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 2eiv_1_K DATA FIRST_RESID 2 DATA SEQUENCE ERVAVVGVPM DLXXXXXGVD MGPSALRYAR LLEQLEDLGY TVEDLGDVPV DATA SEQUENCE SXXXXXXXXX XXLAYLEEIR AAALVLKERL AALPEGVFPI VLGGDHSLSM DATA SEQUENCE GSVAGAARGR RVGVVWVDAH ADFNTPETSX SGNVHGMPLA VLSGLGHPRL DATA SEQUENCE TEVFRAVDPK DVVLVGVRSL DPGEKRLLKE AGVRVYTMHE VDRLGVARIA DATA SEQUENCE EEVLKHLQGL PLHVSLDADV LDPTLAPGVG TPVPGGLTYR EAHLLMEILA DATA SEQUENCE ESGRVQSLDL VEVNPILDER NRTAEMLVGL ALSLLGKRIF 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.720 176.600 0.200 0.000 1.382 2 E CA 0.000 56.471 56.400 0.119 0.000 0.976 2 E CB 0.000 29.724 29.700 0.040 0.000 0.812 3 R N 1.325 121.956 120.500 0.217 0.000 2.409 3 R HA 0.688 5.029 4.340 0.001 0.000 0.313 3 R C -1.457 174.937 176.300 0.157 0.000 0.953 3 R CA -0.686 55.510 56.100 0.161 0.000 0.849 3 R CB 2.608 32.974 30.300 0.110 0.000 1.171 3 R HN -0.046 nan 8.270 nan 0.000 0.458 4 V N 1.772 121.746 119.914 0.100 0.000 2.715 4 V HA 0.752 4.873 4.120 0.001 0.000 0.310 4 V C -0.661 175.456 176.094 0.037 0.000 1.054 4 V CA -0.666 61.651 62.300 0.028 0.000 0.928 4 V CB 2.036 33.741 31.823 -0.197 0.000 1.007 4 V HN 0.859 nan 8.190 nan 0.000 0.437 5 A N 4.113 126.969 122.820 0.060 0.000 2.353 5 A HA 0.806 5.126 4.320 0.001 0.000 0.299 5 A C -1.214 176.392 177.584 0.036 0.000 1.089 5 A CA -0.440 51.624 52.037 0.044 0.000 0.736 5 A CB 1.558 20.590 19.000 0.052 0.000 1.195 5 A HN 0.610 nan 8.150 nan 0.000 0.447 6 V N 2.893 122.813 119.914 0.009 0.000 2.417 6 V HA 0.614 4.735 4.120 0.001 0.000 0.291 6 V C -0.340 175.756 176.094 0.003 0.000 1.024 6 V CA -0.472 61.828 62.300 -0.000 0.000 0.861 6 V CB 1.450 33.257 31.823 -0.026 0.000 0.985 6 V HN 0.777 nan 8.190 nan 0.000 0.436 7 V N 4.065 123.983 119.914 0.008 0.000 2.789 7 V HA 0.916 5.036 4.120 0.001 0.000 0.311 7 V C 0.219 176.316 176.094 0.005 0.000 1.073 7 V CA -0.082 62.224 62.300 0.009 0.000 0.921 7 V CB 2.317 34.150 31.823 0.017 0.000 1.009 7 V HN 0.935 nan 8.190 nan 0.000 0.426 8 G N 3.864 112.668 108.800 0.006 0.000 2.372 8 G HA2 0.569 4.530 3.960 0.001 0.000 0.323 8 G HA3 0.569 4.530 3.960 0.001 0.000 0.323 8 G C -1.152 173.752 174.900 0.007 0.000 1.152 8 G CA -0.377 44.726 45.100 0.005 0.000 0.906 8 G HN 0.776 nan 8.290 nan 0.000 0.460 9 V N 4.341 124.257 119.914 0.003 0.000 2.235 9 V HA 0.235 4.356 4.120 0.001 0.000 0.266 9 V C -2.118 173.976 176.094 -0.001 0.000 1.055 9 V CA -1.450 60.851 62.300 0.003 0.000 0.844 9 V CB 1.476 33.301 31.823 0.002 0.000 1.097 9 V HN 0.596 nan 8.190 nan 0.000 0.453 10 P HA 0.184 nan 4.420 nan 0.000 0.241 10 P C -0.280 177.013 177.300 -0.012 0.000 1.760 10 P CA 0.274 63.372 63.100 -0.004 0.000 1.081 10 P CB -0.071 31.631 31.700 0.003 0.000 1.975 11 M N 2.030 121.621 119.600 -0.015 0.000 2.114 11 M HA 0.376 4.856 4.480 0.001 0.000 0.332 11 M C -1.244 175.037 176.300 -0.031 0.000 1.014 11 M CA -0.463 54.822 55.300 -0.024 0.000 0.956 11 M CB 1.207 33.799 32.600 -0.013 0.000 1.551 11 M HN -0.164 nan 8.290 nan 0.000 0.427 12 D N 6.765 127.130 120.400 -0.058 0.000 2.454 12 D HA 0.569 5.210 4.640 0.001 0.000 0.247 12 D C -1.490 174.714 176.300 -0.159 0.000 1.129 12 D CA -0.006 53.953 54.000 -0.067 0.000 0.877 12 D CB 0.875 41.641 40.800 -0.058 0.000 1.082 12 D HN 0.711 nan 8.370 nan 0.000 0.537 20 V N 1.576 121.469 119.914 -0.034 0.000 2.660 20 V HA -0.091 4.029 4.120 0.001 0.000 0.257 20 V C 2.226 178.301 176.094 -0.032 0.000 1.088 20 V CA 2.602 64.877 62.300 -0.041 0.000 1.106 20 V CB -0.943 30.846 31.823 -0.058 0.000 0.686 20 V HN 0.566 nan 8.190 nan 0.000 0.481 21 D N 0.322 120.704 120.400 -0.029 0.000 2.389 21 D HA -0.228 4.413 4.640 0.001 0.000 0.221 21 D C 1.699 177.990 176.300 -0.015 0.000 0.974 21 D CA 1.459 55.445 54.000 -0.023 0.000 0.923 21 D CB -0.326 40.458 40.800 -0.026 0.000 0.892 21 D HN 0.552 nan 8.370 nan 0.000 0.518 22 M N -0.220 119.371 119.600 -0.016 0.000 2.441 22 M HA 0.231 4.712 4.480 0.001 0.000 0.244 22 M C 2.160 178.460 176.300 -0.000 0.000 1.122 22 M CA 0.381 55.676 55.300 -0.009 0.000 1.041 22 M CB 0.698 33.288 32.600 -0.017 0.000 1.438 22 M HN 0.056 nan 8.290 nan 0.000 0.484 23 G N 2.158 110.951 108.800 -0.011 0.000 2.469 23 G HA2 -0.182 3.779 3.960 0.001 0.000 0.220 23 G HA3 -0.182 3.779 3.960 0.001 0.000 0.220 23 G C -1.122 173.780 174.900 0.004 0.000 1.136 23 G CA 0.784 45.877 45.100 -0.011 0.000 0.759 23 G HN 0.326 nan 8.290 nan 0.000 0.562 24 P HA -0.060 nan 4.420 nan 0.000 0.214 24 P C 2.345 179.675 177.300 0.050 0.000 1.163 24 P CA 1.742 64.852 63.100 0.016 0.000 0.883 24 P CB -0.132 31.577 31.700 0.015 0.000 0.788 25 S N -0.621 115.127 115.700 0.080 0.000 2.374 25 S HA -0.223 4.247 4.470 0.001 0.000 0.227 25 S C 2.030 176.786 174.600 0.259 0.000 1.037 25 S CA 1.624 59.933 58.200 0.181 0.000 1.024 25 S CB -1.168 62.117 63.200 0.142 0.000 0.861 25 S HN 0.141 nan 8.310 nan 0.000 0.456 26 A N 1.024 123.921 122.820 0.129 0.000 1.898 26 A HA 0.014 4.335 4.320 0.001 0.000 0.216 26 A C 2.113 179.766 177.584 0.116 0.000 1.181 26 A CA 1.088 53.196 52.037 0.117 0.000 0.620 26 A CB -0.670 18.354 19.000 0.040 0.000 0.819 26 A HN 0.462 nan 8.150 nan 0.000 0.442 27 L N -1.165 120.097 121.223 0.064 0.000 2.079 27 L HA -0.215 4.126 4.340 0.001 0.000 0.210 27 L C 2.883 179.761 176.870 0.014 0.000 1.081 27 L CA 1.593 56.448 54.840 0.026 0.000 0.752 27 L CB -0.369 41.690 42.059 -0.001 0.000 0.896 27 L HN 0.352 nan 8.230 nan 0.000 0.433 28 R N -1.395 119.112 120.500 0.012 0.000 2.090 28 R HA -0.135 4.206 4.340 0.001 0.000 0.228 28 R C 2.050 178.234 176.300 -0.193 0.000 1.110 28 R CA 1.255 57.297 56.100 -0.097 0.000 0.973 28 R CB -0.283 29.934 30.300 -0.138 0.000 0.869 28 R HN 0.265 nan 8.270 nan 0.000 0.440 29 Y N -0.170 120.124 120.300 -0.011 0.000 2.616 29 Y HA 0.039 4.590 4.550 0.001 0.000 0.296 29 Y C 1.784 177.679 175.900 -0.008 0.000 1.154 29 Y CA 0.501 58.595 58.100 -0.009 0.000 1.325 29 Y CB 0.184 38.639 38.460 -0.009 0.000 1.007 29 Y HN 0.089 nan 8.280 nan 0.000 0.542 30 A N 0.936 123.800 122.820 0.074 0.000 2.327 30 A HA 0.113 4.434 4.320 0.001 0.000 0.228 30 A C 0.715 178.303 177.584 0.007 0.000 1.275 30 A CA -0.259 51.804 52.037 0.044 0.000 0.875 30 A CB -0.881 18.141 19.000 0.036 0.000 0.925 30 A HN 0.504 nan 8.150 nan 0.000 0.493 31 R N -1.721 118.764 120.500 -0.026 0.000 3.127 31 R HA -0.216 4.125 4.340 0.001 0.000 0.247 31 R C 0.355 176.632 176.300 -0.039 0.000 0.896 31 R CA 0.849 56.920 56.100 -0.048 0.000 0.624 31 R CB -2.565 27.718 30.300 -0.028 0.000 1.154 31 R HN 0.459 nan 8.270 nan 0.000 0.474 32 L N 0.946 122.139 121.223 -0.049 0.000 2.007 32 L HA -0.011 4.329 4.340 0.001 0.000 0.205 32 L C 2.262 179.101 176.870 -0.052 0.000 1.073 32 L CA 1.623 56.435 54.840 -0.047 0.000 0.744 32 L CB -0.364 41.664 42.059 -0.052 0.000 0.898 32 L HN 0.492 nan 8.230 nan 0.000 0.435 33 L N -0.191 120.996 121.223 -0.060 0.000 1.997 33 L HA -0.293 4.048 4.340 0.001 0.000 0.216 33 L C 2.565 179.416 176.870 -0.031 0.000 1.074 33 L CA 1.971 56.781 54.840 -0.051 0.000 0.763 33 L CB -0.586 41.438 42.059 -0.058 0.000 0.890 33 L HN 0.327 nan 8.230 nan 0.000 0.434 34 E N -0.699 119.482 120.200 -0.032 0.000 2.106 34 E HA -0.225 4.126 4.350 0.001 0.000 0.192 34 E C 2.172 178.771 176.600 -0.003 0.000 0.984 34 E CA 0.982 57.372 56.400 -0.017 0.000 0.806 34 E CB -0.170 29.516 29.700 -0.023 0.000 0.750 34 E HN 0.527 nan 8.360 nan 0.000 0.458 35 Q N -0.121 119.676 119.800 -0.005 0.000 2.297 35 Q HA 0.019 4.360 4.340 0.001 0.000 0.204 35 Q C 2.004 178.023 176.000 0.031 0.000 0.962 35 Q CA 0.600 56.408 55.803 0.008 0.000 0.879 35 Q CB 0.052 28.792 28.738 0.003 0.000 0.947 35 Q HN 0.308 nan 8.270 nan 0.000 0.462 36 L N 0.123 121.363 121.223 0.028 0.000 2.179 36 L HA -0.122 4.218 4.340 0.001 0.000 0.208 36 L C 2.049 179.025 176.870 0.176 0.000 1.096 36 L CA 0.862 55.754 54.840 0.087 0.000 0.779 36 L CB -0.077 41.955 42.059 -0.045 0.000 0.922 36 L HN 0.215 nan 8.230 nan 0.000 0.443 37 E N 0.158 120.406 120.200 0.081 0.000 2.028 37 E HA -0.221 4.129 4.350 0.001 0.000 0.191 37 E C 1.724 178.346 176.600 0.036 0.000 0.988 37 E CA 1.294 57.730 56.400 0.061 0.000 0.799 37 E CB 0.107 29.822 29.700 0.025 0.000 0.755 37 E HN 0.332 nan 8.360 nan 0.000 0.447 38 D N 0.260 120.675 120.400 0.025 0.000 2.172 38 D HA -0.176 4.464 4.640 0.001 0.000 0.196 38 D C 1.685 177.985 176.300 0.001 0.000 0.999 38 D CA 0.711 54.716 54.000 0.008 0.000 0.856 38 D CB -0.095 40.710 40.800 0.009 0.000 0.934 38 D HN 0.087 nan 8.370 nan 0.000 0.453 39 L N -0.974 120.269 121.223 0.034 0.000 2.291 39 L HA 0.114 4.455 4.340 0.001 0.000 0.214 39 L C 1.799 178.575 176.870 -0.156 0.000 1.120 39 L CA 1.644 56.488 54.840 0.006 0.000 0.799 39 L CB -0.154 42.004 42.059 0.165 0.000 0.925 39 L HN 0.261 nan 8.230 nan 0.000 0.446 40 G N -3.671 105.038 108.800 -0.151 0.000 2.367 40 G HA2 -0.232 3.728 3.960 0.001 0.000 0.181 40 G HA3 -0.232 3.728 3.960 0.001 0.000 0.181 40 G C 0.071 174.808 174.900 -0.271 0.000 1.000 40 G CA -0.150 44.798 45.100 -0.253 0.000 0.693 40 G HN 0.199 nan 8.290 nan 0.000 0.480 41 Y N 2.095 122.369 120.300 -0.043 0.000 2.314 41 Y HA 0.469 5.019 4.550 0.001 0.000 0.334 41 Y C 1.282 177.165 175.900 -0.028 0.000 1.266 41 Y CA 0.724 58.800 58.100 -0.041 0.000 1.391 41 Y CB 0.818 