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 2ef5_1_G 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 0.000 176.745 176.600 0.242 0.000 1.382 2 E CA 0.000 56.470 56.400 0.117 0.000 0.976 2 E CB 0.000 29.725 29.700 0.042 0.000 0.812 3 R N 1.408 122.036 120.500 0.213 0.000 2.460 3 R HA 0.713 5.053 4.340 -0.000 0.000 0.303 3 R C -1.185 175.211 176.300 0.159 0.000 0.968 3 R CA -0.669 55.533 56.100 0.170 0.000 0.889 3 R CB 2.660 33.027 30.300 0.112 0.000 1.123 3 R HN -0.086 nan 8.270 nan 0.000 0.455 4 V N 1.790 121.765 119.914 0.102 0.000 2.638 4 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 4 V C -0.672 175.454 176.094 0.053 0.000 1.052 4 V CA -0.841 61.491 62.300 0.053 0.000 0.885 4 V CB 1.928 33.683 31.823 -0.114 0.000 0.999 4 V HN 0.917 nan 8.190 nan 0.000 0.424 5 A N 4.472 127.332 122.820 0.067 0.000 2.318 5 A HA 0.869 5.189 4.320 -0.000 0.000 0.317 5 A C -0.898 176.703 177.584 0.029 0.000 1.159 5 A CA -0.528 51.532 52.037 0.038 0.000 0.799 5 A CB 1.501 20.521 19.000 0.033 0.000 1.194 5 A HN 0.663 nan 8.150 nan 0.000 0.479 6 V N 2.755 122.675 119.914 0.010 0.000 2.459 6 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 6 V C -0.319 175.770 176.094 -0.008 0.000 1.029 6 V CA -0.489 61.810 62.300 -0.001 0.000 0.874 6 V CB 1.397 33.210 31.823 -0.015 0.000 0.985 6 V HN 0.826 nan 8.190 nan 0.000 0.438 7 V N 4.034 123.942 119.914 -0.010 0.000 2.841 7 V HA 0.941 5.061 4.120 -0.000 0.000 0.310 7 V C 0.160 176.243 176.094 -0.019 0.000 1.090 7 V CA 0.088 62.381 62.300 -0.012 0.000 0.930 7 V CB 2.178 33.998 31.823 -0.005 0.000 1.014 7 V HN 0.964 nan 8.190 nan 0.000 0.425 8 G N 3.669 112.456 108.800 -0.022 0.000 2.417 8 G HA2 0.616 4.576 3.960 -0.000 0.000 0.334 8 G HA3 0.616 4.576 3.960 -0.000 0.000 0.334 8 G C -1.277 173.610 174.900 -0.022 0.000 1.150 8 G CA -0.539 44.546 45.100 -0.026 0.000 0.923 8 G HN 0.983 nan 8.290 nan 0.000 0.485 9 V N 2.809 122.708 119.914 -0.025 0.000 2.380 9 V HA 0.269 4.389 4.120 -0.000 0.000 0.268 9 V C -2.065 174.012 176.094 -0.028 0.000 1.008 9 V CA -1.212 61.074 62.300 -0.023 0.000 0.823 9 V CB 1.848 33.659 31.823 -0.021 0.000 1.053 9 V HN 0.711 nan 8.190 nan 0.000 0.446 10 P HA 0.102 nan 4.420 nan 0.000 0.231 10 P C -0.210 177.069 177.300 -0.036 0.000 1.756 10 P CA 0.124 63.207 63.100 -0.029 0.000 0.990 10 P CB 0.249 31.935 31.700 -0.023 0.000 1.973 11 M N 1.870 121.447 119.600 -0.038 0.000 2.180 11 M HA 0.315 4.795 4.480 -0.000 0.000 0.350 11 M C -0.647 175.623 176.300 -0.051 0.000 1.125 11 M CA -0.124 55.148 55.300 -0.046 0.000 1.031 11 M CB 1.117 33.698 32.600 -0.032 0.000 1.623 11 M HN -0.191 nan 8.290 nan 0.000 0.451 12 D N 6.480 126.836 120.400 -0.074 0.000 2.621 12 D HA 0.361 5.001 4.640 -0.000 0.000 0.274 12 D C -1.457 174.774 176.300 -0.114 0.000 1.215 12 D CA -0.022 53.936 54.000 -0.069 0.000 0.810 12 D CB 0.419 41.181 40.800 -0.064 0.000 1.248 12 D HN 0.614 nan 8.370 nan 0.000 0.517 20 V N -0.316 119.571 119.914 -0.044 0.000 3.078 20 V HA -0.012 4.108 4.120 -0.000 0.000 0.265 20 V C 2.110 178.178 176.094 -0.044 0.000 1.122 20 V CA 1.948 64.217 62.300 -0.052 0.000 1.141 20 V CB -0.326 31.449 31.823 -0.080 0.000 0.735 20 V HN 0.367 nan 8.190 nan 0.000 0.498 21 D N 0.538 120.914 120.400 -0.039 0.000 2.350 21 D HA -0.170 4.470 4.640 -0.000 0.000 0.216 21 D C 1.702 177.990 176.300 -0.020 0.000 0.968 21 D CA 1.061 55.041 54.000 -0.034 0.000 0.894 21 D CB -0.275 40.503 40.800 -0.037 0.000 0.909 21 D HN 0.527 nan 8.370 nan 0.000 0.520 22 M N 0.069 119.661 119.600 -0.013 0.000 2.495 22 M HA 0.239 4.719 4.480 -0.000 0.000 0.237 22 M C 2.044 178.350 176.300 0.009 0.000 1.131 22 M CA 0.280 55.584 55.300 0.006 0.000 1.032 22 M CB 0.719 33.325 32.600 0.010 0.000 1.513 22 M HN 0.055 nan 8.290 nan 0.000 0.488 23 G N 2.094 110.888 108.800 -0.011 0.000 2.440 23 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 23 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 23 G C -1.073 173.820 174.900 -0.012 0.000 1.154 23 G CA 0.681 45.771 45.100 -0.016 0.000 0.767 23 G HN 0.324 nan 8.290 nan 0.000 0.552 24 P HA -0.040 nan 4.420 nan 0.000 0.215 24 P C 2.297 179.583 177.300 -0.024 0.000 1.153 24 P CA 1.643 64.727 63.100 -0.027 0.000 0.853 24 P CB -0.045 31.636 31.700 -0.031 0.000 0.788 25 S N -0.508 115.193 115.700 0.001 0.000 2.368 25 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 25 S C 2.052 176.727 174.600 0.126 0.000 1.030 25 S CA 1.380 59.593 58.200 0.021 0.000 0.999 25 S CB -1.111 62.157 63.200 0.112 0.000 0.844 25 S HN 0.127 nan 8.310 nan 0.000 0.459 26 A N 1.344 124.245 122.820 0.134 0.000 1.902 26 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 26 A C 2.120 179.766 177.584 0.104 0.000 1.181 26 A CA 1.174 53.301 52.037 0.149 0.000 0.623 26 A CB -0.701 18.341 19.000 0.069 0.000 0.818 26 A HN 0.447 nan 8.150 nan 0.000 0.443 27 L N -1.199 120.046 121.223 0.037 0.000 2.056 27 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 27 L C 2.882 179.749 176.870 -0.005 0.000 1.078 27 L CA 1.356 56.201 54.840 0.008 0.000 0.749 27 L CB -0.404 41.643 42.059 -0.020 0.000 0.901 27 L HN 0.341 nan 8.230 nan 0.000 0.433 28 R N -1.212 119.257 120.500 -0.050 0.000 2.081 28 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 28 R C 2.211 178.442 176.300 -0.115 0.000 1.131 28 R CA 1.389 57.417 56.100 -0.120 0.000 0.960 28 R CB -0.387 29.780 30.300 -0.222 0.000 0.856 28 R HN 0.244 nan 8.270 nan 0.000 0.436 29 Y N 0.225 120.520 120.300 -0.008 0.000 2.497 29 Y HA -0.042 4.508 4.550 -0.000 0.000 0.292 29 Y C 1.975 177.873 175.900 -0.004 0.000 1.137 29 Y CA 0.699 58.795 58.100 -0.006 0.000 1.285 29 Y CB -0.093 38.363 38.460 -0.007 0.000 0.991 29 Y HN 0.086 nan 8.280 nan 0.000 0.556 30 A N -0.099 122.799 122.820 0.129 0.000 2.302 30 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 30 A C 0.932 178.547 177.584 0.052 0.000 1.243 30 A CA -0.106 51.979 52.037 0.080 0.000 0.856 30 A CB -0.651 18.383 19.000 0.057 0.000 0.893 30 A HN 0.439 nan 8.150 nan 0.000 0.491 31 R N -2.194 118.332 120.500 0.043 0.000 3.525 31 R HA -0.216 4.124 4.340 -0.000 0.000 0.276 31 R C 0.880 177.184 176.300 0.007 0.000 1.116 31 R CA 0.614 56.726 56.100 0.021 0.000 0.745 31 R CB -2.383 27.936 30.300 0.032 0.000 1.185 31 R HN 0.543 nan 8.270 nan 0.000 0.454 32 L N 0.259 121.479 121.223 -0.005 0.000 2.042 32 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 32 L C 1.962 178.821 176.870 -0.018 0.000 1.076 32 L CA 2.129 56.960 54.840 -0.015 0.000 0.749 32 L CB -0.296 41.746 42.059 -0.028 0.000 0.893 32 L HN 0.500 nan 8.230 nan 0.000 0.432 33 L N -0.857 120.353 121.223 -0.022 0.000 2.027 33 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 33 L C 2.497 179.367 176.870 -0.000 0.000 1.074 33 L CA 1.423 56.254 54.840 -0.017 0.000 0.745 33 L CB -0.278 41.766 42.059 -0.025 0.000 0.898 33 L HN 0.270 nan 8.230 nan 0.000 0.433 34 E N -0.375 119.827 120.200 0.002 0.000 2.110 34 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 34 E C 2.162 178.774 176.600 0.019 0.000 0.988 34 E CA 1.216 57.623 56.400 0.011 0.000 0.804 34 E CB -0.169 29.538 29.700 0.011 0.000 0.745 34 E HN 0.541 nan 8.360 nan 0.000 0.458 35 Q N -0.210 119.601 119.800 0.019 0.000 2.172 35 Q HA -0.005 4.335 4.340 -0.000 0.000 0.200 35 Q C 2.193 178.217 176.000 0.040 0.000 0.964 35 Q CA 0.653 56.471 55.803 0.026 0.000 0.855 35 Q CB -0.025 28.727 28.738 0.023 0.000 0.918 35 Q HN 0.303 nan 8.270 nan 0.000 0.444 36 L N 0.616 121.859 121.223 0.033 0.000 2.093 36 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 36 L C 2.102 179.054 176.870 0.138 0.000 1.085 36 L CA 1.159 56.039 54.840 0.067 0.000 0.755 36 L CB -0.233 41.816 42.059 -0.016 0.000 0.904 36 L HN 0.258 nan 8.230 nan 0.000 0.435 37 E N -0.090 120.158 120.200 0.081 0.000 2.072 37 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 37 E C 1.629 178.258 176.600 0.048 0.000 0.985 37 E CA 1.142 57.584 56.400 0.071 0.000 0.801 37 E CB -0.063 29.662 29.700 0.041 0.000 0.750 37 E HN 0.455 nan 8.360 nan 0.000 0.452 38 D N 0.751 121.175 120.400 0.039 0.000 2.221 38 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 38 D C 1.710 178.022 176.300 0.020 0.000 0.982 38 D CA 0.625 54.639 54.000 0.023 0.000 0.857 38 D CB -0.048 40.765 40.800 0.022 0.000 0.934 38 D HN 0.077 nan 8.370 nan 0.000 0.475 39 L N -0.520 120.732 121.223 0.048 0.000 2.552 39 L HA 0.176 4.516 4.340 -0.000 0.000 0.227 39 L C 1.483 178.313 176.870 -0.067 0.000 1.146 39 L CA 1.116 55.979 54.840 0.038 0.000 0.858 39 L CB -0.078 42.070 42.059 0.148 0.000 0.969 39 L HN 0.211 nan 8.230 nan 0.000 0.451 40 G N -2.831 105.933 108.800 -0.061 0.000 2.179 40 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 40 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 40 G C 0.012 174.788 174.900 -0.207 0.000 0.990 40 G CA -0.050 44.959 45.100 -0.152 0.000 0.646 40 G HN 0.250 nan 8.290 nan 0.000 0.517 41 Y N 1.668 121.950 120.300 -0.030 0.000 2.320 41 Y HA 0.539 5.089 4.550 -0.000 0.000 0.324 41 Y C 1.287 177.177 175.900 -0.016 0.000 1.190 41 Y CA 0.328 58.411 58.100 -0.030 0.000 1.215 41 Y CB 1.352 39.782 38.460 -0.049 0.000 1.221 41 Y HN 0.217 nan 8.280 nan 0.000 0.486 42 T N 0.302 114.954 114.554 0.164 0.000 2.744 42 T HA 0.650 5.000 4.350 -0.000 0.000 0.291 42 T C -0.667 174.093 174.700 0.100 0.000 0.957 42 T CA -0.721 61.436 62.100 0.095 0.000 1.002 42 T CB 0.181 69.088 68.868 0.065 0.000 0.919 42 T HN 0.327 nan 8.240 nan 0.000 