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_A 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 0.000 176.752 176.600 0.253 0.000 1.382 2 E CA 0.000 56.465 56.400 0.109 0.000 0.976 2 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 3 R N 1.276 121.898 120.500 0.203 0.000 2.297 3 R HA 0.671 5.011 4.340 0.000 0.000 0.308 3 R C -1.322 175.075 176.300 0.162 0.000 1.029 3 R CA -0.450 55.747 56.100 0.161 0.000 0.929 3 R CB 1.674 32.041 30.300 0.112 0.000 1.046 3 R HN -0.020 nan 8.270 nan 0.000 0.461 4 V N 2.600 122.576 119.914 0.103 0.000 2.686 4 V HA 0.637 4.758 4.120 0.000 0.000 0.306 4 V C -0.825 175.300 176.094 0.052 0.000 1.065 4 V CA -0.918 61.414 62.300 0.053 0.000 0.894 4 V CB 1.976 33.709 31.823 -0.150 0.000 1.004 4 V HN 0.905 nan 8.190 nan 0.000 0.424 5 A N 4.384 127.251 122.820 0.077 0.000 2.318 5 A HA 0.883 5.204 4.320 0.000 0.000 0.324 5 A C -0.851 176.758 177.584 0.042 0.000 1.170 5 A CA -0.543 51.524 52.037 0.050 0.000 0.810 5 A CB 1.503 20.532 19.000 0.048 0.000 1.198 5 A HN 0.691 nan 8.150 nan 0.000 0.484 6 V N 2.763 122.690 119.914 0.022 0.000 2.459 6 V HA 0.620 4.740 4.120 0.000 0.000 0.295 6 V C -0.364 175.737 176.094 0.012 0.000 1.029 6 V CA -0.491 61.817 62.300 0.014 0.000 0.874 6 V CB 1.405 33.227 31.823 -0.002 0.000 0.985 6 V HN 0.905 nan 8.190 nan 0.000 0.438 7 V N 4.477 124.399 119.914 0.013 0.000 2.686 7 V HA 0.927 5.047 4.120 0.000 0.000 0.306 7 V C 0.188 176.287 176.094 0.008 0.000 1.065 7 V CA 0.105 62.412 62.300 0.012 0.000 0.894 7 V CB 1.835 33.667 31.823 0.015 0.000 1.004 7 V HN 0.950 nan 8.190 nan 0.000 0.424 8 G N 4.095 112.899 108.800 0.008 0.000 2.389 8 G HA2 0.591 4.551 3.960 0.000 0.000 0.317 8 G HA3 0.591 4.551 3.960 0.000 0.000 0.317 8 G C -0.984 173.918 174.900 0.003 0.000 1.137 8 G CA -0.491 44.612 45.100 0.005 0.000 0.870 8 G HN 1.120 nan 8.290 nan 0.000 0.496 9 V N 3.164 123.076 119.914 -0.003 0.000 2.467 9 V HA 0.240 4.361 4.120 0.000 0.000 0.260 9 V C -2.094 173.991 176.094 -0.014 0.000 0.963 9 V CA -1.167 61.129 62.300 -0.006 0.000 0.856 9 V CB 1.682 33.502 31.823 -0.006 0.000 1.087 9 V HN 0.720 nan 8.190 nan 0.000 0.467 10 P HA 0.084 nan 4.420 nan 0.000 0.244 10 P C -0.341 176.940 177.300 -0.032 0.000 1.723 10 P CA 0.236 63.324 63.100 -0.020 0.000 1.110 10 P CB 0.225 31.917 31.700 -0.013 0.000 1.972 11 M N 2.770 122.348 119.600 -0.037 0.000 2.078 11 M HA 0.352 4.833 4.480 0.000 0.000 0.320 11 M C -1.203 175.063 176.300 -0.057 0.000 0.969 11 M CA -0.471 54.800 55.300 -0.050 0.000 0.929 11 M CB 1.202 33.779 32.600 -0.040 0.000 1.504 11 M HN -0.191 nan 8.290 nan 0.000 0.419 12 D N 6.399 126.753 120.400 -0.077 0.000 2.404 12 D HA 0.479 5.119 4.640 0.000 0.000 0.267 12 D C -1.606 174.625 176.300 -0.116 0.000 1.194 12 D CA -0.089 53.868 54.000 -0.073 0.000 0.910 12 D CB 0.605 41.369 40.800 -0.061 0.000 1.090 12 D HN 0.666 nan 8.370 nan 0.000 0.511 20 V N -1.378 118.506 119.914 -0.050 0.000 3.380 20 V HA 0.069 4.189 4.120 0.000 0.000 0.268 20 V C 1.895 177.959 176.094 -0.050 0.000 1.168 20 V CA 1.544 63.810 62.300 -0.058 0.000 1.156 20 V CB 0.039 31.814 31.823 -0.080 0.000 0.785 20 V HN 0.482 nan 8.190 nan 0.000 0.487 21 D N 0.462 120.834 120.400 -0.045 0.000 2.348 21 D HA -0.146 4.494 4.640 0.000 0.000 0.216 21 D C 1.698 177.979 176.300 -0.031 0.000 0.970 21 D CA 0.933 54.910 54.000 -0.039 0.000 0.889 21 D CB -0.139 40.636 40.800 -0.041 0.000 0.912 21 D HN 0.511 nan 8.370 nan 0.000 0.524 22 M N 0.073 119.652 119.600 -0.034 0.000 2.502 22 M HA 0.214 4.694 4.480 0.000 0.000 0.243 22 M C 2.086 178.370 176.300 -0.026 0.000 1.130 22 M CA 0.361 55.641 55.300 -0.033 0.000 1.055 22 M CB 0.590 33.164 32.600 -0.044 0.000 1.457 22 M HN 0.062 nan 8.290 nan 0.000 0.488 23 G N 2.157 110.941 108.800 -0.028 0.000 2.440 23 G HA2 -0.166 3.795 3.960 0.000 0.000 0.218 23 G HA3 -0.166 3.795 3.960 0.000 0.000 0.218 23 G C -1.091 173.807 174.900 -0.004 0.000 1.154 23 G CA 0.669 45.754 45.100 -0.024 0.000 0.767 23 G HN 0.334 nan 8.290 nan 0.000 0.552 24 P HA -0.028 nan 4.420 nan 0.000 0.218 24 P C 2.177 179.517 177.300 0.067 0.000 1.149 24 P CA 1.550 64.663 63.100 0.021 0.000 0.817 24 P CB 0.022 31.731 31.700 0.014 0.000 0.785 25 S N -0.237 115.516 115.700 0.089 0.000 2.357 25 S HA -0.096 4.375 4.470 0.000 0.000 0.221 25 S C 2.105 176.870 174.600 0.276 0.000 1.031 25 S CA 1.200 59.529 58.200 0.215 0.000 0.982 25 S CB -1.217 62.047 63.200 0.106 0.000 0.853 25 S HN 0.123 nan 8.310 nan 0.000 0.458 26 A N 1.888 124.764 122.820 0.094 0.000 1.892 26 A HA -0.117 4.203 4.320 0.000 0.000 0.218 26 A C 2.158 179.807 177.584 0.108 0.000 1.188 26 A CA 1.512 53.590 52.037 0.070 0.000 0.631 26 A CB -0.942 18.063 19.000 0.009 0.000 0.822 26 A HN 0.450 nan 8.150 nan 0.000 0.447 27 L N -1.366 119.899 121.223 0.071 0.000 2.093 27 L HA -0.173 4.167 4.340 0.000 0.000 0.208 27 L C 2.908 179.808 176.870 0.051 0.000 1.085 27 L CA 1.401 56.267 54.840 0.043 0.000 0.755 27 L CB -0.428 41.636 42.059 0.009 0.000 0.904 27 L HN 0.356 nan 8.230 nan 0.000 0.435 28 R N -0.996 119.548 120.500 0.074 0.000 2.066 28 R HA -0.141 4.199 4.340 0.000 0.000 0.232 28 R C 2.275 178.547 176.300 -0.045 0.000 1.131 28 R CA 1.470 57.569 56.100 -0.002 0.000 0.955 28 R CB -0.510 29.769 30.300 -0.034 0.000 0.851 28 R HN 0.281 nan 8.270 nan 0.000 0.432 29 Y N 0.558 120.852 120.300 -0.008 0.000 2.403 29 Y HA -0.129 4.422 4.550 0.001 0.000 0.291 29 Y C 2.186 178.084 175.900 -0.004 0.000 1.143 29 Y CA 0.787 58.884 58.100 -0.006 0.000 1.257 29 Y CB -0.088 38.369 38.460 -0.006 0.000 0.984 29 Y HN 0.147 nan 8.280 nan 0.000 0.550 30 A N 0.192 123.081 122.820 0.116 0.000 2.252 30 A HA 0.049 4.369 4.320 0.000 0.000 0.207 30 A C 0.818 178.419 177.584 0.028 0.000 1.194 30 A CA 0.054 52.131 52.037 0.066 0.000 0.809 30 A CB -0.599 18.431 19.000 0.051 0.000 0.814 30 A HN 0.447 nan 8.150 nan 0.000 0.482 31 R N -2.387 118.114 120.500 0.001 0.000 3.201 31 R HA -0.187 4.153 4.340 0.000 0.000 0.254 31 R C 0.603 176.892 176.300 -0.019 0.000 0.978 31 R CA 0.559 56.644 56.100 -0.025 0.000 0.661 31 R CB -2.189 28.104 30.300 -0.013 0.000 1.170 31 R HN 0.517 nan 8.270 nan 0.000 0.430 32 L N 0.428 121.636 121.223 -0.025 0.000 2.007 32 L HA -0.082 4.258 4.340 0.000 0.000 0.205 32 L C 1.934 178.784 176.870 -0.033 0.000 1.073 32 L CA 1.755 56.579 54.840 -0.027 0.000 0.744 32 L CB -0.276 41.766 42.059 -0.029 0.000 0.898 32 L HN 0.408 nan 8.230 nan 0.000 0.435 33 L N 0.029 121.230 121.223 -0.037 0.000 1.963 33 L HA -0.284 4.056 4.340 0.000 0.000 0.220 33 L C 2.539 179.398 176.870 -0.019 0.000 1.076 33 L CA 2.087 56.908 54.840 -0.032 0.000 0.772 33 L CB -0.957 41.080 42.059 -0.038 0.000 0.892 33 L HN 0.323 nan 8.230 nan 0.000 0.435 34 E N -0.694 119.492 120.200 -0.023 0.000 2.048 34 E HA -0.294 4.056 4.350 0.000 0.000 0.202 34 E C 2.171 178.772 176.600 0.001 0.000 1.021 34 E CA 1.805 58.197 56.400 -0.013 0.000 0.825 34 E CB -0.427 29.261 29.700 -0.020 0.000 0.756 34 E HN 0.548 nan 8.360 nan 0.000 0.454 35 Q N -0.221 119.579 119.800 -0.001 0.000 2.291 35 Q HA -0.091 4.250 4.340 0.000 0.000 0.206 35 Q C 2.192 178.206 176.000 0.024 0.000 0.976 35 Q CA 0.765 56.574 55.803 0.010 0.000 0.875 35 Q CB -0.091 28.652 28.738 0.008 0.000 0.927 35 Q HN 0.312 nan 8.270 nan 0.000 0.450 36 L N -0.065 121.169 121.223 0.017 0.000 2.131 36 L HA -0.128 4.212 4.340 0.000 0.000 0.206 36 L C 2.165 179.108 176.870 0.121 0.000 1.087 36 L CA 0.841 55.708 54.840 0.045 0.000 0.767 36 L CB -0.062 41.971 42.059 -0.044 0.000 0.917 36 L HN 0.199 nan 8.230 nan 0.000 0.441 37 E N 0.090 120.330 120.200 0.067 0.000 2.051 37 E HA -0.228 4.122 4.350 0.000 0.000 0.192 37 E C 1.700 178.327 176.600 0.046 0.000 0.991 37 E CA 1.439 57.876 56.400 0.062 0.000 0.799 37 E CB 0.129 29.847 29.700 0.030 0.000 0.748 37 E HN 0.399 nan 8.360 nan 0.000 0.449 38 D N 0.431 120.850 120.400 0.032 0.000 2.158 38 D HA -0.183 4.458 4.640 0.000 0.000 0.197 38 D C 1.796 178.109 176.300 0.022 0.000 0.995 38 D CA 0.664 54.675 54.000 0.019 0.000 0.846 38 D CB -0.208 40.601 40.800 0.015 0.000 0.941 38 D HN 0.125 nan 8.370 nan 0.000 0.456 39 L N -0.331 120.925 121.223 0.054 0.000 2.362 39 L HA 0.077 4.417 4.340 0.000 0.000 0.219 39 L C 1.515 178.370 176.870 -0.025 0.000 1.134 39 L CA 1.498 56.372 54.840 0.058 0.000 0.807 39 L CB -0.272 41.888 42.059 0.168 0.000 0.927 39 L HN 0.275 nan 8.230 nan 0.000 0.447 40 G N -3.200 105.588 108.800 -0.021 0.000 2.154 40 G HA2 -0.264 3.696 3.960 0.000 0.000 0.186 40 G HA3 -0.264 3.696 3.960 0.000 0.000 0.186 40 G C -0.085 174.710 174.900 -0.176 0.000 1.000 40 G CA -0.148 44.877 45.100 -0.126 0.000 0.664 40 G HN 0.254 nan 8.290 nan 0.000 0.513 41 Y N 1.246 121.521 120.300 -0.041 0.000 2.387 41 Y HA 0.592 5.142 4.550 0.000 0.000 0.330 41 Y C 1.121 177.006 175.900 -0.025 0.000 1.133 41 Y CA 0.076 58.152 58.100 -0.040 0.000 1.152 41 Y CB 1.681 40.103 38.460 -0.063 0.000 1.215 41 Y HN 0.217 nan 8.280 nan 0.000 0.466 42 T N 0.295 114.942 114.554 0.155 0.000 2.743 42 T HA 0.656 5.006 4.350 0.000 0.000 0.293 42 T C -0.640 174.113 174.700 0.089 0.000 0.945 42 T CA -0.646 61.506 62.100 0.087 0.000 1.030 42 T CB 0.170 69.073 68.868 0.058 0.000 0.912 42 T HN 0.337 nan 8.240 nan 0.000 0.483 43 V N 3.260 123.208 