39.239 38.460 -0.064 0.000 1.306 41 Y HN 0.123 nan 8.280 nan 0.000 0.558 42 T N -0.218 114.433 114.554 0.161 0.000 2.929 42 T HA 0.545 4.896 4.350 0.001 0.000 0.331 42 T C -0.662 174.089 174.700 0.084 0.000 1.120 42 T CA -0.811 61.340 62.100 0.086 0.000 0.973 42 T CB -0.505 68.398 68.868 0.058 0.000 1.036 42 T HN 0.316 nan 8.240 nan 0.000 0.502 43 V N 3.178 123.128 119.914 0.060 0.000 2.465 43 V HA 0.419 4.539 4.120 0.001 0.000 0.279 43 V C 0.402 176.504 176.094 0.014 0.000 1.045 43 V CA -0.682 61.634 62.300 0.027 0.000 0.938 43 V CB 1.294 33.119 31.823 0.004 0.000 0.986 43 V HN 0.843 nan 8.190 nan 0.000 0.467 44 E N 2.612 122.820 120.200 0.012 0.000 2.158 44 E HA 0.273 4.623 4.350 0.001 0.000 0.271 44 E C -1.447 175.154 176.600 0.002 0.000 0.911 44 E CA -0.616 55.790 56.400 0.010 0.000 0.767 44 E CB 1.805 31.516 29.700 0.018 0.000 1.120 44 E HN 0.713 nan 8.360 nan 0.000 0.405 45 D N 4.451 124.848 120.400 -0.004 0.000 2.359 45 D HA 0.156 4.796 4.640 0.001 0.000 0.230 45 D C 0.655 176.955 176.300 -0.001 0.000 1.118 45 D CA -0.300 53.694 54.000 -0.009 0.000 0.844 45 D CB 0.791 41.578 40.800 -0.021 0.000 1.059 45 D HN 0.432 nan 8.370 nan 0.000 0.493 46 L N 2.830 124.056 121.223 0.004 0.000 2.612 46 L HA 0.351 4.692 4.340 0.001 0.000 0.230 46 L C 1.527 178.403 176.870 0.009 0.000 1.140 46 L CA -0.102 54.743 54.840 0.009 0.000 0.896 46 L CB -0.891 41.177 42.059 0.015 0.000 1.065 46 L HN 0.592 nan 8.230 nan 0.000 0.447 47 G N 0.810 109.613 108.800 0.005 0.000 2.542 47 G HA2 -0.209 3.752 3.960 0.001 0.000 0.235 47 G HA3 -0.209 3.752 3.960 0.001 0.000 0.235 47 G C -1.023 173.884 174.900 0.011 0.000 1.286 47 G CA -0.403 44.702 45.100 0.008 0.000 0.904 47 G HN 0.232 nan 8.290 nan 0.000 0.577 48 D N -0.289 120.120 120.400 0.014 0.000 2.498 48 D HA 0.499 5.139 4.640 0.001 0.000 0.247 48 D C 0.166 176.476 176.300 0.016 0.000 1.070 48 D CA -0.370 53.638 54.000 0.014 0.000 0.842 48 D CB 1.982 42.791 40.800 0.015 0.000 1.361 48 D HN 0.430 nan 8.370 nan 0.000 0.484 49 V N 3.770 123.694 119.914 0.017 0.000 2.485 49 V HA 0.093 4.213 4.120 0.001 0.000 0.287 49 V C -1.857 174.249 176.094 0.020 0.000 1.022 49 V CA -0.951 61.362 62.300 0.020 0.000 1.067 49 V CB 0.265 32.102 31.823 0.022 0.000 0.967 49 V HN 0.392 nan 8.190 nan 0.000 0.479 50 P HA 0.033 nan 4.420 nan 0.000 0.264 50 P C -0.924 176.389 177.300 0.022 0.000 1.173 50 P CA 0.405 63.518 63.100 0.022 0.000 0.761 50 P CB 0.287 32.002 31.700 0.025 0.000 0.794 51 V N 0.734 120.658 119.914 0.018 0.000 2.663 51 V HA 0.485 4.606 4.120 0.001 0.000 0.286 51 V C 0.476 176.578 176.094 0.013 0.000 1.085 51 V CA -0.510 61.799 62.300 0.014 0.000 0.916 51 V CB 0.856 32.680 31.823 0.001 0.000 1.039 51 V HN 0.691 nan 8.190 nan 0.000 0.453 65 A N -0.005 122.768 122.820 -0.079 0.000 2.608 65 A HA 0.065 4.386 4.320 0.001 0.000 0.239 65 A C 0.187 177.784 177.584 0.020 0.000 1.018 65 A CA 1.335 53.319 52.037 -0.088 0.000 0.766 65 A CB -0.854 18.132 19.000 -0.023 0.000 0.928 65 A HN 0.644 nan 8.150 nan 0.000 0.512 66 Y N -0.498 119.773 120.300 -0.048 0.000 3.666 66 Y HA -0.371 4.179 4.550 0.001 0.000 0.412 66 Y C 1.661 177.541 175.900 -0.034 0.000 1.125 66 Y CA 1.507 59.587 58.100 -0.033 0.000 2.428 66 Y CB -1.930 36.515 38.460 -0.025 0.000 0.885 66 Y HN 0.713 nan 8.280 nan 0.000 0.504 67 L N 0.257 121.524 121.223 0.073 0.000 2.166 67 L HA -0.432 3.909 4.340 0.001 0.000 0.228 67 L C 2.398 179.294 176.870 0.044 0.000 1.101 67 L CA 2.592 57.441 54.840 0.014 0.000 0.821 67 L CB -0.244 41.747 42.059 -0.113 0.000 0.908 67 L HN 0.372 nan 8.230 nan 0.000 0.447 68 E N 0.365 120.585 120.200 0.032 0.000 2.012 68 E HA -0.265 4.086 4.350 0.001 0.000 0.197 68 E C 2.039 178.692 176.600 0.089 0.000 1.007 68 E CA 1.951 58.383 56.400 0.053 0.000 0.816 68 E CB -0.313 29.406 29.700 0.031 0.000 0.762 68 E HN 0.606 nan 8.360 nan 0.000 0.451 69 E N 0.244 120.509 120.200 0.108 0.000 2.187 69 E HA -0.179 4.172 4.350 0.001 0.000 0.199 69 E C 2.160 178.821 176.600 0.102 0.000 1.004 69 E CA 1.008 57.478 56.400 0.117 0.000 0.813 69 E CB -0.220 29.581 29.700 0.169 0.000 0.736 69 E HN 0.288 nan 8.360 nan 0.000 0.468 70 I N 0.163 120.796 120.570 0.106 0.000 2.072 70 I HA -0.325 3.846 4.170 0.001 0.000 0.235 70 I C 2.614 178.803 176.117 0.120 0.000 1.058 70 I CA 1.313 62.663 61.300 0.083 0.000 1.320 70 I CB -0.292 37.752 38.000 0.073 0.000 1.047 70 I HN 0.047 nan 8.210 nan 0.000 0.397 71 R N 1.017 121.635 120.500 0.198 0.000 2.159 71 R HA -0.316 4.024 4.340 0.001 0.000 0.252 71 R C 2.261 178.716 176.300 0.257 0.000 1.144 71 R CA 2.226 58.535 56.100 0.348 0.000 0.961 71 R CB -0.509 29.945 30.300 0.257 0.000 0.877 71 R HN 0.460 nan 8.270 nan 0.000 0.444 72 A N 0.520 123.432 122.820 0.154 0.000 1.869 72 A HA -0.232 4.089 4.320 0.001 0.000 0.218 72 A C 2.406 180.056 177.584 0.110 0.000 1.203 72 A CA 2.411 54.516 52.037 0.113 0.000 0.638 72 A CB -1.197 17.854 19.000 0.085 0.000 0.831 72 A HN 0.630 nan 8.150 nan 0.000 0.450 73 A N -0.442 122.431 122.820 0.089 0.000 1.834 73 A HA 0.099 4.419 4.320 0.001 0.000 0.216 73 A C 2.621 180.242 177.584 0.061 0.000 1.203 73 A CA 2.944 55.017 52.037 0.061 0.000 0.621 73 A CB -1.488 17.533 19.000 0.035 0.000 0.841 73 A HN 1.425 nan 8.150 nan 0.000 0.446 74 A N -0.581 122.260 122.820 0.035 0.000 1.909 74 A HA -0.247 4.074 4.320 0.001 0.000 0.221 74 A C 2.249 179.881 177.584 0.081 0.000 1.223 74 A CA 2.231 54.221 52.037 -0.078 0.000 0.658 74 A CB -0.911 17.832 19.000 -0.427 0.000 0.831 74 A HN 0.980 nan 8.150 nan 0.000 0.462 75 L N -0.232 121.196 121.223 0.341 0.000 2.201 75 L HA -0.078 4.263 4.340 0.001 0.000 0.212 75 L C 2.211 179.183 176.870 0.171 0.000 1.105 75 L CA 1.500 56.551 54.840 0.351 0.000 0.775 75 L CB -0.174 42.054 42.059 0.282 0.000 0.913 75 L HN 0.165 nan 8.230 nan 0.000 0.440 76 V N -0.368 119.618 119.914 0.121 0.000 2.568 76 V HA -0.254 3.866 4.120 0.001 0.000 0.253 76 V C 2.225 178.360 176.094 0.069 0.000 1.072 76 V CA 1.745 64.093 62.300 0.079 0.000 1.084 76 V CB -0.623 31.236 31.823 0.061 0.000 0.676 76 V HN 0.523 nan 8.190 nan 0.000 0.469 77 L N 0.374 121.639 121.223 0.070 0.000 2.115 77 L HA 0.049 4.389 4.340 0.001 0.000 0.200 77 L C 2.476 179.387 176.870 0.069 0.000 1.094 77 L CA 2.114 56.985 54.840 0.051 0.000 0.769 77 L CB -0.907 41.165 42.059 0.021 0.000 0.931 77 L HN 0.185 nan 8.230 nan 0.000 0.455 78 K N -0.179 120.279 120.400 0.097 0.000 2.097 78 K HA -0.308 4.012 4.320 0.001 0.000 0.214 78 K C 1.831 178.493 176.600 0.104 0.000 1.052 78 K CA 2.407 58.770 56.287 0.127 0.000 0.932 78 K CB -0.347 32.312 32.500 0.266 0.000 0.716 78 K HN 0.565 nan 8.250 nan 0.000 0.455 79 E N -0.098 120.165 120.200 0.106 0.000 2.005 79 E HA -0.245 4.106 4.350 0.001 0.000 0.198 79 E C 2.217 178.850 176.600 0.056 0.000 1.010 79 E CA 1.361 57.806 56.400 0.075 0.000 0.825 79 E CB -0.216 29.526 29.700 0.070 0.000 0.769 79 E HN 0.189 nan 8.360 nan 0.000 0.456 80 R N 1.198 121.729 120.500 0.052 0.000 2.119 80 R HA -0.167 4.174 4.340 0.001 0.000 0.246 80 R C 2.254 178.577 176.300 0.038 0.000 1.146 80 R CA 1.378 57.502 56.100 0.041 0.000 0.962 80 R CB -0.818 29.505 30.300 0.038 0.000 0.863 80 R HN 0.209 nan 8.270 nan 0.000 0.442 81 L N -0.708 120.540 121.223 0.042 0.000 2.083 81 L HA -0.090 4.251 4.340 0.001 0.000 0.209 81 L C 2.421 179.311 176.870 0.034 0.000 1.083 81 L CA 1.305 56.168 54.840 0.038 0.000 0.752 81 L CB -0.626 41.459 42.059 0.044 0.000 0.899 81 L HN 0.309 nan 8.230 nan 0.000 0.433 82 A N -0.013 122.831 122.820 0.040 0.000 1.969 82 A HA -0.053 4.267 4.320 0.001 0.000 0.218 82 A C 2.489 180.091 177.584 0.029 0.000 1.169 82 A CA 1.432 53.490 52.037 0.035 0.000 0.635 82 A CB -0.469 18.555 19.000 0.041 0.000 0.810 82 A HN 0.380 nan 8.150 nan 0.000 0.445 83 A N -0.342 122.496 122.820 0.030 0.000 2.014 83 A HA 0.251 4.571 4.320 0.001 0.000 0.218 83 A C 1.089 178.688 177.584 0.024 0.000 1.163 83 A CA 0.035 52.087 52.037 0.026 0.000 0.652 83 A CB -0.502 18.514 19.000 0.026 0.000 0.808 83 A HN 0.447 nan 8.150 nan 0.000 0.449 84 L N 0.674 121.912 121.223 0.025 0.000 2.573 84 L HA 0.032 4.373 4.340 0.001 0.000 0.290 84 L C -1.954 174.930 176.870 0.024 0.000 1.247 84 L CA -1.184 53.672 54.840 0.025 0.000 0.876 84 L CB -0.316 41.758 42.059 0.026 0.000 1.123 84 L HN 0.128 nan 8.230 nan 0.000 0.505 85 P HA 0.003 nan 4.420 nan 0.000 0.270 85 P C -0.350 176.964 177.300 0.025 0.000 1.221 85 P CA -0.047 63.068 63.100 0.025 0.000 0.788 85 P CB 0.452 32.169 31.700 0.028 0.000 0.904 86 E N 0.056 120.269 120.200 0.023 0.000 2.343 86 E HA 0.321 4.672 4.350 0.001 0.000 0.269 86 E C 1.057 177.674 176.600 0.029 0.000 1.047 86 E CA 0.492 56.905 56.400 0.021 0.000 0.874 86 E CB 0.440 30.151 29.700 0.019 0.000 1.033 86 E HN 0.760 nan 8.360 nan 0.000 0.409 87 G N 1.460 110.279 108.800 0.031 0.000 2.195 87 G HA2 -0.265 3.696 3.960 0.001 0.000 0.246 87 G HA3 -0.265 3.696 3.960 0.001 0.000 0.246 87 G C 0.203 175.149 174.900 0.076 0.000 0.984 87 G CA 0.095 45.225 45.100 0.050 0.000 0.633 87 G HN 0.397 nan 8.290 nan 0.000 0.525 88 V N 1.868 121.820 119.914 0.064 0.000 2.408 88 V HA 0.493 4.614 4.120 0.001 0.000 0.267 88 V C 0.526 176.682 176.094 0.103 0.000 1.047 88 V CA -0.531 61.824 62.300 0.090 0.000 0.937 88 V CB 0.945 32.807 31.823 0.065 0.000 0.999 88 V HN 0.333 nan 