.280 42.059 0.035 0.000 0.891 162 L HN 0.366 nan 8.230 nan 0.000 0.432 163 D N -0.717 119.709 120.400 0.043 0.000 2.178 163 D HA -0.160 4.481 4.640 0.001 0.000 0.201 163 D C 2.273 178.595 176.300 0.037 0.000 0.980 163 D CA 1.301 55.323 54.000 0.037 0.000 0.842 163 D CB -0.015 40.812 40.800 0.044 0.000 0.948 163 D HN 0.353 nan 8.370 nan 0.000 0.472 164 L N 0.364 121.634 121.223 0.078 0.000 2.162 164 L HA 0.024 4.365 4.340 0.001 0.000 0.205 164 L C 2.550 179.485 176.870 0.109 0.000 1.086 164 L CA 0.726 55.645 54.840 0.131 0.000 0.778 164 L CB -0.278 41.906 42.059 0.209 0.000 0.928 164 L HN -0.068 nan 8.230 nan 0.000 0.446 165 A N -0.182 122.674 122.820 0.059 0.000 1.861 165 A HA 0.022 4.343 4.320 0.001 0.000 0.212 165 A C 1.157 178.608 177.584 -0.222 0.000 1.199 165 A CA 1.161 53.058 52.037 -0.235 0.000 0.613 165 A CB -0.126 18.827 19.000 -0.079 0.000 0.846 165 A HN 0.407 nan 8.150 nan 0.000 0.446 166 S N -0.352 115.292 115.700 -0.093 0.000 2.511 166 S HA 0.501 4.971 4.470 0.001 0.000 0.233 166 S C -3.346 171.233 174.600 -0.034 0.000 1.104 166 S CA -1.324 56.834 58.200 -0.070 0.000 1.129 166 S CB 1.665 64.839 63.200 -0.044 0.000 1.159 166 S HN 0.176 nan 8.310 nan 0.000 0.451 167 P HA 0.365 nan 4.420 nan 0.000 0.276 167 P C -0.535 176.748 177.300 -0.028 0.000 1.235 167 P CA -0.299 62.793 63.100 -0.014 0.000 0.772 167 P CB 0.526 32.223 31.700 -0.004 0.000 0.871 168 I N 2.520 123.068 120.570 -0.035 0.000 2.342 168 I HA 0.379 4.550 4.170 0.001 0.000 0.291 168 I C 1.406 177.467 176.117 -0.093 0.000 1.010 168 I CA -0.088 61.165 61.300 -0.078 0.000 1.308 168 I CB 1.045 39.007 38.000 -0.062 0.000 1.400 168 I HN 0.357 nan 8.210 nan 0.000 0.488 169 G N 5.222 113.925 108.800 -0.163 0.000 2.642 169 G HA2 0.489 4.450 3.960 0.001 0.000 0.291 169 G HA3 0.489 4.450 3.960 0.001 0.000 0.291 169 G C -0.565 174.246 174.900 -0.149 0.000 1.345 169 G CA -0.811 44.217 45.100 -0.119 0.000 1.043 169 G HN 0.531 nan 8.290 nan 0.000 0.528 170 R N -0.462 119.985 120.500 -0.089 0.000 2.202 170 R HA 0.461 4.802 4.340 0.001 0.000 0.334 170 R C 0.701 176.958 176.300 -0.072 0.000 1.036 170 R CA 0.880 56.925 56.100 -0.091 0.000 0.878 170 R CB 0.643 30.903 30.300 -0.067 0.000 1.067 170 R HN 1.111 nan 8.270 nan 0.000 0.457 171 G N 2.685 111.422 108.800 -0.106 0.000 2.142 171 G HA2 -0.286 3.675 3.960 0.001 0.000 0.225 171 G HA3 -0.286 3.675 3.960 0.001 0.000 0.225 171 G C -0.106 174.708 174.900 -0.143 0.000 1.015 171 G CA -0.099 44.940 45.100 -0.101 0.000 0.716 171 G HN 0.573 nan 8.290 nan 0.000 0.508 172 Q N -0.438 119.214 119.800 -0.246 0.000 2.235 172 Q HA 0.549 4.889 4.340 0.001 0.000 0.250 172 Q C 0.587 176.436 176.000 -0.253 0.000 0.909 172 Q CA -0.857 54.716 55.803 -0.382 0.000 0.910 172 Q CB 0.573 28.948 28.738 -0.606 0.000 1.223 172 Q HN 0.312 nan 8.270 nan 0.000 0.432 173 R N 2.341 122.696 120.500 -0.242 0.000 2.419 173 R HA 0.275 4.616 4.340 0.001 0.000 0.305 173 R C -0.545 175.690 176.300 -0.109 0.000 1.242 173 R CA -0.052 55.861 56.100 -0.311 0.000 1.105 173 R CB 0.122 30.154 30.300 -0.446 0.000 1.116 173 R HN 0.720 nan 8.270 nan 0.000 0.523 174 G N 3.022 111.823 108.800 0.001 0.000 2.372 174 G HA2 0.391 4.352 3.960 0.001 0.000 0.283 174 G HA3 0.391 4.352 3.960 0.001 0.000 0.283 174 G C -1.002 174.070 174.900 0.287 0.000 1.177 174 G CA -0.523 44.640 45.100 0.105 0.000 0.842 174 G HN 0.518 nan 8.290 nan 0.000 0.503 175 L N 3.436 124.784 121.223 0.209 0.000 2.485 175 L HA 0.457 4.798 4.340 0.001 0.000 0.260 175 L C -0.436 176.450 176.870 0.026 0.000 0.998 175 L CA -0.687 54.249 54.840 0.160 0.000 0.883 175 L CB 0.964 43.150 42.059 0.212 0.000 1.196 175 L HN 0.415 nan 8.230 nan 0.000 0.443 176 I N 4.825 125.392 120.570 -0.006 0.000 2.452 176 I HA 0.137 4.308 4.170 0.001 0.000 0.287 176 I C -0.166 175.887 176.117 -0.107 0.000 1.079 176 I CA -0.339 60.928 61.300 -0.055 0.000 1.387 176 I CB 1.180 39.164 38.000 -0.027 0.000 1.404 176 I HN 0.216 nan 8.210 nan 0.000 0.522 177 V N 6.894 126.682 119.914 -0.209 0.000 2.348 177 V HA 0.676 4.797 4.120 0.001 0.000 0.270 177 V C 0.322 176.323 176.094 -0.155 0.000 1.037 177 V CA -0.302 61.855 62.300 -0.237 0.000 0.872 177 V CB 0.763 32.289 31.823 -0.494 0.000 1.002 177 V HN 0.843 nan 8.190 nan 0.000 0.464 178 A N 7.798 130.543 122.820 -0.125 0.000 2.488 178 A HA 0.928 5.248 4.320 0.001 0.000 0.298 178 A C -3.041 174.489 177.584 -0.091 0.000 1.044 178 A CA -1.440 50.548 52.037 -0.081 0.000 0.693 178 A CB 2.312 21.280 19.000 -0.054 0.000 1.272 178 A HN 0.546 nan 8.150 nan 0.000 0.402 179 P HA 0.533 nan 4.420 nan 0.000 0.279 179 P C -2.823 174.446 177.300 -0.052 0.000 1.276 179 P CA -1.697 61.361 63.100 -0.069 0.000 0.801 179 P CB -0.328 31.339 31.700 -0.056 0.000 1.127 180 P HA 0.109 nan 4.420 nan 0.000 0.272 180 P C -0.373 176.911 177.300 -0.027 0.000 1.223 180 P CA 0.085 63.160 63.100 -0.041 0.000 0.784 180 P CB -0.071 31.601 31.700 -0.047 0.000 0.923 181 K N 0.129 120.519 120.400 -0.016 0.000 3.071 181 K HA -0.187 4.134 4.320 0.001 0.000 0.265 181 K C 0.296 176.902 176.600 0.009 0.000 1.060 181 K CA 0.795 57.081 56.287 -0.000 0.000 0.767 181 K CB -2.488 30.009 32.500 -0.005 0.000 1.241 181 K HN 0.543 nan 8.250 nan 0.000 0.486 182 A N 0.116 122.942 122.820 0.009 0.000 2.564 182 A HA 0.548 4.869 4.320 0.001 0.000 0.279 182 A C 1.279 178.887 177.584 0.040 0.000 1.232 182 A CA 0.585 52.633 52.037 0.018 0.000 0.950 182 A CB 0.392 19.392 19.000 0.001 0.000 1.138 182 A HN 0.943 nan 8.150 nan 0.000 0.526 183 G N 1.148 109.979 108.800 0.051 0.000 2.176 183 G HA2 -0.352 3.609 3.960 0.001 0.000 0.252 183 G HA3 -0.352 3.609 3.960 0.001 0.000 0.252 183 G C 0.842 175.764 174.900 0.036 0.000 1.024 183 G CA 0.886 46.024 45.100 0.063 0.000 0.755 183 G HN 0.816 nan 8.290 nan 0.000 0.507 184 K N -1.425 118.986 120.400 0.017 0.000 2.062 184 K HA 0.035 4.356 4.320 0.001 0.000 0.205 184 K C 2.177 178.779 176.600 0.004 0.000 1.051 184 K CA 1.586 57.876 56.287 0.005 0.000 0.941 184 K CB -0.489 32.003 32.500 -0.013 0.000 0.719 184 K HN 0.180 nan 8.250 nan 0.000 0.440 185 T N 1.430 115.986 114.554 0.003 0.000 2.867 185 T HA -0.076 4.275 4.350 0.001 0.000 0.268 185 T C 1.728 176.432 174.700 0.005 0.000 1.057 185 T CA 1.382 63.484 62.100 0.003 0.000 1.136 185 T CB -0.118 68.752 68.868 0.002 0.000 0.874 185 T HN 0.237 nan 8.240 nan 0.000 0.466 186 M N 0.218 119.822 119.600 0.007 0.000 2.288 186 M HA 0.186 4.666 4.480 0.001 0.000 0.266 186 M C 1.982 178.283 176.300 0.003 0.000 1.072 186 M CA 1.014 56.314 55.300 -0.000 0.000 1.132 186 M CB -0.109 32.487 32.600 -0.006 0.000 1.386 186 M HN 0.168 nan 8.290 nan 0.000 0.432 187 L N 0.077 121.307 121.223 0.012 0.000 2.056 187 L HA -0.185 4.156 4.340 0.001 0.000 0.207 187 L C 2.013 178.891 176.870 0.014 0.000 1.078 187 L CA 1.240 56.090 54.840 0.015 0.000 0.749 187 L CB -0.214 41.858 42.059 0.022 0.000 0.901 187 L HN 0.340 nan 8.230 nan 0.000 0.433 188 L N -0.987 120.243 121.223 0.013 0.000 2.083 188 L HA -0.252 4.089 4.340 0.001 0.000 0.209 188 L C 2.592 179.472 176.870 0.017 0.000 1.083 188 L CA 1.260 56.110 54.840 0.017 0.000 0.752 188 L CB -0.462 41.606 42.059 0.016 0.000 0.899 188 L HN 0.346 nan 8.230 nan 0.000 0.433 189 Q N -0.484 119.322 119.800 0.010 0.000 2.124 189 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 189 Q C 1.998 178.001 176.000 0.005 0.000 0.977 189 Q CA 1.587 57.395 55.803 0.007 0.000 0.850 189 Q CB -0.202 28.535 28.738 -0.001 0.000 0.901 189 Q HN 0.555 nan 8.270 nan 0.000 0.429 190 N N 0.286 118.987 118.700 0.002 0.000 2.188 190 N HA -0.121 4.620 4.740 0.001 0.000 0.184 190 N C 1.759 177.276 175.510 0.011 0.000 1.018 190 N CA 0.553 53.602 53.050 -0.003 0.000 0.858 190 N CB 0.089 38.572 38.487 -0.007 0.000 0.989 190 N HN 0.173 nan 8.380 nan 0.000 0.426 191 I N 0.931 121.514 120.570 0.021 0.000 2.252 191 I HA -0.168 4.003 4.170 0.001 0.000 0.245 191 I C 2.455 178.597 176.117 0.043 0.000 1.102 191 I CA 0.818 62.137 61.300 0.033 0.000 1.385 191 I CB -0.329 37.689 38.000 0.030 0.000 1.064 191 I HN 0.124 nan 8.210 nan 0.000 0.414 192 A N 0.187 123.028 122.820 0.036 0.000 2.070 192 A HA -0.214 4.107 4.320 0.001 0.000 0.220 192 A C 2.260 179.872 177.584 0.048 0.000 1.159 192 A CA 1.451 53.513 52.037 0.041 0.000 0.656 192 A CB -0.433 18.587 19.000 0.033 0.000 0.800 192 A HN 0.491 nan 8.150 nan 0.000 0.453 193 Q N -0.786 119.037 119.800 0.038 0.000 2.089 193 Q HA -0.046 4.295 4.340 0.001 0.000 0.195 193 Q C 2.411 178.456 176.000 0.074 0.000 0.963 193 Q CA 1.486 57.313 55.803 0.041 0.000 0.834 193 Q CB -0.084 28.653 28.738 -0.001 0.000 0.906 193 Q HN 0.618 nan 8.270 nan 0.000 0.452 194 S N 0.836 116.574 115.700 0.062 0.000 2.382 194 S HA -0.105 4.366 4.470 0.001 0.000 0.228 194 S C 1.931 176.627 174.600 0.161 0.000 1.027 194 S CA 