119.914 0.057 0.000 2.628 43 V HA 0.626 4.746 4.120 0.000 0.000 0.306 43 V C -0.068 176.038 176.094 0.021 0.000 1.045 43 V CA -0.968 61.352 62.300 0.033 0.000 0.905 43 V CB 1.714 33.543 31.823 0.011 0.000 0.997 43 V HN 1.045 nan 8.190 nan 0.000 0.436 44 E N 2.088 122.300 120.200 0.020 0.000 2.210 44 E HA 0.347 4.697 4.350 0.000 0.000 0.266 44 E C -1.564 175.041 176.600 0.010 0.000 0.883 44 E CA -0.648 55.761 56.400 0.015 0.000 0.761 44 E CB 1.887 31.600 29.700 0.022 0.000 1.156 44 E HN 0.694 nan 8.360 nan 0.000 0.412 45 D N 5.306 125.708 120.400 0.003 0.000 2.467 45 D HA 0.157 4.797 4.640 0.000 0.000 0.220 45 D C 0.980 177.283 176.300 0.005 0.000 1.103 45 D CA -0.228 53.772 54.000 0.000 0.000 0.886 45 D CB 0.772 41.566 40.800 -0.010 0.000 1.025 45 D HN 0.580 nan 8.370 nan 0.000 0.514 46 L N 2.589 123.818 121.223 0.010 0.000 2.362 46 L HA 0.104 4.444 4.340 0.000 0.000 0.219 46 L C 1.644 178.520 176.870 0.010 0.000 1.134 46 L CA 0.639 55.486 54.840 0.012 0.000 0.807 46 L CB -0.715 41.353 42.059 0.015 0.000 0.927 46 L HN 0.622 nan 8.230 nan 0.000 0.447 47 G N -0.126 108.679 108.800 0.009 0.000 2.482 47 G HA2 -0.191 3.769 3.960 0.000 0.000 0.214 47 G HA3 -0.191 3.769 3.960 0.000 0.000 0.214 47 G C -1.252 173.655 174.900 0.011 0.000 1.271 47 G CA -0.449 44.657 45.100 0.010 0.000 0.944 47 G HN 0.158 nan 8.290 nan 0.000 0.568 48 D N -0.345 120.063 120.400 0.012 0.000 2.248 48 D HA 0.559 5.199 4.640 0.000 0.000 0.246 48 D C 0.213 176.520 176.300 0.011 0.000 1.027 48 D CA -0.326 53.681 54.000 0.011 0.000 0.853 48 D CB 1.956 42.763 40.800 0.011 0.000 1.243 48 D HN 0.423 nan 8.370 nan 0.000 0.462 49 V N 4.219 124.139 119.914 0.011 0.000 2.508 49 V HA 0.199 4.319 4.120 0.000 0.000 0.281 49 V C -1.790 174.310 176.094 0.010 0.000 1.041 49 V CA -1.110 61.197 62.300 0.013 0.000 1.016 49 V CB 0.751 32.582 31.823 0.014 0.000 0.984 49 V HN 0.447 nan 8.190 nan 0.000 0.478 50 P HA 0.198 nan 4.420 nan 0.000 0.268 50 P C -0.940 176.363 177.300 0.006 0.000 1.205 50 P CA 0.130 63.235 63.100 0.008 0.000 0.771 50 P CB 0.972 32.679 31.700 0.011 0.000 0.858 51 V N 0.880 120.792 119.914 -0.003 0.000 2.888 51 V HA 0.770 4.890 4.120 0.000 0.000 0.309 51 V C 0.352 176.435 176.094 -0.018 0.000 1.114 51 V CA -0.201 62.092 62.300 -0.012 0.000 0.940 51 V CB 1.344 33.151 31.823 -0.026 0.000 1.021 51 V HN 0.925 nan 8.190 nan 0.000 0.426 65 A N 0.369 123.118 122.820 -0.118 0.000 2.538 65 A HA 0.007 4.327 4.320 0.000 0.000 0.280 65 A C -0.275 177.283 177.584 -0.044 0.000 0.987 65 A CA 1.135 53.052 52.037 -0.200 0.000 0.992 65 A CB -1.518 17.413 19.000 -0.115 0.000 0.841 65 A HN 0.690 nan 8.150 nan 0.000 0.478 66 Y N -0.856 119.420 120.300 -0.039 0.000 4.668 66 Y HA -0.266 4.284 4.550 0.000 0.000 0.234 66 Y C 1.285 177.160 175.900 -0.042 0.000 1.056 66 Y CA 0.713 58.793 58.100 -0.032 0.000 2.025 66 Y CB -2.273 36.177 38.460 -0.017 0.000 1.613 66 Y HN 0.628 nan 8.280 nan 0.000 0.653 67 L N 0.064 121.302 121.223 0.025 0.000 1.997 67 L HA -0.307 4.034 4.340 0.000 0.000 0.216 67 L C 2.271 179.154 176.870 0.020 0.000 1.074 67 L CA 2.227 57.046 54.840 -0.035 0.000 0.763 67 L CB -0.054 41.891 42.059 -0.191 0.000 0.890 67 L HN 0.278 nan 8.230 nan 0.000 0.434 68 E N -0.128 120.087 120.200 0.025 0.000 2.107 68 E HA -0.205 4.146 4.350 0.000 0.000 0.191 68 E C 2.047 178.693 176.600 0.078 0.000 0.982 68 E CA 1.142 57.571 56.400 0.049 0.000 0.809 68 E CB -0.106 29.613 29.700 0.032 0.000 0.756 68 E HN 0.576 nan 8.360 nan 0.000 0.459 69 E N 0.488 120.754 120.200 0.110 0.000 2.152 69 E HA -0.027 4.323 4.350 0.000 0.000 0.192 69 E C 2.110 178.752 176.600 0.070 0.000 0.983 69 E CA 0.420 56.881 56.400 0.101 0.000 0.818 69 E CB -0.107 29.679 29.700 0.143 0.000 0.758 69 E HN 0.249 nan 8.360 nan 0.000 0.467 70 I N 0.339 120.955 120.570 0.077 0.000 2.193 70 I HA -0.199 3.971 4.170 0.000 0.000 0.240 70 I C 2.567 178.722 176.117 0.064 0.000 1.084 70 I CA 0.850 62.174 61.300 0.041 0.000 1.365 70 I CB -0.157 37.863 38.000 0.034 0.000 1.064 70 I HN 0.019 nan 8.210 nan 0.000 0.410 71 R N 1.205 121.779 120.500 0.124 0.000 2.127 71 R HA -0.198 4.142 4.340 0.000 0.000 0.238 71 R C 2.234 178.671 176.300 0.229 0.000 1.134 71 R CA 1.610 57.866 56.100 0.260 0.000 0.975 71 R CB -0.167 30.263 30.300 0.217 0.000 0.865 71 R HN 0.384 nan 8.270 nan 0.000 0.447 72 A N 0.155 123.053 122.820 0.129 0.000 1.929 72 A HA 0.014 4.334 4.320 0.000 0.000 0.216 72 A C 2.209 179.848 177.584 0.092 0.000 1.176 72 A CA 1.363 53.459 52.037 0.099 0.000 0.628 72 A CB -0.428 18.613 19.000 0.068 0.000 0.816 72 A HN 0.498 nan 8.150 nan 0.000 0.444 73 A N -0.482 122.381 122.820 0.073 0.000 1.935 73 A HA 0.408 4.729 4.320 0.000 0.000 0.214 73 A C 2.321 179.939 177.584 0.056 0.000 1.178 73 A CA 1.336 53.402 52.037 0.049 0.000 0.640 73 A CB -0.713 18.299 19.000 0.019 0.000 0.825 73 A HN 0.947 nan 8.150 nan 0.000 0.447 74 A N -1.074 121.778 122.820 0.053 0.000 2.168 74 A HA 0.170 4.490 4.320 0.000 0.000 0.215 74 A C 1.879 179.607 177.584 0.240 0.000 1.152 74 A CA 1.264 53.300 52.037 -0.001 0.000 0.716 74 A CB -0.295 18.502 19.000 -0.337 0.000 0.794 74 A HN 0.421 nan 8.150 nan 0.000 0.465 75 L N -1.020 120.377 121.223 0.290 0.000 2.298 75 L HA 0.098 4.438 4.340 0.000 0.000 0.209 75 L C 2.286 179.237 176.870 0.136 0.000 1.084 75 L CA 1.254 56.249 54.840 0.259 0.000 0.816 75 L CB -0.244 41.917 42.059 0.171 0.000 0.967 75 L HN 0.140 nan 8.230 nan 0.000 0.460 76 V N -0.474 119.500 119.914 0.100 0.000 2.515 76 V HA -0.213 3.907 4.120 0.000 0.000 0.250 76 V C 2.353 178.482 176.094 0.059 0.000 1.058 76 V CA 1.443 63.781 62.300 0.063 0.000 1.064 76 V CB -0.436 31.416 31.823 0.048 0.000 0.675 76 V HN 0.407 nan 8.190 nan 0.000 0.461 77 L N 0.499 121.761 121.223 0.067 0.000 2.044 77 L HA -0.079 4.262 4.340 0.000 0.000 0.205 77 L C 2.420 179.329 176.870 0.064 0.000 1.075 77 L CA 2.161 57.032 54.840 0.052 0.000 0.747 77 L CB -0.841 41.240 42.059 0.036 0.000 0.903 77 L HN 0.247 nan 8.230 nan 0.000 0.435 78 K N -0.222 120.242 120.400 0.108 0.000 2.020 78 K HA -0.262 4.058 4.320 0.000 0.000 0.212 78 K C 1.940 178.582 176.600 0.069 0.000 1.050 78 K CA 2.289 58.646 56.287 0.115 0.000 0.929 78 K CB -0.264 32.363 32.500 0.211 0.000 0.714 78 K HN 0.505 nan 8.250 nan 0.000 0.443 79 E N -0.103 120.136 120.200 0.065 0.000 2.085 79 E HA -0.238 4.113 4.350 0.000 0.000 0.194 79 E C 2.199 178.818 176.600 0.031 0.000 0.994 79 E CA 1.379 57.802 56.400 0.039 0.000 0.801 79 E CB -0.096 29.625 29.700 0.034 0.000 0.743 79 E HN 0.258 nan 8.360 nan 0.000 0.453 80 R N 0.977 121.497 120.500 0.033 0.000 2.096 80 R HA -0.116 4.224 4.340 0.000 0.000 0.235 80 R C 2.091 178.404 176.300 0.022 0.000 1.127 80 R CA 1.062 57.178 56.100 0.026 0.000 0.968 80 R CB -0.188 30.128 30.300 0.027 0.000 0.861 80 R HN 0.151 nan 8.270 nan 0.000 0.440 81 L N -0.369 120.868 121.223 0.023 0.000 2.072 81 L HA 0.015 4.356 4.340 0.000 0.000 0.205 81 L C 2.528 179.404 176.870 0.010 0.000 1.079 81 L CA 1.137 55.985 54.840 0.014 0.000 0.752 81 L CB -0.592 41.473 42.059 0.011 0.000 0.906 81 L HN 0.356 nan 8.230 nan 0.000 0.436 82 A N 0.040 122.868 122.820 0.013 0.000 2.015 82 A HA -0.067 4.253 4.320 0.000 0.000 0.219 82 A C 2.335 179.925 177.584 0.010 0.000 1.163 82 A CA 1.421 53.464 52.037 0.009 0.000 0.646 82 A CB -0.472 18.535 19.000 0.011 0.000 0.806 82 A HN 0.385 nan 8.150 nan 0.000 0.448 83 A N -0.812 122.016 122.820 0.013 0.000 2.235 83 A HA 0.372 4.692 4.320 0.000 0.000 0.208 83 A C 0.898 178.491 177.584 0.014 0.000 1.172 83 A CA -0.120 51.925 52.037 0.013 0.000 0.786 83 A CB -0.429 18.579 19.000 0.014 0.000 0.804 83 A HN 0.449 nan 8.150 nan 0.000 0.479 84 L N 1.597 122.829 121.223 0.015 0.000 2.456 84 L HA 0.172 4.512 4.340 0.000 0.000 0.272 84 L C -1.769 175.112 176.870 0.020 0.000 1.189 84 L CA -1.729 53.121 54.840 0.018 0.000 0.846 84 L CB 0.463 42.532 42.059 0.017 0.000 1.111 84 L HN 0.152 nan 8.230 nan 0.000 0.475 85 P HA -0.044 nan 4.420 nan 0.000 0.267 85 P C -0.645 176.672 177.300 0.029 0.000 1.200 85 P CA -0.163 62.952 63.100 0.026 0.000 0.772 85 P CB 0.463 32.181 31.700 0.029 0.000 0.855 86 E N 0.848 121.064 120.200 0.027 0.000 2.465 86 E HA 0.243 4.593 4.350 0.000 0.000 0.260 86 E C 1.366 177.991 176.600 0.042 0.000 0.980 86 E CA 1.604 58.021 56.400 0.029 0.000 0.927 86 E CB -0.505 29.211 29.700 0.026 0.000 0.934 86 E HN 0.740 nan 8.360 nan 0.000 0.459 87 G N 2.550 111.381 108.800 0.052 0.000 2.254 87 G HA2 -0.254 3.707 3.960 0.000 0.000 0.225 87 G HA3 -0.254 3.707 3.960 0.000 0.000 0.225 87 G C 0.023 174.988 174.900 0.108 0.000 1.003 87 G CA -0.046 45.101 45.100 0.077 0.000 0.622 87 G HN 0.564 nan 8.290 nan 0.000 0.507 88 V N 1.907 121.874 119.914 0.089 0.000 2.508 88 V HA 0.500 4.620 4.120 0.000 0.000 0.281 88 V C 0.394 176.569 176.094 0.135 0.000 1.041 88 V CA -0.244 62.123 62.300 0.112 0.000 1.016 88 V CB 1.121 32.989 31.823 0.075 0.000 0.984 88 V HN 0.336 nan 8.190 nan 0.000 0.478 89 F N 9.054 129.012 119.950 0.012 0.000 2.421 89 F HA 0.457 4.984 4.527 0.000 0.000 0.358 89 F C -1.830 173.954 175.800 -0.026 0.000 1.115 89 F CA -1.994 56.000 58.000 -0.010 0.000 1.160 89 F CB 1.201 40.172 39.000 -0.048 0.000 1.123 89 F HN 0.340 nan 8.300 nan 0.000 0.508 90 P HA 0.307 