8.190 nan 0.000 0.472 89 F N 9.354 129.303 119.950 -0.001 0.000 2.504 89 F HA 0.399 4.926 4.527 0.001 0.000 0.369 89 F C -1.869 173.899 175.800 -0.052 0.000 1.082 89 F CA -1.488 56.492 58.000 -0.033 0.000 1.216 89 F CB 1.109 40.066 39.000 -0.071 0.000 1.108 89 F HN 0.328 nan 8.300 nan 0.000 0.554 90 P HA 0.406 nan 4.420 nan 0.000 0.304 90 P C -1.193 176.204 177.300 0.162 0.000 1.365 90 P CA -0.431 62.729 63.100 0.100 0.000 0.935 90 P CB 2.289 33.981 31.700 -0.013 0.000 1.091 91 I N 3.202 123.858 120.570 0.143 0.000 2.493 91 I HA 0.219 4.390 4.170 0.001 0.000 0.279 91 I C 0.144 176.278 176.117 0.029 0.000 1.045 91 I CA -1.174 60.182 61.300 0.093 0.000 1.106 91 I CB 2.010 40.039 38.000 0.048 0.000 1.216 91 I HN 0.046 nan 8.210 nan 0.000 0.459 92 V N 5.464 125.387 119.914 0.015 0.000 2.530 92 V HA 0.303 4.423 4.120 0.001 0.000 0.282 92 V C 0.319 176.406 176.094 -0.012 0.000 1.048 92 V CA -0.581 61.725 62.300 0.009 0.000 0.997 92 V CB 0.987 32.824 31.823 0.023 0.000 0.987 92 V HN 0.491 nan 8.190 nan 0.000 0.477 93 L N 5.068 126.284 121.223 -0.012 0.000 2.295 93 L HA 0.507 4.847 4.340 0.001 0.000 0.288 93 L C 1.044 177.901 176.870 -0.023 0.000 1.079 93 L CA 0.150 54.977 54.840 -0.021 0.000 0.830 93 L CB 0.661 42.712 42.059 -0.014 0.000 1.200 93 L HN 0.938 nan 8.230 nan 0.000 0.438 94 G N 1.769 110.544 108.800 -0.042 0.000 2.476 94 G HA2 0.533 4.494 3.960 0.001 0.000 0.286 94 G HA3 0.533 4.494 3.960 0.001 0.000 0.286 94 G C 0.275 175.146 174.900 -0.047 0.000 1.177 94 G CA 0.288 45.359 45.100 -0.047 0.000 0.870 94 G HN 0.712 nan 8.290 nan 0.000 0.528 95 G N -0.596 108.180 108.800 -0.039 0.000 2.890 95 G HA2 0.286 4.246 3.960 0.001 0.000 0.199 95 G HA3 0.286 4.246 3.960 0.001 0.000 0.199 95 G C -0.501 174.372 174.900 -0.046 0.000 1.729 95 G CA -0.291 44.785 45.100 -0.040 0.000 0.767 95 G HN 0.506 nan 8.290 nan 0.000 0.804 96 D N 0.332 120.724 120.400 -0.013 0.000 2.425 96 D HA 0.114 4.755 4.640 0.001 0.000 0.247 96 D C 0.559 176.909 176.300 0.084 0.000 1.147 96 D CA 0.147 54.155 54.000 0.014 0.000 0.879 96 D CB 1.333 42.201 40.800 0.115 0.000 1.179 96 D HN 0.479 nan 8.370 nan 0.000 0.456 97 H N 1.060 120.114 119.070 -0.027 0.000 2.568 97 H HA -0.064 4.492 4.556 0.001 0.000 0.281 97 H C 1.321 176.730 175.328 0.135 0.000 1.028 97 H CA 0.120 56.191 56.048 0.038 0.000 1.199 97 H CB 0.566 30.374 29.762 0.077 0.000 1.352 97 H HN 0.159 nan 8.280 nan 0.000 0.605 98 S N 0.138 115.985 115.700 0.245 0.000 2.561 98 S HA -0.065 4.406 4.470 0.001 0.000 0.225 98 S C 1.847 176.478 174.600 0.051 0.000 0.977 98 S CA 0.418 58.708 58.200 0.151 0.000 0.926 98 S CB 0.012 63.294 63.200 0.137 0.000 0.769 98 S HN 0.453 nan 8.310 nan 0.000 0.533 99 L N -0.310 120.952 121.223 0.065 0.000 2.217 99 L HA 0.200 4.540 4.340 0.001 0.000 0.211 99 L C 1.946 178.814 176.870 -0.004 0.000 1.107 99 L CA 1.125 55.963 54.840 -0.005 0.000 0.783 99 L CB -1.283 40.784 42.059 0.013 0.000 0.919 99 L HN -0.064 nan 8.230 nan 0.000 0.442 100 S N 0.284 116.049 115.700 0.109 0.000 2.423 100 S HA -0.224 4.247 4.470 0.001 0.000 0.238 100 S C 1.875 176.504 174.600 0.048 0.000 1.028 100 S CA 2.147 60.438 58.200 0.152 0.000 1.000 100 S CB -0.536 62.861 63.200 0.329 0.000 0.797 100 S HN 0.478 nan 8.310 nan 0.000 0.487 101 M N 0.691 120.251 119.600 -0.067 0.000 2.126 101 M HA -0.094 4.387 4.480 0.001 0.000 0.259 101 M C 2.672 178.764 176.300 -0.346 0.000 1.073 101 M CA 1.873 57.041 55.300 -0.220 0.000 1.103 101 M CB -1.215 31.108 32.600 -0.462 0.000 1.284 101 M HN 0.462 nan 8.290 nan 0.000 0.420 102 G N -0.126 108.317 108.800 -0.596 0.000 2.432 102 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 102 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 102 G C 1.666 176.529 174.900 -0.062 0.000 1.135 102 G CA 1.354 46.242 45.100 -0.352 0.000 0.767 102 G HN 0.580 nan 8.290 nan 0.000 0.550 103 S N 0.105 115.783 115.700 -0.037 0.000 2.345 103 S HA -0.043 4.427 4.470 0.001 0.000 0.219 103 S C 2.250 176.870 174.600 0.033 0.000 1.031 103 S CA 1.293 59.522 58.200 0.048 0.000 0.984 103 S CB -0.494 62.775 63.200 0.115 0.000 0.874 103 S HN 0.071 nan 8.310 nan 0.000 0.451 104 V N 2.533 122.401 119.914 -0.077 0.000 2.626 104 V HA -0.016 4.104 4.120 0.001 0.000 0.252 104 V C 3.029 179.073 176.094 -0.083 0.000 1.067 104 V CA 1.325 63.452 62.300 -0.288 0.000 1.081 104 V CB -1.500 30.124 31.823 -0.332 0.000 0.686 104 V HN 0.676 nan 8.190 nan 0.000 0.468 105 A N 0.938 123.768 122.820 0.017 0.000 1.824 105 A HA -0.078 4.242 4.320 0.001 0.000 0.215 105 A C 2.482 180.110 177.584 0.073 0.000 1.209 105 A CA 1.888 53.983 52.037 0.098 0.000 0.614 105 A CB -1.528 17.627 19.000 0.259 0.000 0.852 105 A HN 0.477 nan 8.150 nan 0.000 0.447 106 G N -0.795 108.056 108.800 0.085 0.000 2.475 106 G HA2 -0.016 3.945 3.960 0.001 0.000 0.220 106 G HA3 -0.016 3.945 3.960 0.001 0.000 0.220 106 G C 1.594 176.523 174.900 0.047 0.000 1.125 106 G CA 1.601 46.742 45.100 0.069 0.000 0.755 106 G HN 0.909 nan 8.290 nan 0.000 0.565 107 A N 0.669 123.517 122.820 0.046 0.000 2.016 107 A HA 0.508 4.829 4.320 0.001 0.000 0.217 107 A C 2.663 180.265 177.584 0.029 0.000 1.162 107 A CA 1.596 53.661 52.037 0.046 0.000 0.662 107 A CB -0.380 18.692 19.000 0.119 0.000 0.812 107 A HN 0.674 nan 8.150 nan 0.000 0.450 108 A N 0.280 123.112 122.820 0.020 0.000 2.067 108 A HA 0.040 4.360 4.320 0.001 0.000 0.219 108 A C 1.142 178.735 177.584 0.016 0.000 1.158 108 A CA 0.648 52.694 52.037 0.015 0.000 0.661 108 A CB -0.487 18.517 19.000 0.007 0.000 0.801 108 A HN 0.675 nan 8.150 nan 0.000 0.452 109 R N -1.895 118.616 120.500 0.019 0.000 2.939 109 R HA -0.208 4.132 4.340 0.001 0.000 0.255 109 R C 1.043 177.353 176.300 0.016 0.000 0.882 109 R CA 0.297 56.408 56.100 0.018 0.000 0.658 109 R CB -2.684 27.624 30.300 0.014 0.000 1.447 109 R HN 1.497 nan 8.270 nan 0.000 0.506 110 G N -0.258 108.552 108.800 0.017 0.000 2.494 110 G HA2 -0.493 3.467 3.960 0.001 0.000 0.252 110 G HA3 -0.493 3.467 3.960 0.001 0.000 0.252 110 G C 0.564 175.472 174.900 0.013 0.000 1.025 110 G CA 1.105 46.213 45.100 0.014 0.000 0.638 110 G HN 0.688 nan 8.290 nan 0.000 0.544 111 R N 1.222 121.730 120.500 0.013 0.000 2.679 111 R HA 0.508 4.848 4.340 0.001 0.000 0.269 111 R C 0.767 177.076 176.300 0.015 0.000 1.076 111 R CA -0.770 55.338 56.100 0.013 0.000 1.160 111 R CB 0.225 30.533 30.300 0.013 0.000 1.054 111 R HN 0.383 nan 8.270 nan 0.000 0.507 112 R N 3.211 123.721 120.500 0.016 0.000 2.234 112 R HA 0.324 4.665 4.340 0.001 0.000 0.324 112 R C -0.941 175.374 176.300 0.025 0.000 1.054 112 R CA -0.390 55.721 56.100 0.019 0.000 0.912 112 R CB 0.192 30.501 30.300 0.016 0.000 1.030 112 R HN 0.459 nan 8.270 nan 0.000 0.455 113 V N 1.091 121.023 119.914 0.030 0.000 3.046 113 V HA 0.755 4.875 4.120 0.001 0.000 0.316 113 V C 0.341 176.470 176.094 0.059 0.000 1.104 113 V CA -1.088 61.238 62.300 0.045 0.000 1.006 113 V CB 1.751 33.605 31.823 0.052 0.000 1.058 113 V HN 0.782 nan 8.190 nan 0.000 0.440 114 G N 0.122 108.969 108.800 0.078 0.000 2.377 114 G HA2 0.572 4.533 3.960 0.001 0.000 0.299 114 G HA3 0.572 4.533 3.960 0.001 0.000 0.299 114 G C -1.063 173.916 174.900 0.132 0.000 1.150 114 G CA -0.582 44.577 45.100 0.097 0.000 0.847 114 G HN 0.839 nan 8.290 nan 0.000 0.501 115 V N 2.455 122.457 119.914 0.147 0.000 2.378 115 V HA 0.274 4.394 4.120 0.001 0.000 0.288 115 V C -0.187 176.043 176.094 0.226 0.000 1.016 115 V CA -0.583 61.843 62.300 0.211 0.000 0.840 115 V CB 1.669 33.615 31.823 0.206 0.000 0.994 115 V HN 0.545 nan 8.190 nan 0.000 0.431 116 V N 4.924 124.976 119.914 0.231 0.000 2.348 116 V HA 0.324 4.444 4.120 0.001 0.000 0.270 116 V C -0.323 175.926 176.094 0.259 0.000 1.037 116 V CA -0.552 61.867 62.300 0.198 0.000 0.872 116 V CB 1.282 33.179 31.823 0.123 0.000 1.002 116 V HN 0.882 nan 8.190 nan 0.000 0.464 117 W N 6.404 127.745 121.300 0.069 0.000 2.278 117 W HA 0.556 5.216 4.660 0.001 0.000 0.317 117 W C -0.782 175.783 176.519 0.077 0.000 1.030 117 W CA -0.710 56.685 57.345 0.084 0.000 1.334 117 W CB 1.863 31.347 29.460 0.041 0.000 1.215 117 W HN 0.460 nan 8.180 nan 0.000 0.405 118 V N 4.897 124.790 119.914 -0.035 0.000 2.259 118 V HA 0.293 4.413 4.120 0.001 0.000 0.267 118 V C -0.256 175.798 176.094 -0.067 0.000 1.051 118 V CA -0.366 61.927 62.300 -0.012 0.000 0.830 118 V CB 0.788 32.579 31.823 -0.052 0.000 1.080 118 V HN 0.436 nan 8.190 nan 0.000 0.467 119 D N 3.048 123.506 120.400 0.097 0.000 2.592 119 D HA 0.713 5.354 4.640 0.001 0.000 0.263 119 D C 0.589 176.959 176.300 0.116 0.000 1.132 119 D CA -0.044 54.049 54.000 0.155 0.000 0.996 119 D CB 2.988 44.074 40.800 0.476 0.000 1.442 119 D HN 0.325 nan 8.370 nan 0.000 0.486 120 A N 0.361 123.188 122.820 0.012 0.000 2.147 120 A HA 0.157 4.477 4.320 0.001 0.000 0.211 120 A C 0.226 177.616 177.584 -0.323 0.000 1.160 120 A CA 0.796 52.710 52.037 -0.204 0.000 0.781 120 A CB -0.271 18.510 19.000 -0.365 0.000 0.842 120 A HN 0.560 nan 8.150 nan 0.000 0.475 121 H N -3.117 116.067 119.070 0.190 0.000 2.676 121 H HA 0.671 5.228 4.556 0.001 0.000 0.352 121 H C 0.918 176.392 175.328 0.243 0.000 1.193 121 H CA -0.119 56.043 56.048 0.190 0.000 1.243 121 H CB 1.563 31.440 29.762 0.192 0.000 1.751 121 H HN 0.037 nan 8.280 nan 0.000 0.567 122 A N -0.090 122.894 122.820 0.273 0.000 