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_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 0.000 176.751 176.600 0.252 0.000 1.382 2 E CA 0.000 56.478 56.400 0.130 0.000 0.976 2 E CB 0.000 29.729 29.700 0.048 0.000 0.812 3 R N 1.359 121.992 120.500 0.221 0.000 2.460 3 R HA 0.725 5.066 4.340 0.001 0.000 0.303 3 R C -1.216 175.173 176.300 0.149 0.000 0.968 3 R CA -0.708 55.493 56.100 0.169 0.000 0.889 3 R CB 2.724 33.090 30.300 0.111 0.000 1.123 3 R HN -0.092 nan 8.270 nan 0.000 0.455 4 V N 1.653 121.620 119.914 0.088 0.000 2.709 4 V HA 0.658 4.779 4.120 0.001 0.000 0.308 4 V C -0.742 175.379 176.094 0.044 0.000 1.062 4 V CA -0.845 61.477 62.300 0.036 0.000 0.901 4 V CB 1.970 33.708 31.823 -0.142 0.000 1.003 4 V HN 0.915 nan 8.190 nan 0.000 0.425 5 A N 4.257 127.114 122.820 0.061 0.000 2.318 5 A HA 0.867 5.187 4.320 0.001 0.000 0.317 5 A C -0.969 176.632 177.584 0.029 0.000 1.159 5 A CA -0.534 51.525 52.037 0.036 0.000 0.799 5 A CB 1.560 20.579 19.000 0.033 0.000 1.194 5 A HN 0.669 nan 8.150 nan 0.000 0.479 6 V N 2.861 122.780 119.914 0.009 0.000 2.417 6 V HA 0.611 4.731 4.120 0.001 0.000 0.291 6 V C -0.326 175.764 176.094 -0.007 0.000 1.024 6 V CA -0.492 61.807 62.300 -0.002 0.000 0.861 6 V CB 1.343 33.156 31.823 -0.017 0.000 0.985 6 V HN 0.813 nan 8.190 nan 0.000 0.436 7 V N 4.363 124.273 119.914 -0.008 0.000 2.709 7 V HA 0.940 5.060 4.120 0.001 0.000 0.308 7 V C 0.221 176.305 176.094 -0.017 0.000 1.062 7 V CA 0.078 62.372 62.300 -0.011 0.000 0.901 7 V CB 2.097 33.918 31.823 -0.004 0.000 1.003 7 V HN 0.945 nan 8.190 nan 0.000 0.425 8 G N 3.862 112.650 108.800 -0.020 0.000 2.417 8 G HA2 0.612 4.572 3.960 0.001 0.000 0.334 8 G HA3 0.612 4.572 3.960 0.001 0.000 0.334 8 G C -1.260 173.627 174.900 -0.021 0.000 1.150 8 G CA -0.537 44.548 45.100 -0.025 0.000 0.923 8 G HN 0.967 nan 8.290 nan 0.000 0.485 9 V N 2.822 122.721 119.914 -0.024 0.000 2.380 9 V HA 0.272 4.393 4.120 0.001 0.000 0.268 9 V C -2.056 174.021 176.094 -0.028 0.000 1.008 9 V CA -1.222 61.064 62.300 -0.023 0.000 0.823 9 V CB 1.873 33.683 31.823 -0.022 0.000 1.053 9 V HN 0.710 nan 8.190 nan 0.000 0.446 10 P HA 0.114 nan 4.420 nan 0.000 0.231 10 P C -0.225 177.054 177.300 -0.036 0.000 1.756 10 P CA 0.106 63.189 63.100 -0.029 0.000 0.990 10 P CB 0.268 31.955 31.700 -0.022 0.000 1.973 11 M N 1.885 121.461 119.600 -0.039 0.000 2.180 11 M HA 0.318 4.799 4.480 0.001 0.000 0.350 11 M C -0.644 175.625 176.300 -0.052 0.000 1.125 11 M CA -0.112 55.160 55.300 -0.047 0.000 1.031 11 M CB 1.138 33.718 32.600 -0.033 0.000 1.623 11 M HN -0.184 nan 8.290 nan 0.000 0.451 12 D N 6.369 126.724 120.400 -0.075 0.000 2.621 12 D HA 0.357 4.997 4.640 0.001 0.000 0.274 12 D C -1.504 174.726 176.300 -0.117 0.000 1.215 12 D CA -0.024 53.934 54.000 -0.070 0.000 0.810 12 D CB 0.445 41.206 40.800 -0.065 0.000 1.248 12 D HN 0.605 nan 8.370 nan 0.000 0.517 20 V N -0.166 119.721 119.914 -0.044 0.000 2.867 20 V HA -0.030 4.090 4.120 0.001 0.000 0.260 20 V C 2.184 178.252 176.094 -0.044 0.000 1.099 20 V CA 2.016 64.284 62.300 -0.053 0.000 1.122 20 V CB -0.373 31.402 31.823 -0.080 0.000 0.708 20 V HN 0.382 nan 8.190 nan 0.000 0.490 21 D N 0.522 120.898 120.400 -0.040 0.000 2.350 21 D HA -0.198 4.443 4.640 0.001 0.000 0.216 21 D C 1.738 178.026 176.300 -0.020 0.000 0.968 21 D CA 1.198 55.177 54.000 -0.034 0.000 0.894 21 D CB -0.288 40.489 40.800 -0.037 0.000 0.909 21 D HN 0.522 nan 8.370 nan 0.000 0.520 22 M N 0.096 119.688 119.600 -0.013 0.000 2.495 22 M HA 0.221 4.701 4.480 0.001 0.000 0.237 22 M C 2.054 178.360 176.300 0.010 0.000 1.131 22 M CA 0.301 55.604 55.300 0.005 0.000 1.032 22 M CB 0.683 33.288 32.600 0.008 0.000 1.513 22 M HN 0.064 nan 8.290 nan 0.000 0.488 23 G N 2.049 110.843 108.800 -0.010 0.000 2.446 23 G HA2 -0.152 3.808 3.960 0.001 0.000 0.217 23 G HA3 -0.152 3.808 3.960 0.001 0.000 0.217 23 G C -1.083 173.812 174.900 -0.009 0.000 1.168 23 G CA 0.643 45.734 45.100 -0.015 0.000 0.771 23 G HN 0.321 nan 8.290 nan 0.000 0.551 24 P HA -0.045 nan 4.420 nan 0.000 0.215 24 P C 2.288 179.579 177.300 -0.016 0.000 1.153 24 P CA 1.637 64.724 63.100 -0.023 0.000 0.853 24 P CB -0.050 31.633 31.700 -0.028 0.000 0.788 25 S N -0.615 115.092 115.700 0.012 0.000 2.368 25 S HA -0.137 4.333 4.470 0.001 0.000 0.225 25 S C 2.036 176.725 174.600 0.148 0.000 1.030 25 S CA 1.356 59.580 58.200 0.041 0.000 0.999 25 S CB -1.067 62.211 63.200 0.130 0.000 0.844 25 S HN 0.128 nan 8.310 nan 0.000 0.459 26 A N 1.363 124.267 122.820 0.141 0.000 1.902 26 A HA -0.016 4.304 4.320 0.001 0.000 0.217 26 A C 2.110 179.758 177.584 0.106 0.000 1.181 26 A CA 1.175 53.302 52.037 0.150 0.000 0.623 26 A CB -0.709 18.333 19.000 0.069 0.000 0.818 26 A HN 0.449 nan 8.150 nan 0.000 0.443 27 L N -1.151 120.096 121.223 0.040 0.000 2.056 27 L HA -0.169 4.171 4.340 0.001 0.000 0.207 27 L C 2.877 179.745 176.870 -0.003 0.000 1.078 27 L CA 1.374 56.220 54.840 0.010 0.000 0.749 27 L CB -0.406 41.642 42.059 -0.018 0.000 0.901 27 L HN 0.340 nan 8.230 nan 0.000 0.433 28 R N -1.254 119.219 120.500 -0.045 0.000 2.075 28 R HA -0.164 4.176 4.340 0.001 0.000 0.232 28 R C 2.256 178.487 176.300 -0.115 0.000 1.126 28 R CA 1.371 57.401 56.100 -0.116 0.000 0.963 28 R CB -0.414 29.758 30.300 -0.215 0.000 0.858 28 R HN 0.231 nan 8.270 nan 0.000 0.435 29 Y N 0.442 120.737 120.300 -0.009 0.000 2.403 29 Y HA -0.087 4.463 4.550 0.001 0.000 0.291 29 Y C 2.083 177.981 175.900 -0.004 0.000 1.143 29 Y CA 0.871 58.968 58.100 -0.006 0.000 1.257 29 Y CB -0.186 38.270 38.460 -0.007 0.000 0.984 29 Y HN 0.100 nan 8.280 nan 0.000 0.550 30 A N -0.026 122.870 122.820 0.128 0.000 2.276 30 A HA 0.092 4.412 4.320 0.001 0.000 0.212 30 A C 0.937 178.551 177.584 0.050 0.000 1.230 30 A CA 0.059 52.143 52.037 0.079 0.000 0.844 30 A CB -0.702 18.331 19.000 0.055 0.000 0.860 30 A HN 0.459 nan 8.150 nan 0.000 0.486 31 R N -2.366 118.156 120.500 0.038 0.000 3.422 31 R HA -0.213 4.127 4.340 0.001 0.000 0.267 31 R C 0.846 177.149 176.300 0.004 0.000 1.074 31 R CA 0.613 56.723 56.100 0.016 0.000 0.718 31 R CB -2.450 27.867 30.300 0.028 0.000 1.157 31 R HN 0.542 nan 8.270 nan 0.000 0.440 32 L N 0.231 121.450 121.223 -0.008 0.000 2.012 32 L HA -0.141 4.200 4.340 0.001 0.000 0.210 32 L C 1.976 178.833 176.870 -0.021 0.000 1.073 32 L CA 2.132 56.962 54.840 -0.017 0.000 0.748 32 L CB -0.297 41.744 42.059 -0.029 0.000 0.891 32 L HN 0.498 nan 8.230 nan 0.000 0.431 33 L N -0.789 120.420 121.223 -0.025 0.000 1.994 33 L HA -0.208 4.132 4.340 0.001 0.000 0.208 33 L C 2.523 179.391 176.870 -0.003 0.000 1.071 33 L CA 1.506 56.334 54.840 -0.020 0.000 0.745 33 L CB -0.308 41.734 42.059 -0.029 0.000 0.892 33 L HN 0.275 nan 8.230 nan 0.000 0.431 34 E N -0.303 119.896 120.200 -0.001 0.000 2.085 34 E HA -0.267 4.084 4.350 0.001 0.000 0.194 34 E C 2.162 178.772 176.600 0.017 0.000 0.994 34 E CA 1.364 57.769 56.400 0.008 0.000 0.801 34 E CB -0.216 29.489 29.700 0.009 0.000 0.743 34 E HN 0.553 nan 8.360 nan 0.000 0.453 35 Q N -0.203 119.607 119.800 0.016 0.000 2.172 35 Q HA -0.016 4.325 4.340 0.001 0.000 0.200 35 Q C 2.204 178.227 176.000 0.038 0.000 0.964 35 Q CA 0.658 56.475 55.803 0.024 0.000 0.855 35 Q CB -0.046 28.705 28.738 0.022 0.000 0.918 35 Q HN 0.302 nan 8.270 nan 0.000 0.444 36 L N 0.611 121.853 121.223 0.032 0.000 2.093 36 L HA -0.182 4.159 4.340 0.001 0.000 0.208 36 L C 2.082 179.035 176.870 0.138 0.000 1.085 36 L CA 1.151 56.030 54.840 0.065 0.000 0.755 36 L CB -0.209 41.838 42.059 -0.020 0.000 0.904 36 L HN 0.258 nan 8.230 nan 0.000 0.435 37 E N -0.136 120.112 120.200 0.079 0.000 2.072 37 E HA -0.202 4.148 4.350 0.001 0.000 0.191 37 E C 1.609 178.237 176.600 0.046 0.000 0.985 37 E CA 1.093 57.535 56.400 0.069 0.000 0.801 37 E CB -0.053 29.671 29.700 0.040 0.000 0.750 37 E HN 0.453 nan 8.360 nan 0.000 0.452 38 D N 0.777 121.199 120.400 0.037 0.000 2.221 38 D HA -0.138 4.502 4.640 0.001 0.000 0.204 38 D C 1.704 178.014 176.300 0.017 0.000 0.982 38 D CA 0.628 54.641 54.000 0.021 0.000 0.857 38 D CB -0.045 40.767 40.800 0.020 0.000 0.934 38 D HN 0.076 nan 8.370 nan 0.000 0.475 39 L N -0.563 120.686 121.223 0.044 0.000 2.552 39 L HA 0.177 4.518 4.340 0.001 0.000 0.227 39 L C 1.515 178.338 176.870 -0.079 0.000 1.146 39 L CA 1.129 55.987 54.840 0.030 0.000 0.858 39 L CB -0.068 42.075 42.059 0.139 0.000 0.969 39 L HN 0.214 nan 8.230 nan 0.000 0.451 40 G N -2.892 105.868 108.800 -0.067 0.000 2.184 40 G HA2 -0.290 3.670 3.960 0.001 0.000 0.206 40 G HA3 -0.290 3.670 3.960 0.001 0.000 0.206 40 G C 0.044 174.829 174.900 -0.191 0.000 0.995 40 G CA -0.048 44.960 45.100 -0.153 0.000 0.651 40 G HN 0.245 nan 8.290 nan 0.000 0.511 41 Y N 1.813 122.094 120.300 -0.031 0.000 2.301 41 Y HA 0.527 5.077 4.550 0.001 0.000 0.325 41 Y C 1.301 177.191 175.900 -0.017 0.000 1.203 41 Y CA 0.378 58.460 58.100 -0.030 0.000 1.255 41 Y CB 1.275 39.705 38.460 -0.050 0.000 1.232 41 Y HN 0.209 nan 8.280 nan 0.000 0.501 42 T N 0.293 114.947 114.554 0.166 0.000 2.744 42 T HA 0.654 5.005 4.350 0.001 0.000 0.291 42 T C -0.673 174.085 174.700 0.097 0.000 0.957 42 T CA -0.722 61.434 62.100 0.094 0.000 1.002 42 T CB 0.179 69.086 68.868 0.065 0.000 0.919 42 T HN 0.331 nan 8.240 nan 