0.930 59.187 58.200 0.094 0.000 0.991 194 S CB -0.151 63.091 63.200 0.069 0.000 0.823 194 S HN 0.259 nan 8.310 nan 0.000 0.469 195 I N 1.509 122.170 120.570 0.152 0.000 2.202 195 I HA -0.169 4.001 4.170 0.001 0.000 0.242 195 I C 2.655 178.871 176.117 0.164 0.000 1.091 195 I CA 1.087 62.506 61.300 0.198 0.000 1.368 195 I CB -0.408 37.662 38.000 0.117 0.000 1.058 195 I HN 0.267 nan 8.210 nan 0.000 0.410 196 A N -0.293 122.598 122.820 0.119 0.000 1.969 196 A HA -0.256 4.065 4.320 0.001 0.000 0.218 196 A C 2.230 179.868 177.584 0.090 0.000 1.169 196 A CA 1.399 53.490 52.037 0.090 0.000 0.635 196 A CB -0.802 18.244 19.000 0.077 0.000 0.810 196 A HN 0.503 nan 8.150 nan 0.000 0.445 197 Y N 0.571 120.863 120.300 -0.012 0.000 2.176 197 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 197 Y C 2.119 177.963 175.900 -0.093 0.000 1.122 197 Y CA 2.170 60.245 58.100 -0.042 0.000 1.128 197 Y CB -0.285 38.154 38.460 -0.036 0.000 1.005 197 Y HN 0.416 nan 8.280 nan 0.000 0.509 198 N N -1.929 116.753 118.700 -0.030 0.000 2.333 198 N HA -0.058 4.682 4.740 0.001 0.000 0.178 198 N C -0.547 174.604 175.510 -0.598 0.000 1.018 198 N CA 0.506 53.344 53.050 -0.353 0.000 0.882 198 N CB 0.137 38.368 38.487 -0.426 0.000 0.984 198 N HN 0.247 nan 8.380 nan 0.000 0.434 199 H N -0.505 118.563 119.070 -0.004 0.000 2.541 199 H HA 0.202 4.759 4.556 0.001 0.000 0.246 199 H C -2.096 173.218 175.328 -0.023 0.000 1.341 199 H CA -1.492 54.547 56.048 -0.015 0.000 1.469 199 H CB 1.439 31.200 29.762 -0.002 0.000 1.472 199 H HN 0.172 nan 8.280 nan 0.000 0.503 200 P HA -0.099 nan 4.420 nan 0.000 0.229 200 P C 1.384 178.686 177.300 0.004 0.000 1.160 200 P CA 0.717 63.815 63.100 -0.004 0.000 0.777 200 P CB 0.402 32.072 31.700 -0.049 0.000 0.814 201 D N -1.153 119.261 120.400 0.023 0.000 2.269 201 D HA -0.086 4.555 4.640 0.001 0.000 0.208 201 D C 0.111 176.419 176.300 0.012 0.000 0.963 201 D CA 0.304 54.311 54.000 0.012 0.000 0.864 201 D CB -0.913 39.900 40.800 0.022 0.000 0.936 201 D HN 0.087 nan 8.370 nan 0.000 0.505 202 C N 1.318 120.637 119.300 0.032 0.000 2.601 202 C HA 0.319 4.780 4.460 0.001 0.000 0.409 202 C C 0.660 175.657 174.990 0.011 0.000 1.293 202 C CA -0.885 58.142 59.018 0.016 0.000 2.101 202 C CB 1.122 28.871 27.740 0.016 0.000 2.639 202 C HN 0.081 nan 8.230 nan 0.000 0.592 203 V N 5.276 125.195 119.914 0.007 0.000 2.339 203 V HA 0.148 4.269 4.120 0.001 0.000 0.261 203 V C 0.075 176.184 176.094 0.024 0.000 1.058 203 V CA -0.067 62.242 62.300 0.014 0.000 0.897 203 V CB 0.239 32.078 31.823 0.026 0.000 1.052 203 V HN 0.642 nan 8.190 nan 0.000 0.480 204 L N 6.991 128.231 121.223 0.029 0.000 2.290 204 L HA 0.602 4.942 4.340 0.001 0.000 0.284 204 L C -0.170 176.730 176.870 0.050 0.000 1.078 204 L CA 0.461 55.323 54.840 0.037 0.000 0.815 204 L CB 0.985 43.068 42.059 0.040 0.000 1.162 204 L HN 0.600 nan 8.230 nan 0.000 0.435 205 M N 5.638 125.273 119.600 0.059 0.000 2.151 205 M HA 0.412 4.892 4.480 0.001 0.000 0.290 205 M C -1.184 175.167 176.300 0.085 0.000 0.965 205 M CA -0.606 54.743 55.300 0.081 0.000 0.930 205 M CB 2.010 34.671 32.600 0.101 0.000 1.560 205 M HN 0.196 nan 8.290 nan 0.000 0.438 206 V N 4.178 124.140 119.914 0.079 0.000 2.383 206 V HA 0.472 4.592 4.120 0.001 0.000 0.275 206 V C -0.702 175.445 176.094 0.088 0.000 1.036 206 V CA -0.689 61.656 62.300 0.075 0.000 0.889 206 V CB 1.560 33.416 31.823 0.054 0.000 0.985 206 V HN 0.658 nan 8.190 nan 0.000 0.459 207 L N 7.156 128.438 121.223 0.099 0.000 2.325 207 L HA 0.662 5.002 4.340 0.001 0.000 0.281 207 L C -0.745 176.159 176.870 0.058 0.000 1.004 207 L CA 0.056 54.958 54.840 0.102 0.000 0.823 207 L CB 1.321 43.472 42.059 0.155 0.000 1.236 207 L HN 0.536 nan 8.230 nan 0.000 0.415 208 L N 5.894 127.142 121.223 0.042 0.000 2.334 208 L HA 0.487 4.827 4.340 0.001 0.000 0.276 208 L C 0.200 177.063 176.870 -0.011 0.000 1.014 208 L CA -0.652 54.194 54.840 0.010 0.000 0.815 208 L CB 1.863 43.932 42.059 0.016 0.000 1.268 208 L HN 0.577 nan 8.230 nan 0.000 0.428 209 I N 0.334 120.861 120.570 -0.071 0.000 3.443 209 I HA 0.101 4.272 4.170 0.001 0.000 0.277 209 I C 0.551 176.477 176.117 -0.318 0.000 1.169 209 I CA 0.919 62.120 61.300 -0.164 0.000 1.419 209 I CB 0.119 37.998 38.000 -0.202 0.000 1.331 209 I HN 0.631 nan 8.210 nan 0.000 0.458 210 D N 0.806 121.077 120.400 -0.214 0.000 2.650 210 D HA 0.122 4.762 4.640 0.001 0.000 0.265 210 D C 0.406 176.733 176.300 0.046 0.000 1.339 210 D CA 0.013 53.925 54.000 -0.148 0.000 0.816 210 D CB 0.928 41.618 40.800 -0.182 0.000 1.091 210 D HN 0.084 nan 8.370 nan 0.000 0.483 211 E N 0.476 120.706 120.200 0.050 0.000 2.409 211 E HA 0.187 4.538 4.350 0.001 0.000 0.257 211 E C 0.406 177.136 176.600 0.216 0.000 1.150 211 E CA -0.123 56.334 56.400 0.094 0.000 0.942 211 E CB 1.052 30.780 29.700 0.046 0.000 0.979 211 E HN 0.040 nan 8.360 nan 0.000 0.447 212 R N 1.801 122.431 120.500 0.217 0.000 2.539 212 R HA 0.087 4.428 4.340 0.001 0.000 0.275 212 R C -1.497 174.870 176.300 0.112 0.000 1.077 212 R CA -1.048 55.226 56.100 0.289 0.000 1.097 212 R CB -0.262 30.178 30.300 0.232 0.000 1.018 212 R HN 0.262 nan 8.270 nan 0.000 0.483 213 P HA -0.253 nan 4.420 nan 0.000 0.216 213 P C 0.705 178.013 177.300 0.012 0.000 1.153 213 P CA 1.347 64.437 63.100 -0.017 0.000 0.858 213 P CB 0.168 31.831 31.700 -0.061 0.000 0.789 214 E N -0.068 120.153 120.200 0.035 0.000 2.427 214 E HA -0.168 4.183 4.350 0.001 0.000 0.196 214 E C 1.495 178.111 176.600 0.027 0.000 1.028 214 E CA 1.073 57.490 56.400 0.028 0.000 0.864 214 E CB -0.339 29.381 29.700 0.033 0.000 0.813 214 E HN 0.204 nan 8.360 nan 0.000 0.514 215 E N 0.520 120.743 120.200 0.037 0.000 2.307 215 E HA 0.048 4.398 4.350 0.001 0.000 0.195 215 E C 1.916 178.529 176.600 0.022 0.000 0.975 215 E CA 0.332 56.750 56.400 0.030 0.000 0.878 215 E CB 0.251 29.975 29.700 0.039 0.000 0.845 215 E HN 0.077 nan 8.360 nan 0.000 0.488 216 V N 0.754 120.681 119.914 0.022 0.000 2.270 216 V HA -0.263 3.857 4.120 0.001 0.000 0.245 216 V C 2.446 178.545 176.094 0.008 0.000 1.043 216 V CA 2.268 64.576 62.300 0.015 0.000 1.014 216 V CB -1.064 30.765 31.823 0.009 0.000 0.645 216 V HN 0.530 nan 8.190 nan 0.000 0.447 217 T N -1.263 113.294 114.554 0.005 0.000 2.759 217 T HA -0.296 4.055 4.350 0.001 0.000 0.269 217 T C 1.735 176.437 174.700 0.003 0.000 1.042 217 T CA 1.858 63.959 62.100 0.001 0.000 1.140 217 T CB -0.405 68.463 68.868 -0.001 0.000 0.864 217 T HN 0.618 nan 8.240 nan 0.000 0.455 218 E N 0.474 120.677 120.200 0.005 0.000 2.051 218 E HA -0.176 4.174 4.350 0.001 0.000 0.192 218 E C 2.202 178.805 176.600 0.004 0.000 0.991 218 E CA 1.246 57.648 56.400 0.003 0.000 0.799 218 E CB -0.272 29.430 29.700 0.004 0.000 0.748 218 E HN 0.428 nan 8.360 nan 0.000 0.449 219 M N 0.827 120.432 119.600 0.008 0.000 2.159 219 M HA -0.193 4.288 4.480 0.001 0.000 0.263 219 M C 1.936 178.243 176.300 0.011 0.000 1.063 219 M CA 1.753 57.059 55.300 0.011 0.000 1.110 219 M CB -0.004 32.605 32.600 0.015 0.000 1.374 219 M HN 0.108 nan 8.290 nan 0.000 0.411 220 Q N -0.611 119.194 119.800 0.008 0.000 2.119 220 Q HA -0.093 4.248 4.340 0.001 0.000 0.201 220 Q C 0.810 176.812 176.000 0.004 0.000 0.972 220 Q CA 1.176 56.982 55.803 0.005 0.000 0.847 220 Q CB -0.034 28.703 28.738 -0.000 0.000 0.903 220 Q HN 0.474 nan 8.270 nan 0.000 0.433 221 R N -0.083 120.418 120.500 0.003 0.000 3.179 221 R HA 0.248 4.589 4.340 0.001 0.000 0.317 221 R C 0.448 176.749 176.300 0.002 0.000 1.331 221 R CA 0.001 56.102 56.100 0.001 0.000 1.184 221 R CB 0.430 30.730 30.300 -0.001 0.000 1.408 221 R HN 0.130 nan 8.270 nan 0.000 0.598 222 L N -1.698 119.528 121.223 0.005 0.000 4.117 222 L HA 0.214 4.555 4.340 0.001 0.000 0.403 222 L C -0.980 175.896 176.870 0.010 0.000 1.051 222 L CA 0.068 54.911 54.840 0.004 0.000 1.521 222 L CB 1.433 43.492 42.059 0.000 0.000 1.894 222 L HN -0.111 nan 8.230 nan 0.000 0.632 223 V N 1.522 121.445 119.914 0.014 0.000 2.384 223 V HA 0.271 4.392 4.120 0.001 0.000 0.287 223 V C -0.011 176.096 176.094 0.022 0.000 1.020 223 V CA -0.656 61.656 62.300 0.021 0.000 0.850 223 V CB 1.437 33.274 31.823 0.024 0.000 0.987 223 V HN 0.076 nan 8.190 nan 0.000 0.436 224 K N 4.416 124.832 120.400 0.027 0.000 2.110 224 K HA 0.522 4.843 4.320 0.001 0.000 0.260 224 K C 0.609 177.223 176.600 0.023 0.000 1.126 224 K CA 0.341 56.642 56.287 0.024 0.000 1.005 224 K CB 0.284 32.801 32.500 0.030 0.000 1.336 224 K HN 0.998 nan 8.250 nan 0.000 0.369 225 G N 1.663 110.475 108.800 0.020 0.000 2.455 225 G HA2 -0.042 3.918 3.960 0.001 0.000 0.223 225 G HA3 -0.042 3.918 3.960 0.001 0.000 0.223 225 G C -1.642 173.274 174.900 0.026 0.000 1.226 225 G CA -0.728 44.386 45.100 0.023 0.000 0.948 225 G HN 0.391 nan 8.290 nan 0.000 0.478 226 E N 0.079 120.303 120.200 0.039 0.000 