nan 4.420 nan 0.000 0.292 90 P C -1.191 176.118 177.300 0.016 0.000 1.283 90 P CA -0.388 62.703 63.100 -0.016 0.000 0.835 90 P CB 2.260 33.926 31.700 -0.056 0.000 1.017 91 I N 3.264 123.878 120.570 0.073 0.000 2.439 91 I HA 0.225 4.395 4.170 0.000 0.000 0.285 91 I C -0.100 176.031 176.117 0.025 0.000 1.021 91 I CA -1.002 60.335 61.300 0.063 0.000 1.091 91 I CB 2.004 40.042 38.000 0.064 0.000 1.242 91 I HN 0.049 nan 8.210 nan 0.000 0.439 92 V N 6.903 126.826 119.914 0.015 0.000 2.350 92 V HA 0.361 4.481 4.120 0.000 0.000 0.276 92 V C 0.376 176.463 176.094 -0.011 0.000 1.028 92 V CA -0.579 61.727 62.300 0.010 0.000 0.860 92 V CB 1.525 33.364 31.823 0.026 0.000 0.990 92 V HN 0.416 nan 8.190 nan 0.000 0.453 93 L N 5.400 126.617 121.223 -0.011 0.000 2.278 93 L HA 0.719 5.060 4.340 0.000 0.000 0.287 93 L C 0.826 177.682 176.870 -0.024 0.000 1.072 93 L CA 0.180 55.007 54.840 -0.022 0.000 0.819 93 L CB 0.794 42.847 42.059 -0.011 0.000 1.176 93 L HN 0.767 nan 8.230 nan 0.000 0.435 94 G N 1.451 110.226 108.800 -0.042 0.000 3.015 94 G HA2 0.669 4.629 3.960 0.000 0.000 0.281 94 G HA3 0.669 4.629 3.960 0.000 0.000 0.281 94 G C -0.095 174.773 174.900 -0.053 0.000 1.386 94 G CA 0.044 45.120 45.100 -0.041 0.000 0.959 94 G HN 0.622 nan 8.290 nan 0.000 0.522 95 G N -1.114 107.656 108.800 -0.049 0.000 2.930 95 G HA2 0.352 4.312 3.960 0.000 0.000 0.209 95 G HA3 0.352 4.312 3.960 0.000 0.000 0.209 95 G C -0.287 174.572 174.900 -0.068 0.000 2.018 95 G CA -0.136 44.928 45.100 -0.060 0.000 0.751 95 G HN 0.503 nan 8.290 nan 0.000 0.770 96 D N -0.197 120.172 120.400 -0.051 0.000 2.443 96 D HA 0.003 4.643 4.640 0.000 0.000 0.234 96 D C 0.572 176.906 176.300 0.057 0.000 1.172 96 D CA 0.466 54.450 54.000 -0.027 0.000 0.878 96 D CB 0.702 41.515 40.800 0.021 0.000 1.204 96 D HN 0.475 nan 8.370 nan 0.000 0.453 97 H N -0.020 119.043 119.070 -0.012 0.000 2.547 97 H HA 0.029 4.585 4.556 0.000 0.000 0.266 97 H C 1.211 176.607 175.328 0.112 0.000 0.988 97 H CA -0.091 55.986 56.048 0.048 0.000 1.147 97 H CB 0.553 30.383 29.762 0.113 0.000 1.365 97 H HN 0.174 nan 8.280 nan 0.000 0.589 98 S N 0.622 116.431 115.700 0.181 0.000 2.453 98 S HA -0.108 4.362 4.470 0.000 0.000 0.231 98 S C 2.013 176.604 174.600 -0.014 0.000 1.005 98 S CA 0.601 58.842 58.200 0.069 0.000 0.949 98 S CB -0.079 63.151 63.200 0.051 0.000 0.774 98 S HN 0.451 nan 8.310 nan 0.000 0.510 99 L N 0.687 121.924 121.223 0.022 0.000 2.353 99 L HA 0.113 4.453 4.340 0.000 0.000 0.220 99 L C 1.760 178.619 176.870 -0.017 0.000 1.133 99 L CA 1.279 56.108 54.840 -0.020 0.000 0.798 99 L CB -1.315 40.749 42.059 0.008 0.000 0.922 99 L HN -0.034 nan 8.230 nan 0.000 0.445 100 S N -0.182 115.559 115.700 0.069 0.000 2.447 100 S HA 0.030 4.501 4.470 0.000 0.000 0.233 100 S C 1.852 176.463 174.600 0.018 0.000 1.006 100 S CA 1.487 59.758 58.200 0.117 0.000 0.957 100 S CB -0.392 63.000 63.200 0.320 0.000 0.773 100 S HN 0.523 nan 8.310 nan 0.000 0.507 101 M N 0.731 120.248 119.600 -0.138 0.000 2.159 101 M HA -0.044 4.436 4.480 0.000 0.000 0.263 101 M C 2.426 178.522 176.300 -0.339 0.000 1.063 101 M CA 1.539 56.656 55.300 -0.306 0.000 1.110 101 M CB -0.812 31.366 32.600 -0.703 0.000 1.374 101 M HN 0.438 nan 8.290 nan 0.000 0.411 102 G N 0.166 108.731 108.800 -0.392 0.000 2.404 102 G HA2 -0.171 3.789 3.960 0.000 0.000 0.213 102 G HA3 -0.171 3.789 3.960 0.000 0.000 0.213 102 G C 1.654 176.573 174.900 0.032 0.000 1.189 102 G CA 0.949 46.001 45.100 -0.081 0.000 0.796 102 G HN 0.529 nan 8.290 nan 0.000 0.532 103 S N 0.218 115.912 115.700 -0.011 0.000 2.406 103 S HA -0.035 4.435 4.470 0.000 0.000 0.228 103 S C 2.219 176.750 174.600 -0.115 0.000 1.020 103 S CA 1.316 59.508 58.200 -0.013 0.000 0.965 103 S CB -0.211 63.008 63.200 0.030 0.000 0.798 103 S HN 0.065 nan 8.310 nan 0.000 0.488 104 V N 1.737 121.551 119.914 -0.167 0.000 2.809 104 V HA 0.082 4.202 4.120 0.000 0.000 0.256 104 V C 2.916 178.926 176.094 -0.140 0.000 1.080 104 V CA 1.321 63.410 62.300 -0.351 0.000 1.102 104 V CB -1.163 30.532 31.823 -0.214 0.000 0.705 104 V HN 0.680 nan 8.190 nan 0.000 0.475 105 A N 0.492 123.305 122.820 -0.012 0.000 1.887 105 A HA 0.167 4.488 4.320 0.000 0.000 0.212 105 A C 2.371 179.971 177.584 0.028 0.000 1.198 105 A CA 1.316 53.383 52.037 0.050 0.000 0.628 105 A CB -1.017 18.088 19.000 0.175 0.000 0.847 105 A HN 0.446 nan 8.150 nan 0.000 0.449 106 G N -0.122 108.701 108.800 0.037 0.000 2.433 106 G HA2 0.019 3.979 3.960 0.000 0.000 0.216 106 G HA3 0.019 3.979 3.960 0.000 0.000 0.216 106 G C 1.717 176.613 174.900 -0.007 0.000 1.186 106 G CA 1.382 46.497 45.100 0.025 0.000 0.779 106 G HN 0.821 nan 8.290 nan 0.000 0.543 107 A N 0.771 123.569 122.820 -0.037 0.000 2.131 107 A HA 0.295 4.615 4.320 0.000 0.000 0.220 107 A C 2.612 180.169 177.584 -0.044 0.000 1.158 107 A CA 2.092 54.101 52.037 -0.047 0.000 0.665 107 A CB -0.425 18.545 19.000 -0.050 0.000 0.795 107 A HN 0.758 nan 8.150 nan 0.000 0.460 108 A N -0.751 122.043 122.820 -0.044 0.000 2.021 108 A HA 0.196 4.516 4.320 0.000 0.000 0.216 108 A C 1.206 178.786 177.584 -0.008 0.000 1.163 108 A CA 0.640 52.663 52.037 -0.023 0.000 0.676 108 A CB -0.190 18.799 19.000 -0.020 0.000 0.818 108 A HN 0.560 nan 8.150 nan 0.000 0.453 109 R N -1.862 118.635 120.500 -0.005 0.000 3.264 109 R HA -0.192 4.149 4.340 0.000 0.000 0.251 109 R C 0.959 177.260 176.300 0.002 0.000 0.971 109 R CA 0.403 56.503 56.100 0.000 0.000 0.658 109 R CB -2.642 27.659 30.300 0.000 0.000 1.095 109 R HN 1.534 nan 8.270 nan 0.000 0.443 110 G N -0.932 107.870 108.800 0.002 0.000 2.205 110 G HA2 -0.421 3.539 3.960 0.000 0.000 0.269 110 G HA3 -0.421 3.539 3.960 0.000 0.000 0.269 110 G C 0.352 175.255 174.900 0.005 0.000 0.977 110 G CA 0.753 45.854 45.100 0.002 0.000 0.652 110 G HN 0.413 nan 8.290 nan 0.000 0.539 111 R N 0.497 121.001 120.500 0.007 0.000 2.532 111 R HA 0.551 4.891 4.340 0.000 0.000 0.272 111 R C 0.568 176.876 176.300 0.013 0.000 1.032 111 R CA -1.428 54.678 56.100 0.010 0.000 1.089 111 R CB 0.446 30.753 30.300 0.011 0.000 1.098 111 R HN 0.349 nan 8.270 nan 0.000 0.526 112 R N 2.200 122.710 120.500 0.016 0.000 2.216 112 R HA 0.304 4.645 4.340 0.000 0.000 0.332 112 R C -0.650 175.667 176.300 0.028 0.000 1.056 112 R CA -0.334 55.778 56.100 0.020 0.000 0.901 112 R CB 0.189 30.500 30.300 0.017 0.000 1.039 112 R HN 0.397 nan 8.270 nan 0.000 0.456 113 V N 1.087 121.023 119.914 0.037 0.000 2.914 113 V HA 0.806 4.926 4.120 0.000 0.000 0.314 113 V C 0.142 176.280 176.094 0.074 0.000 1.084 113 V CA -0.902 61.431 62.300 0.054 0.000 0.963 113 V CB 1.811 33.667 31.823 0.056 0.000 1.025 113 V HN 0.771 nan 8.190 nan 0.000 0.432 114 G N 0.952 109.807 108.800 0.092 0.000 2.425 114 G HA2 0.590 4.550 3.960 0.000 0.000 0.302 114 G HA3 0.590 4.550 3.960 0.000 0.000 0.302 114 G C -0.987 174.010 174.900 0.162 0.000 1.159 114 G CA -0.675 44.494 45.100 0.116 0.000 0.865 114 G HN 1.025 nan 8.290 nan 0.000 0.515 115 V N 1.682 121.711 119.914 0.193 0.000 2.409 115 V HA 0.278 4.398 4.120 0.000 0.000 0.291 115 V C -0.190 176.070 176.094 0.276 0.000 1.020 115 V CA -0.634 61.831 62.300 0.275 0.000 0.848 115 V CB 1.726 33.740 31.823 0.319 0.000 0.990 115 V HN 0.506 nan 8.190 nan 0.000 0.430 116 V N 4.866 124.929 119.914 0.248 0.000 2.288 116 V HA 0.243 4.364 4.120 0.000 0.000 0.266 116 V C -0.204 176.044 176.094 0.257 0.000 1.048 116 V CA -0.469 61.955 62.300 0.207 0.000 0.842 116 V CB 0.835 32.724 31.823 0.110 0.000 1.064 116 V HN 0.876 nan 8.190 nan 0.000 0.472 117 W N 5.869 127.229 121.300 0.100 0.000 2.342 117 W HA 0.476 5.136 4.660 0.000 0.000 0.310 117 W C -0.843 175.735 176.519 0.098 0.000 1.128 117 W CA -0.412 57.005 57.345 0.120 0.000 1.322 117 W CB 1.684 31.216 29.460 0.120 0.000 1.251 117 W HN 0.355 nan 8.180 nan 0.000 0.439 118 V N 6.402 126.320 119.914 0.007 0.000 2.257 118 V HA 0.186 4.306 4.120 0.000 0.000 0.269 118 V C -0.191 175.874 176.094 -0.047 0.000 1.040 118 V CA -0.310 61.996 62.300 0.011 0.000 0.813 118 V CB 0.805 32.599 31.823 -0.048 0.000 1.065 118 V HN 0.429 nan 8.190 nan 0.000 0.457 119 D N 2.918 123.380 120.400 0.105 0.000 2.570 119 D HA 0.637 5.277 4.640 0.000 0.000 0.244 119 D C 0.605 176.979 176.300 0.124 0.000 1.178 119 D CA -0.142 53.947 54.000 0.148 0.000 0.881 119 D CB 2.978 44.040 40.800 0.435 0.000 1.453 119 D HN 0.302 nan 8.370 nan 0.000 0.447 120 A N 0.910 123.739 122.820 0.015 0.000 2.178 120 A HA 0.129 4.449 4.320 0.000 0.000 0.211 120 A C 0.207 177.599 177.584 -0.320 0.000 1.157 120 A CA 0.858 52.781 52.037 -0.190 0.000 0.780 120 A CB -0.345 18.456 19.000 -0.331 0.000 0.828 120 A HN 0.561 nan 8.150 nan 0.000 0.476 121 H N -3.345 115.839 119.070 0.189 0.000 2.737 121 H HA 0.661 5.217 4.556 0.000 0.000 0.358 121 H C 0.696 176.173 175.328 0.249 0.000 1.187 121 H CA -0.120 56.044 56.048 0.195 0.000 1.221 121 H CB 1.664 31.553 29.762 0.211 0.000 1.799 121 H HN 0.022 nan 8.280 nan 0.000 0.568 122 A N 0.018 123.011 122.820 0.289 0.000 2.348 122 A HA 0.091 4.411 4.320 0.000 0.000 0.224 122 A C -0.017 177.606 177.584 0.066 0.000 1.227 122 A CA -0.042 52.070 52.037 0.125 0.000 0.885 122 A CB -0.291 18.703 19.000 -0.011 0.000 0.933 122 A HN 0.826 nan 8.150 nan 0.000 0.506 123 D N -1.257 119.271 120.400 0.213 