0.000 0.468 43 V N 3.398 123.351 119.914 0.064 0.000 2.628 43 V HA 0.621 4.741 4.120 0.001 0.000 0.306 43 V C -0.037 176.071 176.094 0.023 0.000 1.045 43 V CA -0.926 61.397 62.300 0.039 0.000 0.905 43 V CB 1.612 33.448 31.823 0.022 0.000 0.997 43 V HN 1.049 nan 8.190 nan 0.000 0.436 44 E N 2.514 122.725 120.200 0.018 0.000 2.224 44 E HA 0.316 4.667 4.350 0.001 0.000 0.265 44 E C -1.527 175.075 176.600 0.003 0.000 0.878 44 E CA -0.642 55.764 56.400 0.011 0.000 0.759 44 E CB 1.752 31.462 29.700 0.017 0.000 1.164 44 E HN 0.702 nan 8.360 nan 0.000 0.414 45 D N 5.160 125.556 120.400 -0.006 0.000 2.313 45 D HA 0.145 4.786 4.640 0.001 0.000 0.239 45 D C 0.684 176.978 176.300 -0.011 0.000 1.142 45 D CA -0.267 53.725 54.000 -0.014 0.000 0.847 45 D CB 1.160 41.944 40.800 -0.027 0.000 1.082 45 D HN 0.604 nan 8.370 nan 0.000 0.480 46 L N 3.222 124.441 121.223 -0.008 0.000 2.591 46 L HA 0.226 4.567 4.340 0.001 0.000 0.228 46 L C 1.589 178.453 176.870 -0.009 0.000 1.133 46 L CA 0.155 54.992 54.840 -0.004 0.000 0.880 46 L CB -0.720 41.340 42.059 0.000 0.000 1.033 46 L HN 0.653 nan 8.230 nan 0.000 0.450 47 G N 0.506 109.296 108.800 -0.016 0.000 2.542 47 G HA2 -0.218 3.742 3.960 0.001 0.000 0.235 47 G HA3 -0.218 3.742 3.960 0.001 0.000 0.235 47 G C -0.888 174.001 174.900 -0.018 0.000 1.286 47 G CA -0.436 44.653 45.100 -0.019 0.000 0.904 47 G HN 0.210 nan 8.290 nan 0.000 0.577 48 D N -0.636 119.755 120.400 -0.015 0.000 2.340 48 D HA 0.569 5.210 4.640 0.001 0.000 0.240 48 D C 0.183 176.478 176.300 -0.007 0.000 1.001 48 D CA -0.377 53.615 54.000 -0.014 0.000 0.888 48 D CB 1.910 42.701 40.800 -0.016 0.000 1.310 48 D HN 0.414 nan 8.370 nan 0.000 0.474 49 V N 2.744 122.654 119.914 -0.006 0.000 2.530 49 V HA 0.206 4.327 4.120 0.001 0.000 0.282 49 V C -1.983 174.110 176.094 -0.001 0.000 1.048 49 V CA -1.290 61.010 62.300 0.000 0.000 0.997 49 V CB 1.023 32.847 31.823 0.002 0.000 0.987 49 V HN 0.394 nan 8.190 nan 0.000 0.477 50 P HA 0.134 nan 4.420 nan 0.000 0.264 50 P C -0.999 176.301 177.300 0.001 0.000 1.193 50 P CA 0.199 63.300 63.100 0.002 0.000 0.763 50 P CB 0.407 32.111 31.700 0.007 0.000 0.810 51 V N 2.186 122.096 119.914 -0.007 0.000 2.443 51 V HA 0.671 4.791 4.120 0.001 0.000 0.293 51 V C 0.494 176.577 176.094 -0.019 0.000 1.021 51 V CA -0.179 62.112 62.300 -0.014 0.000 0.848 51 V CB 0.924 32.730 31.823 -0.028 0.000 0.998 51 V HN 0.699 nan 8.190 nan 0.000 0.424 65 A N 0.331 123.097 122.820 -0.091 0.000 2.573 65 A HA 0.158 4.478 4.320 0.001 0.000 0.250 65 A C -0.188 177.402 177.584 0.010 0.000 1.049 65 A CA 0.613 52.575 52.037 -0.124 0.000 0.767 65 A CB -1.142 17.847 19.000 -0.019 0.000 0.965 65 A HN 0.517 nan 8.150 nan 0.000 0.514 66 Y N -0.151 120.130 120.300 -0.032 0.000 3.978 66 Y HA -0.275 4.276 4.550 0.001 0.000 0.219 66 Y C 1.260 177.141 175.900 -0.032 0.000 1.153 66 Y CA 0.825 58.912 58.100 -0.023 0.000 1.718 66 Y CB -2.252 36.205 38.460 -0.005 0.000 1.541 66 Y HN 0.682 nan 8.280 nan 0.000 0.640 67 L N 0.059 121.300 121.223 0.030 0.000 1.990 67 L HA -0.271 4.069 4.340 0.001 0.000 0.213 67 L C 2.318 179.198 176.870 0.016 0.000 1.072 67 L CA 2.073 56.901 54.840 -0.020 0.000 0.755 67 L CB -0.092 41.869 42.059 -0.164 0.000 0.889 67 L HN 0.241 nan 8.230 nan 0.000 0.432 68 E N -0.008 120.199 120.200 0.011 0.000 2.110 68 E HA -0.236 4.115 4.350 0.001 0.000 0.193 68 E C 2.087 178.729 176.600 0.070 0.000 0.988 68 E CA 1.363 57.783 56.400 0.034 0.000 0.804 68 E CB -0.108 29.604 29.700 0.019 0.000 0.745 68 E HN 0.614 nan 8.360 nan 0.000 0.458 69 E N 0.543 120.802 120.200 0.099 0.000 2.106 69 E HA -0.061 4.289 4.350 0.001 0.000 0.192 69 E C 2.166 178.814 176.600 0.080 0.000 0.984 69 E CA 0.550 57.009 56.400 0.100 0.000 0.806 69 E CB -0.149 29.637 29.700 0.144 0.000 0.750 69 E HN 0.244 nan 8.360 nan 0.000 0.458 70 I N 0.484 121.107 120.570 0.089 0.000 2.202 70 I HA -0.258 3.912 4.170 0.001 0.000 0.242 70 I C 2.608 178.782 176.117 0.095 0.000 1.091 70 I CA 1.018 62.358 61.300 0.066 0.000 1.368 70 I CB -0.214 37.823 38.000 0.062 0.000 1.058 70 I HN 0.043 nan 8.210 nan 0.000 0.410 71 R N 1.322 121.913 120.500 0.151 0.000 2.083 71 R HA -0.220 4.121 4.340 0.001 0.000 0.237 71 R C 2.375 178.824 176.300 0.248 0.000 1.137 71 R CA 1.825 58.097 56.100 0.286 0.000 0.951 71 R CB -0.301 30.119 30.300 0.199 0.000 0.851 71 R HN 0.359 nan 8.270 nan 0.000 0.434 72 A N 0.734 123.636 122.820 0.137 0.000 1.865 72 A HA -0.143 4.177 4.320 0.001 0.000 0.217 72 A C 2.398 180.042 177.584 0.100 0.000 1.191 72 A CA 1.902 54.000 52.037 0.103 0.000 0.623 72 A CB -0.951 18.089 19.000 0.067 0.000 0.826 72 A HN 0.574 nan 8.150 nan 0.000 0.444 73 A N -0.234 122.631 122.820 0.076 0.000 1.877 73 A HA 0.153 4.473 4.320 0.001 0.000 0.216 73 A C 2.536 180.151 177.584 0.051 0.000 1.186 73 A CA 2.269 54.334 52.037 0.048 0.000 0.620 73 A CB -1.151 17.860 19.000 0.020 0.000 0.822 73 A HN 1.167 nan 8.150 nan 0.000 0.443 74 A N -0.862 121.984 122.820 0.043 0.000 1.978 74 A HA -0.052 4.268 4.320 0.001 0.000 0.220 74 A C 2.102 179.775 177.584 0.149 0.000 1.170 74 A CA 1.767 53.781 52.037 -0.038 0.000 0.636 74 A CB -0.530 18.246 19.000 -0.374 0.000 0.810 74 A HN 0.578 nan 8.150 nan 0.000 0.448 75 L N -0.308 121.101 121.223 0.311 0.000 2.093 75 L HA -0.067 4.274 4.340 0.001 0.000 0.208 75 L C 2.411 179.370 176.870 0.148 0.000 1.085 75 L CA 1.619 56.635 54.840 0.293 0.000 0.755 75 L CB -0.442 41.732 42.059 0.192 0.000 0.904 75 L HN 0.162 nan 8.230 nan 0.000 0.435 76 V N -0.601 119.374 119.914 0.101 0.000 2.343 76 V HA -0.256 3.864 4.120 0.001 0.000 0.247 76 V C 2.444 178.570 176.094 0.053 0.000 1.051 76 V CA 1.608 63.945 62.300 0.062 0.000 1.036 76 V CB -0.649 31.201 31.823 0.044 0.000 0.654 76 V HN 0.484 nan 8.190 nan 0.000 0.451 77 L N 0.644 121.898 121.223 0.051 0.000 2.017 77 L HA -0.174 4.166 4.340 0.001 0.000 0.208 77 L C 2.459 179.356 176.870 0.045 0.000 1.073 77 L CA 2.344 57.203 54.840 0.032 0.000 0.745 77 L CB -0.850 41.215 42.059 0.009 0.000 0.894 77 L HN 0.290 nan 8.230 nan 0.000 0.432 78 K N -0.345 120.103 120.400 0.080 0.000 2.044 78 K HA -0.246 4.074 4.320 0.001 0.000 0.210 78 K C 1.894 178.534 176.600 0.067 0.000 1.049 78 K CA 2.178 58.522 56.287 0.095 0.000 0.927 78 K CB -0.235 32.380 32.500 0.191 0.000 0.713 78 K HN 0.561 nan 8.250 nan 0.000 0.443 79 E N -0.111 120.128 120.200 0.065 0.000 2.110 79 E HA -0.222 4.128 4.350 0.001 0.000 0.193 79 E C 2.182 178.801 176.600 0.031 0.000 0.988 79 E CA 0.985 57.410 56.400 0.043 0.000 0.804 79 E CB -0.087 29.637 29.700 0.039 0.000 0.745 79 E HN 0.190 nan 8.360 nan 0.000 0.458 80 R N 1.246 121.764 120.500 0.030 0.000 2.081 80 R HA -0.091 4.249 4.340 0.001 0.000 0.235 80 R C 2.084 178.394 176.300 0.018 0.000 1.131 80 R CA 1.174 57.287 56.100 0.021 0.000 0.960 80 R CB -0.326 29.986 30.300 0.019 0.000 0.856 80 R HN 0.156 nan 8.270 nan 0.000 0.436 81 L N -0.545 120.689 121.223 0.019 0.000 2.109 81 L HA 0.053 4.393 4.340 0.001 0.000 0.207 81 L C 2.433 179.310 176.870 0.012 0.000 1.086 81 L CA 1.080 55.927 54.840 0.012 0.000 0.760 81 L CB -0.601 41.464 42.059 0.010 0.000 0.910 81 L HN 0.301 nan 8.230 nan 0.000 0.437 82 A N 0.149 122.980 122.820 0.018 0.000 2.019 82 A HA -0.076 4.245 4.320 0.001 0.000 0.219 82 A C 2.370 179.963 177.584 0.015 0.000 1.164 82 A CA 1.529 53.576 52.037 0.017 0.000 0.644 82 A CB -0.462 18.551 19.000 0.022 0.000 0.805 82 A HN 0.389 nan 8.150 nan 0.000 0.449 83 A N -0.791 122.038 122.820 0.015 0.000 2.169 83 A HA 0.390 4.710 4.320 0.001 0.000 0.212 83 A C 0.913 178.506 177.584 0.014 0.000 1.153 83 A CA -0.181 51.864 52.037 0.014 0.000 0.756 83 A CB -0.356 18.653 19.000 0.015 0.000 0.813 83 A HN 0.435 nan 8.150 nan 0.000 0.471 84 L N 1.858 123.089 121.223 0.013 0.000 2.456 84 L HA 0.160 4.500 4.340 0.001 0.000 0.272 84 L C -1.807 175.074 176.870 0.017 0.000 1.189 84 L CA -1.570 53.279 54.840 0.015 0.000 0.846 84 L CB 0.339 42.405 42.059 0.013 0.000 1.111 84 L HN 0.181 nan 8.230 nan 0.000 0.475 85 P HA 0.046 nan 4.420 nan 0.000 0.268 85 P C -0.734 176.581 177.300 0.026 0.000 1.205 85 P CA -0.227 62.886 63.100 0.022 0.000 0.771 85 P CB 0.542 32.256 31.700 0.025 0.000 0.858 86 E N 0.801 121.015 120.200 0.024 0.000 2.415 86 E HA 0.271 4.621 4.350 0.001 0.000 0.262 86 E C 1.170 177.793 176.600 0.039 0.000 1.038 86 E CA 0.668 57.084 56.400 0.026 0.000 0.921 86 E CB -0.076 29.638 29.700 0.023 0.000 0.950 86 E HN 0.803 nan 8.360 nan 0.000 0.438 87 G N 1.339 110.168 108.800 0.049 0.000 2.195 87 G HA2 -0.245 3.716 3.960 0.001 0.000 0.224 87 G HA3 -0.245 3.716 3.960 0.001 0.000 0.224 87 G C 0.050 175.009 174.900 0.098 0.000 0.990 87 G CA -0.105 45.039 45.100 0.072 0.000 0.639 87 G HN 0.405 nan 8.290 nan 0.000 0.514 88 V N 1.761 121.723 119.914 0.080 0.000 2.364 88 V HA 0.568 4.688 4.120 0.001 0.000 0.272 88 V C 0.177 176.336 176.094 0.109 0.000 1.036 88 V CA -0.639 61.719 62.300 0.098 0.000 0.880 88 V CB 1.234 33.095 31.823 0.064 0.000 0.991 88 V HN 0.337 nan 8.190 nan 0.000 0.460 89 F N 9.230 129.176 119.950 -0.007 0.000 2.444 89 F HA 0.448 4.976 4.527 0.000 0.000 0.360 89 F C -1.883 173.885 175.800 -0.053 0.000 1.106 89 F CA -1.889 56.089 58.000 -0.037 0.000 1.170 89 F CB 1.130 40.079 39.000 -0.084 0.000 1.113 89 F HN 0.326 nan 8.300 nan 0.000 0.521 90 P HA 0.335 nan 4.420 nan 0.000 0.296 90 P C -0.996 176.288 177.300 -0.026 0.000 1.306 90 P CA -0.236 62.833 63.100 -0.052 0.000 0.818 90 P CB 2.016 33.663 31.700 -0.087 0.000 0.969 91 I N 3.328 123.938 120.570 0.067 0.000 2.410 91 I HA 0.274 4.444 4.170 0.001 0.000 0.286 91 I C -0.181 175.942 176.117 0.009 0.000 1.009 91 I CA -1.120 60.216 61.300 0.060 0.000 1.111 91 I CB 2.265 40.308 38.000 0.071 0.000 1.262 91 I HN -0.005 nan 8.210 nan 0.000 0.443 92 V N 7.290 127.200 119.914 -0.006 0.000 2.370 92 V HA 0.383 4.503 4.120 0.001 0.000 0.279 92 V C 0.156 176.230 176.094 -0.033 0.000 1.029 92 V CA -0.561 61.731 62.300 -0.012 0.000 0.870 92 V CB 1.463 33.288 31.823 0.003 0.000 0.984 92 V HN 0.471 nan 8.190 nan 0.000 0.451 93 L N 5.004 126.205 121.223 -0.036 0.000 2.276 93 L HA 0.821 5.162 4.340 0.001 0.000 0.286 93 L C 0.772 177.612 176.870 -0.050 0.000 1.061 93 L CA 0.063 54.874 54.840 -0.048 0.000 0.807 93 L CB 1.093 43.127 42.059 -0.042 0.000 1.177 93 L HN 0.772 nan 8.230 nan 0.000 0.429 94 G N 1.146 109.905 108.800 -0.069 0.000 3.015 94 G HA2 0.676 4.636 3.960 0.001 0.000 0.281 94 G HA3 0.676 4.636 3.960 0.001 0.000 0.281 94 G C -0.253 174.605 174.900 -0.070 0.000 1.386 94 G CA 0.023 45.084 45.100 -0.065 0.000 0.959 94 G HN 0.665 nan 8.290 nan 0.000 0.522 95 G N -1.116 107.647 108.800 -0.061 0.000 3.157 95 G HA2 0.381 4.341 3.960 0.001 0.000 0.206 95 G HA3 0.381 4.341 3.960 0.001 0.000 0.206 95 G C -0.470 174.385 174.900 -0.075 0.000 1.903 95 G CA -0.226 44.835 45.100 -0.065 0.000 0.771 95 G HN 0.502 nan 8.290 nan 0.000 0.750 96 D N -0.023 120.346 120.400 -0.052 0.000 2.506 96 D HA 0.004 4.645 4.640 0.001 0.000 0.234 96 D C 0.791 177.126 176.300 0.059 0.000 1.143 96 D CA 0.440 54.429 54.000 -0.019 0.000 0.871 96 D CB 0.919 41.755 40.800 0.059 0.000 1.190 96 D HN 0.500 nan 8.370 nan 0.000 0.459 97 H N 0.731 119.807 119.070 0.011 0.000 2.545 97 H HA -0.071 4.485 4.556 0.001 0.000 0.282 97 H C 1.553 176.948 175.328 0.111 0.000 1.020 97 H CA 0.326 56.404 56.048 0.050 0.000 1.243 97 H CB 0.520 30.355 29.762 0.122 0.000 1.377 97 H HN 0.226 nan 8.280 nan 0.000 0.581 98 S N 0.694 116.537 115.700 0.239 0.000 2.400 98 S HA -0.180 4.290 4.470 0.001 0.000 0.232 98 S C 2.068 176.685 174.600 0.029 0.000 1.025 98 S CA 1.217 59.491 58.200 0.123 0.000 0.993 98 S CB -0.255 63.004 63.200 0.097 0.000 0.808 98 S HN 0.498 nan 8.310 nan 0.000 0.478 99 L N 0.838 122.086 121.223 0.041 0.000 2.261 99 L HA 0.042 4.382 4.340 0.001 0.000 0.216 99 L C 1.823 178.678 176.870 -0.025 0.000 1.114 99 L CA 1.444 56.272 54.840 -0.021 0.000 0.777 99 L CB -1.301 40.755 42.059 -0.004 0.000 0.910 99 L HN -0.027 nan 8.230 nan 0.000 0.440 100 S N -0.209 115.541 115.700 0.083 0.000 2.442 100 S HA -0.041 4.429 4.470 0.001 0.000 0.236 100 S C 1.848 176.440 174.600 -0.014 0.000 1.007 100 S CA 1.678 59.942 58.200 0.108 0.000 0.965 100 S CB -0.454 62.927 63.200 0.301 0.000 0.773 100 S HN 0.531 nan 8.310 nan 0.000 0.504 101 M N 0.586 120.093 119.600 -0.155 0.000 2.159 101 M HA -0.068 4.412 4.480 0.001 0.000 0.263 101 M C 2.415 178.437 176.300 -0.463 0.000 1.063 101 M CA 1.597 56.682 55.300 -0.359 0.000 1.110 101 M CB -0.664 31.515 32.600 -0.702 0.000 1.374 101 M HN 0.450 nan 8.290 nan 0.000 0.411 102 G N -0.375 108.142 108.800 -0.472 0.000 2.426 102 G HA2 -0.123 3.837 3.960 0.001 0.000 0.214 102 G HA3 -0.123 3.837 3.960 0.001 0.000 0.214 102 G C 1.641 176.507 174.900 -0.057 0.000 1.156 102 G CA 0.772 45.742 45.100 -0.218 0.000 0.802 102 G HN 0.535 nan 8.290 nan 0.000 0.534 103 S N 0.581 116.245 115.700 -0.060 0.000 2.355 103 S HA -0.091 4.379 4.470 0.001 0.000 0.222 103 S C 2.297 176.850 174.600 -0.078 0.000 1.031 103 S CA 1.446 59.636 58.200 -0.016 0.000 0.993 103 S CB -0.577 62.653 63.200 0.050 0.000 0.859 103 S HN 0.068 nan 8.310 nan 0.000 0.453 104 V N 2.828 122.626 119.914 -0.193 0.000 2.307 104 V HA -0.073 4.048 4.120 0.001 0.000 0.245 104 V C 3.210 179.231 176.094 -0.121 0.000 1.045 104 V CA 1.674 63.768 62.300 -0.344 0.000 1.024 104 V CB -1.578 30.056 31.823 -0.315 0.000 0.651 104 V HN 0.673 nan 8.190 nan 0.000 0.449 105 A N 0.510 123.315 122.820 -0.024 0.000 1.902 105 A HA -0.103 4.218 4.320 0.001 0.000 0.217 105 A C 2.384 179.993 177.584 0.042 0.000 1.181 105 A CA 2.075 54.142 52.037 0.051 0.000 0.623 105 A CB -1.168 17.939 19.000 0.178 0.000 0.818 105 A HN 0.536 nan 8.150 nan 0.000 0.443 106 G N -0.806 108.016 108.800 0.036 0.000 2.394 106 G HA2 0.098 4.058 3.960 0.001 0.000 0.214 106 G HA3 0.098 4.058 3.960 0.001 0.000 0.214 106 G C 1.701 176.608 174.900 0.011 0.000 1.176 106 G CA 1.159 46.279 45.100 0.032 0.000 0.786 106 G HN 0.801 nan 8.290 nan 0.000 0.533 107 A N 0.935 123.753 122.820 -0.003 0.000 2.067 107 A HA 0.402 4.723 4.320 0.001 0.000 0.219 107 A C 2.664 180.247 177.584 -0.003 0.000 1.158 107 A CA 1.808 53.842 52.037 -0.004 0.000 0.661 107 A CB -0.460 18.558 19.000 0.030 0.000 0.801 107 A HN 0.678 nan 8.150 nan 0.000 0.452 108 A N -0.728 122.089 122.820 -0.006 0.000 2.015 108 A HA 0.012 4.333 4.320 0.001 0.000 0.219 108 A C 1.373 178.962 177.584 0.009 0.000 1.163 108 A CA 0.954 52.993 52.037 0.004 0.000 0.646 108 A CB -0.345 18.656 19.000 0.001 0.000 0.806 108 A HN 0.538 nan 8.150 nan 0.000 0.448 109 R N -2.554 117.952 120.500 0.009 0.000 3.525 109 R HA -0.230 4.110 4.340 0.001 0.000 0.276 109 R C 1.039 177.345 176.300 0.011 0.000 1.116 109 R CA 0.444 56.550 56.100 0.010 0.000 0.745 109 R CB -2.496 27.809 30.300 0.009 0.000 1.185 109 R HN 1.595 nan 8.270 nan 0.000 0.454 110 G N -0.423 108.384 108.800 0.012 0.000 2.189 110 G HA2 -0.414 3.547 3.960 0.001 0.000 0.267 110 G HA3 -0.414 3.547 3.960 0.001 0.000 0.267 110 G C 0.262 175.168 174.900 0.011 0.000 0.975 110 G CA 0.849 45.956 45.100 0.011 0.000 0.644 110 G HN 0.455 nan 8.290 nan 0.000 0.537 111 R N 0.507 121.014 120.500 0.012 0.000 2.596 111 R HA 0.680 5.020 4.340 0.001 0.000 0.267 111 R C 0.639 176.948 176.300 0.016 0.000 1.026 111 R CA -1.362 54.746 56.100 0.013 0.000 1.087 111 R CB 0.333 30.642 30.300 0.014 0.000 1.132 111 R HN 0.258 nan 8.270 nan 0.000 0.531 112 R N 1.953 122.463 120.500 0.016 0.000 2.370 112 R HA 0.291 4.631 4.340 0.001 0.000 0.309 112 R C -0.792 175.524 176.300 0.027 0.000 1.059 112 R CA -0.150 55.962 56.100 0.019 0.000 0.981 112 R CB -0.033 30.275 30.300 0.014 0.000 0.972 112 R HN 0.461 nan 8.270 nan 0.000 0.437 113 V N 1.282 121.217 119.914 0.035 0.000 2.876 113 V HA 0.782 4.902 4.120 0.001 0.000 0.312 113 V C 0.086 176.221 176.094 0.070 0.000 1.085 113 V CA -0.841 61.490 62.300 0.053 0.000 0.945 113 V CB 1.853 33.711 31.823 0.059 0.000 1.017 113 V HN 0.787 nan 8.190 nan 0.000 0.428 114 G N 1.409 110.261 108.800 0.087 0.000 2.420 114 G HA2 0.583 4.544 3.960 0.001 0.000 0.284 114 G HA3 0.583 4.544 3.960 0.001 0.000 0.284 114 G C -0.912 174.083 174.900 0.158 0.000 1.177 114 G CA -0.629 44.536 45.100 0.108 0.000 0.841 114 G HN 1.098 nan 8.290 nan 0.000 0.527 115 V N 1.893 121.919 119.914 0.186 0.000 2.444 115 V HA 0.308 4.428 4.120 0.001 0.000 0.294 115 V C -0.251 176.014 176.094 0.285 0.000 1.022 115 V CA -0.654 61.807 62.300 0.268 0.000 0.850 115 V CB 1.712 33.703 31.823 0.280 0.000 0.992 115 V HN 0.518 nan 8.190 nan 0.000 0.426 116 V N 4.622 124.705 119.914 0.282 0.000 2.311 116 V HA 0.302 4.423 4.120 0.001 0.000 0.275 116 V C -0.377 175.902 176.094 0.308 0.000 1.022 116 V CA -0.495 61.953 62.300 0.247 0.000 0.830 116 V CB 1.281 33.194 31.823 0.151 0.000 1.012 116 V HN 0.896 nan 8.190 nan 0.000 0.452 117 W N 6.080 127.456 121.300 0.127 0.000 2.311 117 W HA 0.504 5.164 4.660 0.001 0.000 0.317 117 W C -0.896 175.696 176.519 0.122 0.000 1.065 117 W CA -0.524 56.905 57.345 0.141 0.000 1.364 117 W CB 1.742 31.275 29.460 0.121 0.000 1.233 117 W HN 0.360 nan 8.180 nan 0.000 0.409 118 V N 6.532 126.495 119.914 0.083 0.000 2.304 118 V HA 0.249 4.369 4.120 0.001 0.000 0.269 118 V C -0.124 175.989 176.094 0.032 0.000 1.036 118 V CA -0.066 62.270 62.300 0.060 0.000 0.840 118 V CB 0.855 32.672 31.823 -0.011 0.000 1.036 118 V HN 0.409 nan 8.190 nan 0.000 0.466 119 D N 2.989 123.476 120.400 0.145 0.000 2.654 119 D HA 0.518 5.158 4.640 0.001 0.000 0.231 119 D C 0.499 176.882 176.300 0.138 0.000 1.239 119 D CA -0.086 54.022 54.000 0.179 0.000 0.790 119 D CB 2.791 43.831 40.800 0.401 0.000 1.480 119 D HN 0.352 nan 8.370 nan 0.000 0.442 120 A N 1.515 124.368 122.820 0.055 0.000 2.119 120 A HA 0.078 4.398 4.320 0.001 0.000 0.216 120 A C 0.318 177.722 177.584 -0.300 0.000 1.152 120 A CA 1.113 53.062 52.037 -0.146 0.000 0.708 120 A CB -0.291 18.552 19.000 -0.262 0.000 0.805 120 A HN 0.560 nan 8.150 nan 0.000 0.460 121 H N -3.663 115.522 119.070 0.191 0.000 2.737 121 H HA 0.659 5.215 4.556 0.001 0.000 0.358 121 H C 0.896 176.371 175.328 0.245 0.000 1.187 121 H CA -0.112 56.053 56.048 0.194 0.000 1.221 121 H CB 1.699 31.582 29.762 0.202 0.000 1.799 121 H HN 0.029 nan 8.280 nan 0.000 0.568 122 A N -0.070 122.924 122.820 0.289 0.000 2.169 122 A HA 0.048 4.368 4.320 0.001 0.000 0.210 122 A C 0.166 177.795 177.584 0.074 0.000 1.168 122 A CA 0.394 52.516 52.037 0.142 0.000 0.813 122 A CB -0.168 18.863 