2.114 226 E HA 0.541 4.892 4.350 0.001 0.000 0.266 226 E C -1.016 175.615 176.600 0.050 0.000 0.896 226 E CA -0.489 55.938 56.400 0.045 0.000 0.750 226 E CB 1.619 31.361 29.700 0.071 0.000 1.121 226 E HN 0.277 nan 8.360 nan 0.000 0.413 227 V N 5.542 125.476 119.914 0.033 0.000 2.318 227 V HA 0.218 4.339 4.120 0.001 0.000 0.271 227 V C -0.166 175.947 176.094 0.030 0.000 1.030 227 V CA -0.647 61.675 62.300 0.036 0.000 0.844 227 V CB 1.224 33.061 31.823 0.024 0.000 1.015 227 V HN 0.453 nan 8.190 nan 0.000 0.460 228 V N 4.649 124.602 119.914 0.065 0.000 2.370 228 V HA 0.872 4.992 4.120 0.001 0.000 0.283 228 V C 0.325 176.468 176.094 0.082 0.000 1.023 228 V CA -0.254 62.093 62.300 0.078 0.000 0.857 228 V CB 1.384 33.325 31.823 0.196 0.000 0.985 228 V HN 0.958 nan 8.190 nan 0.000 0.443 229 A N 3.880 126.735 122.820 0.058 0.000 2.515 229 A HA 0.927 5.248 4.320 0.001 0.000 0.298 229 A C -0.342 177.277 177.584 0.059 0.000 1.059 229 A CA -0.502 51.566 52.037 0.052 0.000 0.698 229 A CB 2.145 21.163 19.000 0.031 0.000 1.289 229 A HN 1.002 nan 8.150 nan 0.000 0.404 230 S N 0.517 116.262 115.700 0.075 0.000 2.532 230 S HA 0.768 5.239 4.470 0.001 0.000 0.299 230 S C 0.043 174.702 174.600 0.098 0.000 1.105 230 S CA 0.039 58.307 58.200 0.113 0.000 1.018 230 S CB 1.203 64.552 63.200 0.249 0.000 1.021 230 S HN 1.485 nan 8.310 nan 0.000 0.483 231 T N -0.381 114.215 114.554 0.070 0.000 2.824 231 T HA 0.463 4.814 4.350 0.001 0.000 0.277 231 T C 0.797 175.559 174.700 0.103 0.000 0.975 231 T CA -0.815 61.299 62.100 0.023 0.000 0.966 231 T CB 0.033 68.823 68.868 -0.131 0.000 1.054 231 T HN 0.845 nan 8.240 nan 0.000 0.533 232 F N -0.841 119.141 119.950 0.054 0.000 2.816 232 F HA 0.283 4.810 4.527 0.001 0.000 0.302 232 F C 1.105 176.949 175.800 0.074 0.000 1.178 232 F CA -0.328 57.713 58.000 0.069 0.000 1.421 232 F CB -0.763 38.244 39.000 0.012 0.000 1.114 232 F HN 0.349 nan 8.300 nan 0.000 0.573 233 D N 0.627 120.839 120.400 -0.313 0.000 2.289 233 D HA -0.018 4.623 4.640 0.001 0.000 0.207 233 D C 0.417 176.667 176.300 -0.083 0.000 0.966 233 D CA 0.603 54.462 54.000 -0.236 0.000 0.868 233 D CB 0.117 40.735 40.800 -0.304 0.000 0.943 233 D HN 0.496 nan 8.370 nan 0.000 0.514 234 E N 0.849 121.023 120.200 -0.043 0.000 2.283 234 E HA 0.276 4.627 4.350 0.001 0.000 0.267 234 E C -2.249 174.244 176.600 -0.179 0.000 1.045 234 E CA -1.752 54.589 56.400 -0.098 0.000 0.884 234 E CB 1.046 30.680 29.700 -0.109 0.000 1.106 234 E HN -0.089 nan 8.360 nan 0.000 0.408 235 P HA -0.018 nan 4.420 nan 0.000 0.271 235 P C -0.311 176.732 177.300 -0.429 0.000 1.244 235 P CA -0.000 62.968 63.100 -0.219 0.000 0.793 235 P CB 0.562 32.169 31.700 -0.156 0.000 0.984 236 A N 0.890 123.566 122.820 -0.240 0.000 2.015 236 A HA -0.146 4.175 4.320 0.001 0.000 0.219 236 A C 2.027 179.466 177.584 -0.241 0.000 1.163 236 A CA 1.979 53.905 52.037 -0.186 0.000 0.646 236 A CB -1.654 17.326 19.000 -0.034 0.000 0.806 236 A HN 0.605 nan 8.150 nan 0.000 0.448 237 S N -0.441 115.133 115.700 -0.210 0.000 2.453 237 S HA -0.115 4.356 4.470 0.001 0.000 0.231 237 S C 1.844 176.324 174.600 -0.200 0.000 1.005 237 S CA 1.109 59.202 58.200 -0.178 0.000 0.949 237 S CB -0.240 62.891 63.200 -0.115 0.000 0.774 237 S HN 0.560 nan 8.310 nan 0.000 0.510 238 R N 1.257 121.590 120.500 -0.279 0.000 2.075 238 R HA -0.003 4.338 4.340 0.001 0.000 0.226 238 R C 2.166 178.362 176.300 -0.174 0.000 1.114 238 R CA 1.549 57.509 56.100 -0.232 0.000 0.972 238 R CB -0.674 29.469 30.300 -0.261 0.000 0.869 238 R HN 0.509 nan 8.270 nan 0.000 0.437 239 H N -0.427 118.582 119.070 -0.101 0.000 2.387 239 H HA -0.061 4.496 4.556 0.001 0.000 0.299 239 H C 2.064 177.278 175.328 -0.191 0.000 1.090 239 H CA 1.673 57.648 56.048 -0.121 0.000 1.332 239 H CB -0.492 29.194 29.762 -0.127 0.000 1.386 239 H HN 0.075 nan 8.280 nan 0.000 0.516 240 V N 1.241 121.033 119.914 -0.203 0.000 2.343 240 V HA -0.227 3.894 4.120 0.001 0.000 0.247 240 V C 2.721 178.733 176.094 -0.137 0.000 1.051 240 V CA 1.722 63.793 62.300 -0.381 0.000 1.036 240 V CB -0.468 31.016 31.823 -0.564 0.000 0.654 240 V HN 0.394 nan 8.190 nan 0.000 0.451 241 Q N 0.093 119.839 119.800 -0.090 0.000 2.020 241 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 241 Q C 2.340 178.343 176.000 0.004 0.000 0.982 241 Q CA 2.688 58.471 55.803 -0.033 0.000 0.838 241 Q CB -0.147 28.572 28.738 -0.033 0.000 0.899 241 Q HN 0.693 nan 8.270 nan 0.000 0.423 242 V N -1.866 118.073 119.914 0.041 0.000 2.515 242 V HA -0.072 4.049 4.120 0.001 0.000 0.250 242 V C 2.160 178.312 176.094 0.097 0.000 1.058 242 V CA 1.674 64.041 62.300 0.111 0.000 1.064 242 V CB -1.281 30.639 31.823 0.162 0.000 0.675 242 V HN 0.335 nan 8.190 nan 0.000 0.461 243 A N 0.203 123.063 122.820 0.065 0.000 1.968 243 A HA -0.113 4.208 4.320 0.001 0.000 0.217 243 A C 2.157 179.887 177.584 0.243 0.000 1.169 243 A CA 1.657 53.752 52.037 0.097 0.000 0.638 243 A CB -0.499 18.441 19.000 -0.100 0.000 0.812 243 A HN 0.599 nan 8.150 nan 0.000 0.446 244 E N -0.923 119.372 120.200 0.158 0.000 2.107 244 E HA -0.094 4.257 4.350 0.001 0.000 0.191 244 E C 2.035 178.670 176.600 0.059 0.000 0.982 244 E CA 1.111 57.607 56.400 0.160 0.000 0.809 244 E CB -0.141 29.626 29.700 0.112 0.000 0.756 244 E HN 0.411 nan 8.360 nan 0.000 0.459 245 M N -0.272 119.291 119.600 -0.062 0.000 2.132 245 M HA -0.095 4.386 4.480 0.001 0.000 0.263 245 M C 2.204 178.365 176.300 -0.232 0.000 1.065 245 M CA 0.926 56.053 55.300 -0.288 0.000 1.122 245 M CB -0.643 31.531 32.600 -0.709 0.000 1.365 245 M HN 0.087 nan 8.290 nan 0.000 0.411 246 V N 0.218 120.102 119.914 -0.049 0.000 2.307 246 V HA -0.236 3.884 4.120 0.001 0.000 0.245 246 V C 2.375 178.518 176.094 0.082 0.000 1.045 246 V CA 1.472 63.823 62.300 0.085 0.000 1.024 246 V CB -0.583 31.369 31.823 0.216 0.000 0.651 246 V HN 0.289 nan 8.190 nan 0.000 0.449 247 I N -0.238 120.412 120.570 0.132 0.000 2.252 247 I HA -0.144 4.027 4.170 0.001 0.000 0.245 247 I C 2.404 178.509 176.117 -0.020 0.000 1.102 247 I CA 1.586 62.889 61.300 0.005 0.000 1.385 247 I CB -0.300 37.705 38.000 0.008 0.000 1.064 247 I HN 0.239 nan 8.210 nan 0.000 0.414 248 E N 0.311 120.527 120.200 0.026 0.000 2.208 248 E HA -0.226 4.125 4.350 0.001 0.000 0.193 248 E C 2.081 178.684 176.600 0.005 0.000 0.988 248 E CA 0.695 57.113 56.400 0.030 0.000 0.828 248 E CB -0.198 29.531 29.700 0.049 0.000 0.763 248 E HN 0.510 nan 8.360 nan 0.000 0.478 249 K N 0.578 120.973 120.400 -0.009 0.000 2.062 249 K HA -0.012 4.308 4.320 0.001 0.000 0.205 249 K C 2.050 178.667 176.600 0.029 0.000 1.051 249 K CA 0.975 57.271 56.287 0.015 0.000 0.941 249 K CB 0.015 32.532 32.500 0.030 0.000 0.719 249 K HN 0.021 nan 8.250 nan 0.000 0.440 250 A N 1.470 124.296 122.820 0.010 0.000 1.972 250 A HA -0.154 4.167 4.320 0.001 0.000 0.219 250 A C 1.876 179.429 177.584 -0.052 0.000 1.169 250 A CA 1.474 53.504 52.037 -0.011 0.000 0.635 250 A CB -0.272 18.704 19.000 -0.039 0.000 0.810 250 A HN 0.285 nan 8.150 nan 0.000 0.446 251 K N -1.005 119.345 120.400 -0.083 0.000 2.097 251 K HA -0.104 4.216 4.320 0.001 0.000 0.206 251 K C 2.270 178.824 176.600 -0.076 0.000 1.049 251 K CA 1.481 57.693 56.287 -0.126 0.000 0.933 251 K CB -0.106 32.291 32.500 -0.172 0.000 0.717 251 K HN 0.258 nan 8.250 nan 0.000 0.442 252 R N 0.673 121.156 120.500 -0.029 0.000 2.148 252 R HA 0.048 4.389 4.340 0.001 0.000 0.223 252 R C 1.822 178.117 176.300 -0.008 0.000 1.088 252 R CA 0.792 56.879 56.100 -0.022 0.000 0.985 252 R CB 0.015 30.322 30.300 0.012 0.000 0.880 252 R HN 0.126 nan 8.270 nan 0.000 0.451 253 L N -1.028 120.224 121.223 0.048 0.000 2.209 253 L HA -0.020 4.321 4.340 0.001 0.000 0.207 253 L C 1.866 178.776 176.870 0.067 0.000 1.094 253 L CA 0.357 55.270 54.840 0.123 0.000 0.790 253 L CB -0.123 42.017 42.059 0.136 0.000 0.932 253 L HN -0.017 nan 8.230 nan 0.000 0.447 254 V N 0.057 119.968 119.914 -0.005 0.000 2.626 254 V HA -0.231 3.890 4.120 0.001 0.000 0.252 254 V C 2.148 178.211 176.094 -0.052 0.000 1.067 254 V CA 1.499 63.781 62.300 -0.031 0.000 1.081 254 V CB -0.492 31.289 31.823 -0.070 0.000 0.686 254 V HN 0.461 nan 8.190 nan 0.000 0.468 255 E N -0.785 119.349 120.200 -0.110 0.000 2.333 255 E HA -0.174 4.177 4.350 0.001 0.000 0.198 255 E C 1.204 177.657 176.600 -0.244 0.000 1.007 255 E CA 0.744 57.031 56.400 -0.189 0.000 0.845 255 E CB -0.086 29.458 29.700 -0.260 0.000 0.766 255 E HN 0.678 nan 8.360 nan 0.000 0.507 256 H N -0.081 118.997 119.070 0.013 0.000 2.488 256 H HA 0.211 4.767 4.556 0.001 0.000 0.294 256 H C 0.037 175.370 175.328 0.010 0.000 1.088 256 H CA 0.065 56.124 56.048 0.018 0.000 1.086 256 H CB 0.418 30.201 29.762 0.035 0.000 1.569 256 H HN -0.035 nan 8.280 nan 0.000 0.548 257 K N 0.046 120.491 120.400 0.076 0.000 3.274 257 K HA -0.213 4.108 