REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2eiv_1_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 0.000 176.725 176.600 0.209 0.000 1.382 2 E CA 0.000 56.472 56.400 0.121 0.000 0.976 2 E CB 0.000 29.703 29.700 0.005 0.000 0.812 3 R N 1.110 121.745 120.500 0.225 0.000 2.502 3 R HA 0.660 5.000 4.340 -0.000 0.000 0.300 3 R C -1.431 174.961 176.300 0.152 0.000 0.984 3 R CA -0.839 55.359 56.100 0.163 0.000 0.882 3 R CB 2.573 32.938 30.300 0.109 0.000 1.180 3 R HN -0.066 nan 8.270 nan 0.000 0.444 4 V N 2.228 122.201 119.914 0.099 0.000 2.531 4 V HA 0.583 4.702 4.120 -0.000 0.000 0.301 4 V C -0.464 175.658 176.094 0.047 0.000 1.034 4 V CA -0.836 61.499 62.300 0.059 0.000 0.865 4 V CB 1.837 33.595 31.823 -0.108 0.000 0.995 4 V HN 0.877 nan 8.190 nan 0.000 0.424 5 A N 4.723 127.577 122.820 0.057 0.000 2.288 5 A HA 0.850 5.170 4.320 -0.000 0.000 0.320 5 A C -0.764 176.833 177.584 0.021 0.000 1.217 5 A CA -0.507 51.548 52.037 0.030 0.000 0.840 5 A CB 1.352 20.366 19.000 0.024 0.000 1.179 5 A HN 0.667 nan 8.150 nan 0.000 0.504 6 V N 3.100 123.018 119.914 0.007 0.000 2.417 6 V HA 0.555 4.674 4.120 -0.000 0.000 0.291 6 V C -0.400 175.691 176.094 -0.005 0.000 1.024 6 V CA -0.493 61.807 62.300 -0.001 0.000 0.861 6 V CB 1.436 33.252 31.823 -0.012 0.000 0.985 6 V HN 0.781 nan 8.190 nan 0.000 0.436 7 V N 4.657 124.568 119.914 -0.006 0.000 2.588 7 V HA 0.924 5.044 4.120 -0.000 0.000 0.304 7 V C 0.291 176.381 176.094 -0.007 0.000 1.042 7 V CA 0.056 62.353 62.300 -0.004 0.000 0.877 7 V CB 1.925 33.747 31.823 -0.001 0.000 0.996 7 V HN 0.936 nan 8.190 nan 0.000 0.425 8 G N 4.146 112.943 108.800 -0.005 0.000 2.389 8 G HA2 0.592 4.551 3.960 -0.000 0.000 0.328 8 G HA3 0.592 4.551 3.960 -0.000 0.000 0.328 8 G C -1.196 173.702 174.900 -0.003 0.000 1.133 8 G CA -0.488 44.609 45.100 -0.005 0.000 0.891 8 G HN 0.890 nan 8.290 nan 0.000 0.485 9 V N 3.191 123.101 119.914 -0.007 0.000 2.380 9 V HA 0.244 4.364 4.120 -0.000 0.000 0.268 9 V C -2.294 173.794 176.094 -0.011 0.000 1.008 9 V CA -1.263 61.033 62.300 -0.006 0.000 0.823 9 V CB 1.797 33.617 31.823 -0.005 0.000 1.053 9 V HN 0.595 nan 8.190 nan 0.000 0.446 10 P HA 0.240 nan 4.420 nan 0.000 0.263 10 P C -0.403 176.882 177.300 -0.025 0.000 1.601 10 P CA 0.334 63.425 63.100 -0.015 0.000 1.161 10 P CB 0.022 31.716 31.700 -0.009 0.000 1.730 11 M N 2.909 122.492 119.600 -0.028 0.000 2.022 11 M HA 0.281 4.761 4.480 -0.000 0.000 0.298 11 M C -1.103 175.174 176.300 -0.038 0.000 0.909 11 M CA -0.542 54.737 55.300 -0.035 0.000 0.914 11 M CB 1.136 33.724 32.600 -0.019 0.000 1.486 11 M HN -0.124 nan 8.290 nan 0.000 0.415 12 D N 6.801 127.170 120.400 -0.052 0.000 2.505 12 D HA 0.499 5.138 4.640 -0.000 0.000 0.242 12 D C -1.219 175.058 176.300 -0.038 0.000 1.136 12 D CA 0.129 54.105 54.000 -0.041 0.000 0.954 12 D CB 0.173 40.951 40.800 -0.036 0.000 1.002 12 D HN 0.635 nan 8.370 nan 0.000 0.512 20 V N 1.663 121.551 119.914 -0.044 0.000 2.380 20 V HA -0.197 3.923 4.120 -0.000 0.000 0.251 20 V C 