2.195 122 A HA 0.030 4.350 4.320 0.001 0.000 0.210 122 A C 0.318 177.937 177.584 0.058 0.000 1.165 122 A CA 0.381 52.474 52.037 0.093 0.000 0.806 122 A CB -0.270 18.743 19.000 0.022 0.000 0.847 122 A HN 0.833 nan 8.150 nan 0.000 0.482 123 D N -2.237 118.296 120.400 0.221 0.000 2.782 123 D HA -0.208 4.433 4.640 0.001 0.000 0.231 123 D C -0.411 175.931 176.300 0.071 0.000 1.163 123 D CA 0.980 55.082 54.000 0.169 0.000 0.680 123 D CB -1.245 39.705 40.800 0.250 0.000 1.062 123 D HN 0.438 nan 8.370 nan 0.000 0.425 124 F N 1.202 121.076 119.950 -0.127 0.000 2.532 124 F HA 0.323 4.850 4.527 0.001 0.000 0.313 124 F C 0.210 175.963 175.800 -0.078 0.000 1.301 124 F CA -0.714 57.190 58.000 -0.160 0.000 1.154 124 F CB 0.089 38.971 39.000 -0.197 0.000 1.335 124 F HN -0.269 nan 8.300 nan 0.000 0.542 125 N N -0.194 118.457 118.700 -0.082 0.000 2.362 125 N HA 0.597 5.338 4.740 0.001 0.000 0.299 125 N C -0.776 174.644 175.510 -0.150 0.000 1.170 125 N CA -0.555 52.439 53.050 -0.093 0.000 0.825 125 N CB 1.589 40.064 38.487 -0.020 0.000 1.299 125 N HN 0.171 nan 8.380 nan 0.000 0.502 126 T N -1.357 113.121 114.554 -0.126 0.000 2.918 126 T HA 0.358 4.709 4.350 0.001 0.000 0.286 126 T C -2.114 172.554 174.700 -0.054 0.000 1.026 126 T CA -1.879 60.157 62.100 -0.107 0.000 1.031 126 T CB 1.850 70.646 68.868 -0.120 0.000 1.046 126 T HN 0.182 nan 8.240 nan 0.000 0.479 127 P HA -0.240 nan 4.420 nan 0.000 0.222 127 P C 1.144 178.435 177.300 -0.015 0.000 1.155 127 P CA 1.393 64.486 63.100 -0.012 0.000 0.890 127 P CB 0.100 31.813 31.700 0.022 0.000 0.790 128 E N -1.398 118.790 120.200 -0.019 0.000 2.047 128 E HA -0.121 4.230 4.350 0.001 0.000 0.191 128 E C 1.882 178.472 176.600 -0.016 0.000 0.987 128 E CA 1.885 58.275 56.400 -0.017 0.000 0.799 128 E CB -1.596 28.092 29.700 -0.020 0.000 0.752 128 E HN 0.397 nan 8.360 nan 0.000 0.449 129 T N -2.496 112.045 114.554 -0.021 0.000 3.148 129 T HA 0.304 4.655 4.350 0.001 0.000 0.253 129 T C 0.390 175.086 174.700 -0.007 0.000 1.134 129 T CA 0.236 62.328 62.100 -0.014 0.000 1.051 129 T CB -0.005 68.853 68.868 -0.018 0.000 0.959 129 T HN 0.011 nan 8.240 nan 0.000 0.525 133 G N 1.793 110.579 108.800 -0.023 0.000 2.390 133 G HA2 -0.252 3.708 3.960 0.001 0.000 0.299 133 G HA3 -0.252 3.708 3.960 0.001 0.000 0.299 133 G C -0.247 174.613 174.900 -0.066 0.000 1.002 133 G CA 0.612 45.689 45.100 -0.038 0.000 0.979 133 G HN 0.819 nan 8.290 nan 0.000 0.513 134 N N -1.018 117.625 118.700 -0.096 0.000 2.426 134 N HA 0.398 5.138 4.740 0.001 0.000 0.275 134 N C 1.698 177.059 175.510 -0.249 0.000 1.019 134 N CA -0.709 52.206 53.050 -0.224 0.000 0.941 134 N CB 1.579 39.888 38.487 -0.296 0.000 1.123 134 N HN -0.042 nan 8.380 nan 0.000 0.486 135 V N 1.929 121.693 119.914 -0.250 0.000 2.324 135 V HA -0.296 3.824 4.120 0.001 0.000 0.250 135 V C 1.628 177.675 176.094 -0.078 0.000 1.060 135 V CA 1.767 63.986 62.300 -0.135 0.000 1.042 135 V CB -1.062 30.716 31.823 -0.074 0.000 0.650 135 V HN 0.813 nan 8.190 nan 0.000 0.450 136 H N 0.311 119.403 119.070 0.036 0.000 2.553 136 H HA 0.274 4.830 4.556 0.001 0.000 0.269 136 H C 1.696 177.059 175.328 0.059 0.000 1.011 136 H CA 0.512 56.596 56.048 0.060 0.000 1.150 136 H CB -0.811 29.001 29.762 0.083 0.000 1.339 136 H HN 0.331 nan 8.280 nan 0.000 0.604 137 G N -0.155 108.731 108.800 0.143 0.000 3.088 137 G HA2 0.162 4.123 3.960 0.001 0.000 0.217 137 G HA3 0.162 4.123 3.960 0.001 0.000 0.217 137 G C 0.572 175.515 174.900 0.071 0.000 1.159 137 G CA -0.232 44.946 45.100 0.131 0.000 0.760 137 G HN 0.468 nan 8.290 nan 0.000 0.550 138 M N 0.518 120.146 119.600 0.047 0.000 3.017 138 M HA 0.209 4.689 4.480 0.001 0.000 0.423 138 M C -2.030 174.262 176.300 -0.013 0.000 1.395 138 M CA -0.902 54.392 55.300 -0.010 0.000 0.816 138 M CB 2.076 34.655 32.600 -0.035 0.000 1.440 138 M HN -0.096 nan 8.290 nan 0.000 0.506 139 P HA -0.012 nan 4.420 nan 0.000 0.224 139 P C 1.510 178.758 177.300 -0.087 0.000 1.159 139 P CA 0.562 63.663 63.100 0.001 0.000 0.824 139 P CB 0.544 32.302 31.700 0.097 0.000 0.833 140 L N 0.961 122.020 121.223 -0.273 0.000 2.017 140 L HA -0.064 4.277 4.340 0.001 0.000 0.208 140 L C 2.555 179.499 176.870 0.124 0.000 1.073 140 L CA 2.017 56.684 54.840 -0.287 0.000 0.745 140 L CB -1.732 39.916 42.059 -0.686 0.000 0.894 140 L HN -0.093 nan 8.230 nan 0.000 0.432 141 A N -0.883 121.896 122.820 -0.068 0.000 1.869 141 A HA -0.255 4.066 4.320 0.001 0.000 0.218 141 A C 2.310 179.744 177.584 -0.250 0.000 1.203 141 A CA 2.689 54.308 52.037 -0.697 0.000 0.638 141 A CB -1.397 17.171 19.000 -0.719 0.000 0.831 141 A HN 0.311 nan 8.150 nan 0.000 0.450 142 V N 0.054 119.896 119.914 -0.120 0.000 2.220 142 V HA -0.360 3.761 4.120 0.001 0.000 0.250 142 V C 2.621 178.729 176.094 0.023 0.000 1.056 142 V CA 2.451 64.742 62.300 -0.015 0.000 1.016 142 V CB -0.901 30.958 31.823 0.061 0.000 0.639 142 V HN 0.614 nan 8.190 nan 0.000 0.446 143 L N -0.167 121.082 121.223 0.043 0.000 2.081 143 L HA -0.189 4.151 4.340 0.001 0.000 0.212 143 L C 2.075 178.978 176.870 0.055 0.000 1.080 143 L CA 1.713 56.590 54.840 0.062 0.000 0.754 143 L CB -0.542 41.543 42.059 0.044 0.000 0.893 143 L HN 0.237 nan 8.230 nan 0.000 0.433 144 S N -0.348 115.395 115.700 0.072 0.000 2.743 144 S HA 0.222 4.692 4.470 0.001 0.000 0.230 144 S C 1.404 176.022 174.600 0.029 0.000 0.950 144 S CA 0.584 58.839 58.200 0.091 0.000 0.976 144 S CB -0.041 63.309 63.200 0.251 0.000 0.779 144 S HN 0.667 nan 8.310 nan 0.000 0.487 145 G N 0.805 109.608 108.800 0.005 0.000 2.184 145 G HA2 -0.261 3.700 3.960 0.001 0.000 0.264 145 G HA3 -0.261 3.700 3.960 0.001 0.000 0.264 145 G C -0.077 174.791 174.900 -0.053 0.000 0.975 145 G CA 0.216 45.306 45.100 -0.017 0.000 0.642 145 G HN 0.470 nan 8.290 nan 0.000 0.536 146 L N 0.272 121.434 121.223 -0.102 0.000 2.322 146 L HA 0.794 5.134 4.340 0.001 0.000 0.279 146 L C 0.945 177.730 176.870 -0.141 0.000 1.036 146 L CA 0.564 55.316 54.840 -0.147 0.000 0.807 146 L CB 1.765 43.679 42.059 -0.242 0.000 1.226 146 L HN 1.203 nan 8.230 nan 0.000 0.433 147 G N 0.403 109.142 108.800 -0.101 0.000 2.384 147 G HA2 -0.108 3.852 3.960 0.001 0.000 0.668 147 G HA3 -0.108 3.852 3.960 0.001 0.000 0.668 147 G C -0.993 173.906 174.900 -0.001 0.000 1.280 147 G CA -0.906 44.162 45.100 -0.054 0.000 0.992 147 G HN 0.922 nan 8.290 nan 0.000 0.512 148 H N 1.640 120.685 119.070 -0.042 0.000 3.167 148 H HA 0.253 4.809 4.556 0.001 0.000 0.306 148 H C -0.838 174.478 175.328 -0.019 0.000 0.965 148 H CA 0.720 56.752 56.048 -0.026 0.000 1.408 148 H CB 0.817 30.571 29.762 -0.014 0.000 1.406 148 H HN 0.196 nan 8.280 nan 0.000 0.576 149 P HA -0.270 nan 4.420 nan 0.000 0.217 149 P C 1.402 178.618 177.300 -0.139 0.000 1.162 149 P CA 1.477 64.408 63.100 -0.281 0.000 0.901 149 P CB 0.217 31.712 31.700 -0.343 0.000 0.793 150 R N -0.964 119.486 120.500 -0.083 0.000 2.316 150 R HA -0.076 4.265 4.340 0.001 0.000 0.232 150 R C 2.027 178.377 176.300 0.084 0.000 1.137 150 R CA 0.990 57.147 56.100 0.095 0.000 1.012 150 R CB -0.976 29.492 30.300 0.280 0.000 0.859 150 R HN 0.353 nan 8.270 nan 0.000 0.474 151 L N -1.130 120.182 121.223 0.148 0.000 2.356 151 L HA -0.019 4.321 4.340 0.001 0.000 0.193 151 L C 2.410 179.313 176.870 0.056 0.000 1.087 151 L CA 1.110 56.053 54.840 0.172 0.000 0.817 151 L CB -0.885 41.346 42.059 0.286 0.000 1.035 151 L HN 0.129 nan 8.230 nan 0.000 0.482 152 T N -1.280 113.304 114.554 0.049 0.000 2.822 152 T HA -0.246 4.104 4.350 0.001 0.000 0.270 152 T C 1.479 176.148 174.700 -0.052 0.000 1.064 152 T CA 1.621 63.727 62.100 0.009 0.000 1.131 152 T CB -0.584 68.275 68.868 -0.015 0.000 0.858 152 T HN 0.566 nan 8.240 nan 0.000 0.483 153 E N 1.718 121.865 120.200 -0.088 0.000 2.268 153 E HA -0.052 4.299 4.350 0.001 0.000 0.195 153 E C 1.828 178.322 176.600 -0.178 0.000 0.995 153 E CA 1.302 57.634 56.400 -0.114 0.000 0.836 153 E CB -0.364 29.271 29.700 -0.108 0.000 0.763 153 E HN 0.648 nan 8.360 nan 0.000 0.491 154 V N -4.039 115.685 119.914 -0.316 0.000 3.382 154 V HA 0.325 4.446 4.120 0.001 0.000 0.296 154 V C 0.577 176.283 176.094 -0.645 0.000 1.529 154 V CA -0.468 61.515 62.300 -0.528 0.000 1.048 154 V CB -0.347 31.022 31.823 -0.757 0.000 0.878 154 V HN 0.123 nan 8.190 nan 0.000 0.442 155 F N 0.917 120.875 119.950 0.013 0.000 2.831 155 F HA 0.472 5.000 4.527 0.001 0.000 0.334 155 F C 1.170 176.973 175.800 0.006 0.000 1.071 155 F CA -1.183 56.825 58.000 0.014 0.000 1.172 155 F CB 0.152 39.167 39.000 0.025 0.000 1.054 155 F HN 0.070 nan 8.300 nan 0.000 0.572 156 R N 2.120 122.691 120.500 0.118 0.000 2.585 156 R HA 0.418 4.759 4.340 0.001 0.000 0.275 156 R C -0.190 176.146 176.300 0.061 0.000 1.018 156 R CA 0.971 57.114 56.100 0.072 0.000 1.072 156 R CB 0.373 30.688 30.300 0.025 0.000 0.953 156 R HN 0.140 nan 8.270 nan 0.000 0.419 157 A N 3.857 126.709 122.820 0.053 0.000 3.189 157 A HA 0.363 4.684 4.320 0.001 0.000 0.213 157 A C -1.155 176.446 177.584 0.029 0.000 1.205 157 A CA -0.144 51.916 52.037 0.039 0.000 1.238 157 A CB 0.203 19.231 19.000 0.047 0.000 1.268 157 A HN 0.658 nan 8.150 nan 0.000 0.785 158 V N -0.523 119.409 119.914 0.030 0.000 3.155 158 V HA 0.337 4.457 4.120 0.001 0.000 0.272 158 V C -2.063 174.052 176.094 0.034 0.000 1.639 158 V CA -0.613 61.705 62.300 0.030 0.000 1.006 158 V CB 