0.000 2.730 123 D HA -0.219 4.421 4.640 0.000 0.000 0.227 123 D C -0.370 175.952 176.300 0.036 0.000 1.196 123 D CA 0.964 55.041 54.000 0.128 0.000 0.620 123 D CB -1.087 39.819 40.800 0.177 0.000 1.012 123 D HN 0.491 nan 8.370 nan 0.000 0.411 124 F N 0.811 120.694 119.950 -0.113 0.000 2.879 124 F HA 0.234 4.761 4.527 0.000 0.000 0.354 124 F C 0.277 176.033 175.800 -0.073 0.000 1.291 124 F CA -0.650 57.270 58.000 -0.134 0.000 1.238 124 F CB 0.223 39.138 39.000 -0.142 0.000 1.005 124 F HN -0.239 nan 8.300 nan 0.000 0.508 125 N N -0.362 118.316 118.700 -0.036 0.000 2.472 125 N HA 0.546 5.286 4.740 0.000 0.000 0.289 125 N C -0.165 175.270 175.510 -0.124 0.000 1.156 125 N CA -0.442 52.573 53.050 -0.058 0.000 0.940 125 N CB 1.331 39.809 38.487 -0.015 0.000 1.200 125 N HN 0.170 nan 8.380 nan 0.000 0.511 126 T N -2.859 111.636 114.554 -0.098 0.000 2.949 126 T HA 0.438 4.788 4.350 0.000 0.000 0.287 126 T C -2.133 172.543 174.700 -0.040 0.000 1.034 126 T CA -1.971 60.078 62.100 -0.085 0.000 1.018 126 T CB 1.838 70.650 68.868 -0.093 0.000 1.135 126 T HN 0.109 nan 8.240 nan 0.000 0.532 127 P HA -0.050 nan 4.420 nan 0.000 0.218 127 P C 1.131 178.426 177.300 -0.008 0.000 1.148 127 P CA 0.945 64.046 63.100 0.002 0.000 0.822 127 P CB 0.042 31.769 31.700 0.045 0.000 0.784 128 E N -1.014 119.177 120.200 -0.016 0.000 2.118 128 E HA -0.141 4.209 4.350 0.000 0.000 0.195 128 E C 1.619 178.212 176.600 -0.012 0.000 0.992 128 E CA 1.881 58.271 56.400 -0.016 0.000 0.804 128 E CB -1.338 28.349 29.700 -0.022 0.000 0.741 128 E HN 0.357 nan 8.360 nan 0.000 0.458 129 T N -2.926 111.619 114.554 -0.014 0.000 3.186 129 T HA 0.452 4.802 4.350 0.000 0.000 0.257 129 T C 0.287 174.986 174.700 -0.003 0.000 1.029 129 T CA 0.185 62.283 62.100 -0.004 0.000 0.916 129 T CB 0.064 68.933 68.868 0.002 0.000 1.041 129 T HN 0.053 nan 8.240 nan 0.000 0.562 133 G N 1.305 110.074 108.800 -0.051 0.000 2.458 133 G HA2 -0.294 3.667 3.960 0.000 0.000 0.237 133 G HA3 -0.294 3.667 3.960 0.000 0.000 0.237 133 G C 0.123 174.968 174.900 -0.091 0.000 1.113 133 G CA 0.569 45.636 45.100 -0.056 0.000 0.655 133 G HN 1.160 nan 8.290 nan 0.000 0.513 134 N N 0.576 119.186 118.700 -0.151 0.000 2.353 134 N HA 0.301 5.041 4.740 0.000 0.000 0.248 134 N C 1.266 176.618 175.510 -0.262 0.000 1.240 134 N CA 0.455 53.343 53.050 -0.270 0.000 0.862 134 N CB 1.256 39.375 38.487 -0.613 0.000 1.086 134 N HN 0.133 nan 8.380 nan 0.000 0.453 135 V N 0.934 120.738 119.914 -0.184 0.000 2.719 135 V HA -0.165 3.955 4.120 0.000 0.000 0.252 135 V C 1.430 177.494 176.094 -0.050 0.000 1.065 135 V CA 1.410 63.654 62.300 -0.092 0.000 1.086 135 V CB -1.146 30.659 31.823 -0.031 0.000 0.700 135 V HN 0.856 nan 8.190 nan 0.000 0.467 136 H N 0.033 119.114 119.070 0.019 0.000 2.566 136 H HA 0.225 4.781 4.556 0.000 0.000 0.277 136 H C 1.403 176.761 175.328 0.049 0.000 1.046 136 H CA 0.596 56.668 56.048 0.041 0.000 1.172 136 H CB -0.612 29.181 29.762 0.052 0.000 1.319 136 H HN 0.275 nan 8.280 nan 0.000 0.621 137 G N -0.651 108.203 108.800 0.090 0.000 3.596 137 G HA2 0.234 4.195 3.960 0.000 0.000 0.274 137 G HA3 0.234 4.195 3.960 0.000 0.000 0.274 137 G C 0.690 175.603 174.900 0.022 0.000 1.007 137 G CA -0.153 45.002 45.100 0.091 0.000 0.825 137 G HN 0.444 nan 8.290 nan 0.000 0.508 138 M N 0.387 119.979 119.600 -0.013 0.000 2.296 138 M HA 0.195 4.675 4.480 0.000 0.000 0.291 138 M C -0.940 175.294 176.300 -0.110 0.000 1.013 138 M CA -0.380 54.875 55.300 -0.075 0.000 1.089 138 M CB 0.671 33.226 32.600 -0.075 0.000 1.677 138 M HN -0.094 nan 8.290 nan 0.000 0.584 139 P HA -0.241 nan 4.420 nan 0.000 0.219 139 P C 1.525 178.709 177.300 -0.194 0.000 1.161 139 P CA 1.496 64.548 63.100 -0.081 0.000 0.909 139 P CB 0.020 31.736 31.700 0.027 0.000 0.793 140 L N -0.887 120.079 121.223 -0.427 0.000 2.201 140 L HA -0.002 4.338 4.340 0.000 0.000 0.212 140 L C 2.554 179.283 176.870 -0.234 0.000 1.105 140 L CA 1.685 56.180 54.840 -0.574 0.000 0.775 140 L CB -1.273 40.152 42.059 -1.056 0.000 0.913 140 L HN -0.077 nan 8.230 nan 0.000 0.440 141 A N -1.323 121.279 122.820 -0.363 0.000 1.854 141 A HA -0.105 4.216 4.320 0.000 0.000 0.214 141 A C 2.235 179.597 177.584 -0.370 0.000 1.192 141 A CA 1.673 53.256 52.037 -0.757 0.000 0.611 141 A CB -1.032 17.492 19.000 -0.793 0.000 0.832 141 A HN 0.201 nan 8.150 nan 0.000 0.442 142 V N 0.401 120.190 119.914 -0.208 0.000 2.252 142 V HA -0.325 3.795 4.120 0.000 0.000 0.249 142 V C 2.619 178.695 176.094 -0.029 0.000 1.056 142 V CA 2.285 64.541 62.300 -0.074 0.000 1.022 142 V CB -0.847 30.976 31.823 0.001 0.000 0.641 142 V HN 0.587 nan 8.190 nan 0.000 0.445 143 L N -0.151 121.054 121.223 -0.031 0.000 2.079 143 L HA -0.175 4.165 4.340 0.000 0.000 0.210 143 L C 2.249 179.124 176.870 0.009 0.000 1.081 143 L CA 1.682 56.532 54.840 0.016 0.000 0.752 143 L CB -0.510 41.555 42.059 0.009 0.000 0.896 143 L HN 0.286 nan 8.230 nan 0.000 0.433 144 S N -0.575 115.112 115.700 -0.022 0.000 2.650 144 S HA 0.152 4.622 4.470 0.000 0.000 0.219 144 S C 1.441 176.027 174.600 -0.022 0.000 0.960 144 S CA 0.670 58.883 58.200 0.021 0.000 0.925 144 S CB 0.264 63.543 63.200 0.132 0.000 0.775 144 S HN 0.678 nan 8.310 nan 0.000 0.525 145 G N 1.012 109.786 108.800 -0.044 0.000 2.176 145 G HA2 -0.231 3.730 3.960 0.000 0.000 0.253 145 G HA3 -0.231 3.730 3.960 0.000 0.000 0.253 145 G C -0.103 174.751 174.900 -0.077 0.000 0.979 145 G CA -0.116 44.959 45.100 -0.041 0.000 0.641 145 G HN 0.468 nan 8.290 nan 0.000 0.530 146 L N 0.219 121.352 121.223 -0.150 0.000 2.307 146 L HA 0.784 5.125 4.340 0.000 0.000 0.284 146 L C 0.883 177.656 176.870 -0.162 0.000 1.023 146 L CA 0.005 54.741 54.840 -0.173 0.000 0.810 146 L CB 1.642 43.536 42.059 -0.275 0.000 1.231 146 L HN 0.888 nan 8.230 nan 0.000 0.423 147 G N 0.563 109.303 108.800 -0.099 0.000 2.325 147 G HA2 -0.043 3.917 3.960 0.000 0.000 0.285 147 G HA3 -0.043 3.917 3.960 0.000 0.000 0.285 147 G C -1.365 173.536 174.900 0.002 0.000 1.303 147 G CA -0.972 44.097 45.100 -0.052 0.000 0.970 147 G HN 0.651 nan 8.290 nan 0.000 0.490 148 H N 1.489 120.538 119.070 -0.036 0.000 3.064 148 H HA 0.296 4.852 4.556 0.000 0.000 0.329 148 H C -1.071 174.252 175.328 -0.009 0.000 1.020 148 H CA 0.608 56.645 56.048 -0.017 0.000 1.402 148 H CB 1.374 31.135 29.762 -0.002 0.000 1.379 148 H HN 0.176 nan 8.280 nan 0.000 0.594 149 P HA -0.106 nan 4.420 nan 0.000 0.222 149 P C 1.388 178.736 177.300 0.080 0.000 1.153 149 P CA 0.740 63.832 63.100 -0.013 0.000 0.798 149 P CB 0.371 32.022 31.700 -0.082 0.000 0.796 150 R N -0.403 120.243 120.500 0.243 0.000 2.127 150 R HA -0.050 4.290 4.340 0.000 0.000 0.238 150 R C 2.074 178.448 176.300 0.123 0.000 1.134 150 R CA 1.136 57.352 56.100 0.193 0.000 0.975 150 R CB -1.238 29.215 30.300 0.256 0.000 0.865 150 R HN 0.331 nan 8.270 nan 0.000 0.447 151 L N -0.824 120.510 121.223 0.186 0.000 2.262 151 L HA -0.021 4.320 4.340 0.000 0.000 0.197 151 L C 2.481 179.468 176.870 0.196 0.000 1.073 151 L CA 1.192 56.198 54.840 0.277 0.000 0.800 151 L CB -0.995 41.249 42.059 0.309 0.000 0.987 151 L HN 0.159 nan 8.230 nan 0.000 0.470 152 T N -1.475 113.155 114.554 0.127 0.000 2.653 152 T HA -0.327 4.023 4.350 0.000 0.000 0.268 152 T C 1.566 176.254 174.700 -0.019 0.000 1.035 152 T CA 1.707 63.845 62.100 0.063 0.000 1.154 152 T CB -0.712 68.166 68.868 0.017 0.000 0.862 152 T HN 0.512 nan 8.240 nan 0.000 0.441 153 E N 1.959 122.129 120.200 -0.050 0.000 2.448 153 E HA -0.145 4.206 4.350 0.000 0.000 0.203 153 E C 1.639 178.126 176.600 -0.188 0.000 1.046 153 E CA 1.532 57.876 56.400 -0.094 0.000 0.871 153 E CB -0.265 29.393 29.700 -0.069 0.000 0.790 153 E HN 0.725 nan 8.360 nan 0.000 0.545 154 V N -4.428 115.274 119.914 -0.353 0.000 3.392 154 V HA 0.240 4.361 4.120 0.000 0.000 0.285 154 V C 0.857 176.554 176.094 -0.663 0.000 1.582 154 V CA -0.362 61.596 62.300 -0.570 0.000 1.034 154 V CB -0.358 30.974 31.823 -0.820 0.000 0.846 154 V HN 0.100 nan 8.190 nan 0.000 0.431 155 F N 0.991 120.939 119.950 -0.003 0.000 2.746 155 F HA 0.489 5.016 4.527 0.000 0.000 0.313 155 F C 1.264 177.056 175.800 -0.013 0.000 1.095 155 F CA -1.057 56.940 58.000 -0.006 0.000 1.224 155 F CB 0.099 39.098 39.000 -0.001 0.000 1.060 155 F HN 0.022 nan 8.300 nan 0.000 0.584 156 R N 1.815 122.377 120.500 0.104 0.000 2.480 156 R HA 0.312 4.652 4.340 0.000 0.000 0.303 156 R C 0.283 176.613 176.300 0.049 0.000 0.985 156 R CA 0.940 57.075 56.100 0.058 0.000 1.051 156 R CB 0.301 30.611 30.300 0.017 0.000 0.935 156 R HN 0.207 nan 8.270 nan 0.000 0.410 157 A N 4.180 127.030 122.820 0.050 0.000 2.631 157 A HA 0.227 4.548 4.320 0.000 0.000 0.258 157 A C -0.926 176.679 177.584 0.036 0.000 1.027 157 A CA -0.149 51.911 52.037 0.039 0.000 1.015 157 A CB 0.769 19.794 19.000 0.043 0.000 1.206 157 A HN 0.486 nan 8.150 nan 0.000 0.556 158 V N 0.239 120.177 119.914 0.041 0.000 2.932 158 V HA 0.499 4.619 4.120 0.000 0.000 0.307 158 V C -2.060 174.064 176.094 0.050 0.000 1.147 158 V CA -0.636 61.693 62.300 0.049 0.000 0.951 158 V CB 2.050 33.913 31.823 0.066 0.000 1.031 158 V HN 0.313 nan 8.190 nan 0.000 0.426 159 D N 6.441 126.870 120.400 0.048 0.000 2.277 159 D HA 0.398 5.038 4.640 0.000 0.000 0.249 159 D C -1.751 174.588 176.300 0.065 0.000 1.134 