4.320 0.001 0.000 0.300 257 K C -0.064 176.558 176.600 0.037 0.000 1.230 257 K CA 0.571 56.883 56.287 0.042 0.000 0.884 257 K CB -1.195 31.330 32.500 0.041 0.000 1.242 257 K HN 0.337 nan 8.250 nan 0.000 0.467 258 K N 1.200 121.631 120.400 0.052 0.000 2.205 258 K HA 0.124 4.444 4.320 0.001 0.000 0.279 258 K C -0.466 176.139 176.600 0.008 0.000 1.027 258 K CA -0.510 55.798 56.287 0.035 0.000 0.932 258 K CB 0.720 33.255 32.500 0.058 0.000 1.032 258 K HN 0.042 nan 8.250 nan 0.000 0.466 259 D N 3.215 123.612 120.400 -0.005 0.000 2.483 259 D HA 0.064 4.704 4.640 0.001 0.000 0.220 259 D C -0.276 176.009 176.300 -0.025 0.000 1.173 259 D CA -0.022 53.964 54.000 -0.025 0.000 0.964 259 D CB 0.571 41.349 40.800 -0.036 0.000 1.046 259 D HN 0.075 nan 8.370 nan 0.000 0.517 260 V N 2.931 122.829 119.914 -0.025 0.000 2.649 260 V HA 0.317 4.438 4.120 0.001 0.000 0.292 260 V C 0.754 176.828 176.094 -0.033 0.000 1.055 260 V CA -0.467 61.822 62.300 -0.018 0.000 1.023 260 V CB 1.436 33.252 31.823 -0.012 0.000 0.992 260 V HN 0.268 nan 8.190 nan 0.000 0.480 261 I N 5.111 125.671 120.570 -0.016 0.000 2.436 261 I HA 0.508 4.678 4.170 0.001 0.000 0.289 261 I C -0.642 175.481 176.117 0.009 0.000 1.010 261 I CA -0.397 60.893 61.300 -0.017 0.000 1.098 261 I CB 1.936 39.927 38.000 -0.015 0.000 1.266 261 I HN 0.401 nan 8.210 nan 0.000 0.434 262 I N 6.672 127.247 120.570 0.009 0.000 2.404 262 I HA 0.360 4.531 4.170 0.001 0.000 0.293 262 I C -0.545 175.619 176.117 0.078 0.000 0.992 262 I CA -0.582 60.751 61.300 0.055 0.000 1.149 262 I CB 1.878 39.910 38.000 0.054 0.000 1.315 262 I HN 0.367 nan 8.210 nan 0.000 0.446 263 L N 7.302 128.579 121.223 0.090 0.000 2.371 263 L HA 0.342 4.683 4.340 0.001 0.000 0.262 263 L C -0.558 176.372 176.870 0.101 0.000 1.054 263 L CA -0.605 54.286 54.840 0.085 0.000 0.924 263 L CB 1.078 43.173 42.059 0.059 0.000 1.295 263 L HN 0.427 nan 8.230 nan 0.000 0.441 264 L N 2.291 123.595 121.223 0.134 0.000 2.319 264 L HA 0.338 4.678 4.340 0.001 0.000 0.280 264 L C -0.142 176.752 176.870 0.039 0.000 1.099 264 L CA 0.315 55.225 54.840 0.116 0.000 0.828 264 L CB 0.880 43.056 42.059 0.195 0.000 1.150 264 L HN 0.281 nan 8.230 nan 0.000 0.442 265 D N 3.409 123.812 120.400 0.006 0.000 2.359 265 D HA 0.356 4.996 4.640 0.001 0.000 0.230 265 D C -0.606 175.650 176.300 -0.073 0.000 1.118 265 D CA 0.433 54.417 54.000 -0.027 0.000 0.844 265 D CB 0.527 41.316 40.800 -0.018 0.000 1.059 265 D HN 0.673 nan 8.370 nan 0.000 0.493 266 S N 2.622 118.264 115.700 -0.097 0.000 3.516 266 S HA -0.222 4.249 4.470 0.001 0.000 0.562 266 S C 0.994 175.472 174.600 -0.203 0.000 0.655 266 S CA 0.043 58.156 58.200 -0.145 0.000 1.400 266 S CB -1.076 62.045 63.200 -0.132 0.000 0.946 266 S HN 0.649 nan 8.310 nan 0.000 0.871 267 I N 3.399 123.797 120.570 -0.286 0.000 2.546 267 I HA -0.068 4.103 4.170 0.001 0.000 0.255 267 I C 2.308 178.151 176.117 -0.457 0.000 1.163 267 I CA 2.389 63.422 61.300 -0.446 0.000 1.457 267 I CB -0.287 37.273 38.000 -0.733 0.000 1.092 267 I HN 0.821 nan 8.210 nan 0.000 0.434 268 T N -0.251 114.096 114.554 -0.345 0.000 2.777 268 T HA -0.159 4.192 4.350 0.001 0.000 0.266 268 T C 2.148 176.757 174.700 -0.151 0.000 1.040 268 T CA 1.253 63.215 62.100 -0.231 0.000 1.141 268 T CB -0.191 68.589 68.868 -0.147 0.000 0.868 268 T HN 0.233 nan 8.240 nan 0.000 0.444 269 R N 0.357 120.766 120.500 -0.151 0.000 2.193 269 R HA 0.150 4.491 4.340 0.001 0.000 0.213 269 R C 2.254 178.474 176.300 -0.134 0.000 1.055 269 R CA 0.427 56.448 56.100 -0.131 0.000 0.995 269 R CB -0.923 29.286 30.300 -0.151 0.000 0.893 269 R HN 0.412 nan 8.270 nan 0.000 0.459 270 L N 0.486 121.618 121.223 -0.151 0.000 2.044 270 L HA 0.059 4.400 4.340 0.001 0.000 0.205 270 L C 2.043 178.946 176.870 0.055 0.000 1.075 270 L CA 1.886 56.664 54.840 -0.103 0.000 0.747 270 L CB -0.688 41.255 42.059 -0.192 0.000 0.903 270 L HN 0.068 nan 8.230 nan 0.000 0.435 271 A N -0.682 122.141 122.820 0.005 0.000 2.067 271 A HA -0.181 4.139 4.320 0.001 0.000 0.219 271 A C 2.486 180.146 177.584 0.128 0.000 1.158 271 A CA 1.421 53.528 52.037 0.116 0.000 0.661 271 A CB -0.621 18.408 19.000 0.048 0.000 0.801 271 A HN 0.488 nan 8.150 nan 0.000 0.452 272 R N -0.603 119.928 120.500 0.051 0.000 2.092 272 R HA -0.047 4.294 4.340 0.001 0.000 0.231 272 R C 2.294 178.635 176.300 0.067 0.000 1.119 272 R CA 1.178 57.307 56.100 0.047 0.000 0.970 272 R CB -0.255 30.047 30.300 0.004 0.000 0.864 272 R HN 0.478 nan 8.270 nan 0.000 0.440 273 A N -0.430 122.425 122.820 0.059 0.000 1.929 273 A HA -0.134 4.187 4.320 0.001 0.000 0.216 273 A C 1.738 179.319 177.584 -0.003 0.000 1.176 273 A CA 0.877 52.939 52.037 0.042 0.000 0.628 273 A CB -0.572 18.465 19.000 0.063 0.000 0.816 273 A HN 0.374 nan 8.150 nan 0.000 0.444 274 Y N 0.769 121.092 120.300 0.038 0.000 2.274 274 Y HA -0.196 4.354 4.550 0.001 0.000 0.290 274 Y C 2.431 178.361 175.900 0.050 0.000 1.145 274 Y CA 1.450 59.576 58.100 0.043 0.000 1.203 274 Y CB -0.316 38.173 38.460 0.047 0.000 0.984 274 Y HN 0.557 nan 8.280 nan 0.000 0.533 275 N N -0.075 118.745 118.700 0.200 0.000 2.244 275 N HA -0.135 4.605 4.740 0.001 0.000 0.183 275 N C 0.876 176.441 175.510 0.092 0.000 1.016 275 N CA 1.741 54.870 53.050 0.133 0.000 0.866 275 N CB -0.066 38.486 38.487 0.107 0.000 0.980 275 N HN 0.379 nan 8.380 nan 0.000 0.430 276 T N -2.201 112.396 114.554 0.073 0.000 3.243 276 T HA 0.300 4.651 4.350 0.001 0.000 0.264 276 T C 0.769 175.487 174.700 0.030 0.000 1.000 276 T CA -0.433 61.695 62.100 0.046 0.000 0.901 276 T CB 0.737 69.628 68.868 0.038 0.000 1.083 276 T HN 0.012 nan 8.240 nan 0.000 0.559 277 V N -0.216 119.723 119.914 0.042 0.000 3.332 277 V HA 0.373 4.494 4.120 0.001 0.000 0.263 277 V C 0.133 176.260 176.094 0.055 0.000 1.562 277 V CA -0.036 62.278 62.300 0.023 0.000 1.040 277 V CB 1.073 32.878 31.823 -0.030 0.000 0.857 277 V HN 0.391 nan 8.190 nan 0.000 0.428 278 V N 3.647 123.616 119.914 0.091 0.000 2.461 278 V HA 0.362 4.483 4.120 0.001 0.000 0.275 278 V C -1.936 174.199 176.094 0.069 0.000 1.047 278 V CA -1.318 61.041 62.300 0.100 0.000 0.955 278 V CB 0.859 32.765 31.823 0.139 0.000 0.988 278 V HN 0.427 nan 8.190 nan 0.000 0.471 279 P HA 0.188 nan 4.420 nan 0.000 0.264 279 P C -0.021 177.303 177.300 0.039 0.000 1.183 279 P CA 0.186 63.310 63.100 0.041 0.000 0.763 279 P CB 0.433 32.154 31.700 0.035 0.000 0.807 285 L N 2.946 124.180 121.223 0.020 0.000 2.260 285 L HA 0.765 5.106 4.340 0.001 0.000 0.289 285 L C 0.257 177.140 176.870 0.023 0.000 1.057 285 L CA 0.739 55.593 54.840 0.024 0.000 0.811 285 L CB 1.304 43.378 42.059 0.025 0.000 1.184 285 L HN 0.416 nan 8.230 nan 0.000 0.429 286 T N 2.033 116.603 114.554 0.026 0.000 2.815 286 T HA 0.537 4.888 4.350 0.001 0.000 0.289 286 T C 0.877 175.595 174.700 0.030 0.000 1.000 286 T CA 0.086 62.202 62.100 0.026 0.000 0.958 286 T CB 0.798 69.680 68.868 0.024 0.000 0.944 286 T HN 0.914 nan 8.240 nan 0.000 0.442 287 G N 2.794 111.611 108.800 0.028 0.000 2.155 287 G HA2 -0.031 3.929 3.960 0.001 0.000 0.257 287 G HA3 -0.031 3.929 3.960 0.001 0.000 0.257 287 G C 1.143 176.061 174.900 0.030 0.000 0.983 287 G CA 0.824 45.942 45.100 0.029 0.000 0.676 287 G HN 2.164 nan 8.290 nan 0.000 0.528 288 G N -2.621 106.197 108.800 0.030 0.000 2.278 288 G HA2 0.069 4.029 3.960 0.001 0.000 0.210 288 G HA3 0.069 4.029 3.960 0.001 0.000 0.210 288 G C 0.701 175.624 174.900 0.038 0.000 1.000 288 G CA 0.855 45.974 45.100 0.031 0.000 0.635 288 G HN 1.868 nan 8.290 nan 0.000 0.495 289 V N 2.342 122.283 119.914 0.044 0.000 2.509 289 V HA 0.517 4.637 4.120 0.001 0.000 0.284 289 V C 0.300 176.424 176.094 0.050 0.000 1.047 289 V CA -0.433 61.899 62.300 0.054 0.000 0.952 289 V CB 1.588 33.450 31.823 0.066 0.000 0.988 289 V HN 0.370 nan 8.190 nan 0.000 0.469 290 D N 4.373 124.806 120.400 0.055 0.000 2.362 290 D HA 0.214 4.854 4.640 0.001 0.000 0.242 290 D C 0.923 177.252 176.300 0.049 0.000 1.132 290 D CA 0.473 54.502 54.000 0.049 0.000 0.907 290 D CB 2.164 42.997 40.800 0.054 0.000 1.195 290 D HN 0.667 nan 8.370 nan 0.000 0.429 291 A N 4.067 126.909 122.820 0.036 0.000 1.877 291 A HA -0.207 4.114 4.320 0.001 0.000 0.216 291 A C 1.896 179.501 177.584 0.034 0.000 1.186 291 A CA 1.408 53.462 52.037 0.029 0.000 0.620 291 A CB -0.512 18.497 19.000 0.015 0.000 0.822 291 A HN 0.805 nan 8.150 nan 0.000 0.443 292 N N -0.352 118.370 118.700 0.036 0.000 2.457 292 N HA 0.054 4.795 4.740 0.001 0.000 0.180 292 N C 1.846 177.412 175.510 0.093 0.000 1.050 292 N CA 0.528 53.606 53.050 0.046 0.000 0.906 292 N CB -0.139 38.364 38.487 0.027 0.000 0.968 292 N HN 0.500 nan 8.380 nan 0.000 0.445 293 A N 1.227 124.103 122.820 0.093 0.000 1.917 293 A HA -0.145 4.176 4.320 0.001 0.000 0.219 293 A C 1.924 179.580 177.584 0.120 0.000 1.182 293 A CA 