1.939 33.781 31.823 0.032 0.000 1.244 158 V HN 0.444 nan 8.190 nan 0.000 0.458 159 D N 5.187 125.607 120.400 0.033 0.000 2.347 159 D HA 0.390 5.030 4.640 0.001 0.000 0.235 159 D C -1.899 174.426 176.300 0.041 0.000 1.149 159 D CA -1.555 52.465 54.000 0.033 0.000 0.850 159 D CB 2.293 43.108 40.800 0.024 0.000 1.061 159 D HN 0.327 nan 8.370 nan 0.000 0.487 160 P HA -0.168 nan 4.420 nan 0.000 0.224 160 P C 0.713 178.037 177.300 0.040 0.000 1.138 160 P CA 1.210 64.343 63.100 0.054 0.000 0.780 160 P CB 0.338 32.093 31.700 0.091 0.000 0.755 161 K N -1.039 119.391 120.400 0.050 0.000 2.202 161 K HA 0.013 4.334 4.320 0.001 0.000 0.201 161 K C 0.276 176.942 176.600 0.111 0.000 1.051 161 K CA 0.656 56.987 56.287 0.073 0.000 0.977 161 K CB 0.030 32.547 32.500 0.027 0.000 0.792 161 K HN 0.222 nan 8.250 nan 0.000 0.469 162 D N 2.058 122.500 120.400 0.070 0.000 2.845 162 D HA 0.106 4.746 4.640 0.001 0.000 0.235 162 D C -0.604 175.755 176.300 0.099 0.000 1.158 162 D CA 0.093 54.145 54.000 0.087 0.000 0.990 162 D CB 0.481 41.313 40.800 0.053 0.000 1.094 162 D HN -0.213 nan 8.370 nan 0.000 0.486 163 V N 0.340 120.322 119.914 0.112 0.000 2.789 163 V HA 0.213 4.334 4.120 0.001 0.000 0.300 163 V C -0.647 175.452 176.094 0.010 0.000 1.184 163 V CA -0.864 61.468 62.300 0.052 0.000 0.930 163 V CB 2.729 34.528 31.823 -0.040 0.000 1.041 163 V HN 0.066 nan 8.190 nan 0.000 0.430 164 V N 5.754 125.694 119.914 0.044 0.000 2.483 164 V HA 0.529 4.650 4.120 0.001 0.000 0.297 164 V C -0.364 175.784 176.094 0.090 0.000 1.027 164 V CA -0.553 61.757 62.300 0.016 0.000 0.855 164 V CB 1.937 33.810 31.823 0.082 0.000 0.995 164 V HN 0.665 nan 8.190 nan 0.000 0.424 165 L N 5.152 126.395 121.223 0.033 0.000 2.312 165 L HA 0.720 5.061 4.340 0.001 0.000 0.281 165 L C -0.710 176.257 176.870 0.162 0.000 1.070 165 L CA -0.543 54.366 54.840 0.115 0.000 0.805 165 L CB 1.753 43.811 42.059 -0.002 0.000 1.174 165 L HN 0.435 nan 8.230 nan 0.000 0.434 166 V N 1.289 121.315 119.914 0.187 0.000 2.686 166 V HA 0.721 4.841 4.120 0.001 0.000 0.306 166 V C 0.563 176.723 176.094 0.110 0.000 1.065 166 V CA 0.117 62.515 62.300 0.163 0.000 0.894 166 V CB 1.241 33.134 31.823 0.116 0.000 1.004 166 V HN 1.002 nan 8.190 nan 0.000 0.424 167 G N 3.045 111.900 108.800 0.090 0.000 2.308 167 G HA2 -0.217 3.744 3.960 0.001 0.000 0.221 167 G HA3 -0.217 3.744 3.960 0.001 0.000 0.221 167 G C 0.289 175.214 174.900 0.041 0.000 1.032 167 G CA -0.135 44.994 45.100 0.049 0.000 0.623 167 G HN 1.119 nan 8.290 nan 0.000 0.506 168 V N 2.319 122.271 119.914 0.062 0.000 2.963 168 V HA 0.079 4.200 4.120 0.001 0.000 0.282 168 V C 1.602 177.701 176.094 0.009 0.000 1.426 168 V CA 2.439 64.761 62.300 0.037 0.000 1.447 168 V CB 0.395 32.250 31.823 0.053 0.000 0.849 168 V HN 1.018 nan 8.190 nan 0.000 0.500 169 R N 1.704 122.181 120.500 -0.038 0.000 2.504 169 R HA 0.351 4.692 4.340 0.001 0.000 0.341 169 R C 0.132 176.415 176.300 -0.028 0.000 0.905 169 R CA 0.138 56.223 56.100 -0.025 0.000 1.133 169 R CB 0.624 30.907 30.300 -0.029 0.000 1.704 169 R HN 0.523 nan 8.270 nan 0.000 0.503 170 S N 1.155 116.829 115.700 -0.044 0.000 2.677 170 S HA 0.637 5.107 4.470 0.001 0.000 0.283 170 S C -1.367 173.295 174.600 0.104 0.000 1.159 170 S CA -0.586 57.632 58.200 0.031 0.000 1.001 170 S CB 1.028 64.256 63.200 0.048 0.000 1.032 170 S HN 0.265 nan 8.310 nan 0.000 0.487 171 L N 3.497 124.776 121.223 0.094 0.000 2.422 171 L HA 0.596 4.936 4.340 0.001 0.000 0.264 171 L C -0.732 176.188 176.870 0.083 0.000 0.984 171 L CA -0.966 53.931 54.840 0.096 0.000 0.819 171 L CB 2.127 44.224 42.059 0.063 0.000 1.330 171 L HN 0.536 nan 8.230 nan 0.000 0.410 172 D N 2.435 122.885 120.400 0.084 0.000 2.264 172 D HA 0.181 4.822 4.640 0.001 0.000 0.249 172 D C -1.735 174.593 176.300 0.046 0.000 1.070 172 D CA -1.290 52.747 54.000 0.061 0.000 0.912 172 D CB 1.953 42.786 40.800 0.056 0.000 1.193 172 D HN 0.213 nan 8.370 nan 0.000 0.427 173 P HA -0.184 nan 4.420 nan 0.000 0.216 173 P C 1.460 178.774 177.300 0.023 0.000 1.154 173 P CA 1.439 64.554 63.100 0.024 0.000 0.865 173 P CB 0.199 31.910 31.700 0.018 0.000 0.789 174 G N -0.307 108.505 108.800 0.020 0.000 2.459 174 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 174 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 174 G C 1.462 176.377 174.900 0.025 0.000 1.183 174 G CA 0.877 45.985 45.100 0.013 0.000 0.776 174 G HN 0.273 nan 8.290 nan 0.000 0.552 175 E N 0.550 120.777 120.200 0.044 0.000 2.048 175 E HA -0.197 4.154 4.350 0.001 0.000 0.202 175 E C 2.565 179.219 176.600 0.091 0.000 1.021 175 E CA 1.407 57.860 56.400 0.089 0.000 0.825 175 E CB -0.119 29.650 29.700 0.115 0.000 0.756 175 E HN 0.383 nan 8.360 nan 0.000 0.454 176 K N 0.507 120.942 120.400 0.058 0.000 2.030 176 K HA -0.281 4.039 4.320 0.001 0.000 0.222 176 K C 2.240 178.862 176.600 0.037 0.000 1.056 176 K CA 1.594 57.904 56.287 0.037 0.000 0.957 176 K CB -0.467 32.046 32.500 0.021 0.000 0.727 176 K HN 0.093 nan 8.250 nan 0.000 0.452 177 R N 0.751 121.269 120.500 0.029 0.000 2.148 177 R HA -0.166 4.175 4.340 0.001 0.000 0.230 177 R C 2.591 178.915 176.300 0.040 0.000 1.120 177 R CA 1.966 58.079 56.100 0.023 0.000 0.902 177 R CB -0.881 29.426 30.300 0.012 0.000 0.839 177 R HN 0.156 nan 8.270 nan 0.000 0.431 178 L N 0.773 122.019 121.223 0.039 0.000 2.151 178 L HA -0.313 4.028 4.340 0.001 0.000 0.219 178 L C 2.462 179.431 176.870 0.164 0.000 1.083 178 L CA 1.487 56.354 54.840 0.044 0.000 0.782 178 L CB -0.533 41.513 42.059 -0.022 0.000 0.891 178 L HN 0.264 nan 8.230 nan 0.000 0.439 179 L N -1.064 120.293 121.223 0.223 0.000 2.007 179 L HA -0.172 4.168 4.340 0.001 0.000 0.205 179 L C 2.597 179.522 176.870 0.092 0.000 1.073 179 L CA 1.357 56.335 54.840 0.230 0.000 0.744 179 L CB -0.479 41.621 42.059 0.068 0.000 0.898 179 L HN 0.057 nan 8.230 nan 0.000 0.435 180 K N -0.180 120.246 120.400 0.043 0.000 2.089 180 K HA -0.248 4.072 4.320 0.001 0.000 0.210 180 K C 1.976 178.592 176.600 0.025 0.000 1.048 180 K CA 1.722 58.018 56.287 0.015 0.000 0.926 180 K CB -0.116 32.386 32.500 0.004 0.000 0.714 180 K HN 0.350 nan 8.250 nan 0.000 0.448 181 E N 0.045 120.267 120.200 0.038 0.000 2.000 181 E HA -0.185 4.165 4.350 0.001 0.000 0.199 181 E C 1.508 178.132 176.600 0.040 0.000 1.011 181 E CA 1.220 57.638 56.400 0.030 0.000 0.836 181 E CB -0.178 29.535 29.700 0.022 0.000 0.778 181 E HN 0.302 nan 8.360 nan 0.000 0.462 182 A N 0.819 123.681 122.820 0.070 0.000 2.176 182 A HA 0.161 4.481 4.320 0.001 0.000 0.214 182 A C 1.269 178.892 177.584 0.065 0.000 1.327 182 A CA 0.733 52.818 52.037 0.079 0.000 1.015 182 A CB -1.216 17.864 19.000 0.134 0.000 0.818 182 A HN 0.419 nan 8.150 nan 0.000 0.500 183 G N -0.541 108.282 108.800 0.039 0.000 2.441 183 G HA2 -0.191 3.769 3.960 0.001 0.000 0.298 183 G HA3 -0.191 3.769 3.960 0.001 0.000 0.298 183 G C 0.241 175.139 174.900 -0.004 0.000 0.949 183 G CA 0.513 45.622 45.100 0.016 0.000 1.072 183 G HN 0.648 nan 8.290 nan 0.000 0.512 184 V N 0.034 119.921 119.914 -0.046 0.000 2.686 184 V HA 0.378 4.498 4.120 0.001 0.000 0.295 184 V C 1.096 177.091 176.094 -0.165 0.000 1.055 184 V CA -0.502 61.720 62.300 -0.130 0.000 1.050 184 V CB 1.415 33.053 31.823 -0.308 0.000 0.984 184 V HN 0.630 nan 8.190 nan 0.000 0.482 185 R N 3.784 124.159 120.500 -0.208 0.000 2.340 185 R HA 0.539 4.880 4.340 0.001 0.000 0.300 185 R C -1.258 174.823 176.300 -0.365 0.000 1.069 185 R CA 0.021 55.905 56.100 -0.360 0.000 0.984 185 R CB 0.899 30.818 30.300 -0.634 0.000 1.003 185 R HN 0.433 nan 8.270 nan 0.000 0.459 186 V N 6.082 125.730 119.914 -0.444 0.000 2.686 186 V HA 0.326 4.446 4.120 0.001 0.000 0.306 186 V C -1.390 174.449 176.094 -0.426 0.000 1.065 186 V CA -0.610 61.491 62.300 -0.332 0.000 0.894 186 V CB 1.855 33.560 31.823 -0.196 0.000 1.004 186 V HN 0.703 nan 8.190 nan 0.000 0.424 187 Y N 2.856 123.136 120.300 -0.034 0.000 2.836 187 Y HA 0.347 4.897 4.550 0.001 0.000 0.359 187 Y C 1.239 177.145 175.900 0.011 0.000 1.060 187 Y CA -0.777 57.317 58.100 -0.010 0.000 1.161 187 Y CB 1.089 39.540 38.460 -0.014 0.000 1.225 187 Y HN 0.755 nan 8.280 nan 0.000 0.621 188 T N -1.836 112.796 114.554 0.129 0.000 2.855 188 T HA -0.029 4.322 4.350 0.001 0.000 0.314 188 T C 1.616 176.391 174.700 0.126 0.000 1.077 188 T CA -0.662 61.501 62.100 0.106 0.000 1.095 188 T CB 0.705 69.622 68.868 0.082 0.000 0.987 188 T HN 0.402 nan 8.240 nan 0.000 0.546 189 M N 0.739 120.391 119.600 0.087 0.000 2.419 189 M HA -0.158 4.323 4.480 0.001 0.000 0.260 189 M C 1.998 178.337 176.300 0.066 0.000 1.073 189 M CA 1.523 56.860 55.300 0.061 0.000 1.056 189 M CB -1.804 30.818 32.600 0.037 0.000 1.394 189 M HN 0.858 nan 8.290 nan 0.000 0.444 190 H N 0.289 119.379 119.070 0.033 0.000 2.333 190 H HA -0.099 4.457 4.556 0.001 0.000 0.302 190 H C 1.551 176.906 175.328 0.044 0.000 1.075 190 H CA 1.780 57.847 56.048 0.031 0.000 1.348 190 H CB 0.289 30.067 29.762 0.026 0.000 1.393 190 H HN 0.283 nan 8.280 nan 0.000 0.509 191 E N 0.208 120.535 120.200 0.213 0.000 2.051 191 E HA -0.106 4.244 4.350 0.001 0.000 0.192 191 E C 2.615 179.253 176.600 0.064 0.000 0.991 191 E CA 1.171 57.686 56.400 0.192 0.000 0.799 191 E CB -0.269 29.633 29.700 0.337 0.000 0.748 191 E HN 0.189 nan 8.360 nan 0.000 0.449 192 V N 1.772 121.714 119.914 