159 D CA -1.811 52.218 54.000 0.048 0.000 0.863 159 D CB 2.325 43.146 40.800 0.034 0.000 1.143 159 D HN 0.285 nan 8.370 nan 0.000 0.458 160 P HA -0.205 nan 4.420 nan 0.000 0.218 160 P C 0.646 177.995 177.300 0.082 0.000 1.154 160 P CA 1.750 64.904 63.100 0.090 0.000 0.872 160 P CB 0.254 32.016 31.700 0.103 0.000 0.790 161 K N -1.098 119.348 120.400 0.077 0.000 2.519 161 K HA -0.088 4.232 4.320 0.000 0.000 0.196 161 K C 0.667 177.332 176.600 0.108 0.000 1.041 161 K CA 1.045 57.391 56.287 0.099 0.000 0.954 161 K CB -0.657 31.869 32.500 0.043 0.000 0.774 161 K HN 0.212 nan 8.250 nan 0.000 0.480 162 D N -0.503 119.954 120.400 0.096 0.000 2.462 162 D HA 0.083 4.723 4.640 0.000 0.000 0.221 162 D C -0.718 175.667 176.300 0.143 0.000 1.173 162 D CA 0.024 54.084 54.000 0.099 0.000 0.831 162 D CB 0.616 41.455 40.800 0.064 0.000 1.001 162 D HN -0.194 nan 8.370 nan 0.000 0.499 163 V N 0.660 120.662 119.914 0.147 0.000 2.581 163 V HA 0.526 4.647 4.120 0.000 0.000 0.303 163 V C -0.073 176.094 176.094 0.122 0.000 1.041 163 V CA -0.748 61.627 62.300 0.126 0.000 0.907 163 V CB 2.746 34.600 31.823 0.052 0.000 0.994 163 V HN -0.244 nan 8.190 nan 0.000 0.442 164 V N 5.520 125.523 119.914 0.148 0.000 2.623 164 V HA 0.469 4.589 4.120 0.000 0.000 0.304 164 V C -0.683 175.521 176.094 0.183 0.000 1.054 164 V CA -0.451 61.935 62.300 0.143 0.000 0.882 164 V CB 1.899 33.838 31.823 0.193 0.000 1.002 164 V HN 0.640 nan 8.190 nan 0.000 0.424 165 L N 5.312 126.620 121.223 0.141 0.000 2.282 165 L HA 0.708 5.048 4.340 0.000 0.000 0.288 165 L C -0.684 176.316 176.870 0.216 0.000 1.033 165 L CA -0.566 54.384 54.840 0.183 0.000 0.807 165 L CB 1.808 43.906 42.059 0.065 0.000 1.209 165 L HN 0.394 nan 8.230 nan 0.000 0.423 166 V N 2.028 122.065 119.914 0.205 0.000 2.531 166 V HA 0.663 4.783 4.120 0.000 0.000 0.301 166 V C 0.656 176.816 176.094 0.111 0.000 1.034 166 V CA -0.039 62.355 62.300 0.156 0.000 0.865 166 V CB 1.359 33.229 31.823 0.078 0.000 0.995 166 V HN 0.949 nan 8.190 nan 0.000 0.424 167 G N 3.631 112.488 108.800 0.095 0.000 2.144 167 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 167 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 167 G C 0.009 174.935 174.900 0.044 0.000 0.988 167 G CA -0.066 45.067 45.100 0.055 0.000 0.659 167 G HN 0.757 nan 8.290 nan 0.000 0.522 168 V N 1.093 121.045 119.914 0.064 0.000 2.655 168 V HA 0.510 4.630 4.120 0.000 0.000 0.300 168 V C 1.342 177.442 176.094 0.009 0.000 1.044 168 V CA 1.181 63.503 62.300 0.036 0.000 1.095 168 V CB 1.207 33.060 31.823 0.050 0.000 0.952 168 V HN 0.715 nan 8.190 nan 0.000 0.485 169 R N 1.584 122.064 120.500 -0.032 0.000 2.486 169 R HA 0.377 4.717 4.340 0.000 0.000 0.388 169 R C -0.316 175.967 176.300 -0.029 0.000 0.810 169 R CA -0.219 55.868 56.100 -0.022 0.000 1.057 169 R CB 0.460 30.744 30.300 -0.026 0.000 1.670 169 R HN 0.503 nan 8.270 nan 0.000 0.551 170 S N 1.191 116.878 115.700 -0.022 0.000 2.652 170 S HA 0.565 5.035 4.470 0.000 0.000 0.273 170 S C -1.516 173.146 174.600 0.103 0.000 1.172 170 S CA -0.552 57.675 58.200 0.044 0.000 1.009 170 S CB 0.968 64.201 63.200 0.055 0.000 1.094 170 S HN 0.307 nan 8.310 nan 0.000 0.471 171 L N 3.823 125.098 121.223 0.086 0.000 2.470 171 L HA 0.538 4.878 4.340 0.000 0.000 0.268 171 L C -0.750 176.162 176.870 0.071 0.000 0.964 171 L CA -0.974 53.916 54.840 0.082 0.000 0.839 171 L CB 2.091 44.177 42.059 0.044 0.000 1.276 171 L HN 0.528 nan 8.230 nan 0.000 0.403 172 D N 3.122 123.568 120.400 0.077 0.000 2.344 172 D HA 0.154 4.794 4.640 0.000 0.000 0.244 172 D C -1.624 174.703 176.300 0.045 0.000 1.134 172 D CA -1.286 52.749 54.000 0.058 0.000 0.930 172 D CB 1.601 42.434 40.800 0.055 0.000 1.175 172 D HN 0.230 nan 8.370 nan 0.000 0.437 173 P HA -0.133 nan 4.420 nan 0.000 0.214 173 P C 1.442 178.759 177.300 0.028 0.000 1.163 173 P CA 1.487 64.601 63.100 0.024 0.000 0.889 173 P CB 0.114 31.825 31.700 0.018 0.000 0.790 174 G N -0.190 108.628 108.800 0.029 0.000 2.469 174 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 174 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 174 G C 1.489 176.422 174.900 0.055 0.000 1.150 174 G CA 0.883 46.002 45.100 0.032 0.000 0.763 174 G HN 0.294 nan 8.290 nan 0.000 0.561 175 E N 0.431 120.674 120.200 0.073 0.000 2.038 175 E HA -0.136 4.214 4.350 0.000 0.000 0.195 175 E C 2.601 179.255 176.600 0.089 0.000 1.000 175 E CA 1.164 57.638 56.400 0.123 0.000 0.803 175 E CB -0.129 29.644 29.700 0.121 0.000 0.750 175 E HN 0.404 nan 8.360 nan 0.000 0.448 176 K N 0.482 120.907 120.400 0.043 0.000 2.074 176 K HA -0.235 4.085 4.320 0.000 0.000 0.209 176 K C 2.277 178.883 176.600 0.011 0.000 1.048 176 K CA 1.361 57.653 56.287 0.008 0.000 0.926 176 K CB -0.210 32.290 32.500 -0.000 0.000 0.713 176 K HN -0.009 nan 8.250 nan 0.000 0.444 177 R N 1.218 121.735 120.500 0.028 0.000 2.062 177 R HA -0.039 4.301 4.340 0.000 0.000 0.231 177 R C 2.338 178.668 176.300 0.050 0.000 1.136 177 R CA 0.976 57.092 56.100 0.026 0.000 0.948 177 R CB -0.243 30.070 30.300 0.023 0.000 0.845 177 R HN 0.093 nan 8.270 nan 0.000 0.430 178 L N 0.626 121.905 121.223 0.093 0.000 2.043 178 L HA -0.243 4.097 4.340 0.000 0.000 0.212 178 L C 2.409 179.417 176.870 0.229 0.000 1.075 178 L CA 1.322 56.261 54.840 0.165 0.000 0.752 178 L CB -0.403 41.785 42.059 0.215 0.000 0.891 178 L HN 0.319 nan 8.230 nan 0.000 0.432 179 L N -0.715 120.585 121.223 0.128 0.000 2.093 179 L HA -0.209 4.131 4.340 0.000 0.000 0.208 179 L C 2.664 179.492 176.870 -0.069 0.000 1.085 179 L CA 1.245 56.024 54.840 -0.101 0.000 0.755 179 L CB -0.340 41.568 42.059 -0.251 0.000 0.904 179 L HN 0.208 nan 8.230 nan 0.000 0.435 180 K N -0.042 120.340 120.400 -0.029 0.000 2.001 180 K HA -0.179 4.141 4.320 0.000 0.000 0.208 180 K C 1.995 178.591 176.600 -0.006 0.000 1.048 180 K CA 1.441 57.710 56.287 -0.031 0.000 0.932 180 K CB -0.067 32.418 32.500 -0.024 0.000 0.715 180 K HN 0.279 nan 8.250 nan 0.000 0.437 181 E N 0.514 120.726 120.200 0.019 0.000 2.033 181 E HA -0.249 4.101 4.350 0.000 0.000 0.199 181 E C 2.013 178.636 176.600 0.037 0.000 1.011 181 E CA 1.482 57.898 56.400 0.027 0.000 0.815 181 E CB -0.216 29.507 29.700 0.038 0.000 0.755 181 E HN 0.341 nan 8.360 nan 0.000 0.451 182 A N 0.072 122.936 122.820 0.073 0.000 1.958 182 A HA -0.149 4.171 4.320 0.000 0.000 0.221 182 A C 2.029 179.637 177.584 0.040 0.000 1.178 182 A CA 1.933 54.027 52.037 0.095 0.000 0.642 182 A CB -0.976 18.154 19.000 0.217 0.000 0.816 182 A HN 0.512 nan 8.150 nan 0.000 0.453 183 G N -2.507 106.291 108.800 -0.004 0.000 2.132 183 G HA2 -0.133 3.827 3.960 0.000 0.000 0.228 183 G HA3 -0.133 3.827 3.960 0.000 0.000 0.228 183 G C 0.072 174.947 174.900 -0.040 0.000 1.000 183 G CA 0.024 45.114 45.100 -0.017 0.000 0.693 183 G HN 1.059 nan 8.290 nan 0.000 0.515 184 V N 0.515 120.364 119.914 -0.109 0.000 2.572 184 V HA 0.401 4.521 4.120 0.000 0.000 0.291 184 V C 1.230 177.208 176.094 -0.194 0.000 1.039 184 V CA -0.273 61.931 62.300 -0.161 0.000 1.055 184 V CB 1.165 32.779 31.823 -0.350 0.000 0.969 184 V HN 0.513 nan 8.190 nan 0.000 0.482 185 R N 4.410 124.790 120.500 -0.200 0.000 2.351 185 R HA 0.317 4.657 4.340 0.000 0.000 0.318 185 R C -0.991 175.131 176.300 -0.297 0.000 1.055 185 R CA 0.203 56.104 56.100 -0.332 0.000 0.968 185 R CB 0.232 30.214 30.300 -0.530 0.000 0.974 185 R HN 0.526 nan 8.270 nan 0.000 0.439 186 V N 7.213 126.907 119.914 -0.368 0.000 2.378 186 V HA 0.291 4.411 4.120 0.000 0.000 0.288 186 V C -0.973 174.900 176.094 -0.369 0.000 1.016 186 V CA -0.610 61.528 62.300 -0.271 0.000 0.840 186 V CB 1.176 32.881 31.823 -0.195 0.000 0.994 186 V HN 0.650 nan 8.190 nan 0.000 0.431 187 Y N 3.346 123.627 120.300 -0.032 0.000 2.854 187 Y HA 0.382 4.932 4.550 0.000 0.000 0.330 187 Y C 1.190 177.097 175.900 0.012 0.000 1.037 187 Y CA -0.603 57.493 58.100 -0.006 0.000 1.263 187 Y CB 1.207 39.664 38.460 -0.005 0.000 1.120 187 Y HN 0.755 nan 8.280 nan 0.000 0.532 188 T N -1.375 113.243 114.554 0.107 0.000 2.754 188 T HA 0.076 4.426 4.350 0.000 0.000 0.286 188 T C 1.557 176.327 174.700 0.116 0.000 0.997 188 T CA -0.774 61.380 62.100 0.090 0.000 0.982 188 T CB 0.743 69.646 68.868 0.057 0.000 1.027 188 T HN 0.451 nan 8.240 nan 0.000 0.529 189 M N 0.547 120.198 119.600 0.085 0.000 2.267 189 M HA -0.121 4.359 4.480 0.000 0.000 0.263 189 M C 2.141 178.490 176.300 0.082 0.000 1.063 189 M CA 1.607 56.948 55.300 0.069 0.000 1.090 189 M CB -1.809 30.817 32.600 0.043 0.000 1.392 189 M HN 0.862 nan 8.290 nan 0.000 0.422 190 H N 0.551 119.636 119.070 0.024 0.000 2.353 190 H HA -0.147 4.410 4.556 0.000 0.000 0.300 190 H C 1.405 176.754 175.328 0.036 0.000 1.090 190 H CA 2.004 58.065 56.048 0.022 0.000 1.327 190 H CB 0.179 29.948 29.762 0.012 0.000 1.383 190 H HN 0.309 nan 8.280 nan 0.000 0.508 191 E N -0.071 120.261 120.200 0.220 0.000 2.152 191 E HA -0.059 4.291 4.350 0.000 0.000 0.192 191 E C 2.589 179.248 176.600 0.098 0.000 0.983 191 E CA 0.814 57.328 56.400 0.190 0.000 0.818 191 E CB 0.036 29.898 29.700 0.269 0.000 0.758 191 E HN 0.239 nan 8.360 nan 0.000 0.467 192 V N 1.376 121.336 119.914 0.076 0.000 2.307 192 V HA -0.234 3.886 4.120 0.000 0.000 0.245 192 V C 1.471 177.556 176.094 -0.015 0.000 1.045 192 V CA 1.927 64.244 