0.468 43 V N 3.424 123.378 119.914 0.068 0.000 2.581 43 V HA 0.611 4.731 4.120 -0.000 0.000 0.303 43 V C -0.006 176.104 176.094 0.027 0.000 1.041 43 V CA -0.912 61.414 62.300 0.043 0.000 0.907 43 V CB 1.583 33.422 31.823 0.027 0.000 0.994 43 V HN 1.047 nan 8.190 nan 0.000 0.442 44 E N 2.569 122.782 120.200 0.022 0.000 2.218 44 E HA 0.308 4.658 4.350 -0.000 0.000 0.263 44 E C -1.504 175.099 176.600 0.005 0.000 0.879 44 E CA -0.641 55.768 56.400 0.014 0.000 0.762 44 E CB 1.694 31.405 29.700 0.019 0.000 1.166 44 E HN 0.705 nan 8.360 nan 0.000 0.415 45 D N 5.153 125.550 120.400 -0.004 0.000 2.313 45 D HA 0.142 4.782 4.640 -0.000 0.000 0.239 45 D C 0.658 176.952 176.300 -0.010 0.000 1.142 45 D CA -0.262 53.730 54.000 -0.013 0.000 0.847 45 D CB 1.154 41.938 40.800 -0.026 0.000 1.082 45 D HN 0.604 nan 8.370 nan 0.000 0.480 46 L N 3.244 124.462 121.223 -0.007 0.000 2.612 46 L HA 0.239 4.579 4.340 -0.000 0.000 0.230 46 L C 1.569 178.433 176.870 -0.009 0.000 1.140 46 L CA 0.100 54.937 54.840 -0.004 0.000 0.896 46 L CB -0.734 41.326 42.059 0.000 0.000 1.065 46 L HN 0.645 nan 8.230 nan 0.000 0.447 47 G N 0.515 109.305 108.800 -0.016 0.000 2.593 47 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.237 47 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.237 47 G C -0.900 173.988 174.900 -0.019 0.000 1.312 47 G CA -0.489 44.599 45.100 -0.020 0.000 0.896 47 G HN 0.206 nan 8.290 nan 0.000 0.574 48 D N -0.638 119.753 120.400 -0.016 0.000 2.269 48 D HA 0.563 5.203 4.640 -0.000 0.000 0.244 48 D C 0.236 176.532 176.300 -0.008 0.000 0.992 48 D CA -0.373 53.618 54.000 -0.015 0.000 0.894 48 D CB 1.892 42.682 40.800 -0.017 0.000 1.248 48 D HN 0.410 nan 8.370 nan 0.000 0.468 49 V N 2.845 122.756 119.914 -0.006 0.000 2.530 49 V HA 0.203 4.323 4.120 -0.000 0.000 0.282 49 V C -1.975 174.118 176.094 -0.001 0.000 1.048 49 V CA -1.292 61.008 62.300 0.000 0.000 0.997 49 V CB 1.015 32.840 31.823 0.003 0.000 0.987 49 V HN 0.397 nan 8.190 nan 0.000 0.477 50 P HA 0.146 nan 4.420 nan 0.000 0.264 50 P C -1.015 176.286 177.300 0.001 0.000 1.193 50 P CA 0.185 63.286 63.100 0.002 0.000 0.763 50 P CB 0.429 32.133 31.700 0.007 0.000 0.810 51 V N 1.986 121.896 119.914 -0.006 0.000 2.525 51 V HA 0.682 4.802 4.120 -0.000 0.000 0.299 51 V C 0.438 176.521 176.094 -0.019 0.000 1.034 51 V CA -0.188 62.104 62.300 -0.014 0.000 0.863 51 V CB 0.993 32.800 31.823 -0.027 0.000 0.999 51 V HN 0.712 nan 8.190 nan 0.000 0.423 65 A N 0.333 123.095 122.820 -0.096 0.000 2.561 65 A HA 0.163 4.483 4.320 -0.000 0.000 0.251 65 A C -0.168 177.415 177.584 -0.001 0.000 1.062 65 A CA 0.613 52.572 52.037 -0.131 0.000 0.761 65 A CB -1.140 17.845 19.000 -0.026 0.000 0.986 65 A HN 0.518 nan 8.150 nan 0.000 0.510 66 Y N -0.167 120.113 120.300 -0.033 0.000 3.978 66 Y HA -0.278 4.272 4.550 -0.000 0.000 0.219 66 Y C 1.276 177.157 175.900 -0.033 0.000 1.153 66 Y CA 0.830 58.916 58.100 -0.024 0.000 1.718 66 Y CB -2.264 36.192 38.460 -0.006 0.000 1.541 66 Y HN 0.681 nan 8.280 nan 0.000 0.640 67 L N 0.070 121.309 121.223 0.027 0.000 2.013 67 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 67 L C 2.324 179.205 176.870 0.017 0.000 1.073 67 L CA 2.108 56.935 54.840 -0.022 0.000 0.753 67 L CB -0.094 41.867 42.059 -0.165 0.000 0.890 67 L HN 0.251 nan 8.230 nan 0.000 0.432 68 E N -0.030 120.177 120.200 0.013 0.000 2.106 68 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 68 E C 2.090 178.733 176.600 0.072 0.000 0.984 68 E CA 1.389 57.810 56.400 0.036 0.000 0.806 68 E CB -0.123 29.590 29.700 0.021 0.000 0.750 68 E HN 0.610 nan 8.360 nan 0.000 0.458 69 E N 0.628 120.888 120.200 0.099 0.000 2.106 69 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 69 E C 2.168 178.817 176.600 0.081 0.000 0.984 69 E CA 0.598 57.058 56.400 0.100 0.000 0.806 69 E CB -0.173 29.613 29.700 0.144 0.000 0.750 69 E HN 0.249 nan 8.360 nan 0.000 0.458 70 I N 0.439 121.062 120.570 0.090 0.000 2.202 70 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 70 I C 2.606 178.779 176.117 0.093 0.000 1.091 70 I CA 1.014 62.353 61.300 0.065 0.000 1.368 70 I CB -0.212 37.824 38.000 0.060 0.000 1.058 70 I HN 0.041 nan 8.210 nan 0.000 0.410 71 R N 1.292 121.883 120.500 0.152 0.000 2.091 71 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 71 R C 2.368 178.820 176.300 0.253 0.000 1.136 71 R CA 1.741 58.016 56.100 0.292 0.000 0.959 71 R CB -0.269 30.157 30.300 0.210 0.000 0.856 71 R HN 0.359 nan 8.270 nan 0.000 0.437 72 A N 0.777 123.681 122.820 0.140 0.000 1.865 72 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 72 A C 2.401 180.047 177.584 0.103 0.000 1.191 72 A CA 1.860 53.959 52.037 0.104 0.000 0.623 72 A CB -0.980 18.061 19.000 0.068 0.000 0.826 72 A HN 0.557 nan 8.150 nan 0.000 0.444 73 A N -0.272 122.595 122.820 0.078 0.000 1.877 73 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 73 A C 2.507 180.124 177.584 0.055 0.000 1.186 73 A CA 2.254 54.322 52.037 0.050 0.000 0.620 73 A CB -1.069 17.944 19.000 0.022 0.000 0.822 73 A HN 1.152 nan 8.150 nan 0.000 0.443 74 A N -0.996 121.856 122.820 0.055 0.000 2.019 74 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 74 A C 2.069 179.757 177.584 0.173 0.000 1.164 74 A CA 1.633 53.659 52.037 -0.017 0.000 0.644 74 A CB -0.462 18.330 19.000 -0.347 0.000 0.805 74 A HN 0.546 nan 8.150 nan 0.000 0.449 75 L N -0.362 121.050 121.223 0.314 0.000 2.109 75 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 75 L C 2.377 179.334 176.870 0.146 0.000 1.086 75 L CA 1.528 56.541 54.840 0.287 0.000 0.760 75 L CB -0.393 41.777 42.059 0.185 0.000 0.910 75 L HN 0.156 nan 8.230 nan 0.000 0.437 76 V N -0.634 119.341 119.914 0.102 0.000 2.427 76 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 76 V C 2.429 178.555 176.094 0.055 0.000 1.051 76 V CA 1.540 63.878 62.300 0.062 0.000 1.048 76 V CB -0.615 31.235 31.823 0.045 0.000 0.666 76 V HN 0.466 nan 8.190 nan 0.000 0.456 77 L N 0.700 121.955 121.223 0.054 0.000 1.994 77 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 77 L C 2.460 179.359 176.870 0.048 0.000 1.071 77 L CA 2.350 57.212 54.840 0.036 0.000 0.745 77 L CB -0.877 41.191 42.059 0.014 0.000 0.892 77 L HN 0.290 nan 8.230 nan 0.000 0.431 78 K N -0.390 120.060 120.400 0.084 0.000 2.044 78 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 78 K C 1.885 178.525 176.600 0.066 0.000 1.049 78 K CA 2.175 58.520 56.287 0.096 0.000 0.927 78 K CB -0.214 32.399 32.500 0.188 0.000 0.713 78 K HN 0.568 nan 8.250 nan 0.000 0.443 79 E N -0.147 120.091 120.200 0.063 0.000 2.106 79 E HA -0.213 4.136 4.350 -0.000 0.000 0.192 79 E C 2.178 178.796 176.600 0.030 0.000 0.984 79 E CA 0.928 57.352 56.400 0.041 0.000 0.806 79 E CB -0.080 29.643 29.700 0.038 0.000 0.750 79 E HN 0.189 nan 8.360 nan 0.000 0.458 80 R N 1.295 121.813 120.500 0.030 0.000 2.081 80 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 80 R C 2.099 178.410 176.300 0.017 0.000 1.131 80 R CA 1.195 57.307 56.100 0.021 0.000 0.960 80 R CB -0.361 29.950 30.300 0.019 0.000 0.856 80 R HN 0.151 nan 8.270 nan 0.000 0.436 81 L N -0.466 120.768 121.223 0.018 0.000 2.072 81 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 81 L C 2.460 179.337 176.870 0.011 0.000 1.079 81 L CA 1.151 55.997 54.840 0.011 0.000 0.752 81 L CB -0.635 41.429 42.059 0.009 0.000 0.906 81 L HN 0.317 nan 8.230 nan 0.000 0.436 82 A N 0.117 122.948 122.820 0.018 0.000 2.019 82 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 82 A C 2.382 179.974 177.584 0.014 0.000 1.164 82 A CA 1.571 53.618 52.037 0.016 0.000 0.644 82 A CB -0.483 18.530 19.000 0.021 0.000 0.805 82 A HN 0.400 nan 8.150 nan 0.000 0.449 83 A N -0.778 122.051 122.820 0.015 0.000 2.169 83 A HA 0.379 4.699 4.320 -0.000 0.000 0.212 83 A C 0.945 178.537 177.584 0.014 0.000 1.153 83 A CA -0.163 51.883 52.037 0.014 0.000 0.756 83 A CB -0.362 18.646 19.000 0.014 0.000 0.813 83 A HN 0.439 nan 8.150 nan 0.000 0.471 84 L N 1.768 122.998 121.223 0.013 0.000 2.485 84 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 84 L C -1.802 175.078 176.870 0.017 0.000 1.207 84 L CA -1.510 53.339 54.840 0.015 0.000 0.855 84 L CB 0.274 42.341 42.059 0.012 0.000 1.114 84 L HN 0.187 nan 8.230 nan 0.000 0.485 85 P HA 0.059 nan 4.420 nan 0.000 0.271 85 P C -0.745 176.571 177.300 0.027 0.000 1.216 85 P CA -0.289 62.825 63.100 0.023 0.000 0.776 85 P CB 0.564 32.279 31.700 0.025 0.000 0.881 86 E N 0.756 120.971 120.200 0.025 0.000 2.415 86 E HA 0.252 4.602 4.350 -0.000 0.000 0.262 86 E C 1.158 177.782 176.600 0.040 0.000 1.038 86 E CA 0.785 57.202 56.400 0.028 0.000 0.921 86 E CB -0.093 29.622 29.700 0.025 0.000 0.950 86 E HN 0.812 nan 8.360 nan 0.000 0.438 87 G N 1.482 110.313 108.800 0.052 0.000 2.195 87 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.224 87 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.224 87 G C 0.050 175.010 174.900 0.099 0.000 0.990 87 G CA -0.103 45.041 45.100 0.074 0.000 0.639 87 G HN 0.412 nan 8.290 nan 0.000 0.514 88 V N 1.822 121.785 119.914 0.082 0.000 2.364 88 V HA 0.552 4.672 4.120 -0.000 0.000 0.272 88 V C 0.211 176.372 176.094 0.111 0.000 1.036 88 V CA -0.654 61.705 62.300 0.100 0.000 0.880 88 V CB 1.149 33.010 31.823 0.065 0.000 0.991 88 V HN 0.341 nan 8.190 nan 0.000 0.460 89 F N 9.440 129.389 119.950 -0.002 0.000 2.471 89 F HA 0.408 4.935 4.527 -0.000 0.000 0.365 89 F C -1.809 173.962 175.800 -0.048 0.000 1.095 89 F CA -1.819 56.162 58.000 -0.032 0.000 