19.000 0.052 0.000 0.861 122 A HN 0.845 nan 8.150 nan 0.000 0.481 123 D N -2.105 118.403 120.400 0.181 0.000 2.701 123 D HA -0.206 4.434 4.640 0.001 0.000 0.235 123 D C -0.184 176.112 176.300 -0.007 0.000 1.155 123 D CA 0.844 54.901 54.000 0.095 0.000 0.649 123 D CB -1.456 39.420 40.800 0.127 0.000 1.050 123 D HN 0.485 nan 8.370 nan 0.000 0.425 124 F N 0.679 120.554 119.950 -0.125 0.000 2.772 124 F HA 0.234 4.761 4.527 0.001 0.000 0.302 124 F C 0.850 176.603 175.800 -0.078 0.000 1.136 124 F CA -0.517 57.398 58.000 -0.141 0.000 1.322 124 F CB 0.114 39.030 39.000 -0.140 0.000 0.967 124 F HN -0.188 nan 8.300 nan 0.000 0.513 125 N N -0.363 118.317 118.700 -0.034 0.000 2.445 125 N HA 0.406 5.147 4.740 0.001 0.000 0.264 125 N C 0.023 175.465 175.510 -0.114 0.000 1.227 125 N CA 0.035 53.060 53.050 -0.042 0.000 0.963 125 N CB 0.884 39.364 38.487 -0.012 0.000 1.188 125 N HN 0.141 nan 8.380 nan 0.000 0.491 126 T N -2.564 111.943 114.554 -0.079 0.000 2.926 126 T HA 0.384 4.735 4.350 0.001 0.000 0.289 126 T C -2.247 172.432 174.700 -0.035 0.000 1.054 126 T CA -1.838 60.217 62.100 -0.076 0.000 1.015 126 T CB 1.779 70.600 68.868 -0.079 0.000 1.167 126 T HN 0.111 nan 8.240 nan 0.000 0.526 127 P HA -0.056 nan 4.420 nan 0.000 0.218 127 P C 1.023 178.321 177.300 -0.004 0.000 1.148 127 P CA 1.051 64.155 63.100 0.006 0.000 0.822 127 P CB 0.089 31.818 31.700 0.049 0.000 0.784 128 E N -1.226 118.968 120.200 -0.011 0.000 2.072 128 E HA -0.114 4.237 4.350 0.001 0.000 0.190 128 E C 1.983 178.579 176.600 -0.007 0.000 0.982 128 E CA 1.812 58.206 56.400 -0.010 0.000 0.803 128 E CB -1.462 28.229 29.700 -0.014 0.000 0.755 128 E HN 0.351 nan 8.360 nan 0.000 0.453 129 T N -2.948 111.601 114.554 -0.008 0.000 3.085 129 T HA 0.209 4.559 4.350 0.001 0.000 0.263 129 T C 0.699 175.401 174.700 0.004 0.000 1.127 129 T CA 0.389 62.490 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 0.046 nan 8.240 nan 0.000 0.510 133 G N 1.174 109.948 108.800 -0.043 0.000 2.162 133 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 133 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 133 G C -0.110 174.732 174.900 -0.098 0.000 0.976 133 G CA 0.224 45.291 45.100 -0.056 0.000 0.655 133 G HN 0.796 nan 8.290 nan 0.000 0.533 134 N N -0.024 118.583 118.700 -0.156 0.000 2.452 134 N HA 0.316 5.056 4.740 0.001 0.000 0.266 134 N C 1.591 176.901 175.510 -0.333 0.000 1.209 134 N CA -0.107 52.736 53.050 -0.344 0.000 0.929 134 N CB 1.427 39.545 38.487 -0.616 0.000 1.063 134 N HN 0.016 nan 8.380 nan 0.000 0.472 135 V N 2.238 121.999 119.914 -0.256 0.000 2.515 135 V HA -0.229 3.891 4.120 0.001 0.000 0.250 135 V C 1.577 177.624 176.094 -0.078 0.000 1.058 135 V CA 1.566 63.792 62.300 -0.122 0.000 1.064 135 V CB -0.978 30.822 31.823 -0.038 0.000 0.675 135 V HN 0.807 nan 8.190 nan 0.000 0.461 136 H N 0.115 119.210 119.070 0.042 0.000 2.567 136 H HA 0.165 4.721 4.556 0.001 0.000 0.276 136 H C 1.625 176.997 175.328 0.074 0.000 1.016 136 H CA 0.910 56.999 56.048 0.069 0.000 1.186 136 H CB -0.628 29.180 29.762 0.076 0.000 1.351 136 H HN 0.329 nan 8.280 nan 0.000 0.605 137 G N -0.262 108.569 108.800 0.051 0.000 3.453 137 G HA2 0.242 4.202 3.960 0.001 0.000 0.263 137 G HA3 0.242 4.202 3.960 0.001 0.000 0.263 137 G C 0.668 175.576 174.900 0.013 0.000 1.060 137 G CA -0.123 45.020 45.100 0.072 0.000 0.793 137 G HN 0.476 nan 8.290 nan 0.000 0.532 138 M N 0.155 119.744 119.600 -0.018 0.000 2.268 138 M HA 0.200 4.680 4.480 0.001 0.000 0.355 138 M C -1.323 174.902 176.300 -0.126 0.000 0.938 138 M CA -0.491 54.757 55.300 -0.087 0.000 1.025 138 M CB 0.954 33.504 32.600 -0.084 0.000 1.773 138 M HN -0.120 nan 8.290 nan 0.000 0.613 139 P HA -0.192 nan 4.420 nan 0.000 0.216 139 P C 1.589 178.746 177.300 -0.237 0.000 1.153 139 P CA 1.279 64.330 63.100 -0.081 0.000 0.858 139 P CB 0.147 31.891 31.700 0.074 0.000 0.789 140 L N -0.223 120.701 121.223 -0.498 0.000 2.093 140 L HA -0.002 4.338 4.340 0.001 0.000 0.208 140 L C 2.572 179.187 176.870 -0.425 0.000 1.085 140 L CA 1.764 56.202 54.840 -0.669 0.000 0.755 140 L CB -1.613 39.816 42.059 -1.050 0.000 0.904 140 L HN -0.084 nan 8.230 nan 0.000 0.435 141 A N -1.106 121.345 122.820 -0.615 0.000 1.858 141 A HA -0.148 4.172 4.320 0.001 0.000 0.216 141 A C 2.260 179.566 177.584 -0.463 0.000 1.190 141 A CA 2.021 53.465 52.037 -0.988 0.000 0.617 141 A CB -1.147 17.316 19.000 -0.896 0.000 0.827 141 A HN 0.247 nan 8.150 nan 0.000 0.443 142 V N 0.271 120.022 119.914 -0.272 0.000 2.252 142 V HA -0.321 3.800 4.120 0.001 0.000 0.249 142 V C 2.589 178.644 176.094 -0.065 0.000 1.056 142 V CA 2.224 64.458 62.300 -0.110 0.000 1.022 142 V CB -0.888 30.927 31.823 -0.015 0.000 0.641 142 V HN 0.580 nan 8.190 nan 0.000 0.445 143 L N -0.081 121.096 121.223 -0.076 0.000 2.127 143 L HA -0.167 4.173 4.340 0.001 0.000 0.211 143 L C 2.254 179.107 176.870 -0.027 0.000 1.089 143 L CA 1.556 56.381 54.840 -0.025 0.000 0.757 143 L CB -0.453 41.582 42.059 -0.039 0.000 0.899 143 L HN 0.294 nan 8.230 nan 0.000 0.434 144 S N -0.678 114.979 115.700 -0.073 0.000 2.593 144 S HA 0.167 4.638 4.470 0.001 0.000 0.217 144 S C 1.359 175.935 174.600 -0.040 0.000 0.966 144 S CA 0.657 58.843 58.200 -0.023 0.000 0.914 144 S CB 0.404 63.631 63.200 0.046 0.000 0.776 144 S HN 0.655 nan 8.310 nan 0.000 0.523 145 G N 1.192 109.955 108.800 -0.061 0.000 2.132 145 G HA2 -0.207 3.753 3.960 0.001 0.000 0.234 145 G HA3 -0.207 3.753 3.960 0.001 0.000 0.234 145 G C -0.198 174.655 174.900 -0.079 0.000 0.989 145 G CA -0.268 44.802 45.100 -0.050 0.000 0.676 145 G HN 0.448 nan 8.290 nan 0.000 0.522 146 L N -0.113 121.024 121.223 -0.144 0.000 2.341 146 L HA 0.790 5.130 4.340 0.001 0.000 0.278 146 L C 0.845 177.620 176.870 -0.159 0.000 1.005 146 L CA -0.098 54.643 54.840 -0.165 0.000 0.818 146 L CB 1.761 43.668 42.059 -0.254 0.000 1.259 146 L HN 0.967 nan 8.230 nan 0.000 0.418 147 G N 0.718 109.457 108.800 -0.102 0.000 2.293 147 G HA2 -0.107 3.853 3.960 0.001 0.000 0.282 147 G HA3 -0.107 3.853 3.960 0.001 0.000 0.282 147 G C -1.251 173.641 174.900 -0.013 0.000 1.299 147 G CA -0.883 44.182 45.100 -0.059 0.000 1.018 147 G HN 0.722 nan 8.290 nan 0.000 0.478 148 H N 1.790 120.834 119.070 -0.044 0.000 3.034 148 H HA 0.336 4.892 4.556 0.001 0.000 0.324 148 H C -1.064 174.249 175.328 -0.024 0.000 1.015 148 H CA 0.259 56.291 56.048 -0.028 0.000 1.429 148 H CB 1.249 31.003 29.762 -0.014 0.000 1.429 148 H HN 0.150 nan 8.280 nan 0.000 0.585 149 P HA -0.205 nan 4.420 nan 0.000 0.216 149 P C 1.372 178.706 177.300 0.057 0.000 1.150 149 P CA 1.122 64.173 63.100 -0.082 0.000 0.843 149 P CB 0.298 31.897 31.700 -0.169 0.000 0.787 150 R N -0.836 119.838 120.500 0.290 0.000 2.159 150 R HA -0.029 4.311 4.340 0.001 0.000 0.237 150 R C 2.093 178.444 176.300 0.085 0.000 1.131 150 R CA 1.060 57.279 56.100 0.198 0.000 0.982 150 R CB -1.150 29.284 30.300 0.223 0.000 0.868 150 R HN 0.340 nan 8.270 nan 0.000 0.453 151 L N -0.771 120.543 121.223 0.152 0.000 2.269 151 L HA -0.006 4.334 4.340 0.001 0.000 0.200 151 L C 2.393 179.323 176.870 0.099 0.000 1.069 151 L CA 1.207 56.154 54.840 0.180 0.000 0.804 151 L CB -0.739 41.469 42.059 0.250 0.000 0.987 151 L HN 0.163 nan 8.230 nan 0.000 0.468 152 T N -1.698 112.893 114.554 0.062 0.000 2.833 152 T HA -0.204 4.146 4.350 0.001 0.000 0.269 152 T C 1.550 176.223 174.700 -0.044 0.000 1.054 152 T CA 1.333 63.444 62.100 0.019 0.000 1.135 152 T CB -0.470 68.393 68.868 -0.008 0.000 0.869 152 T HN 0.554 nan 8.240 nan 0.000 0.466 153 E N 1.820 121.973 120.200 -0.077 0.000 2.160 153 E HA -0.115 4.236 4.350 0.001 0.000 0.195 153 E C 2.085 178.582 176.600 -0.173 0.000 0.991 153 E CA 1.631 57.968 56.400 -0.105 0.000 0.810 153 E CB -0.556 29.088 29.700 -0.093 0.000 0.742 153 E HN 0.655 nan 8.360 nan 0.000 0.466 154 V N -3.725 115.990 119.914 -0.333 0.000 3.604 154 V HA 0.244 4.364 4.120 0.001 0.000 0.277 154 V C 0.945 176.727 176.094 -0.520 0.000 1.399 154 V CA -0.238 61.766 62.300 -0.494 0.000 1.034 154 V CB -0.318 31.064 31.823 -0.735 0.000 0.824 154 V HN 0.086 nan 8.190 nan 0.000 0.439 155 F N 0.598 120.544 119.950 -0.007 0.000 2.728 155 F HA 0.496 5.023 4.527 0.000 0.000 0.314 155 F C 1.254 177.041 175.800 -0.021 0.000 1.094 155 F CA -1.295 56.698 58.000 -0.011 0.000 1.217 155 F CB -0.027 38.969 39.000 -0.007 0.000 1.056 155 F HN -0.007 nan 8.300 nan 0.000 0.577 156 R N 1.419 121.978 120.500 0.099 0.000 2.502 156 R HA 0.315 4.656 4.340 0.001 0.000 0.292 156 R C 0.486 176.815 176.300 0.048 0.000 0.998 156 R CA 0.950 57.080 56.100 0.050 0.000 1.056 156 R CB 0.382 30.688 30.300 0.010 0.000 0.939 156 R HN 0.231 nan 8.270 nan 0.000 0.411 157 A N 3.961 126.805 122.820 0.040 0.000 2.736 157 A HA 0.185 4.506 4.320 0.001 0.000 0.222 157 A C -0.869 176.729 177.584 0.024 0.000 1.267 157 A CA -0.185 51.871 52.037 0.032 0.000 1.026 157 A CB 0.794 19.818 19.000 0.040 0.000 1.281 157 A HN 0.464 nan 8.150 nan 0.000 0.577 158 V N 0.313 120.242 119.914 0.025 0.000 2.971 158 V HA 0.471 4.591 4.120 0.001 0.000 0.309 158 V C -1.864 174.251 176.094 0.035 0.000 1.130 158 V CA -0.696 61.624 62.300 0.033 0.000 0.964 158 V CB 2.000 33.849 31.823 0.044 0.000 1.029 158 V HN 0.318 nan 8.190 nan 0.000 0.427 159 D