2.581 178.650 176.094 -0.041 0.000 1.063 20 V CA 2.388 64.657 62.300 -0.053 0.000 1.055 20 V CB -0.799 30.976 31.823 -0.080 0.000 0.657 20 V HN 0.530 nan 8.190 nan 0.000 0.455 21 D N 0.325 120.704 120.400 -0.036 0.000 2.311 21 D HA -0.257 4.383 4.640 -0.000 0.000 0.212 21 D C 1.826 178.114 176.300 -0.019 0.000 0.972 21 D CA 1.594 55.577 54.000 -0.029 0.000 0.887 21 D CB -0.350 40.431 40.800 -0.031 0.000 0.915 21 D HN 0.498 nan 8.370 nan 0.000 0.497 22 M N 0.203 119.791 119.600 -0.019 0.000 2.561 22 M HA 0.171 4.651 4.480 -0.000 0.000 0.238 22 M C 2.060 178.358 176.300 -0.003 0.000 1.131 22 M CA 0.362 55.655 55.300 -0.012 0.000 1.046 22 M CB 0.489 33.075 32.600 -0.022 0.000 1.532 22 M HN 0.090 nan 8.290 nan 0.000 0.497 23 G N 2.482 111.275 108.800 -0.011 0.000 2.552 23 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 23 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 23 G C -0.814 174.092 174.900 0.010 0.000 1.240 23 G CA 0.612 45.707 45.100 -0.009 0.000 0.796 23 G HN 0.294 nan 8.290 nan 0.000 0.568 24 P HA -0.139 nan 4.420 nan 0.000 0.218 24 P C 1.860 179.191 177.300 0.052 0.000 1.147 24 P CA 1.859 64.968 63.100 0.015 0.000 0.827 24 P CB -0.096 31.608 31.700 0.007 0.000 0.778 25 S N -0.183 115.568 115.700 0.085 0.000 2.348 25 S HA 0.040 4.510 4.470 -0.000 0.000 0.219 25 S C 2.252 177.029 174.600 0.294 0.000 1.033 25 S CA 1.010 59.329 58.200 0.198 0.000 0.974 25 S CB -0.957 62.339 63.200 0.160 0.000 0.868 25 S HN 0.184 nan 8.310 nan 0.000 0.459 26 A N 1.593 124.501 122.820 0.147 0.000 1.917 26 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 26 A C 2.109 179.777 177.584 0.139 0.000 1.182 26 A CA 1.397 53.509 52.037 0.125 0.000 0.633 26 A CB -0.908 18.116 19.000 0.040 0.000 0.819 26 A HN 0.456 nan 8.150 nan 0.000 0.448 27 L N -1.173 120.098 121.223 0.081 0.000 2.046 27 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 27 L C 2.930 179.818 176.870 0.029 0.000 1.077 27 L CA 1.461 56.325 54.840 0.039 0.000 0.747 27 L CB -0.428 41.634 42.059 0.006 0.000 0.896 27 L HN 0.376 nan 8.230 nan 0.000 0.432 28 R N -0.982 119.533 120.500 0.025 0.000 2.075 28 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 28 R C 2.208 178.411 176.300 -0.162 0.000 1.126 28 R CA 1.491 57.537 56.100 -0.090 0.000 0.963 28 R CB -0.508 29.696 30.300 -0.160 0.000 0.858 28 R HN 0.330 nan 8.270 nan 0.000 0.435 29 Y N 0.369 120.665 120.300 -0.007 0.000 2.497 29 Y HA -0.031 4.519 4.550 0.000 0.000 0.292 29 Y C 2.086 177.984 175.900 -0.003 0.000 1.137 29 Y CA 0.694 58.792 58.100 -0.004 0.000 1.285 29 Y CB -0.046 38.411 38.460 -0.005 0.000 0.991 29 Y HN 0.101 nan 8.280 nan 0.000 0.556 30 A N 0.205 123.089 122.820 0.106 0.000 2.276 30 A HA 0.103 4.423 4.320 -0.000 0.000 0.212 30 A C 1.019 178.618 177.584 0.025 0.000 1.230 30 A CA -0.005 52.071 52.037 0.064 0.000 0.844 30 A CB -0.701 18.329 19.000 0.050 0.000 0.860 30 A HN 0.491 nan 8.150 nan 0.000 0.486 31 R N -2.668 117.830 120.500 -0.003 0.000 3.641 31 R HA -0.225 4.115 4.340 -0.000 