62.300 0.029 0.000 1.024 192 V CB -0.402 31.437 31.823 0.027 0.000 0.651 192 V HN 0.222 nan 8.190 nan 0.000 0.449 193 D N -0.463 119.908 120.400 -0.048 0.000 2.218 193 D HA -0.110 4.530 4.640 0.000 0.000 0.204 193 D C 2.391 178.629 176.300 -0.103 0.000 0.976 193 D CA 1.008 54.959 54.000 -0.080 0.000 0.853 193 D CB -0.143 40.592 40.800 -0.109 0.000 0.939 193 D HN 0.335 nan 8.370 nan 0.000 0.481 194 R N -0.484 119.936 120.500 -0.133 0.000 2.100 194 R HA 0.159 4.499 4.340 0.000 0.000 0.220 194 R C 1.961 178.243 176.300 -0.031 0.000 1.091 194 R CA 0.434 56.472 56.100 -0.103 0.000 0.986 194 R CB 0.239 30.465 30.300 -0.123 0.000 0.888 194 R HN 0.176 nan 8.270 nan 0.000 0.444 195 L N -1.332 119.888 121.223 -0.005 0.000 2.575 195 L HA 0.328 4.668 4.340 0.000 0.000 0.228 195 L C 0.615 177.480 176.870 -0.008 0.000 1.075 195 L CA 0.145 54.990 54.840 0.009 0.000 0.867 195 L CB 0.646 42.729 42.059 0.040 0.000 1.097 195 L HN 0.254 nan 8.230 nan 0.000 0.485 196 G N -0.197 108.593 108.800 -0.016 0.000 2.721 196 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 196 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 196 G C 0.279 175.156 174.900 -0.038 0.000 1.236 196 G CA -0.443 44.644 45.100 -0.021 0.000 0.786 196 G HN -0.214 nan 8.290 nan 0.000 0.616 197 V N 2.013 121.904 119.914 -0.037 0.000 2.287 197 V HA -0.142 3.978 4.120 0.000 0.000 0.248 197 V C 3.435 179.491 176.094 -0.063 0.000 1.053 197 V CA 3.465 65.732 62.300 -0.056 0.000 1.027 197 V CB -1.432 30.369 31.823 -0.037 0.000 0.646 197 V HN 1.871 nan 8.190 nan 0.000 0.447 198 A N 0.207 123.004 122.820 -0.038 0.000 1.869 198 A HA -0.351 3.970 4.320 0.000 0.000 0.218 198 A C 2.416 179.973 177.584 -0.045 0.000 1.203 198 A CA 2.656 54.674 52.037 -0.032 0.000 0.638 198 A CB -0.700 18.290 19.000 -0.015 0.000 0.831 198 A HN 0.503 nan 8.150 nan 0.000 0.450 199 R N -0.578 119.897 120.500 -0.042 0.000 2.096 199 R HA -0.051 4.289 4.340 0.000 0.000 0.235 199 R C 1.981 178.226 176.300 -0.092 0.000 1.127 199 R CA 1.646 57.721 56.100 -0.042 0.000 0.968 199 R CB -0.385 29.904 30.300 -0.019 0.000 0.861 199 R HN 0.578 nan 8.270 nan 0.000 0.440 200 I N 0.485 120.960 120.570 -0.159 0.000 2.394 200 I HA -0.209 3.962 4.170 0.000 0.000 0.251 200 I C 2.367 178.292 176.117 -0.321 0.000 1.136 200 I CA 1.094 62.170 61.300 -0.373 0.000 1.425 200 I CB -0.185 37.550 38.000 -0.441 0.000 1.079 200 I HN 0.307 nan 8.210 nan 0.000 0.425 201 A N 0.481 123.198 122.820 -0.172 0.000 1.897 201 A HA -0.138 4.182 4.320 0.000 0.000 0.215 201 A C 2.209 179.753 177.584 -0.067 0.000 1.181 201 A CA 1.084 53.055 52.037 -0.110 0.000 0.620 201 A CB -0.347 18.613 19.000 -0.067 0.000 0.821 201 A HN 0.371 nan 8.150 nan 0.000 0.443 202 E N 0.375 120.544 120.200 -0.051 0.000 2.077 202 E HA -0.238 4.113 4.350 0.000 0.000 0.193 202 E C 1.789 178.386 176.600 -0.005 0.000 0.989 202 E CA 1.463 57.853 56.400 -0.017 0.000 0.800 202 E CB -0.407 29.289 29.700 -0.008 0.000 0.746 202 E HN 0.766 nan 8.360 nan 0.000 0.452 203 E N 0.692 120.874 120.200 -0.030 0.000 2.110 203 E HA -0.120 4.230 4.350 0.000 0.000 0.193 203 E C 2.283 178.915 176.600 0.053 0.000 0.988 203 E CA 0.864 57.275 56.400 0.018 0.000 0.804 203 E CB 0.087 29.794 29.700 0.012 0.000 0.745 203 E HN 0.015 nan 8.360 nan 0.000 0.458 204 V N 1.445 121.339 119.914 -0.033 0.000 2.261 204 V HA -0.272 3.848 4.120 0.000 0.000 0.246 204 V C 2.344 178.498 176.094 0.100 0.000 1.047 204 V CA 1.476 63.804 62.300 0.048 0.000 1.015 204 V CB -0.472 31.342 31.823 -0.014 0.000 0.642 204 V HN 0.311 nan 8.190 nan 0.000 0.446 205 L N 0.019 121.274 121.223 0.053 0.000 2.051 205 L HA -0.303 4.038 4.340 0.000 0.000 0.214 205 L C 2.604 179.517 176.870 0.070 0.000 1.076 205 L CA 2.473 57.347 54.840 0.056 0.000 0.758 205 L CB -0.658 41.420 42.059 0.032 0.000 0.890 205 L HN 0.395 nan 8.230 nan 0.000 0.433 206 K N -0.511 119.936 120.400 0.078 0.000 2.057 206 K HA -0.245 4.075 4.320 0.000 0.000 0.206 206 K C 2.149 178.811 176.600 0.102 0.000 1.050 206 K CA 1.451 57.785 56.287 0.079 0.000 0.935 206 K CB -0.257 32.289 32.500 0.078 0.000 0.715 206 K HN 0.216 nan 8.250 nan 0.000 0.439 207 H N -0.053 119.054 119.070 0.061 0.000 2.422 207 H HA 0.016 4.572 4.556 0.000 0.000 0.298 207 H C 0.642 176.005 175.328 0.059 0.000 1.098 207 H CA 1.872 57.961 56.048 0.069 0.000 1.315 207 H CB 0.147 29.970 29.762 0.102 0.000 1.382 207 H HN 0.193 nan 8.280 nan 0.000 0.523 208 L N 2.049 123.332 121.223 0.100 0.000 2.928 208 L HA 0.152 4.492 4.340 0.000 0.000 0.246 208 L C 0.215 177.104 176.870 0.032 0.000 1.239 208 L CA -0.427 54.443 54.840 0.050 0.000 1.035 208 L CB -0.136 41.987 42.059 0.107 0.000 1.360 208 L HN 0.353 nan 8.230 nan 0.000 0.529 209 Q N 0.286 120.097 119.800 0.018 0.000 2.369 209 Q HA 0.188 4.528 4.340 0.000 0.000 0.295 209 Q C 1.098 177.106 176.000 0.012 0.000 1.075 209 Q CA 0.815 56.629 55.803 0.018 0.000 0.941 209 Q CB 0.629 29.375 28.738 0.013 0.000 1.260 209 Q HN 0.344 nan 8.270 nan 0.000 0.417 210 G N 2.213 111.025 108.800 0.019 0.000 2.458 210 G HA2 -0.309 3.651 3.960 0.000 0.000 0.237 210 G HA3 -0.309 3.651 3.960 0.000 0.000 0.237 210 G C 0.157 175.071 174.900 0.023 0.000 1.113 210 G CA 0.303 45.414 45.100 0.018 0.000 0.655 210 G HN 0.630 nan 8.290 nan 0.000 0.513 211 L N 1.500 122.739 121.223 0.027 0.000 2.418 211 L HA 0.540 4.880 4.340 0.000 0.000 0.265 211 L C -2.027 174.871 176.870 0.045 0.000 1.143 211 L CA -2.163 52.697 54.840 0.034 0.000 0.809 211 L CB 0.417 42.497 42.059 0.035 0.000 1.124 211 L HN -0.058 nan 8.230 nan 0.000 0.456 212 P HA 0.243 nan 4.420 nan 0.000 0.272 212 P C -0.972 176.369 177.300 0.068 0.000 1.223 212 P CA -0.032 63.100 63.100 0.053 0.000 0.784 212 P CB 0.643 32.368 31.700 0.043 0.000 0.923 213 L N 2.346 123.615 121.223 0.076 0.000 2.346 213 L HA 0.448 4.788 4.340 0.000 0.000 0.276 213 L C 0.245 177.177 176.870 0.103 0.000 1.006 213 L CA -0.655 54.242 54.840 0.095 0.000 0.817 213 L CB 1.478 43.588 42.059 0.084 0.000 1.272 213 L HN 0.482 nan 8.230 nan 0.000 0.421 214 H N 3.281 122.372 119.070 0.035 0.000 2.539 214 H HA 0.471 5.027 4.556 0.000 0.000 0.332 214 H C -1.642 173.712 175.328 0.044 0.000 1.031 214 H CA -0.523 55.531 56.048 0.011 0.000 1.206 214 H CB 1.925 31.699 29.762 0.019 0.000 1.446 214 H HN 0.293 nan 8.280 nan 0.000 0.496 215 V N 4.610 124.262 119.914 -0.437 0.000 2.370 215 V HA 0.144 4.264 4.120 0.000 0.000 0.279 215 V C 0.373 176.212 176.094 -0.426 0.000 1.029 215 V CA -0.453 61.683 62.300 -0.274 0.000 0.870 215 V CB 1.393 33.130 31.823 -0.144 0.000 0.984 215 V HN 0.747 nan 8.190 nan 0.000 0.451 216 S N 4.919 120.468 115.700 -0.251 0.000 2.433 216 S HA 0.658 5.129 4.470 0.000 0.000 0.310 216 S C -0.861 173.501 174.600 -0.397 0.000 1.097 216 S CA -0.472 57.526 58.200 -0.336 0.000 1.103 216 S CB 0.809 63.703 63.200 -0.510 0.000 0.992 216 S HN 0.525 nan 8.310 nan 0.000 0.469 217 L N 5.396 126.400 121.223 -0.365 0.000 2.318 217 L HA 0.514 4.854 4.340 0.000 0.000 0.277 217 L C -0.620 176.019 176.870 -0.386 0.000 1.008 217 L CA -0.280 54.367 54.840 -0.322 0.000 0.846 217 L CB 1.361 43.284 42.059 -0.228 0.000 1.220 217 L HN 0.568 nan 8.230 nan 0.000 0.423 218 D N 3.472 123.638 120.400 -0.390 0.000 2.295 218 D HA 0.262 4.902 4.640 0.000 0.000 0.248 218 D C 0.849 177.040 176.300 -0.182 0.000 1.154 218 D CA 0.249 54.036 54.000 -0.355 0.000 0.857 218 D CB 2.199 42.860 40.800 -0.233 0.000 1.117 218 D HN 0.715 nan 8.370 nan 0.000 0.468 219 A N 3.849 126.575 122.820 -0.157 0.000 2.070 219 A HA -0.224 4.096 4.320 0.000 0.000 0.220 219 A C 1.537 179.087 177.584 -0.056 0.000 1.159 219 A CA 1.601 53.578 52.037 -0.099 0.000 0.656 219 A CB -0.269 18.681 19.000 -0.084 0.000 0.800 219 A HN 0.690 nan 8.150 nan 0.000 0.453 220 D N -0.629 119.753 120.400 -0.030 0.000 2.351 220 D HA -0.088 4.552 4.640 0.000 0.000 0.216 220 D C 1.267 177.561 176.300 -0.011 0.000 0.968 220 D CA 0.981 54.990 54.000 0.015 0.000 0.899 220 D CB -0.630 40.236 40.800 0.111 0.000 0.907 220 D HN 0.178 nan 8.370 nan 0.000 0.514 221 V N -0.375 119.522 119.914 -0.029 0.000 3.141 221 V HA 0.101 4.221 4.120 0.000 0.000 0.265 221 V C 0.793 176.869 176.094 -0.030 0.000 1.126 221 V CA 0.408 62.688 62.300 -0.033 0.000 1.141 221 V CB -0.354 31.448 31.823 -0.036 0.000 0.743 221 V HN 0.177 nan 8.190 nan 0.000 0.492 222 L N 0.756 121.962 121.223 -0.029 0.000 2.334 222 L HA 0.354 4.694 4.340 0.000 0.000 0.277 222 L C 0.139 177.008 176.870 -0.001 0.000 1.075 222 L CA -0.382 54.449 54.840 -0.015 0.000 0.804 222 L CB 1.081 43.130 42.059 -0.016 0.000 1.174 222 L HN 0.100 nan 8.230 nan 0.000 0.438 223 D N 3.460 123.867 120.400 0.011 0.000 2.533 223 D HA -0.019 4.621 4.640 0.000 0.000 0.236 223 D C -1.592 174.716 176.300 0.014 0.000 1.137 223 D CA -0.693 53.315 54.000 0.013 0.000 0.867 223 D CB 1.095 41.906 40.800 0.019 0.000 1.170 223 D HN 0.236 nan 8.370 nan 0.000 0.474 224 P HA -0.198 nan 4.420 nan 0.000 0.217 224 P C 1.316 178.624 177.300 0.013 0.000 1.148 224 P CA 1.062 64.170 63.100 0.013 0.000 0.834 224 P CB 0.087 31.796 31.700 0.016 0.000 0.783 225 T N -1.680 112.882 114.554 0.013 0.000 2.778 225 T HA -0.154 4.196 4.350 0.000 0.000 0.269 225 T C 1.493 176.201 174.700 0.014 0.000 1.050 225 T CA 1.125 63.231 62.100 