N 5.589 126.011 120.400 0.036 0.000 2.308 159 D HA 0.350 4.990 4.640 0.001 0.000 0.251 159 D C -1.832 174.501 176.300 0.054 0.000 1.127 159 D CA -1.652 52.370 54.000 0.037 0.000 0.876 159 D CB 2.437 43.252 40.800 0.024 0.000 1.176 159 D HN 0.310 nan 8.370 nan 0.000 0.446 160 P HA -0.155 nan 4.420 nan 0.000 0.218 160 P C 0.716 178.056 177.300 0.066 0.000 1.146 160 P CA 1.453 64.604 63.100 0.084 0.000 0.820 160 P CB 0.252 32.012 31.700 0.101 0.000 0.778 161 K N -1.127 119.309 120.400 0.060 0.000 2.432 161 K HA -0.027 4.293 4.320 0.001 0.000 0.196 161 K C 0.383 177.023 176.600 0.066 0.000 1.038 161 K CA 0.730 57.061 56.287 0.073 0.000 0.986 161 K CB -0.133 32.382 32.500 0.025 0.000 0.782 161 K HN 0.193 nan 8.250 nan 0.000 0.485 162 D N 0.803 121.239 120.400 0.060 0.000 2.463 162 D HA 0.069 4.709 4.640 0.001 0.000 0.224 162 D C -0.568 175.805 176.300 0.122 0.000 1.174 162 D CA 0.149 54.186 54.000 0.060 0.000 0.829 162 D CB 0.714 41.537 40.800 0.039 0.000 0.993 162 D HN -0.161 nan 8.370 nan 0.000 0.497 163 V N 0.772 120.772 119.914 0.143 0.000 2.555 163 V HA 0.469 4.589 4.120 0.001 0.000 0.302 163 V C -0.035 176.142 176.094 0.140 0.000 1.038 163 V CA -0.775 61.606 62.300 0.135 0.000 0.887 163 V CB 2.755 34.620 31.823 0.071 0.000 0.991 163 V HN -0.217 nan 8.190 nan 0.000 0.434 164 V N 5.694 125.706 119.914 0.165 0.000 2.623 164 V HA 0.492 4.612 4.120 0.001 0.000 0.304 164 V C -0.562 175.644 176.094 0.188 0.000 1.054 164 V CA -0.484 61.905 62.300 0.149 0.000 0.882 164 V CB 1.937 33.893 31.823 0.221 0.000 1.002 164 V HN 0.646 nan 8.190 nan 0.000 0.424 165 L N 4.836 126.139 121.223 0.135 0.000 2.309 165 L HA 0.753 5.093 4.340 0.001 0.000 0.282 165 L C -0.788 176.219 176.870 0.228 0.000 1.036 165 L CA -0.661 54.291 54.840 0.187 0.000 0.806 165 L CB 1.941 44.045 42.059 0.075 0.000 1.220 165 L HN 0.402 nan 8.230 nan 0.000 0.429 166 V N 1.669 121.719 119.914 0.227 0.000 2.577 166 V HA 0.620 4.740 4.120 0.001 0.000 0.303 166 V C 0.576 176.749 176.094 0.133 0.000 1.042 166 V CA 0.056 62.469 62.300 0.187 0.000 0.872 166 V CB 1.407 33.302 31.823 0.119 0.000 0.998 166 V HN 0.969 nan 8.190 nan 0.000 0.423 167 G N 3.633 112.500 108.800 0.111 0.000 2.175 167 G HA2 -0.188 3.772 3.960 0.001 0.000 0.244 167 G HA3 -0.188 3.772 3.960 0.001 0.000 0.244 167 G C 0.116 175.050 174.900 0.057 0.000 0.982 167 G CA -0.042 45.099 45.100 0.069 0.000 0.641 167 G HN 0.814 nan 8.290 nan 0.000 0.527 168 V N 1.605 121.564 119.914 0.075 0.000 2.673 168 V HA 0.372 4.492 4.120 0.001 0.000 0.303 168 V C 1.522 177.623 176.094 0.013 0.000 1.046 168 V CA 1.412 63.737 62.300 0.042 0.000 1.126 168 V CB 1.116 32.972 31.823 0.055 0.000 0.934 168 V HN 0.698 nan 8.190 nan 0.000 0.487 169 R N 1.798 122.276 120.500 -0.036 0.000 2.519 169 R HA 0.341 4.682 4.340 0.001 0.000 0.375 169 R C -0.010 176.268 176.300 -0.037 0.000 0.926 169 R CA -0.098 55.986 56.100 -0.026 0.000 1.166 169 R CB 0.698 30.982 30.300 -0.027 0.000 1.626 169 R HN 0.529 nan 8.270 nan 0.000 0.529 170 S N 1.127 116.796 115.700 -0.050 0.000 2.689 170 S HA 0.565 5.035 4.470 0.001 0.000 0.274 170 S C -1.396 173.260 174.600 0.093 0.000 1.176 170 S CA -0.589 57.619 58.200 0.014 0.000 1.014 170 S CB 0.919 64.121 63.200 0.003 0.000 1.071 170 S HN 0.274 nan 8.310 nan 0.000 0.478 171 L N 3.248 124.522 121.223 0.084 0.000 2.388 171 L HA 0.636 4.977 4.340 0.001 0.000 0.264 171 L C -0.744 176.173 176.870 0.077 0.000 0.998 171 L CA -1.053 53.841 54.840 0.089 0.000 0.817 171 L CB 2.089 44.177 42.059 0.047 0.000 1.338 171 L HN 0.524 nan 8.230 nan 0.000 0.414 172 D N 1.653 122.101 120.400 0.080 0.000 2.253 172 D HA 0.219 4.860 4.640 0.001 0.000 0.249 172 D C -1.728 174.599 176.300 0.044 0.000 1.049 172 D CA -1.411 52.625 54.000 0.060 0.000 0.929 172 D CB 1.874 42.710 40.800 0.060 0.000 1.176 172 D HN 0.201 nan 8.370 nan 0.000 0.437 173 P HA -0.135 nan 4.420 nan 0.000 0.215 173 P C 1.403 178.718 177.300 0.026 0.000 1.157 173 P CA 1.400 64.513 63.100 0.023 0.000 0.874 173 P CB 0.211 31.922 31.700 0.018 0.000 0.790 174 G N -0.344 108.475 108.800 0.030 0.000 2.422 174 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 174 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 174 G C 1.499 176.433 174.900 0.057 0.000 1.146 174 G CA 0.571 45.691 45.100 0.034 0.000 0.769 174 G HN 0.279 nan 8.290 nan 0.000 0.547 175 E N 0.427 120.669 120.200 0.071 0.000 2.077 175 E HA -0.130 4.221 4.350 0.001 0.000 0.193 175 E C 2.558 179.202 176.600 0.073 0.000 0.989 175 E CA 1.001 57.468 56.400 0.113 0.000 0.800 175 E CB -0.072 29.694 29.700 0.110 0.000 0.746 175 E HN 0.404 nan 8.360 nan 0.000 0.452 176 K N 0.492 120.910 120.400 0.030 0.000 2.032 176 K HA -0.175 4.146 4.320 0.001 0.000 0.209 176 K C 2.256 178.851 176.600 -0.007 0.000 1.048 176 K CA 1.150 57.432 56.287 -0.008 0.000 0.927 176 K CB -0.186 32.308 32.500 -0.009 0.000 0.712 176 K HN 0.036 nan 8.250 nan 0.000 0.441 177 R N 0.868 121.377 120.500 0.015 0.000 2.080 177 R HA -0.101 4.240 4.340 0.001 0.000 0.236 177 R C 2.479 178.802 176.300 0.037 0.000 1.137 177 R CA 1.414 57.524 56.100 0.017 0.000 0.943 177 R CB -0.533 29.780 30.300 0.021 0.000 0.846 177 R HN 0.175 nan 8.270 nan 0.000 0.431 178 L N 0.665 121.943 121.223 0.092 0.000 2.046 178 L HA -0.218 4.122 4.340 0.001 0.000 0.208 178 L C 2.488 179.455 176.870 0.162 0.000 1.077 178 L CA 1.239 56.191 54.840 0.186 0.000 0.747 178 L CB -0.502 41.742 42.059 0.308 0.000 0.896 178 L HN 0.227 nan 8.230 nan 0.000 0.432 179 L N -0.382 120.826 121.223 -0.024 0.000 2.017 179 L HA -0.239 4.101 4.340 0.001 0.000 0.208 179 L C 2.735 179.494 176.870 -0.185 0.000 1.073 179 L CA 1.489 56.123 54.840 -0.344 0.000 0.745 179 L CB -0.468 41.361 42.059 -0.384 0.000 0.894 179 L HN 0.214 nan 8.230 nan 0.000 0.432 180 K N -0.181 120.158 120.400 -0.100 0.000 2.057 180 K HA -0.183 4.137 4.320 0.001 0.000 0.206 180 K C 2.030 178.605 176.600 -0.041 0.000 1.050 180 K CA 1.353 57.596 56.287 -0.074 0.000 0.935 180 K CB -0.119 32.348 32.500 -0.054 0.000 0.715 180 K HN 0.342 nan 8.250 nan 0.000 0.439 181 E N 0.456 120.651 120.200 -0.009 0.000 2.058 181 E HA -0.190 4.160 4.350 0.001 0.000 0.194 181 E C 1.897 178.509 176.600 0.019 0.000 0.997 181 E CA 1.232 57.639 56.400 0.011 0.000 0.801 181 E CB -0.074 29.646 29.700 0.033 0.000 0.746 181 E HN 0.318 nan 8.360 nan 0.000 0.450 182 A N 0.034 122.876 122.820 0.038 0.000 2.119 182 A HA 0.111 4.432 4.320 0.001 0.000 0.217 182 A C 1.722 179.307 177.584 0.001 0.000 1.153 182 A CA 1.027 53.096 52.037 0.054 0.000 0.692 182 A CB -0.382 18.716 19.000 0.163 0.000 0.799 182 A HN 0.375 nan 8.150 nan 0.000 0.458 183 G N -1.095 107.680 108.800 -0.043 0.000 2.182 183 G HA2 -0.163 3.797 3.960 0.001 0.000 0.248 183 G HA3 -0.163 3.797 3.960 0.001 0.000 0.248 183 G C 0.051 174.909 174.900 -0.070 0.000 1.042 183 G CA 0.129 45.200 45.100 -0.047 0.000 0.775 183 G HN 0.774 nan 8.290 nan 0.000 0.501 184 V N 0.400 120.221 119.914 -0.156 0.000 2.555 184 V HA 0.415 4.535 4.120 0.001 0.000 0.286 184 V C 1.163 177.126 176.094 -0.217 0.000 1.044 184 V CA -0.399 61.783 62.300 -0.196 0.000 1.026 184 V CB 1.339 32.920 31.823 -0.403 0.000 0.981 184 V HN 0.562 nan 8.190 nan 0.000 0.480 185 R N 4.714 125.086 120.500 -0.213 0.000 2.316 185 R HA 0.373 4.713 4.340 0.001 0.000 0.314 185 R C -1.108 174.979 176.300 -0.355 0.000 1.069 185 R CA 0.183 56.059 56.100 -0.372 0.000 0.959 185 R CB 0.371 30.314 30.300 -0.596 0.000 0.987 185 R HN 0.479 nan 8.270 nan 0.000 0.446 186 V N 6.775 126.438 119.914 -0.418 0.000 2.487 186 V HA 0.340 4.460 4.120 0.001 0.000 0.298 186 V C -1.073 174.786 176.094 -0.393 0.000 1.028 186 V CA -0.704 61.413 62.300 -0.305 0.000 0.860 186 V CB 1.411 33.109 31.823 -0.208 0.000 0.991 186 V HN 0.639 nan 8.190 nan 0.000 0.427 187 Y N 3.024 123.309 120.300 -0.024 0.000 2.587 187 Y HA 0.444 4.995 4.550 0.001 0.000 0.328 187 Y C 1.140 177.049 175.900 0.016 0.000 0.980 187 Y CA -0.661 57.438 58.100 -0.003 0.000 1.272 187 Y CB 1.381 39.840 38.460 -0.002 0.000 1.094 187 Y HN 0.789 nan 8.280 nan 0.000 0.503 188 T N -1.286 113.345 114.554 0.128 0.000 2.754 188 T HA 0.100 4.451 4.350 0.001 0.000 0.286 188 T C 1.465 176.239 174.700 0.122 0.000 0.997 188 T CA -0.807 61.355 62.100 0.102 0.000 0.982 188 T CB 0.728 69.641 68.868 0.075 0.000 1.027 188 T HN 0.450 nan 8.240 nan 0.000 0.529 189 M N 0.451 120.105 119.600 0.090 0.000 2.358 189 M HA -0.092 4.389 4.480 0.001 0.000 0.264 189 M C 2.072 178.419 176.300 0.077 0.000 1.064 189 M CA 1.367 56.708 55.300 0.069 0.000 1.093 189 M CB -1.773 30.854 32.600 0.045 0.000 1.401 189 M HN 0.842 nan 8.290 nan 0.000 0.440 190 H N 0.522 119.610 119.070 0.029 0.000 2.326 190 H HA -0.135 4.421 4.556 0.001 0.000 0.301 190 H C 1.379 176.731 175.328 0.039 0.000 1.081 190 H CA 1.939 58.002 56.048 0.026 0.000 1.334 190 H CB 0.299 30.072 29.762 0.017 0.000 1.385 190 H HN 0.274 nan 8.280 nan 0.000 0.504 191 E N 0.127 120.422 120.200 0.158 0.000 2.106 191 E HA -0.076 4.275 4.350 0.001 0.000 0.192 191 E C 2.615 179.246 176.600 0.051 0.000 0.984 191 E CA 0.908 57.391 56.400 0.138 0.000 0.806 191 E CB -0.128 29.744 29.700 0.285 0.000 0.750 191 E HN 0.217 nan 8.360 nan 0.000 0.458 192 V N 1.628 121.571 