1.231 53.341 52.037 0.121 0.000 0.633 293 A CB -0.601 18.469 19.000 0.117 0.000 0.819 293 A HN 0.234 nan 8.150 nan 0.000 0.448 294 L N -1.073 120.213 121.223 0.105 0.000 2.599 294 L HA -0.050 4.291 4.340 0.001 0.000 0.230 294 L C 2.299 179.195 176.870 0.043 0.000 1.141 294 L CA 0.605 55.505 54.840 0.099 0.000 0.877 294 L CB -0.493 41.618 42.059 0.088 0.000 1.009 294 L HN 0.623 nan 8.230 nan 0.000 0.447 295 H N 0.765 119.814 119.070 -0.035 0.000 2.353 295 H HA -0.101 4.456 4.556 0.001 0.000 0.300 295 H C 2.023 177.308 175.328 -0.071 0.000 1.090 295 H CA 1.271 57.290 56.048 -0.049 0.000 1.327 295 H CB 0.417 30.164 29.762 -0.025 0.000 1.383 295 H HN 0.243 nan 8.280 nan 0.000 0.508 296 R N -0.142 120.176 120.500 -0.304 0.000 2.062 296 R HA -0.037 4.304 4.340 0.001 0.000 0.229 296 R C -0.546 175.473 176.300 -0.470 0.000 1.128 296 R CA 1.009 56.816 56.100 -0.489 0.000 0.960 296 R CB -1.589 28.342 30.300 -0.615 0.000 0.855 296 R HN 0.454 nan 8.270 nan 0.000 0.432 297 P HA -0.090 nan 4.420 nan 0.000 0.218 297 P C 0.904 178.410 177.300 0.344 0.000 1.149 297 P CA 1.323 64.398 63.100 -0.043 0.000 0.817 297 P CB -0.041 31.738 31.700 0.132 0.000 0.785 298 K N -0.717 119.779 120.400 0.159 0.000 2.155 298 K HA -0.062 4.259 4.320 0.001 0.000 0.203 298 K C 2.329 178.969 176.600 0.067 0.000 1.052 298 K CA 0.696 57.018 56.287 0.058 0.000 0.948 298 K CB -0.145 32.239 32.500 -0.193 0.000 0.728 298 K HN -0.010 nan 8.250 nan 0.000 0.448 299 R N 0.111 120.585 120.500 -0.045 0.000 2.090 299 R HA -0.093 4.248 4.340 0.001 0.000 0.228 299 R C 2.087 178.432 176.300 0.074 0.000 1.110 299 R CA 1.016 57.093 56.100 -0.038 0.000 0.973 299 R CB -0.142 30.073 30.300 -0.141 0.000 0.869 299 R HN 0.161 nan 8.270 nan 0.000 0.440 300 F N 0.067 120.025 119.950 0.013 0.000 2.084 300 F HA -0.195 4.333 4.527 0.001 0.000 0.296 300 F C 1.880 177.773 175.800 0.155 0.000 1.111 300 F CA 1.594 59.641 58.000 0.078 0.000 1.224 300 F CB -0.471 38.590 39.000 0.103 0.000 0.991 300 F HN -0.027 nan 8.300 nan 0.000 0.471 301 F N 0.464 120.608 119.950 0.323 0.000 2.325 301 F HA 0.038 4.566 4.527 0.001 0.000 0.299 301 F C 2.254 178.083 175.800 0.048 0.000 1.090 301 F CA 1.050 59.188 58.000 0.230 0.000 1.392 301 F CB -0.461 38.808 39.000 0.449 0.000 1.053 301 F HN 0.034 nan 8.300 nan 0.000 0.521 302 G N -0.703 108.118 108.800 0.035 0.000 2.650 302 G HA2 -0.062 3.899 3.960 0.001 0.000 0.214 302 G HA3 -0.062 3.899 3.960 0.001 0.000 0.214 302 G C 1.612 176.412 174.900 -0.167 0.000 1.136 302 G CA 0.482 45.522 45.100 -0.100 0.000 0.789 302 G HN 0.453 nan 8.290 nan 0.000 0.536 303 A N 0.392 123.089 122.820 -0.205 0.000 2.119 303 A HA 0.569 4.890 4.320 0.001 0.000 0.217 303 A C 1.734 179.152 177.584 -0.276 0.000 1.153 303 A CA 0.898 52.771 52.037 -0.273 0.000 0.692 303 A CB -0.280 18.514 19.000 -0.342 0.000 0.799 303 A HN 0.696 nan 8.150 nan 0.000 0.458 304 A N 1.185 123.829 122.820 -0.293 0.000 2.491 304 A HA 0.506 4.827 4.320 0.001 0.000 0.261 304 A C 0.518 177.978 177.584 -0.206 0.000 1.101 304 A CA -0.061 51.815 52.037 -0.268 0.000 0.772 304 A CB -0.209 18.587 19.000 -0.340 0.000 1.043 304 A HN 0.718 nan 8.150 nan 0.000 0.501 305 R N 1.743 122.149 120.500 -0.158 0.000 2.604 305 R HA 0.335 4.675 4.340 0.001 0.000 0.261 305 R C -1.315 174.940 176.300 -0.074 0.000 1.080 305 R CA -0.913 55.124 56.100 -0.105 0.000 0.917 305 R CB 0.709 30.944 30.300 -0.109 0.000 1.252 305 R HN 0.511 nan 8.270 nan 0.000 0.456 306 N N 1.482 120.165 118.700 -0.029 0.000 2.430 306 N HA 0.180 4.921 4.740 0.001 0.000 0.265 306 N C -0.878 174.614 175.510 -0.029 0.000 1.100 306 N CA -0.255 52.786 53.050 -0.014 0.000 0.961 306 N CB 1.365 39.874 38.487 0.036 0.000 1.075 306 N HN 0.466 nan 8.380 nan 0.000 0.478 307 V N 3.923 123.815 119.914 -0.036 0.000 2.465 307 V HA 0.129 4.250 4.120 0.001 0.000 0.279 307 V C 1.559 177.638 176.094 -0.024 0.000 1.045 307 V CA -0.476 61.802 62.300 -0.037 0.000 0.938 307 V CB 1.255 33.051 31.823 -0.045 0.000 0.986 307 V HN 0.817 nan 8.190 nan 0.000 0.467 308 E N 3.554 123.741 120.200 -0.022 0.000 2.047 308 E HA -0.146 4.204 4.350 0.001 0.000 0.191 308 E C 1.092 177.685 176.600 -0.012 0.000 0.987 308 E CA 1.010 57.400 56.400 -0.016 0.000 0.799 308 E CB 0.240 29.930 29.700 -0.016 0.000 0.752 308 E HN 0.847 nan 8.360 nan 0.000 0.449 309 E N 0.728 120.920 120.200 -0.013 0.000 2.528 309 E HA 0.175 4.525 4.350 0.001 0.000 0.237 309 E C 0.299 176.895 176.600 -0.007 0.000 1.408 309 E CA 0.476 56.871 56.400 -0.008 0.000 1.571 309 E CB -0.248 29.447 29.700 -0.008 0.000 1.395 309 E HN 0.339 nan 8.360 nan 0.000 0.438 310 G N -0.121 108.674 108.800 -0.007 0.000 2.862 310 G HA2 0.200 4.160 3.960 0.001 0.000 0.686 310 G HA3 0.200 4.160 3.960 0.001 0.000 0.686 310 G C 0.262 175.157 174.900 -0.010 0.000 1.134 310 G CA -0.181 44.917 45.100 -0.004 0.000 0.791 310 G HN 1.014 nan 8.290 nan 0.000 0.592 311 G N -0.533 108.261 108.800 -0.010 0.000 2.712 311 G HA2 0.515 4.476 3.960 0.001 0.000 0.683 311 G HA3 0.515 4.476 3.960 0.001 0.000 0.683 311 G C 0.127 175.008 174.900 -0.031 0.000 1.320 311 G CA 0.687 45.778 45.100 -0.016 0.000 0.847 311 G HN 3.122 nan 8.290 nan 0.000 0.553 312 S N -1.705 113.970 115.700 -0.042 0.000 2.558 312 S HA 0.632 5.103 4.470 0.001 0.000 0.277 312 S C -1.409 173.146 174.600 -0.074 0.000 1.143 312 S CA -0.247 57.918 58.200 -0.059 0.000 0.865 312 S CB 1.823 64.991 63.200 -0.053 0.000 1.102 312 S HN 2.225 nan 8.310 nan 0.000 0.454 313 L N 2.284 123.447 121.223 -0.099 0.000 2.319 313 L HA 0.806 5.146 4.340 0.001 0.000 0.281 313 L C -0.247 176.542 176.870 -0.134 0.000 1.005 313 L CA 0.252 55.020 54.840 -0.119 0.000 0.828 313 L CB 1.597 43.562 42.059 -0.156 0.000 1.227 313 L HN 1.044 nan 8.230 nan 0.000 0.415 314 T N 6.166 120.650 114.554 -0.116 0.000 2.786 314 T HA 0.669 5.019 4.350 0.001 0.000 0.283 314 T C -0.556 174.089 174.700 -0.091 0.000 0.992 314 T CA -0.359 61.668 62.100 -0.123 0.000 0.954 314 T CB 0.270 69.067 68.868 -0.118 0.000 0.934 314 T HN 0.474 nan 8.240 nan 0.000 0.440 315 I N 5.783 126.295 120.570 -0.097 0.000 2.382 315 I HA 0.430 4.600 4.170 0.001 0.000 0.286 315 I C -0.758 175.419 176.117 0.101 0.000 1.002 315 I CA -0.911 60.394 61.300 0.009 0.000 1.135 315 I CB 1.673 39.683 38.000 0.017 0.000 1.288 315 I HN 0.560 nan 8.210 nan 0.000 0.448 316 I N 6.501 127.141 120.570 0.116 0.000 2.337 316 I HA 0.496 4.667 4.170 0.001 0.000 0.285 316 I C 0.329 176.538 176.117 0.154 0.000 1.041 316 I CA 0.095 61.475 61.300 0.132 0.000 1.199 316 I CB 1.226 39.262 38.000 0.060 0.000 1.370 316 I HN 0.575 nan 8.210 nan 0.000 0.470 317 A N 4.064 127.007 122.820 0.206 0.000 2.337 317 A HA 0.801 5.122 4.320 0.001 0.000 0.329 317 A C 0.181 177.748 177.584 -0.029 0.000 1.146 317 A CA -0.579 51.504 52.037 0.076 0.000 0.800 317 A CB 0.698 19.708 19.000 0.017 0.000 1.220 317 A HN 0.622 nan 8.150 nan 0.000 0.472 318 T N 0.006 114.523 114.554 -0.061 0.000 2.856 318 T HA 0.645 4.996 4.350 0.001 0.000 0.292 318 T C 0.013 174.630 174.700 -0.138 0.000 0.980 318 T CA 0.069 62.119 62.100 -0.083 0.000 1.091 318 T CB 1.359 70.189 68.868 -0.063 0.000 0.936 318 T HN 1.429 nan 8.240 nan 0.000 0.503 319 A N 3.883 126.631 122.820 -0.120 0.000 2.318 319 A HA 0.666 4.987 4.320 0.001 0.000 0.317 319 A C -0.083 177.430 177.584 -0.118 0.000 1.159 319 A CA -0.968 51.000 52.037 -0.114 0.000 0.799 319 A CB 0.589 19.581 19.000 -0.013 0.000 1.194 319 A HN 0.933 nan 8.150 nan 0.000 0.479 320 L N 3.311 124.461 121.223 -0.122 0.000 2.349 320 L HA 0.377 4.718 4.340 0.001 0.000 0.275 320 L C -0.337 176.427 176.870 -0.178 0.000 1.115 320 L CA -0.197 54.566 54.840 -0.129 0.000 0.820 320 L CB 0.644 42.641 42.059 -0.104 0.000 1.135 320 L HN 0.494 nan 8.230 nan 0.000 0.445 321 I N 1.689 122.146 120.570 -0.189 0.000 2.785 321 I HA 0.269 4.440 4.170 0.001 0.000 0.302 321 I C -0.510 175.526 176.117 -0.136 0.000 1.069 321 I CA -0.497 60.666 61.300 -0.228 0.000 1.045 321 I CB 1.859 39.680 38.000 -0.299 0.000 1.236 321 I HN 0.580 nan 8.210 nan 0.000 0.429 322 D N 2.956 123.287 120.400 -0.114 0.000 2.828 322 D HA -0.135 4.506 4.640 0.001 0.000 0.241 322 D C 0.743 177.006 176.300 -0.062 0.000 1.142 322 D CA 0.870 54.827 54.000 -0.073 0.000 0.755 322 D CB -0.985 39.777 40.800 -0.062 0.000 1.014 322 D HN 0.659 nan 8.370 nan 0.000 0.420 323 T N -1.353 113.166 114.554 -0.059 0.000 2.990 323 T HA 0.368 4.719 4.350 0.001 0.000 0.249 323 T C 1.395 176.072 174.700 -0.039 0.000 1.039 323 T CA 0.427 62.496 62.100 -0.052 0.000 1.036 323 T CB 0.816 69.651 68.868 -0.056 0.000 0.994 323 T HN 0.658 nan 8.240 nan 0.000 0.489 324 G N 1.951 110.732 108.800 -0.031 0.000 2.256 324 G HA2 -0.170 3.791 3.960 0.001 0.000 0.272 324 G HA3 -0.170 3.791 3.960 0.001 0.000 0.272 324 G C 0.047 174.937 174.900 -0.016 