0.000 0.286 31 R C 0.893 177.177 176.300 -0.026 0.000 1.153 31 R CA 0.608 56.692 56.100 -0.027 0.000 0.775 31 R CB -2.449 27.846 30.300 -0.010 0.000 1.215 31 R HN 0.505 nan 8.270 nan 0.000 0.474 32 L N 0.601 121.806 121.223 -0.030 0.000 1.997 32 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 32 L C 2.037 178.886 176.870 -0.035 0.000 1.074 32 L CA 2.277 57.098 54.840 -0.032 0.000 0.763 32 L CB -0.403 41.633 42.059 -0.037 0.000 0.890 32 L HN 0.429 nan 8.230 nan 0.000 0.434 33 L N -0.541 120.656 121.223 -0.043 0.000 1.944 33 L HA -0.288 4.052 4.340 -0.000 0.000 0.218 33 L C 2.519 179.378 176.870 -0.019 0.000 1.075 33 L CA 2.088 56.907 54.840 -0.035 0.000 0.767 33 L CB -0.603 41.428 42.059 -0.046 0.000 0.890 33 L HN 0.292 nan 8.230 nan 0.000 0.434 34 E N -0.706 119.481 120.200 -0.023 0.000 2.108 34 E HA -0.324 4.026 4.350 -0.000 0.000 0.203 34 E C 2.201 178.803 176.600 0.003 0.000 1.022 34 E CA 1.897 58.290 56.400 -0.010 0.000 0.823 34 E CB -0.264 29.427 29.700 -0.016 0.000 0.744 34 E HN 0.521 nan 8.360 nan 0.000 0.456 35 Q N -0.226 119.575 119.800 0.001 0.000 2.124 35 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 35 Q C 2.270 178.290 176.000 0.033 0.000 0.977 35 Q CA 0.925 56.736 55.803 0.012 0.000 0.850 35 Q CB -0.122 28.620 28.738 0.008 0.000 0.901 35 Q HN 0.305 nan 8.270 nan 0.000 0.429 36 L N 0.335 121.573 121.223 0.025 0.000 2.191 36 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 36 L C 2.113 179.076 176.870 0.155 0.000 1.103 36 L CA 1.049 55.929 54.840 0.067 0.000 0.769 36 L CB -0.175 41.861 42.059 -0.038 0.000 0.908 36 L HN 0.273 nan 8.230 nan 0.000 0.438 37 E N -0.149 120.099 120.200 0.080 0.000 2.046 37 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 37 E C 1.747 178.372 176.600 0.043 0.000 0.982 37 E CA 1.167 57.606 56.400 0.066 0.000 0.800 37 E CB 0.143 29.862 29.700 0.032 0.000 0.756 37 E HN 0.403 nan 8.360 nan 0.000 0.449 38 D N 0.399 120.818 120.400 0.031 0.000 2.178 38 D HA -0.153 4.486 4.640 -0.000 0.000 0.201 38 D C 1.719 178.023 176.300 0.008 0.000 0.980 38 D CA 0.586 54.594 54.000 0.013 0.000 0.842 38 D CB -0.095 40.711 40.800 0.010 0.000 0.948 38 D HN 0.115 nan 8.370 nan 0.000 0.472 39 L N -0.227 121.019 121.223 0.038 0.000 2.549 39 L HA 0.102 4.441 4.340 -0.000 0.000 0.229 39 L C 1.494 178.307 176.870 -0.094 0.000 1.158 39 L CA 1.311 56.165 54.840 0.024 0.000 0.842 39 L CB -0.300 41.846 42.059 0.144 0.000 0.952 39 L HN 0.242 nan 8.230 nan 0.000 0.452 40 G N -3.077 105.677 108.800 -0.078 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 0.035 174.810 174.900 -0.208 0.000 0.990 40 G CA -0.025 44.974 45.100 -0.169 0.000 0.646 40 G HN 0.276 nan 8.290 nan 0.000 0.517 41 Y N 1.839 122.117 120.300 -0.037 0.000 2.301 41 Y HA 0.519 5.069 4.550 0.001 0.000 0.325 41 Y C 1.344 177.232 175.900 -0.020 0.000 1.203 41 Y CA 0.306 58.386 58.100 -0.034 0.000 1.255 41 Y CB 1.221 39.650 38.460 -0.051 0.000 1.232 41 Y HN 0.209 nan 8.280 nan 0.000 0.501 42 T N 0.336 114.984 114.554 0.157 