0.046 0.000 2.219 192 V HA -0.315 3.806 4.120 0.001 0.000 0.248 192 V C 1.656 177.722 176.094 -0.046 0.000 1.053 192 V CA 2.257 64.549 62.300 -0.013 0.000 1.009 192 V CB -0.580 31.240 31.823 -0.004 0.000 0.636 192 V HN 0.291 nan 8.190 nan 0.000 0.445 193 D N -0.953 119.405 120.400 -0.070 0.000 2.228 193 D HA -0.168 4.473 4.640 0.001 0.000 0.203 193 D C 2.281 178.508 176.300 -0.121 0.000 0.988 193 D CA 1.151 55.089 54.000 -0.103 0.000 0.864 193 D CB -0.141 40.572 40.800 -0.146 0.000 0.928 193 D HN 0.376 nan 8.370 nan 0.000 0.469 194 R N 0.001 120.420 120.500 -0.135 0.000 2.048 194 R HA 0.098 4.439 4.340 0.001 0.000 0.224 194 R C 2.428 178.706 176.300 -0.037 0.000 1.163 194 R CA 0.352 56.394 56.100 -0.096 0.000 0.956 194 R CB -0.167 30.092 30.300 -0.067 0.000 0.849 194 R HN 0.138 nan 8.270 nan 0.000 0.435 195 L N -0.066 121.146 121.223 -0.018 0.000 2.418 195 L HA 0.199 4.539 4.340 0.001 0.000 0.218 195 L C 0.698 177.545 176.870 -0.039 0.000 1.125 195 L CA 0.378 55.207 54.840 -0.019 0.000 0.835 195 L CB -0.178 41.871 42.059 -0.017 0.000 0.953 195 L HN 0.443 nan 8.230 nan 0.000 0.454 196 G N -0.268 108.503 108.800 -0.048 0.000 3.153 196 G HA2 -0.177 3.783 3.960 0.001 0.000 0.686 196 G HA3 -0.177 3.783 3.960 0.001 0.000 0.686 196 G C 0.372 175.230 174.900 -0.069 0.000 0.995 196 G CA -0.351 44.720 45.100 -0.049 0.000 0.783 196 G HN -0.141 nan 8.290 nan 0.000 0.551 197 V N 2.302 122.175 119.914 -0.069 0.000 2.363 197 V HA -0.279 3.841 4.120 0.001 0.000 0.254 197 V C 3.413 179.453 176.094 -0.089 0.000 1.074 197 V CA 3.428 65.676 62.300 -0.086 0.000 1.069 197 V CB -1.418 30.367 31.823 -0.064 0.000 0.659 197 V HN 1.912 nan 8.190 nan 0.000 0.455 198 A N -0.236 122.545 122.820 -0.064 0.000 1.892 198 A HA -0.288 4.033 4.320 0.001 0.000 0.218 198 A C 2.450 179.995 177.584 -0.065 0.000 1.188 198 A CA 2.337 54.342 52.037 -0.053 0.000 0.631 198 A CB -0.526 18.454 19.000 -0.035 0.000 0.822 198 A HN 0.526 nan 8.150 nan 0.000 0.447 199 R N -0.903 119.552 120.500 -0.075 0.000 2.075 199 R HA 0.081 4.422 4.340 0.001 0.000 0.226 199 R C 2.089 178.300 176.300 -0.148 0.000 1.114 199 R CA 1.160 57.212 56.100 -0.079 0.000 0.972 199 R CB -0.393 29.874 30.300 -0.056 0.000 0.869 199 R HN 0.605 nan 8.270 nan 0.000 0.437 200 I N 0.757 121.183 120.570 -0.240 0.000 2.151 200 I HA -0.333 3.837 4.170 0.001 0.000 0.243 200 I C 2.609 178.517 176.117 -0.349 0.000 1.080 200 I CA 1.492 62.495 61.300 -0.494 0.000 1.339 200 I CB -0.539 37.126 38.000 -0.558 0.000 1.039 200 I HN 0.202 nan 8.210 nan 0.000 0.409 201 A N 0.505 123.209 122.820 -0.194 0.000 1.883 201 A HA -0.226 4.094 4.320 0.001 0.000 0.217 201 A C 2.271 179.818 177.584 -0.062 0.000 1.186 201 A CA 1.718 53.692 52.037 -0.104 0.000 0.624 201 A CB -0.521 18.438 19.000 -0.068 0.000 0.822 201 A HN 0.397 nan 8.150 nan 0.000 0.444 202 E N 0.081 120.247 120.200 -0.056 0.000 2.012 202 E HA -0.220 4.130 4.350 0.001 0.000 0.197 202 E C 1.912 178.517 176.600 0.008 0.000 1.007 202 E CA 1.550 57.940 56.400 -0.017 0.000 0.816 202 E CB -0.655 29.036 29.700 -0.016 0.000 0.762 202 E HN 0.767 nan 8.360 nan 0.000 0.451 203 E N 0.650 120.848 120.200 -0.004 0.000 2.187 203 E HA -0.182 4.168 4.350 0.001 0.000 0.199 203 E C 2.249 178.930 176.600 0.136 0.000 1.004 203 E CA 1.212 57.655 56.400 0.071 0.000 0.813 203 E CB -0.193 29.557 29.700 0.084 0.000 0.736 203 E HN 0.050 nan 8.360 nan 0.000 0.468 204 V N 1.504 121.462 119.914 0.073 0.000 2.261 204 V HA -0.281 3.840 4.120 0.001 0.000 0.246 204 V C 2.357 178.539 176.094 0.147 0.000 1.047 204 V CA 1.723 64.100 62.300 0.128 0.000 1.015 204 V CB -0.532 31.327 31.823 0.061 0.000 0.642 204 V HN 0.224 nan 8.190 nan 0.000 0.446 205 L N -0.394 120.884 121.223 0.092 0.000 1.970 205 L HA -0.223 4.118 4.340 0.001 0.000 0.212 205 L C 2.578 179.502 176.870 0.091 0.000 1.071 205 L CA 1.961 56.850 54.840 0.082 0.000 0.751 205 L CB -0.779 41.310 42.059 0.051 0.000 0.889 205 L HN 0.245 nan 8.230 nan 0.000 0.432 206 K N 0.030 120.484 120.400 0.089 0.000 2.015 206 K HA -0.305 4.015 4.320 0.001 0.000 0.216 206 K C 2.196 178.855 176.600 0.098 0.000 1.052 206 K CA 2.009 58.344 56.287 0.081 0.000 0.937 206 K CB -0.513 32.038 32.500 0.084 0.000 0.719 206 K HN 0.337 nan 8.250 nan 0.000 0.446 207 H N -1.363 117.744 119.070 0.061 0.000 2.489 207 H HA 0.002 4.558 4.556 0.001 0.000 0.295 207 H C 0.486 175.844 175.328 0.051 0.000 1.082 207 H CA 1.708 57.793 56.048 0.061 0.000 1.295 207 H CB 0.209 30.026 29.762 0.090 0.000 1.380 207 H HN 0.157 nan 8.280 nan 0.000 0.548 208 L N 1.346 122.660 121.223 0.151 0.000 3.267 208 L HA 0.129 4.469 4.340 0.001 0.000 0.289 208 L C 0.140 177.046 176.870 0.059 0.000 1.260 208 L CA -0.333 54.568 54.840 0.102 0.000 1.034 208 L CB 0.433 42.582 42.059 0.150 0.000 1.413 208 L HN 0.287 nan 8.230 nan 0.000 0.594 209 Q N 0.407 120.232 119.800 0.042 0.000 2.414 209 Q HA 0.193 4.534 4.340 0.001 0.000 0.288 209 Q C 1.092 177.105 176.000 0.021 0.000 1.086 209 Q CA 0.725 56.547 55.803 0.032 0.000 0.943 209 Q CB 0.318 29.070 28.738 0.023 0.000 1.282 209 Q HN 0.275 nan 8.270 nan 0.000 0.438 210 G N 1.512 110.326 108.800 0.023 0.000 2.166 210 G HA2 -0.267 3.693 3.960 0.001 0.000 0.260 210 G HA3 -0.267 3.693 3.960 0.001 0.000 0.260 210 G C -0.319 174.594 174.900 0.022 0.000 0.986 210 G CA 0.580 45.691 45.100 0.019 0.000 0.683 210 G HN 0.489 nan 8.290 nan 0.000 0.527 211 L N 0.995 122.236 121.223 0.030 0.000 2.319 211 L HA 0.685 5.025 4.340 0.001 0.000 0.267 211 L C -1.875 175.018 176.870 0.040 0.000 1.011 211 L CA -2.522 52.338 54.840 0.034 0.000 0.818 211 L CB 2.288 44.372 42.059 0.041 0.000 1.316 211 L HN -0.093 nan 8.230 nan 0.000 0.432 212 P HA 0.351 nan 4.420 nan 0.000 0.288 212 P C -1.488 175.842 177.300 0.049 0.000 1.267 212 P CA -0.366 62.755 63.100 0.036 0.000 0.815 212 P CB 1.249 32.963 31.700 0.024 0.000 0.989 213 L N 2.560 123.813 121.223 0.050 0.000 2.346 213 L HA 0.476 4.817 4.340 0.001 0.000 0.274 213 L C 0.475 177.388 176.870 0.072 0.000 1.007 213 L CA -0.841 54.045 54.840 0.075 0.000 0.818 213 L CB 1.707 43.813 42.059 0.078 0.000 1.284 213 L HN 0.515 nan 8.230 nan 0.000 0.424 214 H N 2.798 121.874 119.070 0.010 0.000 2.587 214 H HA 0.498 5.054 4.556 0.001 0.000 0.325 214 H C -1.655 173.694 175.328 0.035 0.000 1.012 214 H CA -0.487 55.556 56.048 -0.008 0.000 1.213 214 H CB 1.774 31.538 29.762 0.003 0.000 1.431 214 H HN 0.296 nan 8.280 nan 0.000 0.492 215 V N 4.318 124.094 119.914 -0.230 0.000 2.427 215 V HA 0.276 4.396 4.120 0.001 0.000 0.286 215 V C 0.474 176.461 176.094 -0.179 0.000 1.034 215 V CA -0.610 61.638 62.300 -0.088 0.000 0.893 215 V CB 1.399 33.191 31.823 -0.052 0.000 0.982 215 V HN 0.755 nan 8.190 nan 0.000 0.452 216 S N 3.867 119.525 115.700 -0.070 0.000 2.473 216 S HA 0.752 5.222 4.470 0.001 0.000 0.307 216 S C -1.042 173.378 174.600 -0.300 0.000 1.094 216 S CA -0.455 57.631 58.200 -0.191 0.000 1.070 216 S CB 1.197 64.211 63.200 -0.311 0.000 1.019 216 S HN 0.570 nan 8.310 nan 0.000 0.480 217 L N 4.863 125.905 121.223 -0.302 0.000 2.388 217 L HA 0.510 4.851 4.340 0.001 0.000 0.267 217 L C -0.866 175.782 176.870 -0.369 0.000 0.995 217 L CA -0.348 54.318 54.840 -0.289 0.000 0.864 217 L CB 1.357 43.303 42.059 -0.189 0.000 1.216 217 L HN 0.557 nan 8.230 nan 0.000 0.430 218 D N 3.166 123.308 120.400 -0.431 0.000 2.312 218 D HA 0.287 4.927 4.640 0.001 0.000 0.252 218 D C 0.899 177.076 176.300 -0.205 0.000 1.150 218 D CA 0.400 54.144 54.000 -0.428 0.000 0.870 218 D CB 2.259 42.860 40.800 -0.332 0.000 1.153 218 D HN 0.687 nan 8.370 nan 0.000 0.457 219 A N 3.815 126.536 122.820 -0.166 0.000 2.067 219 A HA -0.201 4.120 4.320 0.001 0.000 0.219 219 A C 1.456 179.006 177.584 -0.057 0.000 1.158 219 A CA 1.396 53.374 52.037 -0.099 0.000 0.661 219 A CB -0.317 18.633 19.000 -0.082 0.000 0.801 219 A HN 0.695 nan 8.150 nan 0.000 0.452 220 D N -0.392 119.988 120.400 -0.033 0.000 2.411 220 D HA -0.101 4.540 4.640 0.001 0.000 0.226 220 D C 1.164 177.460 176.300 -0.008 0.000 0.988 220 D CA 0.997 55.009 54.000 0.019 0.000 0.938 220 D CB -0.610 40.267 40.800 0.128 0.000 0.883 220 D HN 0.214 nan 8.370 nan 0.000 0.525 221 V N -0.494 119.402 119.914 -0.030 0.000 3.235 221 V HA 0.147 4.268 4.120 0.001 0.000 0.259 221 V C 0.705 176.780 176.094 -0.031 0.000 1.133 221 V CA 0.151 62.430 62.300 -0.035 0.000 1.128 221 V CB -0.232 31.566 31.823 -0.041 0.000 0.757 221 V HN 0.150 nan 8.190 nan 0.000 0.469 222 L N 1.202 122.408 121.223 -0.029 0.000 2.350 222 L HA 0.361 4.702 4.340 0.001 0.000 0.275 222 L C 0.353 177.220 176.870 -0.006 0.000 1.099 222 L CA -0.332 54.498 54.840 -0.016 0.000 0.808 222 L CB 0.472 42.524 42.059 -0.011 0.000 1.149 222 L HN 0.102 nan 8.230 nan 0.000 0.442 223 D N 3.728 124.129 120.400 0.002 0.000 2.533 223 D HA -0.036 4.605 4.640 0.001 0.000 0.236 223 D C -1.816 174.486 176.300 0.004 0.000 1.137 223 D CA -0.940 53.063 54.000 0.004 0.000 0.867 223 D CB 1.481 42.286 40.800 0.008 0.000 1.170 223 D HN 0.253 nan 8.370 nan 0.000 0.474 224 P HA -0.037 nan 4.420 nan 0.000 0.236 224 P C 0.975 178.275 177.300 0.000 0.000 1.172 224 P CA 0.605 63.707 63.100 0.003 0.000 0.759 224 P CB 0.293 31.998 31.700 0.008 0.000 0.843 225 T N -1.267 113.287 114.554 0.000 0.000 2.978 225 T HA 0.003 4.353 4.350 0.001 0.000 0.262 225 T