0.011 0.000 1.137 225 T CB -0.489 68.385 68.868 0.011 0.000 0.860 225 T HN -0.061 nan 8.240 nan 0.000 0.468 226 L N -0.508 120.729 121.223 0.022 0.000 2.362 226 L HA 0.551 4.892 4.340 0.000 0.000 0.204 226 L C 1.215 178.106 176.870 0.035 0.000 1.060 226 L CA 0.646 55.507 54.840 0.035 0.000 0.827 226 L CB 0.002 42.097 42.059 0.059 0.000 1.027 226 L HN 0.131 nan 8.230 nan 0.000 0.474 227 A N 0.094 122.928 122.820 0.024 0.000 3.047 227 A HA 0.454 4.775 4.320 0.000 0.000 0.337 227 A C -1.874 175.714 177.584 0.008 0.000 1.143 227 A CA -1.061 50.984 52.037 0.014 0.000 0.905 227 A CB -0.369 18.633 19.000 0.003 0.000 1.088 227 A HN 0.143 nan 8.150 nan 0.000 0.488 228 P HA -0.136 nan 4.420 nan 0.000 0.215 228 P C 1.148 178.449 177.300 0.001 0.000 1.157 228 P CA 1.581 64.684 63.100 0.006 0.000 0.868 228 P CB -0.037 31.666 31.700 0.005 0.000 0.788 229 G N 1.378 110.175 108.800 -0.004 0.000 2.924 229 G HA2 0.359 4.319 3.960 0.000 0.000 0.273 229 G HA3 0.359 4.319 3.960 0.000 0.000 0.273 229 G C 0.096 174.986 174.900 -0.017 0.000 0.734 229 G CA -0.090 45.004 45.100 -0.011 0.000 2.065 229 G HN 0.354 nan 8.290 nan 0.000 0.580 230 V N -0.508 119.399 119.914 -0.012 0.000 2.962 230 V HA 0.863 4.983 4.120 0.000 0.000 0.313 230 V C 1.203 177.290 176.094 -0.012 0.000 1.099 230 V CA 0.025 62.314 62.300 -0.018 0.000 0.971 230 V CB 1.484 33.303 31.823 -0.006 0.000 1.028 230 V HN 0.406 nan 8.190 nan 0.000 0.430 231 G N 2.512 111.293 108.800 -0.031 0.000 2.586 231 G HA2 -0.089 3.871 3.960 0.000 0.000 0.218 231 G HA3 -0.089 3.871 3.960 0.000 0.000 0.218 231 G C 0.649 175.551 174.900 0.003 0.000 1.216 231 G CA 1.558 46.634 45.100 -0.040 0.000 0.786 231 G HN 1.131 nan 8.290 nan 0.000 0.583 232 T N 2.842 117.424 114.554 0.047 0.000 3.241 232 T HA 0.441 4.791 4.350 0.000 0.000 0.387 232 T C -2.694 172.097 174.700 0.151 0.000 1.451 232 T CA -0.885 61.276 62.100 0.101 0.000 1.363 232 T CB 2.186 71.116 68.868 0.102 0.000 1.074 232 T HN 0.132 nan 8.240 nan 0.000 0.598 233 P HA 0.147 nan 4.420 nan 0.000 0.264 233 P C -0.767 176.576 177.300 0.072 0.000 1.183 233 P CA -0.110 63.029 63.100 0.066 0.000 0.763 233 P CB 0.807 32.532 31.700 0.041 0.000 0.807 234 V N 5.233 125.171 119.914 0.040 0.000 2.462 234 V HA 0.239 4.359 4.120 0.000 0.000 0.288 234 V C -1.902 174.194 176.094 0.004 0.000 1.020 234 V CA -1.893 60.418 62.300 0.018 0.000 0.857 234 V CB 1.552 33.349 31.823 -0.042 0.000 1.013 234 V HN 0.562 nan 8.190 nan 0.000 0.431 235 P HA 0.076 nan 4.420 nan 0.000 0.269 235 P C 0.673 177.976 177.300 0.006 0.000 1.205 235 P CA 1.203 64.309 63.100 0.011 0.000 0.780 235 P CB 0.632 32.341 31.700 0.015 0.000 0.858 236 G N 0.301 109.106 108.800 0.008 0.000 2.368 236 G HA2 0.013 3.974 3.960 0.000 0.000 0.290 236 G HA3 0.013 3.974 3.960 0.000 0.000 0.290 236 G C 0.329 175.232 174.900 0.005 0.000 1.098 236 G CA -0.211 44.894 45.100 0.008 0.000 1.073 236 G HN 0.878 nan 8.290 nan 0.000 0.511 237 G N -1.146 107.656 108.800 0.004 0.000 2.938 237 G HA2 0.776 4.736 3.960 0.000 0.000 0.258 237 G HA3 0.776 4.736 3.960 0.000 0.000 0.258 237 G C 0.529 175.434 174.900 0.007 0.000 1.356 237 G CA -1.217 43.883 45.100 0.001 0.000 1.052 237 G HN 0.678 nan 8.290 nan 0.000 0.550 238 L N 0.480 121.705 121.223 0.003 0.000 2.482 238 L HA 0.264 4.604 4.340 0.000 0.000 0.273 238 L C 1.227 178.114 176.870 0.027 0.000 1.228 238 L CA -0.243 54.601 54.840 0.007 0.000 0.827 238 L CB 0.435 42.488 42.059 -0.010 0.000 1.099 238 L HN 0.664 nan 8.230 nan 0.000 0.494 239 T N -2.449 112.131 114.554 0.043 0.000 2.907 239 T HA 0.136 4.487 4.350 0.000 0.000 0.284 239 T C 0.769 175.554 174.700 0.141 0.000 1.004 239 T CA -0.614 61.537 62.100 0.085 0.000 1.063 239 T CB 0.926 69.840 68.868 0.076 0.000 0.992 239 T HN 0.577 nan 8.240 nan 0.000 0.483 240 Y N 2.437 122.756 120.300 0.031 0.000 2.228 240 Y HA -0.258 4.292 4.550 0.000 0.000 0.285 240 Y C 2.528 178.514 175.900 0.144 0.000 1.178 240 Y CA 1.455 59.601 58.100 0.076 0.000 1.202 240 Y CB -0.082 38.430 38.460 0.087 0.000 0.974 240 Y HN 0.636 nan 8.280 nan 0.000 0.527 241 R N 0.059 120.777 120.500 0.364 0.000 2.093 241 R HA -0.092 4.248 4.340 0.000 0.000 0.224 241 R C 2.207 178.576 176.300 0.115 0.000 1.101 241 R CA 1.506 57.752 56.100 0.245 0.000 0.979 241 R CB -0.195 30.215 30.300 0.182 0.000 0.877 241 R HN 0.485 nan 8.270 nan 0.000 0.441 242 E N 0.596 120.840 120.200 0.075 0.000 2.077 242 E HA -0.181 4.170 4.350 0.000 0.000 0.193 242 E C 2.052 178.644 176.600 -0.013 0.000 0.989 242 E CA 1.164 57.579 56.400 0.025 0.000 0.800 242 E CB -0.096 29.613 29.700 0.015 0.000 0.746 242 E HN 0.341 nan 8.360 nan 0.000 0.452 243 A N 1.608 124.398 122.820 -0.051 0.000 1.865 243 A HA -0.233 4.088 4.320 0.000 0.000 0.217 243 A C 1.971 179.444 177.584 -0.185 0.000 1.191 243 A CA 1.535 53.485 52.037 -0.145 0.000 0.623 243 A CB -0.812 18.050 19.000 -0.229 0.000 0.826 243 A HN 0.275 nan 8.150 nan 0.000 0.444 244 H N -1.062 117.903 119.070 -0.176 0.000 2.319 244 H HA -0.138 4.418 4.556 0.000 0.000 0.299 244 H C 2.151 177.424 175.328 -0.092 0.000 1.092 244 H CA 1.914 57.858 56.048 -0.172 0.000 1.302 244 H CB -0.537 29.084 29.762 -0.235 0.000 1.373 244 H HN 0.404 nan 8.280 nan 0.000 0.497 245 L N 1.042 122.304 121.223 0.065 0.000 1.971 245 L HA -0.190 4.150 4.340 0.000 0.000 0.215 245 L C 2.512 179.383 176.870 0.001 0.000 1.072 245 L CA 1.427 56.285 54.840 0.031 0.000 0.758 245 L CB -1.139 40.933 42.059 0.021 0.000 0.889 245 L HN 0.167 nan 8.230 nan 0.000 0.433 246 L N -0.771 120.438 121.223 -0.024 0.000 1.997 246 L HA -0.277 4.063 4.340 0.000 0.000 0.216 246 L C 2.422 179.270 176.870 -0.038 0.000 1.074 246 L CA 2.255 57.071 54.840 -0.040 0.000 0.763 246 L CB -0.760 41.265 42.059 -0.058 0.000 0.890 246 L HN 0.340 nan 8.230 nan 0.000 0.434 247 M N -0.630 118.938 119.600 -0.053 0.000 2.080 247 M HA -0.223 4.257 4.480 0.000 0.000 0.260 247 M C 2.186 178.478 176.300 -0.013 0.000 1.068 247 M CA 1.753 57.025 55.300 -0.048 0.000 1.109 247 M CB -1.349 31.201 32.600 -0.084 0.000 1.342 247 M HN 0.403 nan 8.290 nan 0.000 0.405 248 E N -0.018 120.185 120.200 0.005 0.000 2.085 248 E HA -0.181 4.170 4.350 0.000 0.000 0.194 248 E C 2.038 178.644 176.600 0.010 0.000 0.994 248 E CA 0.962 57.372 56.400 0.016 0.000 0.801 248 E CB -0.069 29.648 29.700 0.028 0.000 0.743 248 E HN 0.339 nan 8.360 nan 0.000 0.453 249 I N 0.986 121.557 120.570 0.002 0.000 2.202 249 I HA -0.209 3.961 4.170 0.000 0.000 0.242 249 I C 2.371 178.491 176.117 0.005 0.000 1.091 249 I CA 1.194 62.495 61.300 0.001 0.000 1.368 249 I CB -0.982 37.013 38.000 -0.009 0.000 1.058 249 I HN 0.177 nan 8.210 nan 0.000 0.410 250 L N 0.527 121.751 121.223 0.002 0.000 2.191 250 L HA -0.187 4.154 4.340 0.000 0.000 0.212 250 L C 2.722 179.606 176.870 0.024 0.000 1.103 250 L CA 1.150 55.998 54.840 0.013 0.000 0.769 250 L CB -0.656 41.408 42.059 0.008 0.000 0.908 250 L HN 0.195 nan 8.230 nan 0.000 0.438 251 A N 0.429 123.260 122.820 0.019 0.000 1.873 251 A HA -0.199 4.121 4.320 0.000 0.000 0.215 251 A C 2.095 179.694 177.584 0.026 0.000 1.186 251 A CA 1.441 53.492 52.037 0.024 0.000 0.616 251 A CB -0.405 18.604 19.000 0.016 0.000 0.823 251 A HN 0.464 nan 8.150 nan 0.000 0.442 252 E N 0.634 120.845 120.200 0.018 0.000 2.209 252 E HA -0.179 4.171 4.350 0.000 0.000 0.196 252 E C 2.127 178.738 176.600 0.019 0.000 0.993 252 E CA 1.321 57.730 56.400 0.015 0.000 0.819 252 E CB -0.304 29.401 29.700 0.009 0.000 0.745 252 E HN 0.771 nan 8.360 nan 0.000 0.477 253 S N 0.062 115.777 115.700 0.025 0.000 2.419 253 S HA -0.083 4.387 4.470 0.000 0.000 0.233 253 S C 1.912 176.535 174.600 0.038 0.000 1.016 253 S CA 1.002 59.219 58.200 0.030 0.000 0.974 253 S CB -0.407 62.814 63.200 0.035 0.000 0.786 253 S HN 0.464 nan 8.310 nan 0.000 0.492 254 G N 1.533 110.361 108.800 0.046 0.000 2.184 254 G HA2 -0.306 3.655 3.960 0.000 0.000 0.264 254 G HA3 -0.306 3.655 3.960 0.000 0.000 0.264 254 G C 0.872 175.817 174.900 0.076 0.000 0.975 254 G CA 0.462 45.596 45.100 0.056 0.000 0.642 254 G HN 0.617 nan 8.290 nan 0.000 0.536 255 R N -0.405 120.140 120.500 0.076 0.000 2.362 255 R HA 0.353 4.693 4.340 0.000 0.000 0.227 255 R C 0.881 177.244 176.300 0.105 0.000 0.905 255 R CA 0.023 56.173 56.100 0.083 0.000 1.067 255 R CB 0.832 31.171 30.300 0.064 0.000 1.078 255 R HN 0.322 nan 8.270 nan 0.000 0.516 256 V N 2.597 122.591 119.914 0.134 0.000 2.763 256 V HA -0.096 4.025 4.120 0.000 0.000 0.306 256 V C 1.155 177.396 176.094 0.245 0.000 1.059 256 V CA 0.733 63.133 62.300 0.167 0.000 1.138 256 V CB 1.260 33.207 31.823 0.206 0.000 0.940 256 V HN 0.438 nan 8.190 nan 0.000 0.489 257 Q N 2.052 121.880 119.800 0.046 0.000 2.101 257 Q HA 0.318 4.658 4.340 0.000 0.000 0.236 257 Q C 0.015 175.405 176.000 -1.016 0.000 0.772 257 Q CA 0.105 55.778 55.803 -0.217 0.000 0.944 257 Q CB 1.061 29.745 28.738 -0.089 0.000 1.171 257 Q HN 0.724 nan 8.270 nan 0.000 0.463 258 S N -0.082 115.154 115.700 -0.773 0.000 2.552 258 S HA 0.726 5.196 4.470 0.000 0.000 0.272 258 S C -1.674 172.664 174.600 -0.436 0.000 1.150 258 S CA -0.879 56.901 58.200 -0.701 0.000 0.849 258 S CB 2.009 65.139 63.200 -0.117 0.000 1.113 258 S HN 0.252 nan 8.310 nan 0.000 0.458 259 L N 1.170 122.228 121.223 -0.275 0.000 2.445 259 