0.000 1.076 324 G CA 0.353 45.441 45.100 -0.021 0.000 0.882 324 G HN 0.689 nan 8.290 nan 0.000 0.497 325 S N -1.336 114.356 115.700 -0.013 0.000 2.720 325 S HA 0.599 5.069 4.470 0.001 0.000 0.278 325 S C 1.174 175.778 174.600 0.007 0.000 1.172 325 S CA -0.206 57.990 58.200 -0.005 0.000 1.019 325 S CB 0.947 64.140 63.200 -0.012 0.000 1.049 325 S HN 0.255 nan 8.310 nan 0.000 0.483 326 K N 3.414 123.823 120.400 0.014 0.000 2.147 326 K HA 0.053 4.373 4.320 0.001 0.000 0.205 326 K C 2.040 178.660 176.600 0.034 0.000 1.049 326 K CA 1.387 57.690 56.287 0.027 0.000 0.936 326 K CB -0.108 32.407 32.500 0.025 0.000 0.722 326 K HN 0.580 nan 8.250 nan 0.000 0.446 327 M N 1.028 120.644 119.600 0.027 0.000 2.108 327 M HA -0.227 4.254 4.480 0.001 0.000 0.261 327 M C 0.820 177.142 176.300 0.037 0.000 1.066 327 M CA 1.799 57.118 55.300 0.032 0.000 1.107 327 M CB -0.392 32.221 32.600 0.022 0.000 1.356 327 M HN 0.187 nan 8.290 nan 0.000 0.406 328 D N -0.531 119.883 120.400 0.024 0.000 2.194 328 D HA -0.099 4.542 4.640 0.001 0.000 0.204 328 D C 1.785 178.126 176.300 0.067 0.000 0.964 328 D CA 0.932 54.947 54.000 0.024 0.000 0.846 328 D CB -0.183 40.610 40.800 -0.011 0.000 0.962 328 D HN 0.496 nan 8.370 nan 0.000 0.490 329 E N 0.418 120.658 120.200 0.067 0.000 2.150 329 E HA -0.090 4.261 4.350 0.001 0.000 0.193 329 E C 2.226 178.913 176.600 0.145 0.000 0.985 329 E CA 0.455 56.920 56.400 0.109 0.000 0.814 329 E CB 0.317 30.061 29.700 0.074 0.000 0.752 329 E HN 0.075 nan 8.360 nan 0.000 0.466 330 V N 1.244 121.221 119.914 0.105 0.000 2.379 330 V HA -0.208 3.913 4.120 0.001 0.000 0.245 330 V C 2.201 178.369 176.094 0.124 0.000 1.044 330 V CA 1.254 63.612 62.300 0.097 0.000 1.036 330 V CB -0.310 31.556 31.823 0.072 0.000 0.664 330 V HN 0.248 nan 8.190 nan 0.000 0.453 331 I N -0.686 119.970 120.570 0.143 0.000 2.264 331 I HA -0.299 3.872 4.170 0.001 0.000 0.248 331 I C 2.453 178.722 176.117 0.255 0.000 1.111 331 I CA 2.058 63.478 61.300 0.201 0.000 1.382 331 I CB -0.456 37.617 38.000 0.120 0.000 1.060 331 I HN 0.393 nan 8.210 nan 0.000 0.418 332 Y N 1.904 122.251 120.300 0.078 0.000 2.145 332 Y HA -0.248 4.302 4.550 0.001 0.000 0.286 332 Y C 2.419 178.379 175.900 0.100 0.000 1.145 332 Y CA 1.683 59.824 58.100 0.068 0.000 1.148 332 Y CB -0.368 38.106 38.460 0.024 0.000 0.981 332 Y HN 0.142 nan 8.280 nan 0.000 0.507 333 E N -0.290 119.881 120.200 -0.049 0.000 2.153 333 E HA -0.200 4.151 4.350 0.001 0.000 0.194 333 E C 2.068 178.603 176.600 -0.108 0.000 0.988 333 E CA 1.217 57.534 56.400 -0.139 0.000 0.811 333 E CB -0.016 29.685 29.700 0.002 0.000 0.746 333 E HN 0.566 nan 8.360 nan 0.000 0.466 334 E N -0.221 119.966 120.200 -0.022 0.000 2.076 334 E HA -0.088 4.263 4.350 0.001 0.000 0.190 334 E C 1.636 178.160 176.600 -0.126 0.000 0.979 334 E CA 0.709 57.075 56.400 -0.057 0.000 0.807 334 E CB -0.047 29.639 29.700 -0.025 0.000 0.761 334 E HN 0.265 nan 8.360 nan 0.000 0.454 335 F N 1.277 121.168 119.950 -0.099 0.000 2.780 335 F HA 0.058 4.586 4.527 0.001 0.000 0.299 335 F C 1.225 176.958 175.800 -0.112 0.000 1.146 335 F CA 0.182 58.129 58.000 -0.088 0.000 1.428 335 F CB 0.248 39.165 39.000 -0.138 0.000 1.115 335 F HN -0.266 nan 8.300 nan 0.000 0.583 336 K N 0.184 120.519 120.400 -0.108 0.000 2.412 336 K HA 0.294 4.615 4.320 0.001 0.000 0.284 336 K C 1.212 177.779 176.600 -0.055 0.000 1.046 336 K CA 0.970 57.131 56.287 -0.209 0.000 0.999 336 K CB 0.106 32.301 32.500 -0.508 0.000 0.941 336 K HN 0.339 nan 8.250 nan 0.000 0.474 337 G N 2.361 111.178 108.800 0.028 0.000 2.284 337 G HA2 -0.400 3.560 3.960 0.001 0.000 0.247 337 G HA3 -0.400 3.560 3.960 0.001 0.000 0.247 337 G C 0.970 175.918 174.900 0.080 0.000 1.012 337 G CA 0.791 45.924 45.100 0.054 0.000 0.618 337 G HN 0.791 nan 8.290 nan 0.000 0.521 338 T N -0.424 114.193 114.554 0.105 0.000 2.737 338 T HA 0.241 4.591 4.350 0.001 0.000 0.269 338 T C 1.869 176.649 174.700 0.133 0.000 1.040 338 T CA 1.954 64.124 62.100 0.117 0.000 1.142 338 T CB -0.528 68.434 68.868 0.157 0.000 0.861 338 T HN 1.632 nan 8.240 nan 0.000 0.456 339 G N 1.650 110.584 108.800 0.224 0.000 2.563 339 G HA2 0.408 4.369 3.960 0.001 0.000 0.283 339 G HA3 0.408 4.369 3.960 0.001 0.000 0.283 339 G C 0.300 175.251 174.900 0.084 0.000 1.309 339 G CA -0.301 44.875 45.100 0.128 0.000 1.022 339 G HN 0.539 nan 8.290 nan 0.000 0.501 340 N N -1.774 116.962 118.700 0.059 0.000 2.170 340 N HA 0.186 4.927 4.740 0.001 0.000 0.222 340 N C 0.009 175.569 175.510 0.083 0.000 1.218 340 N CA -0.214 52.895 53.050 0.099 0.000 0.889 340 N CB 0.892 39.494 38.487 0.192 0.000 1.083 340 N HN 0.315 nan 8.380 nan 0.000 0.520 341 M N 1.788 121.419 119.600 0.052 0.000 2.213 341 M HA 0.282 4.763 4.480 0.001 0.000 0.286 341 M C -1.908 174.434 176.300 0.070 0.000 1.008 341 M CA -0.117 55.204 55.300 0.035 0.000 0.937 341 M CB 1.929 34.515 32.600 -0.024 0.000 1.600 341 M HN 0.310 nan 8.290 nan 0.000 0.450 342 E N 5.083 125.328 120.200 0.075 0.000 2.283 342 E HA 0.503 4.853 4.350 0.001 0.000 0.258 342 E C -1.841 174.817 176.600 0.097 0.000 0.893 342 E CA -0.841 55.606 56.400 0.080 0.000 0.798 342 E CB 2.475 32.256 29.700 0.136 0.000 1.242 342 E HN 0.693 nan 8.360 nan 0.000 0.414 343 L N 3.625 124.866 121.223 0.030 0.000 2.287 343 L HA 0.460 4.801 4.340 0.001 0.000 0.287 343 L C -1.288 175.586 176.870 0.007 0.000 1.022 343 L CA -0.623 54.253 54.840 0.061 0.000 0.814 343 L CB 0.654 42.732 42.059 0.033 0.000 1.217 343 L HN 0.636 nan 8.230 nan 0.000 0.420 344 H N 4.851 123.936 119.070 0.025 0.000 2.473 344 H HA 0.556 5.112 4.556 0.001 0.000 0.327 344 H C -0.690 174.653 175.328 0.024 0.000 1.105 344 H CA -0.131 55.934 56.048 0.028 0.000 1.280 344 H CB 1.307 31.088 29.762 0.033 0.000 1.450 344 H HN 0.488 nan 8.280 nan 0.000 0.492 345 L N 1.391 122.669 121.223 0.091 0.000 2.334 345 L HA 0.506 4.846 4.340 0.001 0.000 0.273 345 L C 0.223 177.125 176.870 0.053 0.000 1.013 345 L CA -0.746 54.131 54.840 0.062 0.000 0.816 345 L CB 1.944 44.019 42.059 0.026 0.000 1.278 345 L HN 0.494 nan 8.230 nan 0.000 0.431 346 S N 0.169 115.895 115.700 0.043 0.000 2.566 346 S HA 0.452 4.923 4.470 0.001 0.000 0.298 346 S C 0.378 174.981 174.600 0.006 0.000 1.083 346 S CA -0.602 57.615 58.200 0.027 0.000 0.978 346 S CB 2.041 65.261 63.200 0.033 0.000 1.073 346 S HN 0.677 nan 8.310 nan 0.000 0.491 347 R N 2.543 123.040 120.500 -0.005 0.000 2.066 347 R HA 0.260 4.600 4.340 0.001 0.000 0.224 347 R C 1.877 178.165 176.300 -0.020 0.000 1.122 347 R CA 1.666 57.756 56.100 -0.016 0.000 0.974 347 R CB -0.458 29.830 30.300 -0.020 0.000 0.871 347 R HN 0.684 nan 8.270 nan 0.000 0.435 348 K N 0.116 120.507 120.400 -0.015 0.000 2.074 348 K HA -0.129 4.192 4.320 0.001 0.000 0.209 348 K C 1.979 178.564 176.600 -0.025 0.000 1.048 348 K CA 1.984 58.260 56.287 -0.018 0.000 0.926 348 K CB -0.222 32.272 32.500 -0.011 0.000 0.713 348 K HN 0.264 nan 8.250 nan 0.000 0.444 349 I N 0.343 120.902 120.570 -0.017 0.000 2.233 349 I HA -0.197 3.973 4.170 0.001 0.000 0.243 349 I C 2.469 178.552 176.117 -0.057 0.000 1.093 349 I CA 0.978 62.264 61.300 -0.024 0.000 1.380 349 I CB -0.378 37.624 38.000 0.004 0.000 1.067 349 I HN 0.084 nan 8.210 nan 0.000 0.413 350 A N 0.318 123.109 122.820 -0.048 0.000 1.969 350 A HA -0.166 4.154 4.320 0.001 0.000 0.218 350 A C 2.218 179.735 177.584 -0.111 0.000 1.169 350 A CA 1.340 53.331 52.037 -0.076 0.000 0.635 350 A CB -0.480 18.503 19.000 -0.028 0.000 0.810 350 A HN 0.411 nan 8.150 nan 0.000 0.445 351 E N -0.304 119.849 120.200 -0.078 0.000 2.208 351 E HA -0.077 4.274 4.350 0.001 0.000 0.193 351 E C 0.834 177.377 176.600 -0.095 0.000 0.988 351 E CA 0.487 56.842 56.400 -0.076 0.000 0.828 351 E CB 0.036 29.706 29.700 -0.049 0.000 0.763 351 E HN 0.293 nan 8.360 nan 0.000 0.478 352 K N 0.543 120.881 120.400 -0.103 0.000 2.504 352 K HA 0.088 4.408 4.320 0.001 0.000 0.199 352 K C 0.255 176.755 176.600 -0.167 0.000 1.028 352 K CA -0.026 56.198 56.287 -0.105 0.000 1.164 352 K CB 0.156 32.612 32.500 -0.075 0.000 0.877 352 K HN 0.091 nan 8.250 nan 0.000 0.508 353 R N -0.535 119.810 120.500 -0.257 0.000 3.989 353 R HA -0.142 4.198 4.340 0.001 0.000 0.377 353 R C -0.463 175.442 176.300 -0.658 0.000 1.158 353 R CA 0.578 56.384 56.100 -0.489 0.000 1.035 353 R CB -1.947 28.148 30.300 -0.341 0.000 1.557 353 R HN -0.064 nan 8.270 nan 0.000 0.551 354 V N 2.453 122.147 119.914 -0.366 0.000 2.352 354 V HA 0.044 4.165 4.120 0.001 0.000 0.253 354 V C 1.397 177.378 176.094 -0.188 0.000 1.083 354 V CA 0.235 62.398 62.300 -0.229 0.000 0.993 354 V CB 0.037 31.809 31.823 -0.083 0.000 1.111 354 V HN 0.105 nan 8.190 nan 0.000 0.490 355 F N 5.140 125.095 119.950 0.007 0.000 2.075 355 F HA -0.012 4.516 4.527 0.001 0.000 0.297 355 F C -0.258 175.549 175.800 0.010 0.000 1.113 355 