119.914 0.048 0.000 2.287 192 V HA -0.272 3.848 4.120 0.001 0.000 0.248 192 V C 1.549 177.622 176.094 -0.034 0.000 1.053 192 V CA 2.066 64.366 62.300 0.001 0.000 1.027 192 V CB -0.444 31.386 31.823 0.010 0.000 0.646 192 V HN 0.255 nan 8.190 nan 0.000 0.447 193 D N -0.610 119.755 120.400 -0.059 0.000 2.144 193 D HA -0.137 4.503 4.640 0.001 0.000 0.200 193 D C 2.363 178.601 176.300 -0.104 0.000 0.978 193 D CA 1.119 55.070 54.000 -0.082 0.000 0.833 193 D CB -0.185 40.553 40.800 -0.103 0.000 0.961 193 D HN 0.318 nan 8.370 nan 0.000 0.470 194 R N -0.099 120.309 120.500 -0.153 0.000 2.073 194 R HA 0.057 4.397 4.340 0.001 0.000 0.229 194 R C 2.251 178.518 176.300 -0.055 0.000 1.120 194 R CA 0.643 56.666 56.100 -0.129 0.000 0.967 194 R CB 0.054 30.250 30.300 -0.174 0.000 0.862 194 R HN 0.177 nan 8.270 nan 0.000 0.436 195 L N -1.244 119.958 121.223 -0.034 0.000 2.408 195 L HA 0.296 4.637 4.340 0.001 0.000 0.215 195 L C 0.742 177.591 176.870 -0.035 0.000 1.081 195 L CA 0.269 55.096 54.840 -0.021 0.000 0.840 195 L CB 0.250 42.308 42.059 -0.002 0.000 1.002 195 L HN 0.352 nan 8.230 nan 0.000 0.468 196 G N -0.329 108.445 108.800 -0.043 0.000 2.721 196 G HA2 -0.174 3.787 3.960 0.001 0.000 0.686 196 G HA3 -0.174 3.787 3.960 0.001 0.000 0.686 196 G C 0.206 175.068 174.900 -0.063 0.000 1.236 196 G CA -0.446 44.628 45.100 -0.043 0.000 0.786 196 G HN -0.215 nan 8.290 nan 0.000 0.616 197 V N 1.903 121.782 119.914 -0.058 0.000 2.407 197 V HA -0.125 3.995 4.120 0.001 0.000 0.248 197 V C 3.338 179.384 176.094 -0.080 0.000 1.055 197 V CA 3.367 65.621 62.300 -0.076 0.000 1.049 197 V CB -1.256 30.536 31.823 -0.052 0.000 0.662 197 V HN 1.736 nan 8.190 nan 0.000 0.455 198 A N 0.254 123.042 122.820 -0.054 0.000 1.873 198 A HA -0.311 4.010 4.320 0.001 0.000 0.218 198 A C 2.422 179.971 177.584 -0.059 0.000 1.193 198 A CA 2.401 54.411 52.037 -0.046 0.000 0.629 198 A CB -0.611 18.373 19.000 -0.027 0.000 0.826 198 A HN 0.505 nan 8.150 nan 0.000 0.447 199 R N -0.424 120.038 120.500 -0.063 0.000 2.075 199 R HA -0.046 4.294 4.340 0.001 0.000 0.232 199 R C 2.002 178.227 176.300 -0.125 0.000 1.126 199 R CA 1.610 57.670 56.100 -0.066 0.000 0.963 199 R CB -0.391 29.882 30.300 -0.045 0.000 0.858 199 R HN 0.561 nan 8.270 nan 0.000 0.435 200 I N 0.794 121.240 120.570 -0.207 0.000 2.226 200 I HA -0.249 3.921 4.170 0.001 0.000 0.245 200 I C 2.543 178.461 176.117 -0.331 0.000 1.100 200 I CA 1.277 62.315 61.300 -0.437 0.000 1.374 200 I CB -0.397 37.278 38.000 -0.541 0.000 1.057 200 I HN 0.314 nan 8.210 nan 0.000 0.413 201 A N 0.454 123.163 122.820 -0.184 0.000 1.902 201 A HA -0.198 4.123 4.320 0.001 0.000 0.217 201 A C 2.230 179.776 177.584 -0.063 0.000 1.181 201 A CA 1.503 53.477 52.037 -0.105 0.000 0.623 201 A CB -0.413 18.548 19.000 -0.066 0.000 0.818 201 A HN 0.375 nan 8.150 nan 0.000 0.443 202 E N 0.087 120.253 120.200 -0.057 0.000 2.077 202 E HA -0.191 4.159 4.350 0.001 0.000 0.193 202 E C 1.880 178.481 176.600 0.001 0.000 0.989 202 E CA 1.368 57.757 56.400 -0.019 0.000 0.800 202 E CB -0.413 29.277 29.700 -0.016 0.000 0.746 202 E HN 0.775 nan 8.360 nan 0.000 0.452 203 E N 0.557 120.745 120.200 -0.021 0.000 2.150 203 E HA -0.111 4.240 4.350 0.001 0.000 0.193 203 E C 2.248 178.912 176.600 0.108 0.000 0.985 203 E CA 0.723 57.151 56.400 0.047 0.000 0.814 203 E CB 0.088 29.820 29.700 0.053 0.000 0.752 203 E HN 0.006 nan 8.360 nan 0.000 0.466 204 V N 1.445 121.385 119.914 0.044 0.000 2.295 204 V HA -0.263 3.857 4.120 0.001 0.000 0.246 204 V C 2.295 178.472 176.094 0.138 0.000 1.049 204 V CA 1.502 63.875 62.300 0.123 0.000 1.024 204 V CB -0.385 31.471 31.823 0.055 0.000 0.648 204 V HN 0.285 nan 8.190 nan 0.000 0.447 205 L N -0.310 120.962 121.223 0.081 0.000 2.131 205 L HA -0.206 4.134 4.340 0.001 0.000 0.210 205 L C 2.554 179.473 176.870 0.080 0.000 1.092 205 L CA 1.634 56.518 54.840 0.073 0.000 0.759 205 L CB -0.538 41.547 42.059 0.044 0.000 0.903 205 L HN 0.297 nan 8.230 nan 0.000 0.435 206 K N -0.189 120.266 120.400 0.092 0.000 2.031 206 K HA -0.225 4.096 4.320 0.001 0.000 0.205 206 K C 2.186 178.854 176.600 0.113 0.000 1.049 206 K CA 1.445 57.785 56.287 0.089 0.000 0.939 206 K CB -0.291 32.262 32.500 0.089 0.000 0.717 206 K HN 0.191 nan 8.250 nan 0.000 0.438 207 H N -0.365 118.744 119.070 0.065 0.000 2.422 207 H HA 0.029 4.585 4.556 0.001 0.000 0.298 207 H C 0.551 175.914 175.328 0.058 0.000 1.098 207 H CA 1.822 57.910 56.048 0.067 0.000 1.315 207 H CB 0.139 29.959 29.762 0.097 0.000 1.382 207 H HN 0.167 nan 8.280 nan 0.000 0.523 208 L N 1.891 123.158 121.223 0.074 0.000 3.017 208 L HA 0.156 4.496 4.340 0.001 0.000 0.255 208 L C 0.155 177.039 176.870 0.023 0.000 1.247 208 L CA -0.435 54.420 54.840 0.025 0.000 1.038 208 L CB -0.005 42.110 42.059 0.095 0.000 1.380 208 L HN 0.329 nan 8.230 nan 0.000 0.548 209 Q N 0.315 120.124 119.800 0.015 0.000 2.333 209 Q HA 0.154 4.495 4.340 0.001 0.000 0.299 209 Q C 1.071 177.078 176.000 0.011 0.000 1.067 209 Q CA 0.722 56.536 55.803 0.018 0.000 0.943 209 Q CB 0.397 29.145 28.738 0.016 0.000 1.233 209 Q HN 0.338 nan 8.270 nan 0.000 0.401 210 G N 2.025 110.836 108.800 0.018 0.000 2.189 210 G HA2 -0.276 3.685 3.960 0.001 0.000 0.267 210 G HA3 -0.276 3.685 3.960 0.001 0.000 0.267 210 G C -0.085 174.827 174.900 0.021 0.000 0.975 210 G CA 0.446 45.556 45.100 0.017 0.000 0.644 210 G HN 0.534 nan 8.290 nan 0.000 0.537 211 L N 1.669 122.908 121.223 0.026 0.000 2.331 211 L HA 0.537 4.878 4.340 0.001 0.000 0.275 211 L C -1.756 175.141 176.870 0.045 0.000 1.022 211 L CA -2.508 52.351 54.840 0.032 0.000 0.812 211 L CB 1.876 43.954 42.059 0.032 0.000 1.257 211 L HN -0.102 nan 8.230 nan 0.000 0.435 212 P HA 0.225 nan 4.420 nan 0.000 0.275 212 P C -1.242 176.098 177.300 0.067 0.000 1.228 212 P CA -0.175 62.957 63.100 0.052 0.000 0.786 212 P CB 1.049 32.775 31.700 0.043 0.000 0.927 213 L N 2.413 123.680 121.223 0.074 0.000 2.346 213 L HA 0.416 4.757 4.340 0.001 0.000 0.276 213 L C 0.597 177.522 176.870 0.092 0.000 1.006 213 L CA -0.784 54.113 54.840 0.094 0.000 0.817 213 L CB 1.583 43.695 42.059 0.088 0.000 1.272 213 L HN 0.514 nan 8.230 nan 0.000 0.421 214 H N 3.293 122.387 119.070 0.040 0.000 2.504 214 H HA 0.468 5.025 4.556 0.001 0.000 0.322 214 H C -1.561 173.801 175.328 0.056 0.000 1.055 214 H CA -0.484 55.575 56.048 0.018 0.000 1.231 214 H CB 1.897 31.676 29.762 0.028 0.000 1.417 214 H HN 0.283 nan 8.280 nan 0.000 0.472 215 V N 4.626 124.311 119.914 -0.380 0.000 2.370 215 V HA 0.146 4.267 4.120 0.001 0.000 0.283 215 V C 0.334 176.251 176.094 -0.295 0.000 1.023 215 V CA -0.541 61.650 62.300 -0.182 0.000 0.857 215 V CB 1.397 33.160 31.823 -0.099 0.000 0.985 215 V HN 0.762 nan 8.190 nan 0.000 0.443 216 S N 5.277 120.914 115.700 -0.105 0.000 2.520 216 S HA 0.583 5.053 4.470 0.001 0.000 0.324 216 S C -0.853 173.571 174.600 -0.293 0.000 1.069 216 S CA -0.482 57.602 58.200 -0.195 0.000 1.121 216 S CB 0.559 63.576 63.200 -0.305 0.000 0.971 216 S HN 0.570 nan 8.310 nan 0.000 0.463 217 L N 5.633 126.693 121.223 -0.271 0.000 2.262 217 L HA 0.554 4.894 4.340 0.001 0.000 0.288 217 L C -0.491 176.189 176.870 -0.317 0.000 1.035 217 L CA -0.168 54.525 54.840 -0.245 0.000 0.820 217 L CB 1.174 43.127 42.059 -0.176 0.000 1.204 217 L HN 0.518 nan 8.230 nan 0.000 0.424 218 D N 3.809 124.029 120.400 -0.300 0.000 2.249 218 D HA 0.273 4.914 4.640 0.001 0.000 0.246 218 D C 0.906 177.122 176.300 -0.140 0.000 1.114 218 D CA 0.299 54.127 54.000 -0.286 0.000 0.854 218 D CB 2.238 42.947 40.800 -0.153 0.000 1.132 218 D HN 0.733 nan 8.370 nan 0.000 0.461 219 A N 4.042 126.785 122.820 -0.129 0.000 2.032 219 A HA -0.237 4.084 4.320 0.001 0.000 0.221 219 A C 1.499 179.063 177.584 -0.033 0.000 1.165 219 A CA 1.837 53.829 52.037 -0.075 0.000 0.645 219 A CB -0.337 18.623 19.000 -0.066 0.000 0.807 219 A HN 0.709 nan 8.150 nan 0.000 0.453 220 D N -0.484 119.913 120.400 -0.005 0.000 2.378 220 D HA -0.048 4.593 4.640 0.001 0.000 0.227 220 D C 1.296 177.608 176.300 0.019 0.000 1.012 220 D CA 0.877 54.897 54.000 0.034 0.000 0.905 220 D CB -0.624 40.241 40.800 0.108 0.000 0.895 220 D HN 0.193 nan 8.370 nan 0.000 0.532 221 V N -0.094 119.822 119.914 0.003 0.000 2.667 221 V HA 0.044 4.164 4.120 0.001 0.000 0.252 221 V C 1.072 177.162 176.094 -0.007 0.000 1.065 221 V CA 0.456 62.755 62.300 -0.002 0.000 1.083 221 V CB -0.274 31.546 31.823 -0.005 0.000 0.692 221 V HN 0.183 nan 8.190 nan 0.000 0.468 222 L N 1.001 122.218 121.223 -0.009 0.000 2.436 222 L HA 0.242 4.582 4.340 0.001 0.000 0.265 222 L C 0.309 177.187 176.870 0.012 0.000 1.168 222 L CA -0.119 54.722 54.840 0.001 0.000 0.815 222 L CB 0.223 42.285 42.059 0.004 0.000 1.109 222 L HN 0.176 nan 8.230 nan 0.000 0.462 223 D N 2.217 122.629 120.400 0.021 0.000 2.472 223 D HA 0.010 4.650 4.640 0.001 0.000 0.237 223 D C -1.672 174.641 176.300 0.022 0.000 1.141 223 D CA -0.812 53.201 54.000 0.021 0.000 0.875 223 D CB 1.116 41.932 40.800 0.026 0.000 1.192 223 D HN 0.218 nan 8.370 nan 0.000 0.450 224 P HA -0.139 nan 4.420 nan 0.000 0.218 224 P C 1.201 178.512 177.300 0.018 0.000 1.148 224 P CA 1.017 64.129 63.100 0.020 0.000 0.822 224 P CB 0.107 31.820 31.700 0.022 0.000 0.784 225 T N -1.699 112.866 