1.174 89 F CB 0.983 39.936 39.000 -0.078 0.000 1.105 89 F HN 0.328 nan 8.300 nan 0.000 0.535 90 P HA 0.319 nan 4.420 nan 0.000 0.294 90 P C -0.949 176.315 177.300 -0.060 0.000 1.294 90 P CA -0.221 62.832 63.100 -0.077 0.000 0.827 90 P CB 2.011 33.651 31.700 -0.099 0.000 0.992 91 I N 3.105 123.703 120.570 0.047 0.000 2.410 91 I HA 0.255 4.425 4.170 -0.000 0.000 0.286 91 I C -0.182 175.935 176.117 0.000 0.000 1.009 91 I CA -1.094 60.234 61.300 0.047 0.000 1.111 91 I CB 2.198 40.240 38.000 0.069 0.000 1.262 91 I HN -0.013 nan 8.210 nan 0.000 0.443 92 V N 7.221 127.125 119.914 -0.016 0.000 2.394 92 V HA 0.402 4.522 4.120 -0.000 0.000 0.282 92 V C 0.177 176.249 176.094 -0.038 0.000 1.031 92 V CA -0.542 61.747 62.300 -0.018 0.000 0.881 92 V CB 1.540 33.361 31.823 -0.003 0.000 0.982 92 V HN 0.469 nan 8.190 nan 0.000 0.451 93 L N 4.710 125.909 121.223 -0.039 0.000 2.307 93 L HA 0.877 5.217 4.340 -0.000 0.000 0.282 93 L C 0.707 177.546 176.870 -0.052 0.000 1.051 93 L CA -0.023 54.786 54.840 -0.051 0.000 0.804 93 L CB 1.356 43.389 42.059 -0.044 0.000 1.197 93 L HN 0.788 nan 8.230 nan 0.000 0.431 94 G N 0.873 109.632 108.800 -0.069 0.000 2.866 94 G HA2 0.660 4.620 3.960 -0.000 0.000 0.289 94 G HA3 0.660 4.620 3.960 -0.000 0.000 0.289 94 G C -0.374 174.485 174.900 -0.068 0.000 1.396 94 G CA 0.044 45.105 45.100 -0.064 0.000 0.848 94 G HN 0.690 nan 8.290 nan 0.000 0.515 95 G N -1.108 107.657 108.800 -0.059 0.000 3.374 95 G HA2 0.401 4.361 3.960 -0.000 0.000 0.200 95 G HA3 0.401 4.361 3.960 -0.000 0.000 0.200 95 G C -0.468 174.391 174.900 -0.069 0.000 1.801 95 G CA -0.221 44.842 45.100 -0.062 0.000 0.842 95 G HN 0.511 nan 8.290 nan 0.000 0.688 96 D N -0.089 120.283 120.400 -0.047 0.000 2.548 96 D HA -0.013 4.627 4.640 -0.000 0.000 0.231 96 D C 0.788 177.126 176.300 0.064 0.000 1.142 96 D CA 0.480 54.473 54.000 -0.012 0.000 0.866 96 D CB 0.836 41.675 40.800 0.064 0.000 1.190 96 D HN 0.510 nan 8.370 nan 0.000 0.469 97 H N 0.622 119.698 119.070 0.010 0.000 2.546 97 H HA -0.059 4.497 4.556 -0.000 0.000 0.277 97 H C 1.534 176.924 175.328 0.103 0.000 1.004 97 H CA 0.245 56.318 56.048 0.042 0.000 1.231 97 H CB 0.510 30.337 29.762 0.108 0.000 1.382 97 H HN 0.215 nan 8.280 nan 0.000 0.580 98 S N 0.670 116.508 115.700 0.231 0.000 2.419 98 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 98 S C 2.027 176.641 174.600 0.023 0.000 1.019 98 S CA 1.154 59.424 58.200 0.116 0.000 0.982 98 S CB -0.226 63.029 63.200 0.091 0.000 0.789 98 S HN 0.496 nan 8.310 nan 0.000 0.490 99 L N 0.474 121.721 121.223 0.040 0.000 2.265 99 L HA 0.105 4.445 4.340 -0.000 0.000 0.215 99 L C 1.804 178.659 176.870 -0.024 0.000 1.117 99 L CA 1.337 56.165 54.840 -0.020 0.000 0.782 99 L CB -1.155 40.902 42.059 -0.003 0.000 0.914 99 L HN -0.044 nan 8.230 nan 0.000 0.441 100 S N -0.191 115.555 115.700 0.076 0.000 2.447 100 S HA -0.005 4.465 4.470 -0.000 0.000 0.233 100 S C 1.847 176.439 174.600 -0.014 0.000 1.006 100 S CA 1.536 59.795 58.200 0.099 0.000 0.957 100 S CB -0.431 62.930 63.200 0.268 0.000 0.773 100 S HN 0.518 nan 8.310 nan 0.000 0.507 101 M N 0.638 120.145 119.600 -0.155 0.000 2.159 101 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 101 M C 2.422 178.465 176.300 -0.428 0.000 1.063 101 M CA 1.634 56.719 55.300 -0.358 0.000 1.110 101 M CB -0.696 31.458 32.600 -0.742 0.000 1.374 101 M HN 0.451 nan 8.290 nan 0.000 0.411 102 G N -0.384 108.154 108.800 -0.437 0.000 2.426 102 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.214 102 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.214 102 G C 1.642 176.516 174.900 -0.043 0.000 1.156 102 G CA 0.791 45.782 45.100 -0.181 0.000 0.802 102 G HN 0.541 nan 8.290 nan 0.000 0.534 103 S N 0.474 116.144 115.700 -0.050 0.000 2.368 103 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 103 S C 2.274 176.827 174.600 -0.079 0.000 1.029 103 S CA 1.358 59.551 58.200 -0.011 0.000 0.988 103 S CB -0.445 62.788 63.200 0.055 0.000 0.838 103 S HN 0.066 nan 8.310 nan 0.000 0.462 104 V N 2.577 122.377 119.914 -0.190 0.000 2.323 104 V HA -0.015 4.105 4.120 -0.000 0.000 0.244 104 V C 3.176 179.195 176.094 -0.123 0.000 1.041 104 V CA 1.533 63.624 62.300 -0.348 0.000 1.025 104 V CB -1.486 30.154 31.823 -0.305 0.000 0.656 104 V HN 0.656 nan 8.190 nan 0.000 0.451 105 A N 0.621 123.427 122.820 -0.023 0.000 1.902 105 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 105 A C 2.395 180.003 177.584 0.039 0.000 1.181 105 A CA 2.034 54.102 52.037 0.051 0.000 0.623 105 A CB -1.204 17.902 19.000 0.177 0.000 0.818 105 A HN 0.520 nan 8.150 nan 0.000 0.443 106 G N -0.730 108.092 108.800 0.037 0.000 2.404 106 G HA2 0.075 4.035 3.960 -0.000 0.000 0.215 106 G HA3 0.075 4.035 3.960 -0.000 0.000 0.215 106 G C 1.696 176.602 174.900 0.010 0.000 1.174 106 G CA 1.226 46.345 45.100 0.032 0.000 0.780 106 G HN 0.812 nan 8.290 nan 0.000 0.537 107 A N 0.908 123.725 122.820 -0.006 0.000 2.067 107 A HA 0.409 4.729 4.320 -0.000 0.000 0.219 107 A C 2.674 180.255 177.584 -0.005 0.000 1.158 107 A CA 1.791 53.824 52.037 -0.006 0.000 0.661 107 A CB -0.458 18.559 19.000 0.029 0.000 0.801 107 A HN 0.677 nan 8.150 nan 0.000 0.452 108 A N -0.690 122.125 122.820 -0.009 0.000 1.969 108 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 108 A C 1.373 178.962 177.584 0.008 0.000 1.169 108 A CA 0.986 53.024 52.037 0.002 0.000 0.635 108 A CB -0.341 18.659 19.000 -0.000 0.000 0.810 108 A HN 0.538 nan 8.150 nan 0.000 0.445 109 R N -2.541 117.964 120.500 0.009 0.000 3.525 109 R HA -0.224 4.116 4.340 -0.000 0.000 0.276 109 R C 1.033 177.339 176.300 0.011 0.000 1.116 109 R CA 0.426 56.533 56.100 0.010 0.000 0.745 109 R CB -2.493 27.812 30.300 0.009 0.000 1.185 109 R HN 1.605 nan 8.270 nan 0.000 0.454 110 G N -0.421 108.386 108.800 0.012 0.000 2.220 110 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.269 110 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.269 110 G C 0.281 175.187 174.900 0.011 0.000 0.977 110 G CA 0.926 46.032 45.100 0.010 0.000 0.634 110 G HN 0.465 nan 8.290 nan 0.000 0.539 111 R N 0.496 121.003 120.500 0.012 0.000 2.596 111 R HA 0.679 5.019 4.340 -0.000 0.000 0.267 111 R C 0.634 176.943 176.300 0.016 0.000 1.026 111 R CA -1.354 54.754 56.100 0.013 0.000 1.087 111 R CB 0.328 30.637 30.300 0.015 0.000 1.132 111 R HN 0.255 nan 8.270 nan 0.000 0.531 112 R N 1.919 122.429 120.500 0.016 0.000 2.370 112 R HA 0.289 4.629 4.340 -0.000 0.000 0.309 112 R C -0.776 175.540 176.300 0.027 0.000 1.059 112 R CA -0.155 55.957 56.100 0.019 0.000 0.981 112 R CB -0.028 30.280 30.300 0.014 0.000 0.972 112 R HN 0.464 nan 8.270 nan 0.000 0.437 113 V N 1.243 121.178 119.914 0.035 0.000 2.823 113 V HA 0.790 4.910 4.120 -0.000 0.000 0.312 113 V C 0.047 176.183 176.094 0.069 0.000 1.072 113 V CA -0.849 61.483 62.300 0.052 0.000 0.937 113 V CB 1.886 33.744 31.823 0.057 0.000 1.013 113 V HN 0.782 nan 8.190 nan 0.000 0.430 114 G N 1.503 110.355 108.800 0.087 0.000 2.377 114 G HA2 0.586 4.546 3.960 -0.000 0.000 0.299 114 G HA3 0.586 4.546 3.960 -0.000 0.000 0.299 114 G C -0.890 174.104 174.900 0.158 0.000 1.150 114 G CA -0.632 44.533 45.100 0.108 0.000 0.847 114 G HN 1.060 nan 8.290 nan 0.000 0.501 115 V N 2.143 122.168 119.914 0.185 0.000 2.384 115 V HA 0.320 4.440 4.120 -0.000 0.000 0.287 115 V C -0.193 176.071 176.094 0.284 0.000 1.020 115 V CA -0.656 61.804 62.300 0.267 0.000 0.850 115 V CB 1.697 33.690 31.823 0.283 0.000 0.987 115 V HN 0.506 nan 8.190 nan 0.000 0.436 116 V N 4.641 124.725 119.914 0.283 0.000 2.294 116 V HA 0.282 4.402 4.120 -0.000 0.000 0.272 116 V C -0.370 175.906 176.094 0.303 0.000 1.027 116 V CA -0.506 61.942 62.300 0.247 0.000 0.823 116 V CB 1.170 33.084 31.823 0.152 0.000 1.030 116 V HN 0.904 nan 8.190 nan 0.000 0.457 117 W N 6.058 127.436 121.300 0.129 0.000 2.317 117 W HA 0.485 5.145 4.660 0.000 0.000 0.327 117 W C -0.844 175.750 176.519 0.124 0.000 1.036 117 W CA -0.481 56.951 57.345 0.145 0.000 1.419 117 W CB 1.677 31.214 29.460 0.128 0.000 1.253 117 W HN 0.352 nan 8.180 nan 0.000 0.392 118 V N 6.629 126.604 119.914 0.102 0.000 2.320 118 V HA 0.243 4.363 4.120 -0.000 0.000 0.265 118 V C -0.102 176.018 176.094 0.042 0.000 1.048 118 V CA -0.024 62.318 62.300 0.070 0.000 0.865 118 V CB 0.866 32.686 31.823 -0.006 0.000 1.043 118 V HN 0.409 nan 8.190 nan 0.000 0.474 119 D N 3.088 123.579 120.400 0.152 0.000 2.623 119 D HA 0.511 5.151 4.640 -0.000 0.000 0.241 119 D C 0.470 176.858 176.300 0.145 0.000 1.241 119 D CA -0.046 54.064 54.000 0.184 0.000 0.788 119 D CB 2.699 43.745 40.800 0.411 0.000 1.413 119 D HN 0.353 nan 8.370 nan 0.000 0.429 120 A N 1.349 124.208 122.820 0.065 0.000 2.123 120 A HA 0.096 4.416 4.320 -0.000 0.000 0.214 120 A C 0.311 177.732 177.584 -0.272 0.000 1.152 120 A CA 1.087 53.044 52.037 -0.133 0.000 0.728 120 A CB -0.302 18.546 19.000 -0.254 0.000 0.814 120 A HN 0.554 nan 8.150 nan 0.000 0.464 121 H N -3.565 115.620 119.070 0.192 0.000 2.710 121 H HA 0.651 5.207 4.556 -0.000 0.000 0.361 121 H C 0.891 176.364 175.328 0.242 0.000 1.175 121 H CA -0.104 56.061 56.048 0.194 0.000 1.206 121 H CB 1.739 31.622 29.762 0.202 0.000 1.750 121 H HN 0.034 nan 8.280 nan 0.000 0.553 122 A N 0.081 123.068 122.820 0.279 0.000 2.147 122 A HA 0.038 4.358 4.320 -0.000 0.000 0.211 122 A C 0.200 177.822 177.584 0.063 0.000 1.160 122 A CA 0.430 52.543 52.037 0.128 0.000 0.781 122 A CB -0.170 18.849 19.000 0.032 0.000 0.842 122 A HN 0.855 nan 8.150 