F CA 0.782 58.785 58.000 0.006 0.000 1.218 355 F CB -1.289 37.712 39.000 0.002 0.000 0.984 355 F HN 0.420 nan 8.300 nan 0.000 0.472 356 P HA 0.106 nan 4.420 nan 0.000 0.231 356 P C -0.527 176.828 177.300 0.092 0.000 1.756 356 P CA 0.424 63.599 63.100 0.126 0.000 0.990 356 P CB -0.333 31.429 31.700 0.104 0.000 1.973 357 A N 2.580 125.449 122.820 0.082 0.000 3.029 357 A HA 0.215 4.536 4.320 0.001 0.000 0.251 357 A C 0.348 177.976 177.584 0.073 0.000 1.749 357 A CA -0.318 51.756 52.037 0.061 0.000 1.386 357 A CB -1.218 17.806 19.000 0.039 0.000 1.043 357 A HN 0.305 nan 8.150 nan 0.000 0.638 358 I N 0.678 121.302 120.570 0.089 0.000 2.325 358 I HA 0.134 4.305 4.170 0.001 0.000 0.291 358 I C 0.160 176.353 176.117 0.128 0.000 1.019 358 I CA -0.199 61.165 61.300 0.106 0.000 1.302 358 I CB 1.249 39.316 38.000 0.112 0.000 1.401 358 I HN 0.216 nan 8.210 nan 0.000 0.485 359 D N 5.225 125.701 120.400 0.127 0.000 2.374 359 D HA -0.032 4.609 4.640 0.001 0.000 0.240 359 D C 0.701 177.076 176.300 0.126 0.000 1.229 359 D CA 0.129 54.201 54.000 0.120 0.000 0.895 359 D CB 0.368 41.221 40.800 0.088 0.000 1.046 359 D HN 0.474 nan 8.370 nan 0.000 0.498 360 Y N 3.985 124.311 120.300 0.043 0.000 2.293 360 Y HA -0.161 4.389 4.550 0.001 0.000 0.291 360 Y C 1.493 177.415 175.900 0.036 0.000 1.137 360 Y CA 1.540 59.663 58.100 0.039 0.000 1.202 360 Y CB 0.125 38.614 38.460 0.049 0.000 0.990 360 Y HN 0.435 nan 8.280 nan 0.000 0.537 361 N N -0.842 117.964 118.700 0.176 0.000 2.459 361 N HA -0.085 4.656 4.740 0.001 0.000 0.181 361 N C 1.536 177.049 175.510 0.005 0.000 1.046 361 N CA 0.740 53.869 53.050 0.131 0.000 0.904 361 N CB 0.002 38.559 38.487 0.117 0.000 0.964 361 N HN 0.126 nan 8.380 nan 0.000 0.444 362 R N -0.362 120.092 120.500 -0.076 0.000 2.316 362 R HA 0.323 4.664 4.340 0.001 0.000 0.201 362 R C -0.274 175.897 176.300 -0.215 0.000 0.888 362 R CA 0.130 56.080 56.100 -0.251 0.000 1.041 362 R CB 0.599 30.633 30.300 -0.443 0.000 1.115 362 R HN -0.050 nan 8.270 nan 0.000 0.559 363 S N -0.600 115.056 115.700 -0.074 0.000 2.617 363 S HA 0.744 5.215 4.470 0.001 0.000 0.269 363 S C -0.063 174.464 174.600 -0.122 0.000 1.292 363 S CA 0.125 58.328 58.200 0.005 0.000 1.010 363 S CB 1.639 64.837 63.200 -0.004 0.000 0.944 363 S HN 0.474 nan 8.310 nan 0.000 0.536 364 G N 0.735 109.496 108.800 -0.066 0.000 2.358 364 G HA2 0.407 4.367 3.960 0.001 0.000 0.303 364 G HA3 0.407 4.367 3.960 0.001 0.000 0.303 364 G C -0.930 173.951 174.900 -0.032 0.000 1.537 364 G CA -0.565 44.469 45.100 -0.110 0.000 0.928 364 G HN 0.843 nan 8.290 nan 0.000 0.656 365 T N -1.123 113.409 114.554 -0.036 0.000 2.855 365 T HA 0.763 5.113 4.350 0.001 0.000 0.281 365 T C 0.245 174.970 174.700 0.042 0.000 1.007 365 T CA -0.805 61.307 62.100 0.021 0.000 1.009 365 T CB 1.874 70.761 68.868 0.032 0.000 0.983 365 T HN 0.665 nan 8.240 nan 0.000 0.455 366 R N 2.030 122.576 120.500 0.076 0.000 2.543 366 R HA 0.335 4.675 4.340 0.001 0.000 0.277 366 R C 0.145 176.481 176.300 0.059 0.000 1.074 366 R CA -0.716 55.423 56.100 0.066 0.000 1.076 366 R CB 0.242 30.579 30.300 0.062 0.000 0.993 366 R HN 0.602 nan 8.270 nan 0.000 0.459 367 K N 1.472 121.888 120.400 0.028 0.000 3.257 367 K HA -0.270 4.051 4.320 0.001 0.000 0.270 367 K C 0.395 177.014 176.600 0.032 0.000 0.984 367 K CA 0.891 57.177 56.287 -0.002 0.000 0.739 367 K CB -1.104 31.335 32.500 -0.102 0.000 1.351 367 K HN 0.837 nan 8.250 nan 0.000 0.463 368 E N 1.254 121.488 120.200 0.057 0.000 2.204 368 E HA -0.188 4.162 4.350 0.001 0.000 0.195 368 E C 1.760 178.393 176.600 0.056 0.000 0.990 368 E CA 1.299 57.728 56.400 0.048 0.000 0.821 368 E CB 0.303 30.003 29.700 -0.001 0.000 0.750 368 E HN 0.500 nan 8.360 nan 0.000 0.477 369 E N 0.541 120.785 120.200 0.073 0.000 2.150 369 E HA -0.195 4.155 4.350 0.001 0.000 0.193 369 E C 1.828 178.455 176.600 0.046 0.000 0.985 369 E CA 0.729 57.174 56.400 0.075 0.000 0.814 369 E CB -0.417 29.334 29.700 0.084 0.000 0.752 369 E HN 0.370 nan 8.360 nan 0.000 0.466 370 L N 0.639 121.878 121.223 0.027 0.000 2.627 370 L HA 0.113 4.454 4.340 0.001 0.000 0.233 370 L C 1.725 178.616 176.870 0.035 0.000 1.144 370 L CA 0.165 55.013 54.840 0.013 0.000 0.892 370 L CB -0.032 42.010 42.059 -0.028 0.000 1.039 370 L HN 0.079 nan 8.230 nan 0.000 0.442 371 L N -2.026 119.227 121.223 0.050 0.000 2.878 371 L HA 0.195 4.536 4.340 0.001 0.000 0.253 371 L C 0.558 177.455 176.870 0.045 0.000 1.135 371 L CA -0.019 54.855 54.840 0.056 0.000 0.943 371 L CB 0.484 42.588 42.059 0.075 0.000 1.307 371 L HN 0.160 nan 8.230 nan 0.000 0.545 372 T N -2.044 112.536 114.554 0.043 0.000 2.885 372 T HA 0.465 4.816 4.350 0.001 0.000 0.285 372 T C 0.181 174.908 174.700 0.045 0.000 1.019 372 T CA -0.600 61.525 62.100 0.043 0.000 1.010 372 T CB 1.767 70.658 68.868 0.039 0.000 1.022 372 T HN 0.065 nan 8.240 nan 0.000 0.466 373 T N 0.138 114.719 114.554 0.045 0.000 2.918 373 T HA 0.144 4.494 4.350 0.001 0.000 0.302 373 T C 1.348 176.077 174.700 0.049 0.000 1.045 373 T CA -0.566 61.561 62.100 0.045 0.000 1.114 373 T CB 1.006 69.902 68.868 0.046 0.000 0.965 373 T HN 0.810 nan 8.240 nan 0.000 0.540 374 Q N 0.854 120.681 119.800 0.045 0.000 2.133 374 Q HA -0.273 4.068 4.340 0.001 0.000 0.208 374 Q C 1.838 177.868 176.000 0.051 0.000 0.991 374 Q CA 2.368 58.199 55.803 0.046 0.000 0.867 374 Q CB -0.190 28.569 28.738 0.034 0.000 0.911 374 Q HN 0.882 nan 8.270 nan 0.000 0.417 375 E N 0.231 120.460 120.200 0.049 0.000 2.072 375 E HA -0.182 4.169 4.350 0.001 0.000 0.191 375 E C 1.714 178.344 176.600 0.051 0.000 0.985 375 E CA 1.306 57.735 56.400 0.049 0.000 0.801 375 E CB -0.131 29.603 29.700 0.058 0.000 0.750 375 E HN 0.430 nan 8.360 nan 0.000 0.452 376 E N 0.237 120.471 120.200 0.056 0.000 2.150 376 E HA -0.176 4.175 4.350 0.001 0.000 0.193 376 E C 1.922 178.549 176.600 0.045 0.000 0.985 376 E CA 0.448 56.877 56.400 0.049 0.000 0.814 376 E CB 0.022 29.752 29.700 0.050 0.000 0.752 376 E HN 0.155 nan 8.360 nan 0.000 0.466 377 L N 1.120 122.388 121.223 0.076 0.000 1.989 377 L HA -0.224 4.117 4.340 0.001 0.000 0.211 377 L C 2.228 179.235 176.870 0.227 0.000 1.071 377 L CA 1.866 56.791 54.840 0.142 0.000 0.749 377 L CB -0.316 41.847 42.059 0.175 0.000 0.890 377 L HN 0.051 nan 8.230 nan 0.000 0.431 378 Q N -0.568 119.326 119.800 0.157 0.000 2.172 378 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 378 Q C 2.176 178.197 176.000 0.034 0.000 0.964 378 Q CA 1.162 57.042 55.803 0.129 0.000 0.855 378 Q CB -0.276 28.494 28.738 0.053 0.000 0.918 378 Q HN 0.345 nan 8.270 nan 0.000 0.444 379 K N 0.185 120.572 120.400 -0.021 0.000 2.057 379 K HA -0.124 4.197 4.320 0.001 0.000 0.207 379 K C 1.737 178.193 176.600 -0.239 0.000 1.049 379 K CA 1.385 57.585 56.287 -0.145 0.000 0.931 379 K CB -0.082 32.387 32.500 -0.052 0.000 0.714 379 K HN 0.298 nan 8.250 nan 0.000 0.440 380 M N -1.398 118.139 119.600 -0.106 0.000 2.200 380 M HA -0.111 4.369 4.480 0.001 0.000 0.265 380 M C 1.898 178.122 176.300 -0.127 0.000 1.066 380 M CA 1.384 56.608 55.300 -0.126 0.000 1.127 380 M CB -0.304 32.217 32.600 -0.131 0.000 1.379 380 M HN 0.176 nan 8.290 nan 0.000 0.420 381 W N 0.330 121.581 121.300 -0.083 0.000 2.381 381 W HA -0.142 4.518 4.660 0.001 0.000 0.301 381 W C 1.929 178.405 176.519 -0.071 0.000 1.205 381 W CA 0.583 57.896 57.345 -0.053 0.000 1.285 381 W CB -0.089 29.342 29.460 -0.048 0.000 1.133 381 W HN 0.079 nan 8.180 nan 0.000 0.521 382 I N -0.487 120.132 120.570 0.081 0.000 2.439 382 I HA -0.229 3.942 4.170 0.001 0.000 0.251 382 I C 2.172 178.227 176.117 -0.104 0.000 1.139 382 I CA 0.931 62.219 61.300 -0.019 0.000 1.438 382 I CB -0.847 37.097 38.000 -0.094 0.000 1.085 382 I HN -0.074 nan 8.210 nan 0.000 0.427 383 L N 0.399 121.419 121.223 -0.337 0.000 2.141 383 L HA -0.124 4.216 4.340 0.001 0.000 0.209 383 L C 2.486 179.391 176.870 0.058 0.000 1.094 383 L CA 1.697 56.438 54.840 -0.166 0.000 0.763 383 L CB -0.524 41.392 42.059 -0.239 0.000 0.908 383 L HN 0.112 nan 8.230 nan 0.000 0.437 384 R N -0.640 119.927 120.500 0.113 0.000 2.090 384 R HA -0.080 4.260 4.340 0.001 0.000 0.228 384 R C 2.177 178.629 176.300 0.253 0.000 1.110 384 R CA 1.327 57.578 56.100 0.251 0.000 0.973 384 R CB -0.162 30.172 30.300 0.056 0.000 0.869 384 R HN 0.354 nan 8.270 nan 0.000 0.440 385 K N 0.457 120.992 120.400 0.225 0.000 2.103 385 K HA -0.059 4.261 4.320 0.001 0.000 0.204 385 K C 1.942 178.666 176.600 0.207 0.000 1.052 385 K CA 0.925 57.342 56.287 0.217 0.000 0.945 385 K CB -0.011 32.598 32.500 0.183 0.000 0.722 385 K HN 0.133 nan 8.250 nan 0.000 0.443 386 I N 0.747 121.442 120.570 0.209 0.000 2.928 386 I HA -0.149 4.022 4.170 0.001 0.000 0.266 386 I C 1.381 177.609 176.117 0.184 0.000 1.234 386 I CA 0.595 62.024 61.300 0.214 0.000 1.483 386 I CB 0.317 38.513 