C 1.400 176.094 174.700 -0.009 0.000 1.063 225 T CA 0.603 62.700 62.100 -0.004 0.000 1.140 225 T CB -0.306 68.560 68.868 -0.002 0.000 0.886 225 T HN -0.079 nan 8.240 nan 0.000 0.470 226 L N 0.792 122.013 121.223 -0.003 0.000 2.102 226 L HA 0.511 4.851 4.340 0.001 0.000 0.202 226 L C 0.947 177.813 176.870 -0.007 0.000 1.076 226 L CA 0.874 55.711 54.840 -0.004 0.000 0.761 226 L CB -0.519 41.554 42.059 0.023 0.000 0.921 226 L HN 0.173 nan 8.230 nan 0.000 0.444 227 A N -0.096 122.721 122.820 -0.004 0.000 2.545 227 A HA 0.575 4.895 4.320 0.001 0.000 0.300 227 A C -2.033 175.547 177.584 -0.007 0.000 1.252 227 A CA -0.810 51.222 52.037 -0.007 0.000 0.753 227 A CB 0.503 19.498 19.000 -0.009 0.000 1.144 227 A HN 0.141 nan 8.150 nan 0.000 0.457 228 P HA 0.012 nan 4.420 nan 0.000 0.230 228 P C 1.056 178.352 177.300 -0.007 0.000 1.168 228 P CA 0.919 64.016 63.100 -0.006 0.000 0.793 228 P CB 0.263 31.959 31.700 -0.008 0.000 0.851 229 G N 1.385 110.178 108.800 -0.011 0.000 3.353 229 G HA2 0.336 4.296 3.960 0.001 0.000 0.247 229 G HA3 0.336 4.296 3.960 0.001 0.000 0.247 229 G C 0.222 175.111 174.900 -0.019 0.000 1.025 229 G CA -0.116 44.975 45.100 -0.015 0.000 1.863 229 G HN 0.218 nan 8.290 nan 0.000 0.635 230 V N -2.244 117.663 119.914 -0.013 0.000 2.604 230 V HA 0.775 4.895 4.120 0.001 0.000 0.305 230 V C 1.355 177.444 176.094 -0.008 0.000 1.043 230 V CA -0.285 62.006 62.300 -0.015 0.000 0.888 230 V CB 1.195 33.015 31.823 -0.004 0.000 0.995 230 V HN 0.213 nan 8.190 nan 0.000 0.429 231 G N 3.178 111.963 108.800 -0.024 0.000 2.553 231 G HA2 -0.115 3.845 3.960 0.001 0.000 0.218 231 G HA3 -0.115 3.845 3.960 0.001 0.000 0.218 231 G C 0.634 175.535 174.900 0.002 0.000 1.195 231 G CA 1.437 46.522 45.100 -0.025 0.000 0.779 231 G HN 0.830 nan 8.290 nan 0.000 0.577 232 T N 2.984 117.553 114.554 0.025 0.000 2.874 232 T HA 0.500 4.851 4.350 0.001 0.000 0.321 232 T C -2.721 172.061 174.700 0.137 0.000 1.075 232 T CA -0.985 61.163 62.100 0.080 0.000 0.966 232 T CB 2.418 71.320 68.868 0.056 0.000 1.001 232 T HN 0.110 nan 8.240 nan 0.000 0.476 233 P HA 0.443 nan 4.420 nan 0.000 0.293 233 P C -0.947 176.395 177.300 0.070 0.000 1.313 233 P CA -0.470 62.669 63.100 0.066 0.000 0.787 233 P CB 1.189 32.912 31.700 0.039 0.000 0.910 234 V N 6.283 126.226 119.914 0.048 0.000 2.540 234 V HA 0.347 4.467 4.120 0.001 0.000 0.302 234 V C -2.022 174.079 176.094 0.012 0.000 1.035 234 V CA -2.201 60.117 62.300 0.030 0.000 0.873 234 V CB 1.655 33.469 31.823 -0.014 0.000 0.992 234 V HN 0.456 nan 8.190 nan 0.000 0.428 235 P HA 0.154 nan 4.420 nan 0.000 0.272 235 P C 0.687 177.991 177.300 0.006 0.000 1.248 235 P CA 0.717 63.824 63.100 0.011 0.000 0.799 235 P CB 0.322 32.031 31.700 0.015 0.000 0.997 236 G N -0.026 108.778 108.800 0.006 0.000 2.306 236 G HA2 -0.044 3.916 3.960 0.001 0.000 0.274 236 G HA3 -0.044 3.916 3.960 0.001 0.000 0.274 236 G C 0.580 175.480 174.900 0.000 0.000 0.890 236 G CA 0.165 45.268 45.100 0.004 0.000 1.298 236 G HN 0.767 nan 8.290 nan 0.000 0.445 237 G N -0.665 108.134 108.800 -0.002 0.000 2.671 237 G HA2 0.706 4.667 3.960 0.001 0.000 0.275 237 G HA3 0.706 4.667 3.960 0.001 0.000 0.275 237 G C 0.521 175.419 174.900 -0.004 0.000 1.368 237 G CA -1.247 43.849 45.100 -0.007 0.000 1.044 237 G HN 0.650 nan 8.290 nan 0.000 0.543 238 L N 0.331 121.548 121.223 -0.009 0.000 2.482 238 L HA 0.258 4.598 4.340 0.001 0.000 0.273 238 L C 1.514 178.388 176.870 0.007 0.000 1.228 238 L CA -0.236 54.598 54.840 -0.010 0.000 0.827 238 L CB 0.546 42.589 42.059 -0.028 0.000 1.099 238 L HN 0.695 nan 8.230 nan 0.000 0.494 239 T N -2.109 112.454 114.554 0.014 0.000 2.902 239 T HA 0.118 4.468 4.350 0.001 0.000 0.280 239 T C 0.816 175.568 174.700 0.087 0.000 0.992 239 T CA -0.410 61.721 62.100 0.053 0.000 1.015 239 T CB 0.750 69.648 68.868 0.050 0.000 1.044 239 T HN 0.505 nan 8.240 nan 0.000 0.520 240 Y N 1.967 122.266 120.300 -0.000 0.000 2.053 240 Y HA -0.160 4.390 4.550 0.001 0.000 0.277 240 Y C 2.719 178.658 175.900 0.065 0.000 1.159 240 Y CA 1.745 59.857 58.100 0.020 0.000 1.125 240 Y CB -0.424 38.070 38.460 0.057 0.000 0.969 240 Y HN 0.701 nan 8.280 nan 0.000 0.492 241 R N 0.286 120.812 120.500 0.043 0.000 2.094 241 R HA -0.200 4.141 4.340 0.001 0.000 0.239 241 R C 2.288 178.551 176.300 -0.061 0.000 1.137 241 R CA 2.058 58.126 56.100 -0.054 0.000 0.943 241 R CB -0.397 29.919 30.300 0.027 0.000 0.850 241 R HN 0.533 nan 8.270 nan 0.000 0.433 242 E N 0.272 120.449 120.200 -0.038 0.000 2.035 242 E HA -0.283 4.067 4.350 0.001 0.000 0.204 242 E C 2.115 178.661 176.600 -0.090 0.000 1.025 242 E CA 1.392 57.762 56.400 -0.050 0.000 0.835 242 E CB -0.320 29.358 29.700 -0.037 0.000 0.764 242 E HN 0.401 nan 8.360 nan 0.000 0.457 243 A N 1.947 124.687 122.820 -0.134 0.000 1.929 243 A HA -0.299 4.021 4.320 0.001 0.000 0.221 243 A C 1.982 179.401 177.584 -0.275 0.000 1.211 243 A CA 2.133 54.041 52.037 -0.214 0.000 0.657 243 A CB -0.994 17.840 19.000 -0.277 0.000 0.827 243 A HN 0.335 nan 8.150 nan 0.000 0.462 244 H N -1.519 117.438 119.070 -0.188 0.000 2.307 244 H HA -0.075 4.481 4.556 0.001 0.000 0.303 244 H C 2.151 177.407 175.328 -0.120 0.000 1.073 244 H CA 1.650 57.588 56.048 -0.184 0.000 1.338 244 H CB -0.737 28.854 29.762 -0.285 0.000 1.389 244 H HN 0.424 nan 8.280 nan 0.000 0.503 245 L N 1.465 122.692 121.223 0.006 0.000 1.997 245 L HA -0.206 4.135 4.340 0.001 0.000 0.216 245 L C 2.485 179.343 176.870 -0.020 0.000 1.074 245 L CA 1.592 56.425 54.840 -0.011 0.000 0.763 245 L CB -1.101 40.944 42.059 -0.023 0.000 0.890 245 L HN 0.242 nan 8.230 nan 0.000 0.434 246 L N -1.312 119.888 121.223 -0.038 0.000 2.083 246 L HA -0.194 4.146 4.340 0.001 0.000 0.209 246 L C 2.247 179.101 176.870 -0.025 0.000 1.083 246 L CA 1.874 56.691 54.840 -0.039 0.000 0.752 246 L CB -0.651 41.377 42.059 -0.052 0.000 0.899 246 L HN 0.278 nan 8.230 nan 0.000 0.433 247 M N -0.230 119.353 119.600 -0.028 0.000 2.086 247 M HA -0.163 4.318 4.480 0.001 0.000 0.261 247 M C 2.202 178.505 176.300 0.005 0.000 1.067 247 M CA 1.694 56.985 55.300 -0.015 0.000 1.116 247 M CB -1.231 31.358 32.600 -0.019 0.000 1.348 247 M HN 0.427 nan 8.290 nan 0.000 0.407 248 E N 0.178 120.384 120.200 0.009 0.000 2.031 248 E HA -0.181 4.170 4.350 0.001 0.000 0.193 248 E C 2.046 178.651 176.600 0.009 0.000 0.994 248 E CA 1.064 57.471 56.400 0.011 0.000 0.800 248 E CB -0.162 29.544 29.700 0.009 0.000 0.752 248 E HN 0.319 nan 8.360 nan 0.000 0.447 249 I N 1.592 122.163 120.570 0.002 0.000 2.151 249 I HA -0.286 3.885 4.170 0.001 0.000 0.243 249 I C 2.475 178.599 176.117 0.011 0.000 1.080 249 I CA 1.439 62.740 61.300 0.002 0.000 1.339 249 I CB -1.285 36.709 38.000 -0.009 0.000 1.039 249 I HN 0.190 nan 8.210 nan 0.000 0.409 250 L N 0.395 121.626 121.223 0.014 0.000 2.131 250 L HA -0.191 4.150 4.340 0.001 0.000 0.210 250 L C 2.808 179.701 176.870 0.038 0.000 1.092 250 L CA 1.382 56.239 54.840 0.028 0.000 0.759 250 L CB -0.957 41.120 42.059 0.031 0.000 0.903 250 L HN 0.220 nan 8.230 nan 0.000 0.435 251 A N 0.535 123.375 122.820 0.034 0.000 1.858 251 A HA -0.219 4.101 4.320 0.001 0.000 0.216 251 A C 2.125 179.731 177.584 0.036 0.000 1.190 251 A CA 1.626 53.688 52.037 0.041 0.000 0.617 251 A CB -0.531 18.488 19.000 0.032 0.000 0.827 251 A HN 0.459 nan 8.150 nan 0.000 0.443 252 E N 0.411 120.625 120.200 0.024 0.000 2.108 252 E HA -0.296 4.055 4.350 0.001 0.000 0.203 252 E C 2.227 178.841 176.600 0.024 0.000 1.022 252 E CA 1.935 58.345 56.400 0.018 0.000 0.823 252 E CB -0.496 29.210 29.700 0.011 0.000 0.744 252 E HN 0.791 nan 8.360 nan 0.000 0.456 253 S N -0.062 115.656 115.700 0.029 0.000 2.423 253 S HA -0.199 4.271 4.470 0.001 0.000 0.238 253 S C 1.940 176.563 174.600 0.039 0.000 1.028 253 S CA 1.544 59.764 58.200 0.033 0.000 1.000 253 S CB -0.752 62.472 63.200 0.039 0.000 0.797 253 S HN 0.573 nan 8.310 nan 0.000 0.487 254 G N 1.615 110.442 108.800 0.046 0.000 2.270 254 G HA2 -0.396 3.565 3.960 0.001 0.000 0.268 254 G HA3 -0.396 3.565 3.960 0.001 0.000 0.268 254 G C 1.051 175.992 174.900 0.067 0.000 0.982 254 G CA 0.680 45.813 45.100 0.056 0.000 0.628 254 G HN 0.601 nan 8.290 nan 0.000 0.544 255 R N -0.044 120.492 120.500 0.060 0.000 2.236 255 R HA 0.191 4.531 4.340 0.001 0.000 0.208 255 R C 1.037 177.377 176.300 0.066 0.000 1.036 255 R CA 0.563 56.698 56.100 0.058 0.000 1.001 255 R CB 0.089 30.419 30.300 0.049 0.000 0.896 255 R HN 0.370 nan 8.270 nan 0.000 0.464 256 V N 3.052 123.019 119.914 0.088 0.000 2.475 256 V HA -0.129 3.991 4.120 0.001 0.000 0.292 256 V C 1.414 177.570 176.094 0.103 0.000 1.003 256 V CA 0.651 63.014 62.300 0.104 0.000 1.120 256 V CB 0.843 32.758 31.823 0.154 0.000 0.937 256 V HN 0.416 nan 8.190 nan 0.000 0.476 257 Q N 4.215 123.980 119.800 -0.057 0.000 2.423 257 Q HA 0.202 4.543 4.340 0.001 0.000 0.231 257 Q C 0.639 176.098 176.000 -0.902 0.000 0.894 257 Q CA 0.480 56.126 55.803 -0.262 0.000 0.938 257 Q CB 0.664 29.317 28.738 -0.142 0.000 1.079 257 Q HN 0.737 nan 8.270 nan 0.000 0.552 258 S N -0.275 114.991 115.700 -0.724 0.000 2.661 258 S HA 0.772 5.242 4.470 0.001 0.000 0.285 258 S C -1.298 172.961 174.600 -0.569 0.000 1.138 258 S CA -0.888 56.771 58.200 -0.901 0.000 0.855 258 S CB 2.161 65.131 63.200 -0.384 0.000 1.136 258 S HN 0.255 nan 8.310 nan 0.000 0.484 