114.554 0.018 0.000 2.929 225 T HA -0.105 4.245 4.350 0.001 0.000 0.271 225 T C 1.445 176.154 174.700 0.016 0.000 1.085 225 T CA 0.856 62.965 62.100 0.014 0.000 1.125 225 T CB -0.467 68.409 68.868 0.013 0.000 0.874 225 T HN -0.098 nan 8.240 nan 0.000 0.494 226 L N -0.087 121.151 121.223 0.025 0.000 2.425 226 L HA 0.590 4.930 4.340 0.001 0.000 0.215 226 L C 0.916 177.808 176.870 0.036 0.000 1.065 226 L CA 0.591 55.453 54.840 0.036 0.000 0.842 226 L CB 0.135 42.232 42.059 0.063 0.000 1.033 226 L HN 0.168 nan 8.230 nan 0.000 0.474 227 A N -0.117 122.720 122.820 0.028 0.000 2.893 227 A HA 0.536 4.857 4.320 0.001 0.000 0.333 227 A C -2.059 175.534 177.584 0.014 0.000 1.152 227 A CA -0.751 51.298 52.037 0.020 0.000 0.782 227 A CB 0.076 19.085 19.000 0.015 0.000 1.108 227 A HN 0.113 nan 8.150 nan 0.000 0.469 228 P HA -0.052 nan 4.420 nan 0.000 0.222 228 P C 1.100 178.404 177.300 0.007 0.000 1.153 228 P CA 1.105 64.211 63.100 0.010 0.000 0.798 228 P CB 0.114 31.819 31.700 0.008 0.000 0.796 229 G N 1.473 110.275 108.800 0.003 0.000 3.090 229 G HA2 0.338 4.299 3.960 0.001 0.000 0.259 229 G HA3 0.338 4.299 3.960 0.001 0.000 0.259 229 G C 0.162 175.057 174.900 -0.008 0.000 0.797 229 G CA -0.052 45.046 45.100 -0.003 0.000 2.032 229 G HN 0.305 nan 8.290 nan 0.000 0.614 230 V N -2.031 117.882 119.914 -0.002 0.000 2.971 230 V HA 0.835 4.956 4.120 0.001 0.000 0.309 230 V C 1.037 177.131 176.094 0.001 0.000 1.130 230 V CA -0.161 62.136 62.300 -0.004 0.000 0.964 230 V CB 1.419 33.250 31.823 0.012 0.000 1.029 230 V HN 0.249 nan 8.190 nan 0.000 0.427 231 G N 1.946 110.736 108.800 -0.016 0.000 2.418 231 G HA2 0.033 3.994 3.960 0.001 0.000 0.217 231 G HA3 0.033 3.994 3.960 0.001 0.000 0.217 231 G C 0.649 175.557 174.900 0.013 0.000 1.158 231 G CA 1.288 46.377 45.100 -0.018 0.000 0.771 231 G HN 0.938 nan 8.290 nan 0.000 0.545 232 T N 2.957 117.537 114.554 0.043 0.000 3.331 232 T HA 0.403 4.754 4.350 0.001 0.000 0.381 232 T C -2.687 172.115 174.700 0.169 0.000 1.656 232 T CA -0.976 61.186 62.100 0.103 0.000 1.453 232 T CB 1.981 70.893 68.868 0.074 0.000 1.066 232 T HN 0.111 nan 8.240 nan 0.000 0.655 233 P HA 0.329 nan 4.420 nan 0.000 0.271 233 P C -0.817 176.531 177.300 0.080 0.000 1.216 233 P CA -0.272 62.876 63.100 0.080 0.000 0.776 233 P CB 1.174 32.903 31.700 0.049 0.000 0.881 234 V N 4.816 124.760 119.914 0.049 0.000 2.569 234 V HA 0.297 4.417 4.120 0.001 0.000 0.301 234 V C -2.039 174.063 176.094 0.012 0.000 1.044 234 V CA -2.006 60.309 62.300 0.025 0.000 0.874 234 V CB 1.851 33.658 31.823 -0.026 0.000 1.002 234 V HN 0.563 nan 8.190 nan 0.000 0.424 235 P HA 0.192 nan 4.420 nan 0.000 0.270 235 P C 0.662 177.969 177.300 0.011 0.000 1.223 235 P CA 0.984 64.093 63.100 0.016 0.000 0.785 235 P CB 0.862 32.573 31.700 0.018 0.000 0.923 236 G N 0.315 109.123 108.800 0.013 0.000 2.248 236 G HA2 -0.050 3.910 3.960 0.001 0.000 0.263 236 G HA3 -0.050 3.910 3.960 0.001 0.000 0.263 236 G C 0.397 175.303 174.900 0.010 0.000 1.082 236 G CA -0.229 44.879 45.100 0.013 0.000 0.863 236 G HN 0.877 nan 8.290 nan 0.000 0.495 237 G N -1.274 107.532 108.800 0.010 0.000 2.583 237 G HA2 0.718 4.679 3.960 0.001 0.000 0.280 237 G HA3 0.718 4.679 3.960 0.001 0.000 0.280 237 G C 0.514 175.421 174.900 0.012 0.000 1.376 237 G CA -1.156 43.949 45.100 0.007 0.000 1.043 237 G HN 0.648 nan 8.290 nan 0.000 0.538 238 L N 0.543 121.772 121.223 0.009 0.000 2.452 238 L HA 0.275 4.615 4.340 0.001 0.000 0.267 238 L C 1.433 178.319 176.870 0.027 0.000 1.188 238 L CA -0.506 54.340 54.840 0.009 0.000 0.821 238 L CB 0.856 42.910 42.059 -0.008 0.000 1.102 238 L HN 0.704 nan 8.230 nan 0.000 0.470 239 T N -1.902 112.676 114.554 0.039 0.000 2.847 239 T HA 0.078 4.428 4.350 0.001 0.000 0.279 239 T C 0.860 175.632 174.700 0.120 0.000 0.984 239 T CA -0.352 61.797 62.100 0.081 0.000 0.988 239 T CB 0.719 69.636 68.868 0.082 0.000 1.040 239 T HN 0.527 nan 8.240 nan 0.000 0.528 240 Y N 1.508 121.832 120.300 0.040 0.000 2.128 240 Y HA -0.154 4.396 4.550 0.001 0.000 0.284 240 Y C 2.778 178.770 175.900 0.153 0.000 1.154 240 Y CA 1.672 59.826 58.100 0.090 0.000 1.149 240 Y CB -0.211 38.307 38.460 0.096 0.000 0.976 240 Y HN 0.622 nan 8.280 nan 0.000 0.505 241 R N 0.167 120.815 120.500 0.246 0.000 2.081 241 R HA -0.153 4.188 4.340 0.001 0.000 0.235 241 R C 2.249 178.575 176.300 0.043 0.000 1.131 241 R CA 1.823 58.001 56.100 0.130 0.000 0.960 241 R CB -0.338 30.047 30.300 0.141 0.000 0.856 241 R HN 0.493 nan 8.270 nan 0.000 0.436 242 E N 0.438 120.657 120.200 0.032 0.000 2.058 242 E HA -0.214 4.137 4.350 0.001 0.000 0.194 242 E C 2.073 178.647 176.600 -0.045 0.000 0.997 242 E CA 1.284 57.682 56.400 -0.004 0.000 0.801 242 E CB -0.145 29.553 29.700 -0.003 0.000 0.746 242 E HN 0.382 nan 8.360 nan 0.000 0.450 243 A N 1.279 124.048 122.820 -0.085 0.000 1.902 243 A HA -0.214 4.107 4.320 0.001 0.000 0.217 243 A C 1.909 179.350 177.584 -0.240 0.000 1.181 243 A CA 1.404 53.338 52.037 -0.172 0.000 0.623 243 A CB -0.665 18.196 19.000 -0.231 0.000 0.818 243 A HN 0.282 nan 8.150 nan 0.000 0.443 244 H N -1.277 117.664 119.070 -0.214 0.000 2.389 244 H HA -0.083 4.473 4.556 0.001 0.000 0.299 244 H C 2.117 177.374 175.328 -0.118 0.000 1.081 244 H CA 1.737 57.660 56.048 -0.208 0.000 1.345 244 H CB -0.293 29.287 29.762 -0.304 0.000 1.393 244 H HN 0.427 nan 8.280 nan 0.000 0.520 245 L N 0.968 122.202 121.223 0.019 0.000 2.012 245 L HA -0.155 4.186 4.340 0.001 0.000 0.210 245 L C 2.433 179.292 176.870 -0.020 0.000 1.073 245 L CA 1.183 56.025 54.840 0.003 0.000 0.748 245 L CB -0.846 41.212 42.059 -0.002 0.000 0.891 245 L HN 0.118 nan 8.230 nan 0.000 0.431 246 L N -0.949 120.249 121.223 -0.042 0.000 2.012 246 L HA -0.237 4.103 4.340 0.001 0.000 0.210 246 L C 2.348 179.192 176.870 -0.043 0.000 1.073 246 L CA 2.008 56.819 54.840 -0.049 0.000 0.748 246 L CB -0.581 41.441 42.059 -0.061 0.000 0.891 246 L HN 0.284 nan 8.230 nan 0.000 0.431 247 M N -0.721 118.843 119.600 -0.060 0.000 2.117 247 M HA -0.183 4.297 4.480 0.001 0.000 0.262 247 M C 2.179 178.468 176.300 -0.019 0.000 1.065 247 M CA 1.623 56.892 55.300 -0.052 0.000 1.114 247 M CB -1.224 31.322 32.600 -0.090 0.000 1.361 247 M HN 0.381 nan 8.290 nan 0.000 0.408 248 E N 0.219 120.416 120.200 -0.004 0.000 2.106 248 E HA -0.115 4.235 4.350 0.001 0.000 0.192 248 E C 2.078 178.680 176.600 0.004 0.000 0.984 248 E CA 1.007 57.412 56.400 0.008 0.000 0.806 248 E CB -0.134 29.576 29.700 0.018 0.000 0.750 248 E HN 0.472 nan 8.360 nan 0.000 0.458 249 I N 0.918 121.486 120.570 -0.003 0.000 2.353 249 I HA -0.229 3.941 4.170 0.001 0.000 0.248 249 I C 2.237 178.356 176.117 0.004 0.000 1.119 249 I CA 0.818 62.116 61.300 -0.003 0.000 1.417 249 I CB -0.132 37.861 38.000 -0.011 0.000 1.078 249 I HN 0.111 nan 8.210 nan 0.000 0.421 250 L N 0.534 121.759 121.223 0.004 0.000 2.093 250 L HA -0.158 4.182 4.340 0.001 0.000 0.208 250 L C 2.883 179.768 176.870 0.025 0.000 1.085 250 L CA 1.181 56.031 54.840 0.017 0.000 0.755 250 L CB -0.712 41.356 42.059 0.016 0.000 0.904 250 L HN 0.221 nan 8.230 nan 0.000 0.435 251 A N 0.125 122.955 122.820 0.017 0.000 1.902 251 A HA -0.229 4.091 4.320 0.001 0.000 0.217 251 A C 2.139 179.737 177.584 0.023 0.000 1.181 251 A CA 1.655 53.705 52.037 0.020 0.000 0.623 251 A CB -0.465 18.541 19.000 0.010 0.000 0.818 251 A HN 0.447 nan 8.150 nan 0.000 0.443 252 E N 0.313 120.523 120.200 0.016 0.000 2.160 252 E HA -0.190 4.160 4.350 0.001 0.000 0.195 252 E C 2.275 178.886 176.600 0.017 0.000 0.991 252 E CA 1.427 57.834 56.400 0.012 0.000 0.810 252 E CB -0.244 29.460 29.700 0.005 0.000 0.742 252 E HN 0.826 nan 8.360 nan 0.000 0.466 253 S N -0.281 115.433 115.700 0.024 0.000 2.419 253 S HA -0.090 4.380 4.470 0.001 0.000 0.233 253 S C 1.872 176.494 174.600 0.036 0.000 1.016 253 S CA 0.965 59.183 58.200 0.029 0.000 0.974 253 S CB -0.359 62.863 63.200 0.036 0.000 0.786 253 S HN 0.428 nan 8.310 nan 0.000 0.492 254 G N 1.380 110.206 108.800 0.044 0.000 2.168 254 G HA2 -0.304 3.656 3.960 0.001 0.000 0.263 254 G HA3 -0.304 3.656 3.960 0.001 0.000 0.263 254 G C 0.840 175.782 174.900 0.070 0.000 0.977 254 G CA 0.507 45.639 45.100 0.054 0.000 0.659 254 G HN 0.581 nan 8.290 nan 0.000 0.533 255 R N -0.713 119.829 120.500 0.071 0.000 2.362 255 R HA 0.281 4.621 4.340 0.001 0.000 0.227 255 R C 0.815 177.173 176.300 0.096 0.000 0.905 255 R CA 0.100 56.245 56.100 0.075 0.000 1.067 255 R CB 0.756 31.092 30.300 0.060 0.000 1.078 255 R HN 0.321 nan 8.270 nan 0.000 0.516 256 V N 2.752 122.741 119.914 0.125 0.000 2.521 256 V HA -0.057 4.064 4.120 0.001 0.000 0.286 256 V C 1.147 177.393 176.094 0.254 0.000 1.034 256 V CA 0.479 62.880 62.300 0.168 0.000 1.045 256 V CB 1.279 33.219 31.823 0.195 0.000 0.974 256 V HN 0.393 nan 8.190 nan 0.000 0.480 257 Q N 3.392 123.228 119.800 0.059 0.000 2.245 257 Q HA 0.309 4.649 4.340 0.001 0.000 0.236 257 Q C 0.310 175.781 176.000 -0.881 0.000 0.842 257 Q CA 0.165 55.875 55.803 -0.155 0.000 0.945 257 Q CB 0.974 29.669 28.738 -0.072 0.000 1.122 257 Q HN 0.720 nan 8.270 nan 0.000 0.506 258 S N -0.135 115.066 115.700 -0.833 0.000 2.565 258 S HA 0.713 5.184 4.470 0.001 0.000 0.269 258 S C -1.597 172.627 174.600 -0.627 0.000 1.153 258 S CA -0.958 56.660 58.200 -0.969 0.000 0.835 258 S CB 1.951 64.958 63.200 -0.321 0.000 1.122 258 S HN 0.301 nan 8.310 nan 0.000 0.462 259 L N 0.789 121.766 121.223 -0.409 0.000 2.482 259 L HA 0.767 5.107 4.340 0.001 0.000 0.263 259 L C -2.198 174.573 176.870 -0.165 0.000 0.957 259 L CA -0.196 54.491 54.840 -0.254 0.000 0.836 259 L CB 2.122 44.222 42.059 0.068 0.000 1.324 259 L HN 0.817 nan 8.230 nan 0.000 0.406 260 D N 5.189 125.479 120.400 -0.183 0.000 2.256 260 D HA 0.531 5.171 4.640 0.001 0.000 0.246 260 D C -0.840 175.369 176.300 -0.152 0.000 1.042 260 D CA 0.115 54.054 54.000 -0.101 0.000 0.841 260 D CB 2.566 43.336 40.800 -0.051 0.000 1.223 260 D HN 0.497 nan 8.370 nan 0.000 0.470 261 L N 2.129 123.271 121.223 -0.135 0.000 2.366 261 L HA 0.379 4.720 4.340 0.001 0.000 0.266 261 L C 0.006 176.773 176.870 -0.171 0.000 1.010 261 L CA -0.856 53.895 54.840 -0.148 0.000 0.879 261 L CB 1.246 43.245 42.059 -0.100 0.000 1.228 261 L HN 0.171 nan 8.230 nan 0.000 0.439 262 V N -1.074 118.684 119.914 -0.260 0.000 3.158 262 V HA 0.626 4.746 4.120 0.001 0.000 0.315 262 V C 0.433 176.383 176.094 -0.240 0.000 1.148 262 V CA -0.611 61.521 62.300 -0.279 0.000 1.042 262 V CB 1.882 33.425 31.823 -0.467 0.000 1.101 262 V HN 0.730 nan 8.190 nan 0.000 0.448 263 E N -1.201 118.884 120.200 -0.192 0.000 3.170 263 E HA -0.163 4.188 4.350 0.001 0.000 0.284 263 E C 0.023 176.567 176.600 -0.095 0.000 0.967 263 E CA 0.935 57.252 56.400 -0.139 0.000 0.919 263 E CB -1.691 27.925 29.700 -0.139 0.000 1.469 263 E HN 0.720 nan 8.360 nan 0.000 0.444 264 V N 1.951 121.814 119.914 -0.084 0.000 2.521 264 V HA 0.127 4.247 4.120 0.001 0.000 0.286 264 V C 0.822 176.890 176.094 -0.042 0.000 1.034 264 V CA 0.007 62.275 62.300 -0.054 0.000 1.045 264 V CB 1.154 32.950 31.823 -0.044 0.000 0.974 264 V HN 0.138 nan 8.190 nan 0.000 0.480 265 N N 7.646 126.327 118.700 -0.031 0.000 2.696 265 N HA 0.331 5.072 4.740 0.001 0.000 0.246 265 N C -1.510 173.991 175.510 -0.015 0.000 1.057 265 N CA -2.027 51.008 53.050 -0.025 0.000 0.867 265 N CB 2.219 40.689 38.487 -0.028 0.000 1.141 265 N HN 0.262 nan 8.380 nan 0.000 0.517 266 P HA -0.114 nan 4.420 nan 0.000 0.221 266 P C 1.428 178.722 177.300 -0.010 0.000 1.145 266 P CA 0.518 63.614 63.100 -0.007 0.000 0.795 266 P CB 0.679 32.379 31.700 -0.000 0.000 0.775 267 I N -0.783 119.781 120.570 -0.010 0.000 2.614 267 I HA -0.124 4.046 4.170 0.001 0.000 0.258 267 I C 2.215 178.327 176.117 -0.008 0.000 1.189 267 I CA 1.317 62.612 61.300 -0.010 0.000 1.462 267 I CB -0.749 37.246 38.000 -0.009 0.000 1.092 267 I HN -0.103 nan 8.210 nan 0.000 0.442 268 L N -1.253 119.965 121.223 -0.007 0.000 2.766 268 L HA 0.193 4.534 4.340 0.001 0.000 0.242 268 L C 0.533 177.401 176.870 -0.003 0.000 1.136 268 L CA -0.221 54.617 54.840 -0.004 0.000 0.933 268 L CB -0.012 42.046 42.059 -0.002 0.000 1.241 268 L HN 0.034 nan 8.230 nan 0.000 0.522 269 D N 1.181 121.578 120.400 -0.006 0.000 2.411 269 D HA 0.177 4.817 4.640 0.001 0.000 0.251 269 D C -0.294 176.002 176.300 -0.006 0.000 1.201 269 D CA -0.039 53.959 54.000 -0.004 0.000 0.996 269 D CB 0.915 41.712 40.800 -0.005 0.000 1.101 269 D HN 0.053 nan 8.370 nan 0.000 0.504 270 E N 1.289 121.486 120.200 -0.005 0.000 2.235 270 E HA 0.307 4.658 4.350 0.001 0.000 0.252 270 E C -0.332 176.262 176.600 -0.009 0.000 0.886 270 E CA -0.701 55.695 56.400 -0.008 0.000 0.767 270 E CB 1.467 31.163 29.700 -0.006 0.000 1.205 270 E HN 0.294 nan 8.360 nan 0.000 0.421 271 R N 2.202 122.693 120.500 -0.015 0.000 3.641 271 R HA -0.249 4.091 4.340 0.001 0.000 0.286 271 R C 0.000 176.294 176.300 -0.011 0.000 1.153 271 R CA 0.704 56.794 56.100 -0.017 0.000 0.775 271 R CB -2.412 27.880 30.300 -0.015 0.000 1.215 271 R HN 0.933 nan 8.270 nan 0.000 0.474 272 N N -0.051 118.643 118.700 -0.009 0.000 2.708 272 N HA -0.251 4.489 4.740 0.001 0.000 0.251 272 N C 1.269 176.787 175.510 0.013 0.000 1.123 272 N CA 1.832 54.883 53.050 0.003 0.000 0.739 272 N CB -0.376 38.114 38.487 0.006 0.000 1.113 272 N HN 0.778 nan 8.380 nan 0.000 0.561 273 R N -2.399 118.107 120.500 0.010 0.000 2.189 273 R HA -0.019 4.321 4.340 0.001 0.000 0.223 273 R C 1.367 177.684 176.300 0.029 0.000 1.092 273 R CA 1.709 57.821 56.100 0.020 0.000 0.989 273 R CB -0.607 29.701 30.300 0.013 0.000 0.876 273 R HN 0.187 nan 8.270 nan 0.000 0.457 274 T N 1.155 115.720 114.554 0.019 0.000 2.812 274 T HA 0.035 4.385 4.350 0.001 0.000 0.264 274 T C 2.082 176.788 174.700 0.010 0.000 1.042 274 T CA 1.305 63.414 62.100 0.015 0.000 1.140 274 T CB -0.141 68.728 68.868 0.003 0.000 0.870 274 T HN 0.484 nan 8.240 nan 0.000 0.445 275 A N 1.782 124.609 122.820 0.011 0.000 1.898 275 A HA -0.114 4.207 4.320 0.001 0.000 0.216 275 A C 2.168 179.765 177.584 0.022 0.000 1.181 275 A CA 1.458 53.502 52.037 0.011 0.000 0.620 275 A CB -0.492 18.523 19.000 0.024 0.000 0.819 275 A HN 0.567 nan 8.150 nan 0.000 0.442 276 E N -0.708 119.514 120.200 0.037 0.000 2.110 276 E HA -0.163 4.187 4.350 0.001 0.000 0.193 276 E C 2.034 178.678 176.600 0.072 0.000 0.988 276 E CA 1.112 57.543 56.400 0.053 0.000 0.804 276 E CB -0.247 29.486 29.700 0.055 0.000 0.745 276 E HN 0.478 nan 8.360 nan 0.000 0.458 277 M N 0.242 119.887 119.600 0.074 0.000 2.067 277 M HA -0.157 4.323 4.480 0.001 0.000 0.260 277 M C 2.336 178.644 176.300 0.013 0.000 1.069 277 M CA 1.259 56.616 55.300 0.096 0.000 1.117 277 M CB -0.681 31.967 32.600 0.080 0.000 1.334 277 M HN 0.162 nan 8.290 nan 0.000 0.407 278 L N -0.515 120.696 121.223 -0.019 0.000 2.131 278 L HA -0.119 4.221 4.340 0.001 0.000 0.210 278 L C 2.465 179.305 176.870 -0.051 0.000 1.092 278 L CA 1.026 55.829 54.840 -0.061 0.000 0.759 278 L CB -0.948 41.072 42.059 -0.066 0.000 0.903 278 L HN 0.042 nan 8.230 nan 0.000 0.435 279 V N -0.489 119.416 119.914 -0.015 0.000 2.343 279 V HA -0.216 3.905 4.120 0.001 0.000 0.247 279 V C 2.535 178.633 176.094 0.007 0.000 1.051 279 V CA 1.879 64.174 62.300 -0.009 0.000 1.036 279 V CB -1.343 30.487 31.823 0.011 0.000 0.654 279 V HN 0.569 nan 8.190 nan 0.000 0.451 280 G N -0.355 108.475 108.800 0.050 0.000 2.422 280 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 280 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 280 G C 1.586 176.538 174.900 0.087 0.000 1.146 280 G CA 0.887 46.063 45.100 0.127 0.000 0.769 280 G HN 0.470 nan 8.290 nan 0.000 0.547 281 L N 0.552 121.708 121.223 -0.111 0.000 2.093 281 L HA -0.016 4.325 4.340 0.001 0.000 0.208 281 L C 3.389 180.183 176.870 -0.128 0.000 1.085 281 L CA 0.866 55.549 54.840 -0.263 0.000 0.755 281 L CB -0.360 41.503 42.059 -0.327 0.000 0.904 281 L HN 0.305 nan 8.230 nan 0.000 0.435 282 A N 0.310 123.074 122.820 -0.093 0.000 1.902 282 A HA -0.160 4.160 4.320 0.001 0.000 0.217 282 A C 2.245 179.774 177.584 -0.091 0.000 1.181 282 A CA 1.355 53.336 52.037 -0.093 0.000 0.623 282 A CB -0.654 18.294 19.000 -0.086 0.000 0.818 282 A HN 0.354 nan 8.150 nan 0.000 0.443 283 L N -0.502 120.695 121.223 -0.043 0.000 2.046 283 L HA -0.179 4.161 4.340 0.001 0.000 0.208 283 L C 2.839 179.710 176.870 0.002 0.000 1.077 283 L CA 1.577 56.408 54.840 -0.015 0.000 0.747 283 L CB -0.612 41.463 42.059 0.026 0.000 0.896 283 L HN 0.319 nan 8.230 nan 0.000 0.432 284 S N 0.105 115.822 115.700 0.028 0.000 2.382 284 S HA -0.160 4.311 4.470 0.001 0.000 0.228 284 S C 1.860 176.457 174.600 -0.005 0.000 1.027 284 S CA 1.129 59.355 58.200 0.043 0.000 0.991 284 S CB -0.321 62.953 63.200 0.122 0.000 0.823 284 S HN 0.242 nan 8.310 nan 0.000 0.469 285 L N 0.933 122.130 121.223 -0.044 0.000 2.131 285 L HA 0.085 4.425 4.340 0.001 0.000 0.210 285 L C 1.188 178.008 176.870 -0.084 0.000 1.092 285 L CA 1.498 56.305 54.840 -0.055 0.000 0.759 285 L CB -0.367 41.655 42.059 -0.063 0.000 0.903 285 L HN 0.189 nan 8.230 nan 0.000 0.435 286 L N -0.083 121.063 121.223 -0.129 0.000 2.653 286 L HA 0.381 4.722 4.340 0.001 0.000 0.232 286 L C 1.455 178.354 176.870 0.048 0.000 1.169 286 L CA 0.792 55.538 54.840 -0.157 0.000 0.951 286 L CB -0.316 41.515 42.059 -0.381 0.000 1.181 286 L HN 0.402 nan 8.230 nan 0.000 0.460 287 G N -1.283 107.533 108.800 0.027 0.000 2.201 287 G HA2 -0.276 3.684 3.960 0.001 0.000 0.212 287 G HA3 -0.276 3.684 3.960 0.001 0.000 0.212 287 G C 0.610 175.529 174.900 0.033 0.000 0.994 287 G CA -0.103 45.020 45.100 0.038 0.000 0.644 287 G HN 0.296 nan 8.290 nan 0.000 0.508 288 K N 1.041 121.465 120.400 0.040 0.000 2.447 288 K HA 0.495 4.815 4.320 0.001 0.000 0.281 288 K C 0.397 177.014 176.600 0.029 0.000 1.031 288 K CA 0.175 56.482 56.287 0.034 0.000 1.019 288 K CB 0.181 32.702 32.500 0.036 0.000 0.918 288 K HN 0.397 nan 8.250 nan 0.000 0.476 289 R N 3.530 124.049 120.500 0.031 0.000 2.771 289 R HA 0.299 4.639 4.340 0.001 0.000 0.274 289 R C 0.920 177.250 176.300 0.050 0.000 0.987 289 R CA -0.694 55.429 56.100 0.040 0.000 0.908 289 R CB 1.052 31.381 30.300 0.048 0.000 1.213 289 R HN 0.566 nan 8.270 nan 0.000 0.468 290 I N 0.518 121.120 120.570 0.054 0.000 2.163 290 I HA -0.110 4.060 4.170 0.001 0.000 0.240 290 I C 0.962 177.139 176.117 0.099 0.000 1.081 290 I CA 1.543 62.869 61.300 0.043 0.000 1.353 290 I CB 0.117 38.134 38.000 0.029 0.000 1.054 290 I HN 0.349 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