38.000 0.327 0.000 1.097 386 I HN 0.127 nan 8.210 nan 0.000 0.455 387 I N -0.580 120.098 120.570 0.179 0.000 2.927 387 I HA -0.141 4.030 4.170 0.001 0.000 0.268 387 I C 2.322 178.526 176.117 0.145 0.000 1.153 387 I CA 0.818 62.195 61.300 0.128 0.000 1.459 387 I CB -1.420 36.535 38.000 -0.076 0.000 1.149 387 I HN 0.278 nan 8.210 nan 0.000 0.443 388 H N 3.272 122.418 119.070 0.126 0.000 2.267 388 H HA -0.167 4.390 4.556 0.001 0.000 0.291 388 H C -0.779 174.596 175.328 0.079 0.000 1.094 388 H CA 2.693 58.817 56.048 0.126 0.000 1.227 388 H CB -1.432 28.410 29.762 0.134 0.000 1.351 388 H HN 0.096 nan 8.280 nan 0.000 0.483 389 P HA -0.126 nan 4.420 nan 0.000 0.218 389 P C 0.662 177.862 177.300 -0.166 0.000 1.148 389 P CA 1.605 64.592 63.100 -0.188 0.000 0.822 389 P CB -0.289 31.397 31.700 -0.023 0.000 0.784 390 M N -1.290 118.243 119.600 -0.111 0.000 2.198 390 M HA 0.416 4.897 4.480 0.001 0.000 0.315 390 M C 0.726 176.981 176.300 -0.075 0.000 1.134 390 M CA -0.209 55.036 55.300 -0.091 0.000 1.171 390 M CB 0.063 32.604 32.600 -0.097 0.000 1.413 390 M HN -0.210 nan 8.290 nan 0.000 0.467 391 G N 0.230 108.998 108.800 -0.053 0.000 2.716 391 G HA2 0.044 4.005 3.960 0.001 0.000 0.251 391 G HA3 0.044 4.005 3.960 0.001 0.000 0.251 391 G C 0.339 175.234 174.900 -0.009 0.000 1.224 391 G CA -0.238 44.841 45.100 -0.034 0.000 0.891 391 G HN 1.025 nan 8.290 nan 0.000 0.561 392 E N -0.404 119.796 120.200 -0.000 0.000 2.051 392 E HA -0.152 4.199 4.350 0.001 0.000 0.192 392 E C 2.413 179.031 176.600 0.030 0.000 0.991 392 E CA 1.027 57.440 56.400 0.021 0.000 0.799 392 E CB -0.085 29.625 29.700 0.016 0.000 0.748 392 E HN 0.490 nan 8.360 nan 0.000 0.449 393 I N 1.488 122.067 120.570 0.016 0.000 2.353 393 I HA -0.193 3.978 4.170 0.001 0.000 0.248 393 I C 1.952 178.085 176.117 0.027 0.000 1.119 393 I CA 0.908 62.217 61.300 0.015 0.000 1.417 393 I CB -0.199 37.801 38.000 0.000 0.000 1.078 393 I HN -0.018 nan 8.210 nan 0.000 0.421 394 D N 1.072 121.485 120.400 0.022 0.000 2.178 394 D HA -0.072 4.569 4.640 0.001 0.000 0.202 394 D C 2.308 178.656 176.300 0.080 0.000 0.974 394 D CA 1.450 55.469 54.000 0.033 0.000 0.841 394 D CB -0.044 40.752 40.800 -0.005 0.000 0.953 394 D HN 0.361 nan 8.370 nan 0.000 0.478 395 A N 0.107 122.972 122.820 0.075 0.000 2.121 395 A HA -0.123 4.198 4.320 0.001 0.000 0.218 395 A C 2.027 179.679 177.584 0.114 0.000 1.154 395 A CA 1.063 53.167 52.037 0.113 0.000 0.679 395 A CB -0.174 18.881 19.000 0.091 0.000 0.795 395 A HN 0.108 nan 8.150 nan 0.000 0.458 396 M N -0.801 118.853 119.600 0.089 0.000 2.398 396 M HA 0.123 4.604 4.480 0.001 0.000 0.261 396 M C 1.690 178.025 176.300 0.059 0.000 1.125 396 M CA 1.380 56.719 55.300 0.065 0.000 1.183 396 M CB -0.317 32.319 32.600 0.059 0.000 1.322 396 M HN 0.437 nan 8.290 nan 0.000 0.467 397 E N -0.883 119.360 120.200 0.072 0.000 2.219 397 E HA -0.245 4.105 4.350 0.001 0.000 0.198 397 E C 1.700 178.365 176.600 0.108 0.000 0.998 397 E CA 1.430 57.873 56.400 0.071 0.000 0.818 397 E CB -0.318 29.419 29.700 0.063 0.000 0.741 397 E HN 0.507 nan 8.360 nan 0.000 0.477 398 F N 0.591 120.531 119.950 -0.016 0.000 2.219 398 F HA 0.026 4.554 4.527 0.001 0.000 0.294 398 F C 1.889 177.673 175.800 -0.026 0.000 1.086 398 F CA 0.606 58.593 58.000 -0.022 0.000 1.330 398 F CB -0.128 38.855 39.000 -0.027 0.000 1.047 398 F HN -0.107 nan 8.300 nan 0.000 0.495 399 L N -0.124 120.954 121.223 -0.242 0.000 2.201 399 L HA -0.159 4.182 4.340 0.001 0.000 0.212 399 L C 2.081 178.817 176.870 -0.223 0.000 1.105 399 L CA 0.417 55.054 54.840 -0.337 0.000 0.775 399 L CB -0.350 41.603 42.059 -0.177 0.000 0.913 399 L HN 0.130 nan 8.230 nan 0.000 0.440 400 I N -0.269 120.227 120.570 -0.123 0.000 2.163 400 I HA -0.246 3.925 4.170 0.001 0.000 0.240 400 I C 2.193 178.257 176.117 -0.088 0.000 1.081 400 I CA 1.247 62.505 61.300 -0.069 0.000 1.353 400 I CB -1.522 36.471 38.000 -0.011 0.000 1.054 400 I HN 0.349 nan 8.210 nan 0.000 0.407 401 N N 1.124 119.764 118.700 -0.100 0.000 2.166 401 N HA -0.155 4.586 4.740 0.001 0.000 0.186 401 N C 1.579 177.017 175.510 -0.121 0.000 1.019 401 N CA 0.978 53.979 53.050 -0.082 0.000 0.856 401 N CB -0.077 38.386 38.487 -0.040 0.000 0.993 401 N HN 0.334 nan 8.380 nan 0.000 0.426 402 K N 0.791 121.054 120.400 -0.229 0.000 2.432 402 K HA 0.064 4.384 4.320 0.001 0.000 0.196 402 K C 1.799 178.311 176.600 -0.146 0.000 1.038 402 K CA 0.111 56.261 56.287 -0.227 0.000 0.986 402 K CB 0.044 32.300 32.500 -0.407 0.000 0.782 402 K HN 0.234 nan 8.250 nan 0.000 0.485 403 L N -0.115 121.033 121.223 -0.125 0.000 2.463 403 L HA 0.133 4.474 4.340 0.001 0.000 0.219 403 L C 1.887 178.729 176.870 -0.047 0.000 1.088 403 L CA 0.268 55.066 54.840 -0.070 0.000 0.849 403 L CB 0.031 42.053 42.059 -0.061 0.000 1.012 403 L HN -0.004 nan 8.230 nan 0.000 0.468 404 A N -0.637 122.154 122.820 -0.050 0.000 2.119 404 A HA -0.092 4.229 4.320 0.001 0.000 0.216 404 A C 2.095 179.662 177.584 -0.029 0.000 1.152 404 A CA 0.838 52.855 52.037 -0.033 0.000 0.708 404 A CB -0.316 18.668 19.000 -0.027 0.000 0.805 404 A HN 0.398 nan 8.150 nan 0.000 0.460 405 M N -0.162 119.417 119.600 -0.035 0.000 2.132 405 M HA -0.045 4.436 4.480 0.001 0.000 0.263 405 M C 1.414 177.701 176.300 -0.021 0.000 1.065 405 M CA 1.701 56.984 55.300 -0.028 0.000 1.122 405 M CB -0.163 32.417 32.600 -0.033 0.000 1.365 405 M HN 0.623 nan 8.290 nan 0.000 0.411 406 T N -3.641 110.901 114.554 -0.020 0.000 2.544 406 T HA 0.315 4.665 4.350 0.001 0.000 0.244 406 T C 0.416 175.109 174.700 -0.011 0.000 0.829 406 T CA -0.981 61.111 62.100 -0.013 0.000 1.210 406 T CB 1.787 70.652 68.868 -0.006 0.000 1.487 406 T HN -0.059 nan 8.240 nan 0.000 0.488 407 K N 0.105 120.502 120.400 -0.005 0.000 3.031 407 K HA 0.304 4.625 4.320 0.001 0.000 0.165 407 K C 0.842 177.447 176.600 0.010 0.000 1.137 407 K CA 0.910 57.196 56.287 -0.001 0.000 1.375 407 K CB -0.367 32.132 32.500 -0.001 0.000 1.914 407 K HN 0.691 nan 8.250 nan 0.000 0.490 408 T N -0.756 113.813 114.554 0.025 0.000 3.200 408 T HA 0.014 4.365 4.350 0.001 0.000 0.259 408 T C 1.064 175.808 174.700 0.073 0.000 0.855 408 T CA -0.383 61.743 62.100 0.044 0.000 0.865 408 T CB -0.230 68.660 68.868 0.037 0.000 1.270 408 T HN 0.348 nan 8.240 nan 0.000 0.563 409 N N 1.807 120.545 118.700 0.063 0.000 2.309 409 N HA -0.101 4.640 4.740 0.001 0.000 0.182 409 N C -0.056 175.526 175.510 0.119 0.000 1.018 409 N CA 1.162 54.263 53.050 0.085 0.000 0.876 409 N CB 0.095 38.609 38.487 0.045 0.000 0.972 409 N HN 0.313 nan 8.380 nan 0.000 0.434 410 D N -0.236 120.211 120.400 0.079 0.000 2.388 410 D HA 0.002 4.643 4.640 0.001 0.000 0.221 410 D C 0.732 177.105 176.300 0.123 0.000 1.133 410 D CA -0.086 53.971 54.000 0.095 0.000 0.831 410 D CB 0.241 41.045 40.800 0.008 0.000 0.962 410 D HN 0.324 nan 8.370 nan 0.000 0.502 411 D N -0.138 120.342 120.400 0.134 0.000 2.085 411 D HA -0.147 4.494 4.640 0.001 0.000 0.199 411 D C 1.217 177.596 176.300 0.133 0.000 0.981 411 D CA 0.890 54.954 54.000 0.106 0.000 0.834 411 D CB -0.007 40.856 40.800 0.106 0.000 0.992 411 D HN 0.076 nan 8.370 nan 0.000 0.457 412 F N -0.988 119.005 119.950 0.073 0.000 2.754 412 F HA 0.180 4.707 4.527 0.001 0.000 0.297 412 F C 1.518 177.359 175.800 0.069 0.000 1.122 412 F CA -0.061 57.971 58.000 0.053 0.000 1.400 412 F CB 0.085 39.105 39.000 0.033 0.000 1.117 412 F HN -0.047 nan 8.300 nan 0.000 0.587 413 F N 1.036 121.071 119.950 0.142 0.000 2.186 413 F HA -0.062 4.466 4.527 0.001 0.000 0.299 413 F C 1.585 177.392 175.800 0.011 0.000 1.090 413 F CA 1.457 59.507 58.000 0.083 0.000 1.307 413 F CB -0.157 38.884 39.000 0.070 0.000 1.019 413 F HN -0.120 nan 8.300 nan 0.000 0.489 414 E N -0.381 119.950 120.200 0.218 0.000 2.411 414 E HA 0.034 4.385 4.350 0.001 0.000 0.228 414 E C 1.289 177.873 176.600 -0.028 0.000 1.169 414 E CA -0.156 56.299 56.400 0.092 0.000 1.421 414 E CB 0.144 29.884 29.700 0.067 0.000 1.333 414 E HN 0.307 nan 8.360 nan 0.000 0.434 415 M N -0.162 119.364 119.600 -0.125 0.000 2.188 415 M HA 0.234 4.714 4.480 0.001 0.000 0.310 415 M C -0.144 175.994 176.300 -0.270 0.000 0.993 415 M CA 0.255 55.393 55.300 -0.270 0.000 1.127 415 M CB 0.721 32.986 32.600 -0.558 0.000 1.927 415 M HN 0.203 nan 8.290 nan 0.000 0.655 416 M N 2.574 122.044 119.600 -0.215 0.000 2.269 416 M HA 0.063 4.544 4.480 0.001 0.000 0.350 416 M C -0.278 175.981 176.300 -0.069 0.000 1.429 416 M CA 1.082 56.303 55.300 -0.132 0.000 1.063 416 M CB 0.369 32.920 32.600 -0.081 0.000 1.841 416 M HN -0.009 nan 8.290 nan 0.000 0.455 417 K N 0.000 120.369 120.400 -0.051 0.000 2.780 417 K HA 0.000 4.321 4.320 0.001 0.000 0.191 417 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 417 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 417 K HN 0.000 nan 8.250 nan 0.000 0.543