259 L N 0.873 121.883 121.223 -0.356 0.000 2.505 259 L HA 0.639 4.980 4.340 0.001 0.000 0.259 259 L C -2.208 174.567 176.870 -0.158 0.000 0.952 259 L CA -0.260 54.461 54.840 -0.198 0.000 0.840 259 L CB 2.169 44.308 42.059 0.134 0.000 1.358 259 L HN 0.876 nan 8.230 nan 0.000 0.409 260 D N 5.320 125.614 120.400 -0.176 0.000 2.375 260 D HA 0.484 5.125 4.640 0.001 0.000 0.247 260 D C -0.824 175.404 176.300 -0.121 0.000 1.061 260 D CA -0.058 53.888 54.000 -0.090 0.000 0.834 260 D CB 2.677 43.458 40.800 -0.032 0.000 1.247 260 D HN 0.429 nan 8.370 nan 0.000 0.489 261 L N 2.276 123.438 121.223 -0.103 0.000 2.318 261 L HA 0.395 4.735 4.340 0.001 0.000 0.277 261 L C -0.107 176.679 176.870 -0.139 0.000 1.008 261 L CA -0.844 53.922 54.840 -0.123 0.000 0.846 261 L CB 1.443 43.450 42.059 -0.087 0.000 1.220 261 L HN 0.193 nan 8.230 nan 0.000 0.423 262 V N -0.650 119.133 119.914 -0.218 0.000 3.126 262 V HA 0.622 4.743 4.120 0.001 0.000 0.314 262 V C 0.278 176.235 176.094 -0.229 0.000 1.138 262 V CA -0.670 61.488 62.300 -0.237 0.000 1.034 262 V CB 1.914 33.517 31.823 -0.366 0.000 1.075 262 V HN 0.771 nan 8.190 nan 0.000 0.442 263 E N -1.187 118.906 120.200 -0.179 0.000 3.496 263 E HA -0.166 4.184 4.350 0.001 0.000 0.300 263 E C 0.108 176.650 176.600 -0.098 0.000 0.877 263 E CA 0.947 57.261 56.400 -0.143 0.000 1.050 263 E CB -1.392 28.206 29.700 -0.170 0.000 1.532 263 E HN 0.711 nan 8.360 nan 0.000 0.447 264 V N 2.139 122.003 119.914 -0.084 0.000 2.485 264 V HA 0.081 4.201 4.120 0.001 0.000 0.287 264 V C 0.686 176.753 176.094 -0.044 0.000 1.022 264 V CA 0.248 62.514 62.300 -0.056 0.000 1.067 264 V CB 1.015 32.811 31.823 -0.045 0.000 0.967 264 V HN 0.172 nan 8.190 nan 0.000 0.479 265 N N 7.190 125.868 118.700 -0.037 0.000 2.531 265 N HA 0.385 5.126 4.740 0.001 0.000 0.268 265 N C -2.124 173.371 175.510 -0.024 0.000 1.023 265 N CA -2.073 50.959 53.050 -0.031 0.000 0.896 265 N CB 2.598 41.066 38.487 -0.032 0.000 1.233 265 N HN 0.124 nan 8.380 nan 0.000 0.512 266 P HA -0.046 nan 4.420 nan 0.000 0.214 266 P C 1.490 178.776 177.300 -0.023 0.000 1.163 266 P CA 0.803 63.889 63.100 -0.023 0.000 0.883 266 P CB 0.368 32.051 31.700 -0.028 0.000 0.788 267 I N -1.634 118.923 120.570 -0.022 0.000 2.367 267 I HA -0.233 3.938 4.170 0.001 0.000 0.256 267 I C 1.770 177.877 176.117 -0.015 0.000 1.132 267 I CA 1.719 63.008 61.300 -0.019 0.000 1.397 267 I CB -0.632 37.358 38.000 -0.017 0.000 1.074 267 I HN -0.051 nan 8.210 nan 0.000 0.435 268 L N -1.614 119.600 121.223 -0.015 0.000 2.858 268 L HA 0.229 4.570 4.340 0.001 0.000 0.251 268 L C 0.774 177.637 176.870 -0.012 0.000 1.149 268 L CA -0.328 54.505 54.840 -0.012 0.000 0.955 268 L CB -0.134 41.919 42.059 -0.009 0.000 1.289 268 L HN 0.068 nan 8.230 nan 0.000 0.542 269 D N 1.250 121.641 120.400 -0.015 0.000 2.425 269 D HA 0.227 4.867 4.640 0.001 0.000 0.274 269 D C -0.300 175.991 176.300 -0.015 0.000 1.242 269 D CA 0.050 54.041 54.000 -0.015 0.000 1.060 269 D CB 0.840 41.631 40.800 -0.016 0.000 1.112 269 D HN 0.030 nan 8.370 nan 0.000 0.561 270 E N 0.280 120.471 120.200 -0.016 0.000 2.294 270 E HA 0.273 4.623 4.350 0.001 0.000 0.272 270 E C -0.416 176.174 176.600 -0.017 0.000 0.896 270 E CA -0.646 55.744 56.400 -0.016 0.000 0.802 270 E CB 1.746 31.436 29.700 -0.017 0.000 1.267 270 E HN 0.279 nan 8.360 nan 0.000 0.406 271 R N 1.992 122.482 120.500 -0.017 0.000 3.847 271 R HA -0.249 4.092 4.340 0.001 0.000 0.304 271 R C -0.010 176.284 176.300 -0.010 0.000 1.203 271 R CA 0.996 57.087 56.100 -0.015 0.000 0.835 271 R CB -2.248 28.042 30.300 -0.016 0.000 1.253 271 R HN 0.961 nan 8.270 nan 0.000 0.516 272 N N 0.091 118.785 118.700 -0.010 0.000 2.727 272 N HA -0.235 4.505 4.740 0.001 0.000 0.249 272 N C 1.163 176.674 175.510 0.000 0.000 1.048 272 N CA 1.620 54.668 53.050 -0.003 0.000 0.714 272 N CB -0.283 38.208 38.487 0.006 0.000 0.959 272 N HN 0.725 nan 8.380 nan 0.000 0.544 273 R N -2.633 117.862 120.500 -0.007 0.000 2.090 273 R HA 0.005 4.345 4.340 0.001 0.000 0.228 273 R C 1.440 177.739 176.300 -0.002 0.000 1.110 273 R CA 1.584 57.679 56.100 -0.009 0.000 0.973 273 R CB -0.760 29.526 30.300 -0.023 0.000 0.869 273 R HN 0.219 nan 8.270 nan 0.000 0.440 274 T N 1.489 116.040 114.554 -0.006 0.000 2.788 274 T HA -0.066 4.284 4.350 0.001 0.000 0.268 274 T C 2.124 176.820 174.700 -0.006 0.000 1.044 274 T CA 1.501 63.596 62.100 -0.008 0.000 1.139 274 T CB -0.190 68.668 68.868 -0.016 0.000 0.867 274 T HN 0.479 nan 8.240 nan 0.000 0.454 275 A N 1.791 124.610 122.820 -0.002 0.000 1.841 275 A HA -0.101 4.219 4.320 0.001 0.000 0.214 275 A C 2.195 179.786 177.584 0.013 0.000 1.195 275 A CA 1.519 53.557 52.037 0.002 0.000 0.611 275 A CB -0.699 18.310 19.000 0.014 0.000 0.835 275 A HN 0.526 nan 8.150 nan 0.000 0.443 276 E N -0.722 119.492 120.200 0.022 0.000 2.068 276 E HA -0.289 4.061 4.350 0.001 0.000 0.207 276 E C 2.148 178.782 176.600 0.057 0.000 1.032 276 E CA 1.729 58.151 56.400 0.036 0.000 0.839 276 E CB -0.360 29.358 29.700 0.030 0.000 0.758 276 E HN 0.485 nan 8.360 nan 0.000 0.457 277 M N 0.059 119.694 119.600 0.058 0.000 2.352 277 M HA -0.255 4.225 4.480 0.001 0.000 0.260 277 M C 2.500 178.832 176.300 0.054 0.000 1.068 277 M CA 1.532 56.887 55.300 0.092 0.000 1.082 277 M CB -0.974 31.659 32.600 0.055 0.000 1.262 277 M HN 0.170 nan 8.290 nan 0.000 0.444 278 L N -0.250 120.974 121.223 0.003 0.000 2.081 278 L HA -0.187 4.154 4.340 0.001 0.000 0.212 278 L C 2.474 179.333 176.870 -0.018 0.000 1.080 278 L CA 1.346 56.168 54.840 -0.031 0.000 0.754 278 L CB -1.090 40.939 42.059 -0.049 0.000 0.893 278 L HN 0.130 nan 8.230 nan 0.000 0.433 279 V N -0.808 119.108 119.914 0.003 0.000 2.515 279 V HA -0.169 3.951 4.120 0.001 0.000 0.250 279 V C 2.494 178.604 176.094 0.027 0.000 1.058 279 V CA 1.635 63.935 62.300 -0.000 0.000 1.064 279 V CB -1.332 30.493 31.823 0.003 0.000 0.675 279 V HN 0.571 nan 8.190 nan 0.000 0.461 280 G N -0.285 108.566 108.800 0.084 0.000 2.404 280 G HA2 -0.182 3.778 3.960 0.001 0.000 0.215 280 G HA3 -0.182 3.778 3.960 0.001 0.000 0.215 280 G C 1.609 176.632 174.900 0.205 0.000 1.174 280 G CA 0.695 45.893 45.100 0.163 0.000 0.780 280 G HN 0.437 nan 8.290 nan 0.000 0.537 281 L N 0.684 121.976 121.223 0.115 0.000 2.079 281 L HA -0.114 4.227 4.340 0.001 0.000 0.210 281 L C 3.384 180.245 176.870 -0.015 0.000 1.081 281 L CA 1.037 55.852 54.840 -0.043 0.000 0.752 281 L CB -0.283 41.649 42.059 -0.211 0.000 0.896 281 L HN 0.336 nan 8.230 nan 0.000 0.433 282 A N 0.125 122.927 122.820 -0.030 0.000 1.841 282 A HA -0.185 4.136 4.320 0.001 0.000 0.214 282 A C 2.156 179.699 177.584 -0.068 0.000 1.195 282 A CA 1.347 53.344 52.037 -0.066 0.000 0.611 282 A CB -0.862 18.087 19.000 -0.084 0.000 0.835 282 A HN 0.337 nan 8.150 nan 0.000 0.443 283 L N 0.093 121.294 121.223 -0.037 0.000 2.151 283 L HA -0.285 4.056 4.340 0.001 0.000 0.215 283 L C 2.725 179.595 176.870 0.001 0.000 1.084 283 L CA 1.651 56.479 54.840 -0.021 0.000 0.764 283 L CB -0.458 41.607 42.059 0.011 0.000 0.891 283 L HN 0.376 nan 8.230 nan 0.000 0.435 284 S N -0.562 115.154 115.700 0.026 0.000 2.388 284 S HA -0.072 4.398 4.470 0.001 0.000 0.223 284 S C 1.769 176.377 174.600 0.013 0.000 1.034 284 S CA 0.564 58.786 58.200 0.038 0.000 0.963 284 S CB -0.180 63.092 63.200 0.119 0.000 0.827 284 S HN 0.250 nan 8.310 nan 0.000 0.481 285 L N 1.450 122.666 121.223 -0.011 0.000 2.127 285 L HA 0.058 4.399 4.340 0.001 0.000 0.211 285 L C 1.288 178.140 176.870 -0.031 0.000 1.089 285 L CA 1.631 56.462 54.840 -0.016 0.000 0.757 285 L CB -0.552 41.492 42.059 -0.024 0.000 0.899 285 L HN 0.194 nan 8.230 nan 0.000 0.434 286 L N -0.216 120.952 121.223 -0.092 0.000 2.627 286 L HA 0.356 4.696 4.340 0.001 0.000 0.232 286 L C 1.524 178.438 176.870 0.074 0.000 1.150 286 L CA 0.847 55.621 54.840 -0.110 0.000 0.917 286 L CB -0.302 41.526 42.059 -0.385 0.000 1.104 286 L HN 0.423 nan 8.230 nan 0.000 0.445 287 G N -1.243 107.584 108.800 0.046 0.000 2.229 287 G HA2 -0.252 3.709 3.960 0.001 0.000 0.189 287 G HA3 -0.252 3.709 3.960 0.001 0.000 0.189 287 G C 0.408 175.325 174.900 0.027 0.000 1.000 287 G CA -0.135 44.993 45.100 0.047 0.000 0.663 287 G HN 0.278 nan 8.290 nan 0.000 0.493 288 K N 1.190 121.607 120.400 0.029 0.000 2.451 288 K HA 0.611 4.932 4.320 0.001 0.000 0.280 288 K C 0.546 177.144 176.600 -0.002 0.000 1.020 288 K CA 0.278 56.572 56.287 0.011 0.000 1.008 288 K CB 0.201 32.705 32.500 0.007 0.000 0.917 288 K HN 0.443 nan 8.250 nan 0.000 0.478 289 R N 3.247 123.746 120.500 -0.001 0.000 2.774 289 R HA 0.339 4.680 4.340 0.001 0.000 0.272 289 R C 0.418 176.731 176.300 0.021 0.000 1.000 289 R CA -0.822 55.283 56.100 0.007 0.000 0.906 289 R CB 0.748 31.061 30.300 0.022 0.000 1.227 289 R HN 0.487 nan 8.270 nan 0.000 0.468 290 I N 0.493 121.081 120.570 0.031 0.000 2.141 290 I HA -0.034 4.136 4.170 0.001 0.000 0.236 290 I C 1.054 177.248 176.117 0.129 0.000 1.071 290 I CA 1.380 62.702 61.300 0.037 0.000 1.345 290 I CB -0.057 37.951 38.000 0.012 0.000 1.066 290 I HN 0.336 nan 8.210 nan 0.000 0.406 291 F N 0.000 119.932 119.950 -0.030 0.000 2.286 291 F HA 0.000 4.527 4.527 0.001 0.000 0.279 291 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 291 F CB 0.000 38.987 39.000 -0.021 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574