nan 0.000 0.475 123 D N -2.256 118.250 120.400 0.177 0.000 2.737 123 D HA -0.202 4.438 4.640 -0.000 0.000 0.233 123 D C -0.206 176.095 176.300 0.001 0.000 1.155 123 D CA 0.839 54.897 54.000 0.097 0.000 0.667 123 D CB -1.488 39.392 40.800 0.134 0.000 1.060 123 D HN 0.484 nan 8.370 nan 0.000 0.427 124 F N 0.735 120.609 119.950 -0.125 0.000 2.850 124 F HA 0.240 4.767 4.527 -0.000 0.000 0.306 124 F C 0.806 176.560 175.800 -0.078 0.000 1.162 124 F CA -0.505 57.411 58.000 -0.140 0.000 1.327 124 F CB 0.107 39.023 39.000 -0.141 0.000 0.953 124 F HN -0.193 nan 8.300 nan 0.000 0.507 125 N N -0.398 118.285 118.700 -0.028 0.000 2.493 125 N HA 0.424 5.164 4.740 -0.000 0.000 0.275 125 N C 0.021 175.463 175.510 -0.112 0.000 1.186 125 N CA -0.065 52.961 53.050 -0.040 0.000 0.978 125 N CB 0.946 39.426 38.487 -0.012 0.000 1.184 125 N HN 0.143 nan 8.380 nan 0.000 0.487 126 T N -2.525 111.980 114.554 -0.080 0.000 2.910 126 T HA 0.394 4.744 4.350 -0.000 0.000 0.287 126 T C -2.222 172.457 174.700 -0.036 0.000 1.050 126 T CA -1.865 60.188 62.100 -0.078 0.000 1.011 126 T CB 1.770 70.590 68.868 -0.080 0.000 1.195 126 T HN 0.114 nan 8.240 nan 0.000 0.540 127 P HA -0.055 nan 4.420 nan 0.000 0.218 127 P C 1.019 178.316 177.300 -0.004 0.000 1.148 127 P CA 1.044 64.147 63.100 0.005 0.000 0.822 127 P CB 0.083 31.812 31.700 0.050 0.000 0.784 128 E N -1.195 118.998 120.200 -0.011 0.000 2.072 128 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 128 E C 1.990 178.585 176.600 -0.007 0.000 0.982 128 E CA 1.813 58.207 56.400 -0.010 0.000 0.803 128 E CB -1.489 28.203 29.700 -0.015 0.000 0.755 128 E HN 0.352 nan 8.360 nan 0.000 0.453 129 T N -2.974 111.575 114.554 -0.008 0.000 3.085 129 T HA 0.211 4.561 4.350 -0.000 0.000 0.263 129 T C 0.709 175.411 174.700 0.004 0.000 1.127 129 T CA 0.399 62.500 62.100 0.002 0.000 1.103 129 T CB 0.105 68.978 68.868 0.010 0.000 0.921 129 T HN 0.050 nan 8.240 nan 0.000 0.510 133 G N 1.174 109.948 108.800 -0.044 0.000 2.162 133 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 133 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 133 G C -0.116 174.725 174.900 -0.099 0.000 0.976 133 G CA 0.213 45.278 45.100 -0.057 0.000 0.655 133 G HN 0.789 nan 8.290 nan 0.000 0.533 134 N N -0.009 118.597 118.700 -0.157 0.000 2.452 134 N HA 0.314 5.054 4.740 -0.000 0.000 0.266 134 N C 1.584 176.891 175.510 -0.338 0.000 1.209 134 N CA -0.097 52.746 53.050 -0.344 0.000 0.929 134 N CB 1.396 39.521 38.487 -0.603 0.000 1.063 134 N HN 0.019 nan 8.380 nan 0.000 0.472 135 V N 2.184 121.943 119.914 -0.259 0.000 2.626 135 V HA -0.218 3.902 4.120 -0.000 0.000 0.252 135 V C 1.524 177.567 176.094 -0.086 0.000 1.067 135 V CA 1.504 63.727 62.300 -0.128 0.000 1.081 135 V CB -1.002 30.795 31.823 -0.043 0.000 0.686 135 V HN 0.799 nan 8.190 nan 0.000 0.468 136 H N 0.010 119.103 119.070 0.038 0.000 2.567 136 H HA 0.198 4.754 4.556 -0.000 0.000 0.276 136 H C 1.649 177.018 175.328 0.069 0.000 1.016 136 H CA 0.852 56.938 56.048 0.064 0.000 1.186 136 H CB -0.586 29.219 29.762 0.071 0.000 1.351 136 H HN 0.314 nan 8.280 nan 0.000 0.605 137 G N -0.274 108.553 108.800 0.045 0.000 3.324 137 G HA2 0.210 4.170 3.960 -0.000 0.000 0.251 137 G HA3 0.210 4.170 3.960 -0.000 0.000 0.251 137 G C 0.751 175.659 174.900 0.013 0.000 1.072 137 G CA -0.115 45.026 45.100 0.069 0.000 0.787 137 G HN 0.466 nan 8.290 nan 0.000 0.537 138 M N 0.280 119.867 119.600 -0.020 0.000 2.289 138 M HA 0.203 4.683 4.480 -0.000 0.000 0.335 138 M C -1.233 174.995 176.300 -0.121 0.000 0.961 138 M CA -0.525 54.724 55.300 -0.085 0.000 1.018 138 M CB 0.856 33.406 32.600 -0.083 0.000 1.678 138 M HN -0.115 nan 8.290 nan 0.000 0.589 139 P HA -0.198 nan 4.420 nan 0.000 0.216 139 P C 1.608 178.777 177.300 -0.218 0.000 1.153 139 P CA 1.300 64.356 63.100 -0.073 0.000 0.858 139 P CB 0.103 31.849 31.700 0.076 0.000 0.789 140 L N -0.167 120.773 121.223 -0.472 0.000 2.093 140 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 140 L C 2.556 179.184 176.870 -0.402 0.000 1.085 140 L CA 1.814 56.264 54.840 -0.650 0.000 0.755 140 L CB -1.639 39.770 42.059 -1.083 0.000 0.904 140 L HN -0.081 nan 8.230 nan 0.000 0.435 141 A N -1.210 121.258 122.820 -0.587 0.000 1.873 141 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 141 A C 2.265 179.569 177.584 -0.466 0.000 1.186 141 A CA 1.899 53.347 52.037 -0.982 0.000 0.616 141 A CB -1.059 17.390 19.000 -0.918 0.000 0.823 141 A HN 0.262 nan 8.150 nan 0.000 0.442 142 V N 0.231 119.984 119.914 -0.268 0.000 2.255 142 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 142 V C 2.575 178.631 176.094 -0.063 0.000 1.051 142 V CA 2.100 64.334 62.300 -0.110 0.000 1.018 142 V CB -0.835 30.978 31.823 -0.017 0.000 0.641 142 V HN 0.581 nan 8.190 nan 0.000 0.445 143 L N -0.023 121.157 121.223 -0.072 0.000 2.127 143 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 143 L C 2.223 179.078 176.870 -0.025 0.000 1.089 143 L CA 1.581 56.409 54.840 -0.021 0.000 0.757 143 L CB -0.458 41.581 42.059 -0.033 0.000 0.899 143 L HN 0.297 nan 8.230 nan 0.000 0.434 144 S N -0.628 115.030 115.700 -0.070 0.000 2.631 144 S HA 0.178 4.648 4.470 -0.000 0.000 0.217 144 S C 1.328 175.902 174.600 -0.043 0.000 0.958 144 S CA 0.636 58.823 58.200 -0.022 0.000 0.920 144 S CB 0.390 63.622 63.200 0.054 0.000 0.776 144 S HN 0.655 nan 8.310 nan 0.000 0.517 145 G N 1.240 110.002 108.800 -0.062 0.000 2.132 145 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.234 145 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.234 145 G C -0.206 174.645 174.900 -0.082 0.000 0.989 145 G CA -0.258 44.812 45.100 -0.051 0.000 0.676 145 G HN 0.455 nan 8.290 nan 0.000 0.522 146 L N -0.171 120.962 121.223 -0.150 0.000 2.341 146 L HA 0.788 5.128 4.340 -0.000 0.000 0.278 146 L C 0.845 177.618 176.870 -0.162 0.000 1.005 146 L CA -0.080 54.657 54.840 -0.172 0.000 0.818 146 L CB 1.775 43.672 42.059 -0.270 0.000 1.259 146 L HN 0.964 nan 8.230 nan 0.000 0.418 147 G N 0.784 109.522 108.800 -0.103 0.000 2.270 147 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.268 147 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.268 147 G C -1.264 173.627 174.900 -0.015 0.000 1.312 147 G CA -0.853 44.212 45.100 -0.059 0.000 1.050 147 G HN 0.710 nan 8.290 nan 0.000 0.474 148 H N 1.870 120.914 119.070 -0.043 0.000 2.964 148 H HA 0.359 4.915 4.556 -0.000 0.000 0.328 148 H C -1.091 174.225 175.328 -0.020 0.000 1.030 148 H CA 0.173 56.205 56.048 -0.026 0.000 1.445 148 H CB 1.314 31.068 29.762 -0.013 0.000 1.449 148 H HN 0.142 nan 8.280 nan 0.000 0.581 149 P HA -0.196 nan 4.420 nan 0.000 0.216 149 P C 1.329 178.659 177.300 0.050 0.000 1.150 149 P CA 1.152 64.197 63.100 -0.092 0.000 0.837 149 P CB 0.306 31.898 31.700 -0.180 0.000 0.786 150 R N -0.894 119.769 120.500 0.272 0.000 2.193 150 R HA -0.014 4.326 4.340 -0.000 0.000 0.229 150 R C 2.075 178.438 176.300 0.105 0.000 1.110 150 R CA 0.998 57.218 56.100 0.201 0.000 0.988 150 R CB -1.083 29.364 30.300 0.244 0.000 0.871 150 R HN 0.344 nan 8.270 nan 0.000 0.458 151 L N -0.720 120.607 121.223 0.172 0.000 2.269 151 L HA -0.009 4.331 4.340 -0.000 0.000 0.200 151 L C 2.379 179.328 176.870 0.133 0.000 1.069 151 L CA 1.204 56.172 54.840 0.213 0.000 0.804 151 L CB -0.739 41.475 42.059 0.259 0.000 0.987 151 L HN 0.156 nan 8.230 nan 0.000 0.468 152 T N -1.743 112.858 114.554 0.079 0.000 2.881 152 T HA -0.211 4.139 4.350 -0.000 0.000 0.270 152 T C 1.480 176.160 174.700 -0.033 0.000 1.068 152 T CA 1.339 63.456 62.100 0.029 0.000 1.131 152 T CB -0.470 68.395 68.868 -0.004 0.000 0.871 152 T HN 0.564 nan 8.240 nan 0.000 0.479 153 E N 1.694 121.854 120.200 -0.068 0.000 2.409 153 E HA -0.029 4.321 4.350 -0.000 0.000 0.198 153 E C 1.831 178.325 176.600 -0.177 0.000 1.024 153 E CA 1.173 57.513 56.400 -0.101 0.000 0.861 153 E CB -0.330 29.318 29.700 -0.086 0.000 0.788 153 E HN 0.658 nan 8.360 nan 0.000 0.521 154 V N -4.179 115.539 119.914 -0.327 0.000 3.426 154 V HA 0.273 4.393 4.120 -0.000 0.000 0.279 154 V C 0.822 176.604 176.094 -0.521 0.000 1.544 154 V CA -0.398 61.597 62.300 -0.507 0.000 1.017 154 V CB -0.342 31.021 31.823 -0.766 0.000 0.821 154 V HN 0.091 nan 8.190 nan 0.000 0.432 155 F N 0.885 120.831 119.950 -0.006 0.000 2.728 155 F HA 0.506 5.033 4.527 -0.000 0.000 0.314 155 F C 1.230 177.018 175.800 -0.020 0.000 1.094 155 F CA -1.192 56.802 58.000 -0.010 0.000 1.217 155 F CB 0.063 39.060 39.000 -0.005 0.000 1.056 155 F HN -0.001 nan 8.300 nan 0.000 0.577 156 R N 1.452 122.016 120.500 0.107 0.000 2.484 156 R HA 0.353 4.693 4.340 -0.000 0.000 0.293 156 R C 0.484 176.814 176.300 0.049 0.000 1.023 156 R CA 0.928 57.060 56.100 0.053 0.000 1.037 156 R CB 0.419 30.727 30.300 0.013 0.000 0.951 156 R HN 0.229 nan 8.270 nan 0.000 0.418 157 A N 4.041 126.887 122.820 0.043 0.000 2.732 157 A HA 0.178 4.498 4.320 -0.000 0.000 0.201 157 A C -0.765 176.834 177.584 0.025 0.000 1.390 157 A CA -0.127 51.931 52.037 0.034 0.000 1.064 157 A CB 0.754 19.780 19.000 0.043 0.000 1.348 157 A HN 0.473 nan 8.150 nan 0.000 0.565 158 V N 0.098 120.028 119.914 0.026 0.000 3.007 158 V HA 0.522 4.642 4.120 -0.000 0.000 0.311 158 V C -1.867 174.248 176.094 0.035 0.000 1.120 158 V CA -0.722 61.597 62.300 0.032 0.000 0.980 158 V CB 2.049 33.898 31.823 0.044 0.000 1.033 158 V HN 0.286 nan 8.190 nan 0.000 0.429 159 D N 4.296 124.718 120.400 0.037 0.000 2.210 159 D HA 0.426 5.066 4.640 -0.000 0.000 0.249 159 D C -1.885 174.448 