L HA 0.749 5.089 4.340 0.000 0.000 0.262 259 L C -2.091 174.689 176.870 -0.149 0.000 0.974 259 L CA -0.189 54.501 54.840 -0.250 0.000 0.822 259 L CB 2.109 44.157 42.059 -0.018 0.000 1.339 259 L HN 0.830 nan 8.230 nan 0.000 0.409 260 D N 5.144 125.427 120.400 -0.195 0.000 2.278 260 D HA 0.517 5.158 4.640 0.000 0.000 0.245 260 D C -0.805 175.405 176.300 -0.151 0.000 1.052 260 D CA 0.152 54.095 54.000 -0.094 0.000 0.834 260 D CB 2.355 43.129 40.800 -0.042 0.000 1.194 260 D HN 0.429 nan 8.370 nan 0.000 0.481 261 L N 2.242 123.391 121.223 -0.122 0.000 2.324 261 L HA 0.395 4.735 4.340 0.000 0.000 0.274 261 L C 0.233 177.010 176.870 -0.154 0.000 1.012 261 L CA -0.828 53.926 54.840 -0.143 0.000 0.859 261 L CB 1.197 43.196 42.059 -0.100 0.000 1.224 261 L HN 0.192 nan 8.230 nan 0.000 0.429 262 V N -0.964 118.809 119.914 -0.235 0.000 3.229 262 V HA 0.569 4.690 4.120 0.000 0.000 0.310 262 V C 0.524 176.483 176.094 -0.224 0.000 1.206 262 V CA -0.734 61.420 62.300 -0.244 0.000 1.051 262 V CB 1.593 33.196 31.823 -0.366 0.000 1.183 262 V HN 0.699 nan 8.190 nan 0.000 0.466 263 E N -0.806 119.277 120.200 -0.195 0.000 2.365 263 E HA -0.178 4.173 4.350 0.000 0.000 0.237 263 E C -0.204 176.331 176.600 -0.109 0.000 1.238 263 E CA 0.818 57.127 56.400 -0.151 0.000 0.718 263 E CB -1.353 28.250 29.700 -0.161 0.000 1.218 263 E HN 0.635 nan 8.360 nan 0.000 0.387 264 V N 1.836 121.694 119.914 -0.094 0.000 2.385 264 V HA 0.175 4.295 4.120 0.000 0.000 0.269 264 V C 0.651 176.712 176.094 -0.054 0.000 1.043 264 V CA -0.454 61.805 62.300 -0.067 0.000 0.906 264 V CB 1.427 33.214 31.823 -0.059 0.000 0.995 264 V HN 0.134 nan 8.190 nan 0.000 0.467 265 N N 7.995 126.668 118.700 -0.045 0.000 2.564 265 N HA 0.359 5.099 4.740 0.000 0.000 0.248 265 N C -1.529 173.962 175.510 -0.032 0.000 0.986 265 N CA -2.022 51.004 53.050 -0.040 0.000 0.921 265 N CB 2.556 41.021 38.487 -0.037 0.000 1.136 265 N HN 0.256 nan 8.380 nan 0.000 0.509 266 P HA -0.058 nan 4.420 nan 0.000 0.219 266 P C 1.476 178.757 177.300 -0.031 0.000 1.150 266 P CA 0.743 63.823 63.100 -0.034 0.000 0.814 266 P CB 0.686 32.359 31.700 -0.045 0.000 0.787 267 I N -0.930 119.621 120.570 -0.031 0.000 2.530 267 I HA -0.176 3.994 4.170 0.000 0.000 0.257 267 I C 2.148 178.254 176.117 -0.019 0.000 1.179 267 I CA 1.293 62.578 61.300 -0.026 0.000 1.440 267 I CB -0.349 37.636 38.000 -0.024 0.000 1.087 267 I HN -0.115 nan 8.210 nan 0.000 0.440 268 L N -1.052 120.161 121.223 -0.017 0.000 2.766 268 L HA 0.179 4.519 4.340 0.000 0.000 0.242 268 L C 0.708 177.572 176.870 -0.009 0.000 1.136 268 L CA -0.232 54.602 54.840 -0.011 0.000 0.933 268 L CB 0.088 42.142 42.059 -0.008 0.000 1.241 268 L HN 0.095 nan 8.230 nan 0.000 0.522 269 D N 0.756 121.148 120.400 -0.013 0.000 2.440 269 D HA 0.161 4.801 4.640 0.000 0.000 0.269 269 D C -0.306 175.990 176.300 -0.008 0.000 1.249 269 D CA 0.011 54.006 54.000 -0.010 0.000 1.055 269 D CB 0.735 41.528 40.800 -0.012 0.000 1.104 269 D HN 0.005 nan 8.370 nan 0.000 0.561 270 E N 0.418 120.615 120.200 -0.005 0.000 2.283 270 E HA 0.294 4.644 4.350 0.000 0.000 0.258 270 E C -0.484 176.114 176.600 -0.003 0.000 0.893 270 E CA -0.614 55.784 56.400 -0.004 0.000 0.798 270 E CB 1.683 31.382 29.700 -0.002 0.000 1.242 270 E HN 0.327 nan 8.360 nan 0.000 0.414 271 R N 2.156 122.653 120.500 -0.006 0.000 3.610 271 R HA -0.263 4.077 4.340 0.000 0.000 0.274 271 R C -0.039 176.263 176.300 0.003 0.000 1.123 271 R CA 0.832 56.930 56.100 -0.003 0.000 0.747 271 R CB -1.981 28.319 30.300 0.000 0.000 1.149 271 R HN 0.915 nan 8.270 nan 0.000 0.471 272 N N 0.110 118.810 118.700 -0.001 0.000 2.735 272 N HA -0.220 4.520 4.740 0.000 0.000 0.248 272 N C 1.065 176.585 175.510 0.017 0.000 1.083 272 N CA 1.626 54.679 53.050 0.005 0.000 0.703 272 N CB -0.360 38.133 38.487 0.009 0.000 1.005 272 N HN 0.759 nan 8.380 nan 0.000 0.550 273 R N -2.815 117.695 120.500 0.017 0.000 2.236 273 R HA 0.088 4.428 4.340 0.000 0.000 0.208 273 R C 1.414 177.733 176.300 0.032 0.000 1.036 273 R CA 1.313 57.430 56.100 0.029 0.000 1.001 273 R CB -0.334 29.982 30.300 0.027 0.000 0.896 273 R HN 0.151 nan 8.270 nan 0.000 0.464 274 T N 1.241 115.805 114.554 0.016 0.000 2.770 274 T HA 0.019 4.369 4.350 0.000 0.000 0.263 274 T C 2.030 176.730 174.700 -0.000 0.000 1.039 274 T CA 1.437 63.541 62.100 0.006 0.000 1.142 274 T CB -0.134 68.729 68.868 -0.008 0.000 0.868 274 T HN 0.478 nan 8.240 nan 0.000 0.435 275 A N 1.385 124.207 122.820 0.003 0.000 1.902 275 A HA -0.113 4.207 4.320 0.000 0.000 0.217 275 A C 2.137 179.729 177.584 0.013 0.000 1.181 275 A CA 1.710 53.750 52.037 0.004 0.000 0.623 275 A CB -0.566 18.445 19.000 0.018 0.000 0.818 275 A HN 0.538 nan 8.150 nan 0.000 0.443 276 E N -0.826 119.392 120.200 0.030 0.000 2.153 276 E HA -0.132 4.218 4.350 0.000 0.000 0.194 276 E C 2.027 178.661 176.600 0.056 0.000 0.988 276 E CA 1.163 57.591 56.400 0.046 0.000 0.811 276 E CB -0.174 29.560 29.700 0.057 0.000 0.746 276 E HN 0.540 nan 8.360 nan 0.000 0.466 277 M N -0.187 119.444 119.600 0.053 0.000 2.296 277 M HA -0.113 4.367 4.480 0.000 0.000 0.265 277 M C 1.753 178.028 176.300 -0.043 0.000 1.064 277 M CA 0.923 56.256 55.300 0.055 0.000 1.109 277 M CB -0.001 32.638 32.600 0.065 0.000 1.396 277 M HN 0.170 nan 8.290 nan 0.000 0.430 278 L N -1.147 120.045 121.223 -0.051 0.000 2.168 278 L HA -0.012 4.328 4.340 0.000 0.000 0.203 278 L C 2.276 179.099 176.870 -0.078 0.000 1.078 278 L CA 0.649 55.432 54.840 -0.094 0.000 0.780 278 L CB -0.518 41.488 42.059 -0.087 0.000 0.939 278 L HN -0.063 nan 8.230 nan 0.000 0.451 279 V N 0.058 119.950 119.914 -0.038 0.000 2.380 279 V HA -0.301 3.819 4.120 0.000 0.000 0.251 279 V C 2.477 178.560 176.094 -0.019 0.000 1.063 279 V CA 2.071 64.355 62.300 -0.026 0.000 1.055 279 V CB -1.377 30.445 31.823 -0.002 0.000 0.657 279 V HN 0.607 nan 8.190 nan 0.000 0.455 280 G N -0.692 108.109 108.800 0.001 0.000 2.408 280 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 280 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 280 G C 1.536 176.439 174.900 0.004 0.000 1.150 280 G CA 0.698 45.834 45.100 0.061 0.000 0.776 280 G HN 0.492 nan 8.290 nan 0.000 0.542 281 L N 0.542 121.646 121.223 -0.198 0.000 2.217 281 L HA 0.070 4.410 4.340 0.000 0.000 0.211 281 L C 3.315 180.092 176.870 -0.155 0.000 1.107 281 L CA 0.650 55.301 54.840 -0.316 0.000 0.783 281 L CB -0.263 41.571 42.059 -0.375 0.000 0.919 281 L HN 0.298 nan 8.230 nan 0.000 0.442 282 A N 0.503 123.256 122.820 -0.111 0.000 1.873 282 A HA -0.155 4.165 4.320 0.000 0.000 0.215 282 A C 2.225 179.758 177.584 -0.086 0.000 1.186 282 A CA 1.292 53.272 52.037 -0.095 0.000 0.616 282 A CB -0.699 18.250 19.000 -0.086 0.000 0.823 282 A HN 0.326 nan 8.150 nan 0.000 0.442 283 L N -0.155 121.037 121.223 -0.052 0.000 2.079 283 L HA -0.203 4.137 4.340 0.000 0.000 0.210 283 L C 2.806 179.676 176.870 -0.000 0.000 1.081 283 L CA 1.535 56.361 54.840 -0.022 0.000 0.752 283 L CB -0.465 41.602 42.059 0.014 0.000 0.896 283 L HN 0.335 nan 8.230 nan 0.000 0.433 284 S N -0.117 115.595 115.700 0.020 0.000 2.383 284 S HA -0.136 4.334 4.470 0.000 0.000 0.227 284 S C 1.816 176.417 174.600 0.001 0.000 1.026 284 S CA 0.952 59.179 58.200 0.045 0.000 0.981 284 S CB -0.251 63.025 63.200 0.126 0.000 0.818 284 S HN 0.242 nan 8.310 nan 0.000 0.472 285 L N 0.875 122.076 121.223 -0.036 0.000 2.201 285 L HA 0.155 4.495 4.340 0.000 0.000 0.212 285 L C 0.984 177.823 176.870 -0.051 0.000 1.105 285 L CA 1.329 56.148 54.840 -0.035 0.000 0.775 285 L CB -0.324 41.711 42.059 -0.040 0.000 0.913 285 L HN 0.178 nan 8.230 nan 0.000 0.440 286 L N -0.038 121.130 121.223 -0.091 0.000 2.783 286 L HA 0.408 4.748 4.340 0.000 0.000 0.236 286 L C 1.437 178.333 176.870 0.043 0.000 1.225 286 L CA 0.700 55.462 54.840 -0.131 0.000 1.026 286 L CB -0.443 41.410 42.059 -0.343 0.000 1.314 286 L HN 0.394 nan 8.230 nan 0.000 0.489 287 G N -1.369 107.448 108.800 0.029 0.000 2.259 287 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 287 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 287 G C 0.753 175.671 174.900 0.030 0.000 1.001 287 G CA 0.000 45.123 45.100 0.038 0.000 0.627 287 G HN 0.318 nan 8.290 nan 0.000 0.501 288 K N 0.969 121.392 120.400 0.039 0.000 2.469 288 K HA 0.464 4.784 4.320 0.000 0.000 0.274 288 K C 0.402 177.019 176.600 0.027 0.000 0.983 288 K CA 0.400 56.706 56.287 0.032 0.000 0.974 288 K CB 0.170 32.690 32.500 0.034 0.000 0.913 288 K HN 0.440 nan 8.250 nan 0.000 0.493 289 R N 2.804 123.320 120.500 0.027 0.000 2.710 289 R HA 0.240 4.581 4.340 0.000 0.000 0.270 289 R C 0.878 177.206 176.300 0.047 0.000 1.021 289 R CA -0.724 55.398 56.100 0.037 0.000 0.889 289 R CB 0.841 31.169 30.300 0.048 0.000 1.243 289 R HN 0.556 nan 8.270 nan 0.000 0.464 290 I N 0.555 121.156 120.570 0.053 0.000 2.163 290 I HA -0.100 4.070 4.170 0.000 0.000 0.240 290 I C 0.979 177.159 176.117 0.104 0.000 1.081 290 I CA 1.598 62.923 61.300 0.043 0.000 1.353 290 I CB 0.138 38.151 38.000 0.022 0.000 1.054 290 I HN 0.330 nan 8.210 nan 0.000 0.407 291 F N 0.000 119.941 119.950 -0.015 0.000 2.286 291 F HA 0.000 4.527 4.527 0.000 0.000 0.279 291 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 291 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574