176.300 0.054 0.000 1.062 159 D CA -1.712 52.311 54.000 0.038 0.000 0.891 159 D CB 2.587 43.402 40.800 0.025 0.000 1.186 159 D HN 0.311 nan 8.370 nan 0.000 0.432 160 P HA -0.140 nan 4.420 nan 0.000 0.217 160 P C 0.615 177.955 177.300 0.065 0.000 1.148 160 P CA 1.500 64.646 63.100 0.077 0.000 0.834 160 P CB 0.326 32.080 31.700 0.090 0.000 0.783 161 K N -1.275 119.162 120.400 0.060 0.000 2.459 161 K HA -0.007 4.313 4.320 -0.000 0.000 0.193 161 K C 0.493 177.125 176.600 0.054 0.000 1.030 161 K CA 0.628 56.962 56.287 0.078 0.000 1.026 161 K CB -0.052 32.457 32.500 0.015 0.000 0.809 161 K HN 0.120 nan 8.250 nan 0.000 0.504 162 D N 0.478 120.910 120.400 0.054 0.000 2.388 162 D HA 0.054 4.694 4.640 -0.000 0.000 0.221 162 D C -0.568 175.804 176.300 0.119 0.000 1.133 162 D CA 0.195 54.229 54.000 0.056 0.000 0.831 162 D CB 0.677 41.500 40.800 0.038 0.000 0.962 162 D HN -0.156 nan 8.370 nan 0.000 0.502 163 V N 0.745 120.743 119.914 0.140 0.000 2.628 163 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 163 V C -0.067 176.113 176.094 0.144 0.000 1.045 163 V CA -0.781 61.601 62.300 0.135 0.000 0.905 163 V CB 2.776 34.640 31.823 0.068 0.000 0.997 163 V HN -0.235 nan 8.190 nan 0.000 0.436 164 V N 5.675 125.690 119.914 0.167 0.000 2.569 164 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 164 V C -0.519 175.687 176.094 0.187 0.000 1.044 164 V CA -0.460 61.929 62.300 0.150 0.000 0.874 164 V CB 1.863 33.818 31.823 0.220 0.000 1.002 164 V HN 0.646 nan 8.190 nan 0.000 0.424 165 L N 4.958 126.256 121.223 0.126 0.000 2.307 165 L HA 0.734 5.074 4.340 -0.000 0.000 0.282 165 L C -0.697 176.308 176.870 0.225 0.000 1.051 165 L CA -0.601 54.346 54.840 0.179 0.000 0.804 165 L CB 1.832 43.931 42.059 0.066 0.000 1.197 165 L HN 0.400 nan 8.230 nan 0.000 0.431 166 V N 1.613 121.663 119.914 0.227 0.000 2.623 166 V HA 0.614 4.734 4.120 -0.000 0.000 0.304 166 V C 0.560 176.735 176.094 0.135 0.000 1.054 166 V CA 0.041 62.455 62.300 0.189 0.000 0.882 166 V CB 1.398 33.295 31.823 0.122 0.000 1.002 166 V HN 0.967 nan 8.190 nan 0.000 0.424 167 G N 3.624 112.491 108.800 0.113 0.000 2.157 167 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.239 167 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.239 167 G C 0.103 175.038 174.900 0.059 0.000 0.982 167 G CA -0.045 45.097 45.100 0.071 0.000 0.650 167 G HN 0.824 nan 8.290 nan 0.000 0.527 168 V N 1.565 121.524 119.914 0.076 0.000 2.673 168 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 168 V C 1.511 177.613 176.094 0.013 0.000 1.046 168 V CA 1.376 63.701 62.300 0.043 0.000 1.126 168 V CB 1.112 32.966 31.823 0.053 0.000 0.934 168 V HN 0.697 nan 8.190 nan 0.000 0.487 169 R N 1.798 122.278 120.500 -0.034 0.000 2.519 169 R HA 0.329 4.669 4.340 -0.000 0.000 0.375 169 R C 0.048 176.325 176.300 -0.037 0.000 0.926 169 R CA -0.085 55.999 56.100 -0.026 0.000 1.166 169 R CB 0.672 30.956 30.300 -0.027 0.000 1.626 169 R HN 0.528 nan 8.270 nan 0.000 0.529 170 S N 1.190 116.859 115.700 -0.053 0.000 2.706 170 S HA 0.570 5.040 4.470 -0.000 0.000 0.270 170 S C -1.343 173.311 174.600 0.090 0.000 1.163 170 S CA -0.595 57.611 58.200 0.009 0.000 1.042 170 S CB 0.892 64.086 63.200 -0.010 0.000 1.079 170 S HN 0.272 nan 8.310 nan 0.000 0.474 171 L N 3.251 124.523 121.223 0.081 0.000 2.388 171 L HA 0.641 4.981 4.340 -0.000 0.000 0.264 171 L C -0.690 176.226 176.870 0.076 0.000 0.998 171 L CA -1.058 53.835 54.840 0.088 0.000 0.817 171 L CB 2.061 44.148 42.059 0.046 0.000 1.338 171 L HN 0.525 nan 8.230 nan 0.000 0.414 172 D N 1.569 122.016 120.400 0.079 0.000 2.253 172 D HA 0.219 4.859 4.640 -0.000 0.000 0.249 172 D C -1.729 174.597 176.300 0.043 0.000 1.049 172 D CA -1.406 52.630 54.000 0.060 0.000 0.929 172 D CB 1.849 42.684 40.800 0.059 0.000 1.176 172 D HN 0.203 nan 8.370 nan 0.000 0.437 173 P HA -0.132 nan 4.420 nan 0.000 0.215 173 P C 1.397 178.712 177.300 0.025 0.000 1.157 173 P CA 1.388 64.501 63.100 0.022 0.000 0.874 173 P CB 0.212 31.923 31.700 0.018 0.000 0.790 174 G N -0.328 108.489 108.800 0.030 0.000 2.422 174 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 174 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 174 G C 1.509 176.443 174.900 0.056 0.000 1.146 174 G CA 0.566 45.686 45.100 0.034 0.000 0.769 174 G HN 0.272 nan 8.290 nan 0.000 0.547 175 E N 0.427 120.669 120.200 0.070 0.000 2.085 175 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 175 E C 2.561 179.206 176.600 0.075 0.000 0.994 175 E CA 1.045 57.513 56.400 0.112 0.000 0.801 175 E CB -0.071 29.695 29.700 0.109 0.000 0.743 175 E HN 0.407 nan 8.360 nan 0.000 0.453 176 K N 0.424 120.842 120.400 0.030 0.000 2.032 176 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 176 K C 2.257 178.853 176.600 -0.007 0.000 1.048 176 K CA 1.115 57.397 56.287 -0.007 0.000 0.927 176 K CB -0.176 32.318 32.500 -0.009 0.000 0.712 176 K HN 0.034 nan 8.250 nan 0.000 0.441 177 R N 0.864 121.373 120.500 0.016 0.000 2.080 177 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 177 R C 2.471 178.794 176.300 0.039 0.000 1.137 177 R CA 1.352 57.463 56.100 0.018 0.000 0.943 177 R CB -0.488 29.825 30.300 0.022 0.000 0.846 177 R HN 0.175 nan 8.270 nan 0.000 0.431 178 L N 0.652 121.931 121.223 0.093 0.000 2.046 178 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 178 L C 2.474 179.448 176.870 0.173 0.000 1.077 178 L CA 1.257 56.209 54.840 0.188 0.000 0.747 178 L CB -0.487 41.754 42.059 0.303 0.000 0.896 178 L HN 0.231 nan 8.230 nan 0.000 0.432 179 L N -0.411 120.807 121.223 -0.009 0.000 2.046 179 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 179 L C 2.712 179.475 176.870 -0.179 0.000 1.077 179 L CA 1.458 56.101 54.840 -0.328 0.000 0.747 179 L CB -0.454 41.374 42.059 -0.384 0.000 0.896 179 L HN 0.216 nan 8.230 nan 0.000 0.432 180 K N -0.211 120.133 120.400 -0.094 0.000 2.057 180 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 180 K C 2.023 178.601 176.600 -0.037 0.000 1.050 180 K CA 1.243 57.487 56.287 -0.070 0.000 0.935 180 K CB -0.080 32.389 32.500 -0.052 0.000 0.715 180 K HN 0.345 nan 8.250 nan 0.000 0.439 181 E N 0.531 120.728 120.200 -0.006 0.000 2.058 181 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 181 E C 1.901 178.513 176.600 0.021 0.000 0.997 181 E CA 1.193 57.602 56.400 0.014 0.000 0.801 181 E CB -0.070 29.651 29.700 0.034 0.000 0.746 181 E HN 0.306 nan 8.360 nan 0.000 0.450 182 A N 0.117 122.962 122.820 0.042 0.000 2.119 182 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 182 A C 1.739 179.325 177.584 0.003 0.000 1.153 182 A CA 1.041 53.112 52.037 0.057 0.000 0.692 182 A CB -0.467 18.633 19.000 0.166 0.000 0.799 182 A HN 0.378 nan 8.150 nan 0.000 0.458 183 G N -1.099 107.677 108.800 -0.040 0.000 2.198 183 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.257 183 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.257 183 G C 0.066 174.927 174.900 -0.065 0.000 1.042 183 G CA 0.152 45.225 45.100 -0.045 0.000 0.791 183 G HN 0.783 nan 8.290 nan 0.000 0.502 184 V N 0.354 120.178 119.914 -0.150 0.000 2.555 184 V HA 0.405 4.525 4.120 -0.000 0.000 0.286 184 V C 1.164 177.132 176.094 -0.210 0.000 1.044 184 V CA -0.386 61.801 62.300 -0.188 0.000 1.026 184 V CB 1.335 32.923 31.823 -0.392 0.000 0.981 184 V HN 0.559 nan 8.190 nan 0.000 0.480 185 R N 4.653 125.029 120.500 -0.205 0.000 2.316 185 R HA 0.378 4.718 4.340 -0.000 0.000 0.314 185 R C -1.110 174.978 176.300 -0.354 0.000 1.069 185 R CA 0.172 56.051 56.100 -0.369 0.000 0.959 185 R CB 0.383 30.317 30.300 -0.610 0.000 0.987 185 R HN 0.481 nan 8.270 nan 0.000 0.446 186 V N 6.787 126.450 119.914 -0.418 0.000 2.487 186 V HA 0.338 4.458 4.120 -0.000 0.000 0.298 186 V C -1.077 174.772 176.094 -0.408 0.000 1.028 186 V CA -0.705 61.409 62.300 -0.310 0.000 0.860 186 V CB 1.402 33.098 31.823 -0.212 0.000 0.991 186 V HN 0.638 nan 8.190 nan 0.000 0.427 187 Y N 3.107 123.391 120.300 -0.027 0.000 2.587 187 Y HA 0.446 4.996 4.550 0.000 0.000 0.328 187 Y C 1.164 177.073 175.900 0.014 0.000 0.980 187 Y CA -0.650 57.448 58.100 -0.004 0.000 1.272 187 Y CB 1.366 39.825 38.460 -0.002 0.000 1.094 187 Y HN 0.795 nan 8.280 nan 0.000 0.503 188 T N -1.346 113.280 114.554 0.121 0.000 2.770 188 T HA 0.102 4.452 4.350 -0.000 0.000 0.281 188 T C 1.458 176.231 174.700 0.122 0.000 0.981 188 T CA -0.783 61.376 62.100 0.098 0.000 0.955 188 T CB 0.703 69.612 68.868 0.069 0.000 1.060 188 T HN 0.442 nan 8.240 nan 0.000 0.531 189 M N 0.364 120.019 119.600 0.092 0.000 2.358 189 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 189 M C 2.088 178.439 176.300 0.086 0.000 1.064 189 M CA 1.318 56.662 55.300 0.073 0.000 1.093 189 M CB -1.756 30.872 32.600 0.048 0.000 1.401 189 M HN 0.826 nan 8.290 nan 0.000 0.440 190 H N 0.545 119.633 119.070 0.029 0.000 2.353 190 H HA -0.137 4.419 4.556 0.000 0.000 0.300 190 H C 1.332 176.684 175.328 0.041 0.000 1.090 190 H CA 1.915 57.979 56.048 0.026 0.000 1.327 190 H CB 0.327 30.099 29.762 0.016 0.000 1.383 190 H HN 0.277 nan 8.280 nan 0.000 0.508 191 E N 0.045 120.349 120.200 0.174 0.000 2.150 191 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 191 E C 2.590 179.229 176.600 0.065 0.000 0.985 191 E CA 0.839 57.330 56.400 0.151 0.000 0.814 191 E CB -0.056 29.823 29.700 0.298 0.000 0.752 191 E HN 0.220 nan 8.360 nan 0.000 0.466 192 V N 1.582 121.530 119.914 0.057 0.000 2.295 192 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 192 V C 1.519 177.595 176.094 -0.029 0.000 1.049 192 V CA 2.004 64.308 62.300 0.007 0.000 1.024 192 V CB -0.421 31.411 31.823 0.015 0.000 0.648 192 V HN 0.249 nan 8.190 nan 0.000 0.447 193 D N -0.506 119.863 120.400 -0.052 0.000 2.144 193 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 193 D C 2.357 178.596 176.300 -0.102 0.000 0.978 193 D CA 1.097 55.051 54.000 -0.077 0.000 0.833 193 D CB -0.183 40.560 40.800 -0.096 0.000 0.961 193 D HN 0.308 nan 8.370 nan 0.000 0.470 194 R N -0.058 120.351 120.500 -0.153 0.000 2.073 194 R HA 0.051 4.391 4.340 -0.000 0.000 0.229 194 R C 2.270 178.536 176.300 -0.057 0.000 1.120 194 R CA 0.643 56.662 56.100 -0.134 0.000 0.967 194 R CB 0.053 30.240 30.300 -0.189 0.000 0.862 194 R HN 0.179 nan 8.270 nan 0.000 0.436 195 L N -1.347 119.856 121.223 -0.034 0.000 2.357 195 L HA 0.290 4.630 4.340 -0.000 0.000 0.211 195 L C 0.727 177.576 176.870 -0.034 0.000 1.075 195 L CA 0.298 55.126 54.840 -0.020 0.000 0.830 195 L CB 0.236 42.296 42.059 0.001 0.000 0.996 195 L HN 0.353 nan 8.230 nan 0.000 0.467 196 G N -0.425 108.350 108.800 -0.042 0.000 2.785 196 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 196 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 196 G C 0.178 175.041 174.900 -0.063 0.000 1.155 196 G CA -0.452 44.623 45.100 -0.042 0.000 0.760 196 G HN -0.219 nan 8.290 nan 0.000 0.624 197 V N 1.984 121.864 119.914 -0.057 0.000 2.392 197 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 197 V C 3.357 179.404 176.094 -0.078 0.000 1.059 197 V CA 3.441 65.697 62.300 -0.074 0.000 1.051 197 V CB -1.245 30.547 31.823 -0.051 0.000 0.658 197 V HN 1.760 nan 8.190 nan 0.000 0.455 198 A N 0.127 122.915 122.820 -0.053 0.000 1.873 198 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 198 A C 2.415 179.965 177.584 -0.058 0.000 1.193 198 A CA 2.416 54.427 52.037 -0.044 0.000 0.629 198 A CB -0.611 18.373 19.000 -0.027 0.000 0.826 198 A HN 0.512 nan 8.150 nan 0.000 0.447 199 R N -0.414 120.049 120.500 -0.062 0.000 2.075 199 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 199 R C 2.011 178.237 176.300 -0.123 0.000 1.126 199 R CA 1.618 57.679 56.100 -0.065 0.000 0.963 199 R CB -0.390 29.883 30.300 -0.045 0.000 0.858 199 R HN 0.561 nan 8.270 nan 0.000 0.435 200 I N 0.796 121.243 120.570 -0.205 0.000 2.226 200 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 200 I C 2.571 178.493 176.117 -0.325 0.000 1.100 200 I CA 1.304 62.344 61.300 -0.432 0.000 1.374 200 I CB -0.446 37.237 38.000 -0.528 0.000 1.057 200 I HN 0.318 nan 8.210 nan 0.000 0.413 201 A N 0.560 123.270 122.820 -0.184 0.000 1.908 201 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 201 A C 2.225 179.770 177.584 -0.064 0.000 1.181 201 A CA 1.610 53.584 52.037 -0.105 0.000 0.627 201 A CB -0.474 18.487 19.000 -0.065 0.000 0.818 201 A HN 0.393 nan 8.150 nan 0.000 0.445 202 E N 0.078 120.244 120.200 -0.057 0.000 2.077 202 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 202 E C 1.876 178.476 176.600 0.000 0.000 0.989 202 E CA 1.458 57.846 56.400 -0.020 0.000 0.800 202 E CB -0.426 29.265 29.700 -0.016 0.000 0.746 202 E HN 0.787 nan 8.360 nan 0.000 0.452 203 E N 0.524 120.710 120.200 -0.023 0.000 2.150 203 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 203 E C 2.258 178.920 176.600 0.104 0.000 0.985 203 E CA 0.673 57.100 56.400 0.045 0.000 0.814 203 E CB 0.093 29.826 29.700 0.056 0.000 0.752 203 E HN 0.008 nan 8.360 nan 0.000 0.466 204 V N 1.483 121.420 119.914 0.038 0.000 2.295 204 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 204 V C 2.299 178.475 176.094 0.136 0.000 1.049 204 V CA 1.517 63.887 62.300 0.117 0.000 1.024 204 V CB -0.398 31.455 31.823 0.050 0.000 0.648 204 V HN 0.281 nan 8.190 nan 0.000 0.447 205 L N -0.323 120.948 121.223 0.080 0.000 2.083 205 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 205 L C 2.568 179.487 176.870 0.082 0.000 1.083 205 L CA 1.721 56.605 54.840 0.073 0.000 0.752 205 L CB -0.558 41.528 42.059 0.045 0.000 0.899 205 L HN 0.294 nan 8.230 nan 0.000 0.433 206 K N -0.197 120.258 120.400 0.092 0.000 2.025 206 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 206 K C 2.189 178.859 176.600 0.117 0.000 1.049 206 K CA 1.486 57.827 56.287 0.090 0.000 0.933 206 K CB -0.303 32.251 32.500 0.089 0.000 0.714 206 K HN 0.203 nan 8.250 nan 0.000 0.438 207 H N -0.407 118.702 119.070 0.065 0.000 2.457 207 H HA 0.026 4.582 4.556 -0.000 0.000 0.297 207 H C 0.535 175.898 175.328 0.058 0.000 1.092 207 H CA 1.803 57.892 56.048 0.068 0.000 1.309 207 H CB 0.137 29.958 29.762 0.098 0.000 1.382 207 H HN 0.166 nan 8.280 nan 0.000 0.535 208 L N 1.915 123.188 121.223 0.083 0.000 3.017 208 L HA 0.156 4.496 4.340 -0.000 0.000 0.255 208 L C 0.158 177.044 176.870 0.026 0.000 1.247 208 L CA -0.441 54.417 54.840 0.030 0.000 1.038 208 L CB 0.001 42.119 42.059 0.097 0.000 1.380 208 L HN 0.328 nan 8.230 nan 0.000 0.548 209 Q N 0.298 120.109 119.800 0.018 0.000 2.349 209 Q HA 0.175 4.515 4.340 -0.000 0.000 0.287 209 Q C 1.052 177.059 176.000 0.013 0.000 1.044 209 Q CA 0.689 56.504 55.803 0.021 0.000 0.918 209 Q CB 0.453 29.202 28.738 0.018 0.000 1.242 209 Q HN 0.336 nan 8.270 nan 0.000 0.405 210 G N 2.026 110.838 108.800 0.020 0.000 2.189 210 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 210 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 210 G C -0.099 174.814 174.900 0.022 0.000 0.975 210 G CA 0.431 45.542 45.100 0.018 0.000 0.644 210 G HN 0.533 nan 8.290 nan 0.000 0.537 211 L N 1.647 122.886 121.223 0.028 0.000 2.331 211 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 211 L C -1.759 175.139 176.870 0.047 0.000 1.022 211 L CA -2.508 52.353 54.840 0.034 0.000 0.812 211 L CB 1.907 43.987 42.059 0.034 0.000 1.257 211 L HN -0.103 nan 8.230 nan 0.000 0.435 212 P HA 0.233 nan 4.420 nan 0.000 0.274 212 P C -1.218 176.125 177.300 0.071 0.000 1.231 212 P CA -0.191 62.943 63.100 0.056 0.000 0.790 212 P CB 1.063 32.791 31.700 0.047 0.000 0.951 213 L N 2.160 123.431 121.223 0.080 0.000 2.346 213 L HA 0.432 4.772 4.340 -0.000 0.000 0.274 213 L C 0.587 177.519 176.870 0.104 0.000 1.007 213 L CA -0.797 54.103 54.840 0.100 0.000 0.818 213 L CB 1.598 43.713 42.059 0.093 0.000 1.284 213 L HN 0.515 nan 8.230 nan 0.000 0.424 214 H N 2.954 122.050 119.070 0.043 0.000 2.511 214 H HA 0.465 5.021 4.556 -0.000 0.000 0.328 214 H C -1.610 173.751 175.328 0.055 0.000 1.044 214 H CA -0.499 55.560 56.048 0.018 0.000 1.212 214 H CB 1.920 31.697 29.762 0.025 0.000 1.428 214 H HN 0.281 nan 8.280 nan 0.000 0.483 215 V N 4.656 124.359 119.914 -0.351 0.000 2.370 215 V HA 0.146 4.266 4.120 -0.000 0.000 0.279 215 V C 0.386 176.294 176.094 -0.309 0.000 1.029 215 V CA -0.518 61.675 62.300 -0.178 0.000 0.870 215 V CB 1.327 33.093 31.823 -0.096 0.000 0.984 215 V HN 0.764 nan 8.190 nan 0.000 0.451 216 S N 5.465 121.095 115.700 -0.118 0.000 2.520 216 S HA 0.559 5.029 4.470 -0.000 0.000 0.324 216 S C -0.846 173.574 174.600 -0.300 0.000 1.069 216 S CA -0.497 57.579 58.200 -0.207 0.000 1.121 216 S CB 0.499 63.534 63.200 -0.275 0.000 0.971 216 S HN 0.575 nan 8.310 nan 0.000 0.463 217 L N 5.599 126.656 121.223 -0.277 0.000 2.262 217 L HA 0.552 4.892 4.340 -0.000 0.000 0.288 217 L C -0.444 176.236 176.870 -0.317 0.000 1.035 217 L CA -0.132 54.560 54.840 -0.246 0.000 0.820 217 L CB 1.112 43.065 42.059 -0.177 0.000 1.204 217 L HN 0.517 nan 8.230 nan 0.000 0.424 218 D N 3.784 124.000 120.400 -0.307 0.000 2.249 218 D HA 0.275 4.915 4.640 -0.000 0.000 0.246 218 D C 0.902 177.117 176.300 -0.142 0.000 1.114 218 D CA 0.314 54.139 54.000 -0.293 0.000 0.854 218 D CB 2.238 42.936 40.800 -0.170 0.000 1.132 218 D HN 0.726 nan 8.370 nan 0.000 0.461 219 A N 4.067 126.811 122.820 -0.127 0.000 1.986 219 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 219 A C 1.512 179.077 177.584 -0.031 0.000 1.171 219 A CA 1.883 53.876 52.037 -0.074 0.000 0.640 219 A CB -0.369 18.593 19.000 -0.064 0.000 0.811 219 A HN 0.717 nan 8.150 nan 0.000 0.451 220 D N -0.381 120.017 120.400 -0.004 0.000 2.392 220 D HA -0.061 4.579 4.640 -0.000 0.000 0.228 220 D C 1.322 177.633 176.300 0.019 0.000 1.003 220 D CA 0.916 54.936 54.000 0.033 0.000 0.917 220 D CB -0.681 40.183 40.800 0.105 0.000 0.890 220 D HN 0.205 nan 8.370 nan 0.000 0.532 221 V N -0.092 119.824 119.914 0.004 0.000 2.667 221 V HA 0.030 4.150 4.120 -0.000 0.000 0.252 221 V C 1.078 177.169 176.094 -0.005 0.000 1.065 221 V CA 0.463 62.763 62.300 0.001 0.000 1.083 221 V CB -0.286 31.536 31.823 -0.001 0.000 0.692 221 V HN 0.185 nan 8.190 nan 0.000 0.468 222 L N 1.048 122.267 121.223 -0.008 0.000 2.439 222 L HA 0.233 4.573 4.340 -0.000 0.000 0.269 222 L C 0.310 177.188 176.870 0.013 0.000 1.179 222 L CA -0.097 54.744 54.840 0.003 0.000 0.828 222 L CB 0.215 42.278 42.059 0.005 0.000 1.106 222 L HN 0.186 nan 8.230 nan 0.000 0.467 223 D N 2.422 122.835 120.400 0.022 0.000 2.488 223 D HA 0.010 4.650 4.640 -0.000 0.000 0.238 223 D C -1.644 174.670 176.300 0.023 0.000 1.138 223 D CA -0.837 53.176 54.000 0.022 0.000 0.873 223 D CB 1.115 41.931 40.800 0.026 0.000 1.183 223 D HN 0.222 nan 8.370 nan 0.000 0.458 224 P HA -0.155 nan 4.420 nan 0.000 0.217 224 P C 1.197 178.508 177.300 0.019 0.000 1.148 224 P CA 1.023 64.136 63.100 0.020 0.000 0.828 224 P CB 0.101 31.814 31.700 0.021 0.000 0.783 225 T N -1.811 112.754 114.554 0.018 0.000 2.929 225 T HA -0.094 4.256 4.350 -0.000 0.000 0.271 225 T C 1.438 176.147 174.700 0.016 0.000 1.085 225 T CA 0.814 62.923 62.100 0.014 0.000 1.125 225 T CB -0.455 68.421 68.868 0.013 0.000 0.874 225 T HN -0.098 nan 8.240 nan 0.000 0.494 226 L N -0.054 121.184 121.223 0.026 0.000 2.388 226 L HA 0.590 4.930 4.340 -0.000 0.000 0.209 226 L C 0.992 177.884 176.870 0.037 0.000 1.061 226 L CA 0.621 55.484 54.840 0.037 0.000 0.834 226 L CB 0.078 42.176 42.059 0.066 0.000 1.029 226 L HN 0.160 nan 8.230 nan 0.000 0.473 227 A N -0.045 122.792 122.820 0.029 0.000 3.030 227 A HA 0.532 4.852 4.320 -0.000 0.000 0.335 227 A C -2.016 175.577 177.584 0.015 0.000 1.089 227 A CA -0.811 51.239 52.037 0.021 0.000 0.807 227 A CB 0.002 19.012 19.000 0.017 0.000 1.099 227 A HN 0.131 nan 8.150 nan 0.000 0.474 228 P HA -0.065 nan 4.420 nan 0.000 0.222 228 P C 1.125 178.430 177.300 0.008 0.000 1.153 228 P CA 1.155 64.262 63.100 0.011 0.000 0.798 228 P CB 0.079 31.784 31.700 0.008 0.000 0.796 229 G N 1.428 110.231 108.800 0.004 0.000 3.180 229 G HA2 0.322 4.282 3.960 -0.000 0.000 0.252 229 G HA3 0.322 4.282 3.960 -0.000 0.000 0.252 229 G C 0.204 175.099 174.900 -0.007 0.000 0.871 229 G CA -0.052 45.047 45.100 -0.002 0.000 1.979 229 G HN 0.314 nan 8.290 nan 0.000 0.624 230 V N -2.265 117.648 119.914 -0.001 0.000 2.925 230 V HA 0.845 4.965 4.120 -0.000 0.000 0.311 230 V C 1.054 177.149 176.094 0.002 0.000 1.104 230 V CA -0.169 62.130 62.300 -0.003 0.000 0.954 230 V CB 1.438 33.269 31.823 0.014 0.000 1.022 230 V HN 0.228 nan 8.190 nan 0.000 0.427 231 G N 1.804 110.595 108.800 -0.015 0.000 2.402 231 G HA2 0.038 3.998 3.960 -0.000 0.000 0.216 231 G HA3 0.038 3.998 3.960 -0.000 0.000 0.216 231 G C 0.650 175.559 174.900 0.015 0.000 1.162 231 G CA 1.264 46.354 45.100 -0.018 0.000 0.777 231 G HN 0.925 nan 8.290 nan 0.000 0.539 232 T N 2.964 117.546 114.554 0.046 0.000 3.390 232 T HA 0.399 4.749 4.350 -0.000 0.000 0.351 232 T C -2.676 172.126 174.700 0.170 0.000 1.759 232 T CA -0.980 61.185 62.100 0.107 0.000 1.561 232 T CB 1.939 70.860 68.868 0.089 0.000 1.011 232 T HN 0.114 nan 8.240 nan 0.000 0.689 233 P HA 0.313 nan 4.420 nan 0.000 0.271 233 P C -0.805 176.542 177.300 0.077 0.000 1.216 233 P CA -0.252 62.895 63.100 0.078 0.000 0.776 233 P CB 1.140 32.869 31.700 0.048 0.000 0.881 234 V N 4.616 124.557 119.914 0.045 0.000 2.569 234 V HA 0.297 4.417 4.120 -0.000 0.000 0.301 234 V C -2.048 174.052 176.094 0.010 0.000 1.044 234 V CA -2.005 60.308 62.300 0.021 0.000 0.874 234 V CB 1.834 33.637 31.823 -0.034 0.000 1.002 234 V HN 0.563 nan 8.190 nan 0.000 0.424 235 P HA 0.200 nan 4.420 nan 0.000 0.270 235 P C 0.680 177.986 177.300 0.010 0.000 1.223 235 P CA 0.998 64.107 63.100 0.015 0.000 0.785 235 P CB 0.858 32.568 31.700 0.017 0.000 0.923 236 G N 0.206 109.013 108.800 0.012 0.000 2.204 236 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.244 236 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.244 236 G C 0.407 175.314 174.900 0.010 0.000 1.062 236 G CA -0.223 44.884 45.100 0.013 0.000 0.798 236 G HN 0.877 nan 8.290 nan 0.000 0.496 237 G N -1.252 107.554 108.800 0.010 0.000 2.531 237 G HA2 0.704 4.664 3.960 -0.000 0.000 0.281 237 G HA3 0.704 4.664 3.960 -0.000 0.000 0.281 237 G C 0.513 175.421 174.900 0.013 0.000 1.382 237 G CA -1.129 43.976 45.100 0.008 0.000 1.045 237 G HN 0.642 nan 8.290 nan 0.000 0.533 238 L N 0.612 121.841 121.223 0.010 0.000 2.439 238 L HA 0.272 4.612 4.340 -0.000 0.000 0.269 238 L C 1.423 178.309 176.870 0.027 0.000 1.179 238 L CA -0.536 54.310 54.840 0.010 0.000 0.828 238 L CB 0.896 42.951 42.059 -0.007 0.000 1.106 238 L HN 0.705 nan 8.230 nan 0.000 0.467 239 T N -1.802 112.775 114.554 0.040 0.000 2.816 239 T HA 0.063 4.413 4.350 -0.000 0.000 0.282 239 T C 0.877 175.648 174.700 0.119 0.000 0.993 239 T CA -0.330 61.819 62.100 0.082 0.000 0.994 239 T CB 0.710 69.628 68.868 0.082 0.000 1.025 239 T HN 0.526 nan 8.240 nan 0.000 0.529 240 Y N 1.514 121.839 120.300 0.042 0.000 2.097 240 Y HA -0.156 4.394 4.550 -0.000 0.000 0.282 240 Y C 2.784 178.778 175.900 0.156 0.000 1.152 240 Y CA 1.679 59.836 58.100 0.094 0.000 1.136 240 Y CB -0.227 38.291 38.460 0.096 0.000 0.975 240 Y HN 0.620 nan 8.280 nan 0.000 0.498 241 R N 0.168 120.810 120.500 0.236 0.000 2.081 241 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 241 R C 2.241 178.566 176.300 0.041 0.000 1.131 241 R CA 1.836 58.009 56.100 0.121 0.000 0.960 241 R CB -0.326 30.054 30.300 0.134 0.000 0.856 241 R HN 0.503 nan 8.270 nan 0.000 0.436 242 E N 0.401 120.618 120.200 0.029 0.000 2.077 242 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 242 E C 2.081 178.654 176.600 -0.045 0.000 0.989 242 E CA 1.199 57.596 56.400 -0.005 0.000 0.800 242 E CB -0.122 29.576 29.700 -0.003 0.000 0.746 242 E HN 0.377 nan 8.360 nan 0.000 0.452 243 A N 1.332 124.101 122.820 -0.085 0.000 1.902 243 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 243 A C 1.913 179.354 177.584 -0.237 0.000 1.181 243 A CA 1.405 53.340 52.037 -0.170 0.000 0.623 243 A CB -0.694 18.169 19.000 -0.229 0.000 0.818 243 A HN 0.280 nan 8.150 nan 0.000 0.443 244 H N -1.252 117.690 119.070 -0.212 0.000 2.389 244 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 244 H C 2.100 177.358 175.328 -0.117 0.000 1.081 244 H CA 1.775 57.700 56.048 -0.205 0.000 1.345 244 H CB -0.250 29.330 29.762 -0.303 0.000 1.393 244 H HN 0.432 nan 8.280 nan 0.000 0.520 245 L N 0.836 122.069 121.223 0.017 0.000 2.046 245 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 245 L C 2.398 179.256 176.870 -0.020 0.000 1.077 245 L CA 1.114 55.956 54.840 0.003 0.000 0.747 245 L CB -0.796 41.263 42.059 -0.002 0.000 0.896 245 L HN 0.101 nan 8.230 nan 0.000 0.432 246 L N -0.827 120.371 121.223 -0.043 0.000 2.012 246 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 246 L C 2.371 179.215 176.870 -0.043 0.000 1.073 246 L CA 2.030 56.841 54.840 -0.049 0.000 0.748 246 L CB -0.618 41.404 42.059 -0.061 0.000 0.891 246 L HN 0.274 nan 8.230 nan 0.000 0.431 247 M N -0.668 118.894 119.600 -0.062 0.000 2.108 247 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 247 M C 2.182 178.469 176.300 -0.022 0.000 1.066 247 M CA 1.678 56.945 55.300 -0.055 0.000 1.107 247 M CB -1.295 31.248 32.600 -0.095 0.000 1.356 247 M HN 0.388 nan 8.290 nan 0.000 0.406 248 E N 0.176 120.372 120.200 -0.007 0.000 2.110 248 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 248 E C 2.081 178.683 176.600 0.003 0.000 0.988 248 E CA 1.029 57.434 56.400 0.007 0.000 0.804 248 E CB -0.135 29.577 29.700 0.019 0.000 0.745 248 E HN 0.483 nan 8.360 nan 0.000 0.458 249 I N 0.842 121.410 120.570 -0.003 0.000 2.353 249 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 249 I C 2.234 178.353 176.117 0.003 0.000 1.119 249 I CA 0.741 62.040 61.300 -0.003 0.000 1.417 249 I CB -0.101 37.892 38.000 -0.011 0.000 1.078 249 I HN 0.109 nan 8.210 nan 0.000 0.421 250 L N 0.560 121.784 121.223 0.002 0.000 2.093 250 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 250 L C 2.879 179.763 176.870 0.023 0.000 1.085 250 L CA 1.205 56.054 54.840 0.015 0.000 0.755 250 L CB -0.687 41.380 42.059 0.014 0.000 0.904 250 L HN 0.228 nan 8.230 nan 0.000 0.435 251 A N 0.135 122.964 122.820 0.015 0.000 1.902 251 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 251 A C 2.118 179.715 177.584 0.021 0.000 1.181 251 A CA 1.632 53.680 52.037 0.017 0.000 0.623 251 A CB -0.459 18.545 19.000 0.007 0.000 0.818 251 A HN 0.452 nan 8.150 nan 0.000 0.443 252 E N 0.375 120.584 120.200 0.015 0.000 2.160 252 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 252 E C 2.252 178.863 176.600 0.018 0.000 0.991 252 E CA 1.371 57.778 56.400 0.012 0.000 0.810 252 E CB -0.248 29.456 29.700 0.006 0.000 0.742 252 E HN 0.826 nan 8.360 nan 0.000 0.466 253 S N -0.207 115.507 115.700 0.024 0.000 2.419 253 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 253 S C 1.881 176.503 174.600 0.036 0.000 1.016 253 S CA 0.937 59.155 58.200 0.030 0.000 0.974 253 S CB -0.373 62.849 63.200 0.036 0.000 0.786 253 S HN 0.425 nan 8.310 nan 0.000 0.492 254 G N 1.374 110.200 108.800 0.043 0.000 2.155 254 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 254 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 254 G C 0.819 175.761 174.900 0.069 0.000 0.983 254 G CA 0.493 45.625 45.100 0.053 0.000 0.676 254 G HN 0.583 nan 8.290 nan 0.000 0.528 255 R N -0.728 119.815 120.500 0.071 0.000 2.362 255 R HA 0.281 4.621 4.340 -0.000 0.000 0.227 255 R C 0.784 177.144 176.300 0.100 0.000 0.905 255 R CA 0.076 56.222 56.100 0.078 0.000 1.067 255 R CB 0.802 31.140 30.300 0.062 0.000 1.078 255 R HN 0.317 nan 8.270 nan 0.000 0.516 256 V N 2.825 122.816 119.914 0.129 0.000 2.521 256 V HA -0.056 4.064 4.120 -0.000 0.000 0.286 256 V C 1.166 177.424 176.094 0.274 0.000 1.034 256 V CA 0.452 62.858 62.300 0.176 0.000 1.045 256 V CB 1.254 33.196 31.823 0.197 0.000 0.974 256 V HN 0.391 nan 8.190 nan 0.000 0.480 257 Q N 3.542 123.396 119.800 0.089 0.000 2.316 257 Q HA 0.297 4.637 4.340 -0.000 0.000 0.235 257 Q C 0.360 175.873 176.000 -0.813 0.000 0.863 257 Q CA 0.209 55.947 55.803 -0.109 0.000 0.939 257 Q CB 0.921 29.628 28.738 -0.051 0.000 1.108 257 Q HN 0.720 nan 8.270 nan 0.000 0.522 258 S N -0.177 115.057 115.700 -0.776 0.000 2.565 258 S HA 0.711 5.181 4.470 -0.000 0.000 0.269 258 S C -1.588 172.633 174.600 -0.632 0.000 1.153 258 S CA -0.969 56.654 58.200 -0.961 0.000 0.835 258 S CB 1.950 64.957 63.200 -0.320 0.000 1.122 258 S HN 0.286 nan 8.310 nan 0.000 0.462 259 L N 0.795 121.752 121.223 -0.443 0.000 2.472 259 L HA 0.772 5.112 4.340 -0.000 0.000 0.260 259 L C -2.192 174.566 176.870 -0.186 0.000 0.963 259 L CA -0.188 54.489 54.840 -0.271 0.000 0.829 259 L CB 2.131 44.224 42.059 0.057 0.000 1.348 259 L HN 0.818 nan 8.230 nan 0.000 0.408 260 D N 5.152 125.429 120.400 -0.205 0.000 2.362 260 D HA 0.537 5.177 4.640 -0.000 0.000 0.247 260 D C -0.868 175.333 176.300 -0.165 0.000 1.050 260 D CA 0.123 54.050 54.000 -0.121 0.000 0.839 260 D CB 2.558 43.314 40.800 -0.073 0.000 1.283 260 D HN 0.494 nan 8.370 nan 0.000 0.477 261 L N 2.183 123.319 121.223 -0.145 0.000 2.366 261 L HA 0.378 4.718 4.340 -0.000 0.000 0.266 261 L C -0.030 176.736 176.870 -0.174 0.000 1.010 261 L CA -0.872 53.876 54.840 -0.153 0.000 0.879 261 L CB 1.254 43.251 42.059 -0.103 0.000 1.228 261 L HN 0.163 nan 8.230 nan 0.000 0.439 262 V N -1.111 118.645 119.914 -0.262 0.000 3.166 262 V HA 0.630 4.750 4.120 -0.000 0.000 0.317 262 V C 0.422 176.374 176.094 -0.236 0.000 1.136 262 V CA -0.585 61.549 62.300 -0.277 0.000 1.035 262 V CB 1.895 33.442 31.823 -0.461 0.000 1.110 262 V HN 0.731 nan 8.190 nan 0.000 0.450 263 E N -1.123 118.966 120.200 -0.184 0.000 2.971 263 E HA -0.159 4.191 4.350 -0.000 0.000 0.278 263 E C -0.018 176.527 176.600 -0.092 0.000 1.009 263 E CA 0.901 57.221 56.400 -0.134 0.000 0.862 263 E CB -1.673 27.947 29.700 -0.132 0.000 1.436 263 E HN 0.712 nan 8.360 nan 0.000 0.434 264 V N 1.907 121.772 119.914 -0.082 0.000 2.508 264 V HA 0.148 4.268 4.120 -0.000 0.000 0.281 264 V C 0.784 176.853 176.094 -0.041 0.000 1.041 264 V CA -0.046 62.223 62.300 -0.053 0.000 1.016 264 V CB 1.222 33.019 31.823 -0.043 0.000 0.984 264 V HN 0.140 nan 8.190 nan 0.000 0.478 265 N N 7.570 126.252 118.700 -0.030 0.000 2.623 265 N HA 0.341 5.081 4.740 -0.000 0.000 0.256 265 N C -1.534 173.968 175.510 -0.013 0.000 1.045 265 N CA -2.015 51.021 53.050 -0.024 0.000 0.863 265 N CB 2.296 40.766 38.487 -0.027 0.000 1.182 265 N HN 0.256 nan 8.380 nan 0.000 0.523 266 P HA -0.108 nan 4.420 nan 0.000 0.219 266 P C 1.427 178.722 177.300 -0.008 0.000 1.146 266 P CA 0.506 63.603 63.100 -0.005 0.000 0.808 266 P CB 0.690 32.392 31.700 0.003 0.000 0.779 267 I N -0.758 119.807 120.570 -0.009 0.000 2.614 267 I HA -0.123 4.047 4.170 -0.000 0.000 0.258 267 I C 2.223 178.336 176.117 -0.007 0.000 1.189 267 I CA 1.311 62.606 61.300 -0.008 0.000 1.462 267 I CB -0.755 37.241 38.000 -0.008 0.000 1.092 267 I HN -0.100 nan 8.210 nan 0.000 0.442 268 L N -1.285 119.934 121.223 -0.006 0.000 2.766 268 L HA 0.191 4.531 4.340 -0.000 0.000 0.242 268 L C 0.563 177.431 176.870 -0.002 0.000 1.136 268 L CA -0.216 54.623 54.840 -0.003 0.000 0.933 268 L CB 0.017 42.075 42.059 -0.002 0.000 1.241 268 L HN 0.037 nan 8.230 nan 0.000 0.522 269 D N 1.217 121.614 120.400 -0.005 0.000 2.411 269 D HA 0.177 4.817 4.640 -0.000 0.000 0.251 269 D C -0.295 176.002 176.300 -0.005 0.000 1.201 269 D CA -0.007 53.991 54.000 -0.003 0.000 0.996 269 D CB 0.908 41.706 40.800 -0.003 0.000 1.101 269 D HN 0.056 nan 8.370 nan 0.000 0.504 270 E N 1.215 121.412 120.200 -0.004 0.000 2.235 270 E HA 0.307 4.657 4.350 -0.000 0.000 0.252 270 E C -0.323 176.271 176.600 -0.008 0.000 0.886 270 E CA -0.692 55.704 56.400 -0.007 0.000 0.767 270 E CB 1.527 31.224 29.700 -0.006 0.000 1.205 270 E HN 0.291 nan 8.360 nan 0.000 0.421 271 R N 2.133 122.624 120.500 -0.014 0.000 3.758 271 R HA -0.249 4.091 4.340 -0.000 0.000 0.299 271 R C -0.010 176.283 176.300 -0.010 0.000 1.182 271 R CA 0.751 56.842 56.100 -0.016 0.000 0.809 271 R CB -2.410 27.881 30.300 -0.015 0.000 1.249 271 R HN 0.939 nan 8.270 nan 0.000 0.497 272 N N -0.134 118.562 118.700 -0.007 0.000 2.741 272 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 272 N C 1.254 176.772 175.510 0.014 0.000 1.112 272 N CA 1.802 54.855 53.050 0.004 0.000 0.750 272 N CB -0.383 38.108 38.487 0.006 0.000 1.119 272 N HN 0.774 nan 8.380 nan 0.000 0.561 273 R N -2.401 118.105 120.500 0.011 0.000 2.148 273 R HA -0.017 4.323 4.340 -0.000 0.000 0.227 273 R C 1.419 177.737 176.300 0.030 0.000 1.103 273 R CA 1.711 57.823 56.100 0.021 0.000 0.983 273 R CB -0.663 29.644 30.300 0.013 0.000 0.874 273 R HN 0.184 nan 8.270 nan 0.000 0.451 274 T N 1.278 115.844 114.554 0.019 0.000 2.777 274 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 274 T C 2.103 176.810 174.700 0.011 0.000 1.040 274 T CA 1.441 63.551 62.100 0.016 0.000 1.141 274 T CB -0.210 68.660 68.868 0.004 0.000 0.868 274 T HN 0.493 nan 8.240 nan 0.000 0.444 275 A N 1.758 124.586 122.820 0.012 0.000 1.902 275 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 275 A C 2.178 179.775 177.584 0.022 0.000 1.181 275 A CA 1.556 53.600 52.037 0.011 0.000 0.623 275 A CB -0.534 18.481 19.000 0.024 0.000 0.818 275 A HN 0.577 nan 8.150 nan 0.000 0.443 276 E N -0.735 119.487 120.200 0.037 0.000 2.153 276 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 276 E C 2.047 178.691 176.600 0.072 0.000 0.988 276 E CA 1.144 57.575 56.400 0.053 0.000 0.811 276 E CB -0.245 29.488 29.700 0.055 0.000 0.746 276 E HN 0.492 nan 8.360 nan 0.000 0.466 277 M N 0.195 119.839 119.600 0.074 0.000 2.067 277 M HA -0.152 4.328 4.480 -0.000 0.000 0.260 277 M C 2.340 178.647 176.300 0.011 0.000 1.069 277 M CA 1.227 56.583 55.300 0.095 0.000 1.117 277 M CB -0.678 31.971 32.600 0.082 0.000 1.334 277 M HN 0.163 nan 8.290 nan 0.000 0.407 278 L N -0.460 120.751 121.223 -0.020 0.000 2.083 278 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 278 L C 2.474 179.313 176.870 -0.052 0.000 1.083 278 L CA 1.076 55.879 54.840 -0.062 0.000 0.752 278 L CB -0.961 41.059 42.059 -0.065 0.000 0.899 278 L HN 0.043 nan 8.230 nan 0.000 0.433 279 V N -0.533 119.371 119.914 -0.016 0.000 2.358 279 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 279 V C 2.518 178.615 176.094 0.005 0.000 1.047 279 V CA 1.848 64.143 62.300 -0.009 0.000 1.035 279 V CB -1.279 30.550 31.823 0.011 0.000 0.658 279 V HN 0.573 nan 8.190 nan 0.000 0.452 280 G N -0.400 108.428 108.800 0.046 0.000 2.422 280 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 280 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 280 G C 1.576 176.520 174.900 0.072 0.000 1.146 280 G CA 0.825 45.998 45.100 0.122 0.000 0.769 280 G HN 0.470 nan 8.290 nan 0.000 0.547 281 L N 0.522 121.667 121.223 -0.131 0.000 2.093 281 L HA 0.009 4.348 4.340 -0.000 0.000 0.208 281 L C 3.380 180.168 176.870 -0.137 0.000 1.085 281 L CA 0.827 55.500 54.840 -0.279 0.000 0.755 281 L CB -0.355 41.505 42.059 -0.332 0.000 0.904 281 L HN 0.302 nan 8.230 nan 0.000 0.435 282 A N 0.337 123.098 122.820 -0.098 0.000 1.902 282 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 282 A C 2.241 179.769 177.584 -0.094 0.000 1.181 282 A CA 1.345 53.325 52.037 -0.095 0.000 0.623 282 A CB -0.641 18.307 19.000 -0.086 0.000 0.818 282 A HN 0.357 nan 8.150 nan 0.000 0.443 283 L N -0.604 120.591 121.223 -0.047 0.000 2.046 283 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 283 L C 2.819 179.689 176.870 0.001 0.000 1.077 283 L CA 1.481 56.311 54.840 -0.017 0.000 0.747 283 L CB -0.547 41.527 42.059 0.025 0.000 0.896 283 L HN 0.312 nan 8.230 nan 0.000 0.432 284 S N 0.085 115.799 115.700 0.022 0.000 2.383 284 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 284 S C 1.852 176.446 174.600 -0.009 0.000 1.026 284 S CA 1.074 59.297 58.200 0.038 0.000 0.981 284 S CB -0.276 62.988 63.200 0.106 0.000 0.818 284 S HN 0.238 nan 8.310 nan 0.000 0.472 285 L N 0.968 122.161 121.223 -0.050 0.000 2.131 285 L HA 0.089 4.429 4.340 -0.000 0.000 0.210 285 L C 1.090 177.907 176.870 -0.088 0.000 1.092 285 L CA 1.534 56.339 54.840 -0.059 0.000 0.759 285 L CB -0.383 41.636 42.059 -0.067 0.000 0.903 285 L HN 0.191 nan 8.230 nan 0.000 0.435 286 L N 0.055 121.199 121.223 -0.132 0.000 2.688 286 L HA 0.388 4.728 4.340 -0.000 0.000 0.234 286 L C 1.441 178.339 176.870 0.046 0.000 1.192 286 L CA 0.765 55.509 54.840 -0.160 0.000 0.984 286 L CB -0.372 41.444 42.059 -0.405 0.000 1.232 286 L HN 0.403 nan 8.230 nan 0.000 0.465 287 G N -1.244 107.571 108.800 0.025 0.000 2.213 287 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.226 287 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.226 287 G C 0.645 175.567 174.900 0.036 0.000 0.992 287 G CA -0.062 45.061 45.100 0.039 0.000 0.632 287 G HN 0.318 nan 8.290 nan 0.000 0.511 288 K N 1.098 121.523 120.400 0.042 0.000 2.447 288 K HA 0.453 4.773 4.320 -0.000 0.000 0.281 288 K C 0.429 177.049 176.600 0.034 0.000 1.031 288 K CA 0.253 56.563 56.287 0.038 0.000 1.019 288 K CB 0.146 32.670 32.500 0.040 0.000 0.918 288 K HN 0.420 nan 8.250 nan 0.000 0.476 289 R N 3.584 124.105 120.500 0.035 0.000 2.771 289 R HA 0.293 4.633 4.340 -0.000 0.000 0.274 289 R C 0.939 177.271 176.300 0.053 0.000 0.987 289 R CA -0.702 55.425 56.100 0.045 0.000 0.908 289 R CB 1.010 31.343 30.300 0.056 0.000 1.213 289 R HN 0.567 nan 8.270 nan 0.000 0.468 290 I N 0.525 121.128 120.570 0.054 0.000 2.315 290 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 290 I C 0.700 176.869 176.117 0.086 0.000 1.117 290 I CA 1.600 62.922 61.300 0.036 0.000 1.404 290 I CB 0.191 38.201 38.000 0.017 0.000 1.071 290 I HN 0.332 nan 8.210 nan 0.000 0.419 291 F N 0.000 119.942 119.950 -0.013 0.000 2.286 291 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 291 F CA 0.000 57.993 58.000 -0.012 0.000 1.383 291 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574