0.000 2.749 42 T HA 0.595 4.945 4.350 -0.000 0.000 0.295 42 T C -0.523 174.233 174.700 0.093 0.000 0.936 42 T CA -0.702 61.451 62.100 0.089 0.000 1.060 42 T CB 0.231 69.134 68.868 0.059 0.000 0.904 42 T HN 0.337 nan 8.240 nan 0.000 0.500 43 V N 3.319 123.269 119.914 0.061 0.000 2.555 43 V HA 0.536 4.656 4.120 -0.000 0.000 0.302 43 V C 0.026 176.132 176.094 0.020 0.000 1.038 43 V CA -0.841 61.481 62.300 0.037 0.000 0.887 43 V CB 1.733 33.568 31.823 0.021 0.000 0.991 43 V HN 0.979 nan 8.190 nan 0.000 0.434 44 E N 2.083 122.293 120.200 0.016 0.000 2.224 44 E HA 0.264 4.614 4.350 -0.000 0.000 0.265 44 E C -1.522 175.079 176.600 0.002 0.000 0.878 44 E CA -0.612 55.794 56.400 0.010 0.000 0.759 44 E CB 1.617 31.327 29.700 0.016 0.000 1.164 44 E HN 0.680 nan 8.360 nan 0.000 0.414 45 D N 4.914 125.310 120.400 -0.006 0.000 2.393 45 D HA 0.108 4.748 4.640 -0.000 0.000 0.232 45 D C 0.843 177.140 176.300 -0.005 0.000 1.192 45 D CA -0.095 53.898 54.000 -0.011 0.000 0.882 45 D CB 0.804 41.590 40.800 -0.022 0.000 1.038 45 D HN 0.543 nan 8.370 nan 0.000 0.499 46 L N 3.079 124.300 121.223 -0.002 0.000 2.610 46 L HA 0.133 4.473 4.340 -0.000 0.000 0.232 46 L C 1.510 178.380 176.870 0.001 0.000 1.149 46 L CA 0.306 55.147 54.840 0.001 0.000 0.872 46 L CB -0.892 41.169 42.059 0.004 0.000 0.992 46 L HN 0.613 nan 8.230 nan 0.000 0.447 47 G N 0.427 109.226 108.800 -0.003 0.000 2.698 47 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.233 47 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.233 47 G C -0.704 174.196 174.900 0.001 0.000 1.352 47 G CA -0.496 44.603 45.100 -0.002 0.000 0.879 47 G HN 0.229 nan 8.290 nan 0.000 0.567 48 D N -1.192 119.210 120.400 0.003 0.000 2.326 48 D HA 0.589 5.229 4.640 -0.000 0.000 0.251 48 D C 0.153 176.456 176.300 0.005 0.000 1.023 48 D CA -0.313 53.690 54.000 0.004 0.000 0.966 48 D CB 1.759 42.562 40.800 0.005 0.000 1.156 48 D HN 0.399 nan 8.370 nan 0.000 0.494 49 V N 2.660 122.577 119.914 0.006 0.000 2.370 49 V HA 0.278 4.397 4.120 -0.000 0.000 0.279 49 V C -2.065 174.032 176.094 0.006 0.000 1.029 49 V CA -1.621 60.685 62.300 0.009 0.000 0.870 49 V CB 1.398 33.228 31.823 0.012 0.000 0.984 49 V HN 0.440 nan 8.190 nan 0.000 0.451 50 P HA 0.079 nan 4.420 nan 0.000 0.262 50 P C -0.903 176.397 177.300 -0.000 0.000 1.182 50 P CA 0.282 63.384 63.100 0.004 0.000 0.761 50 P CB 0.417 32.121 31.700 0.007 0.000 0.795 51 V N 2.299 122.206 119.914 -0.011 0.000 2.509 51 V HA 0.548 4.668 4.120 -0.000 0.000 0.289 51 V C 0.406 176.476 176.094 -0.040 0.000 1.026 51 V CA -0.001 62.284 62.300 -0.025 0.000 0.872 51 V CB 1.085 32.887 31.823 -0.035 0.000 1.017 51 V HN 0.738 nan 8.190 nan 0.000 0.436 65 A N 0.412 123.195 122.820 -0.060 0.000 2.573 65 A HA -0.038 4.282 4.320 -0.000 0.000 0.266 65 A C -0.209 177.422 177.584 0.079 0.000 1.007 65 A CA 0.631 52.649 52.037 -0.032 0.000 0.878 65 A CB -1.475 17.528 19.000 0.006 0.000 0.886 65 A HN 0.551 nan 8.150 nan 0.000 0.507 66 Y N -0.079 120.206 120.300 -0.023 0.000 3.305 66 Y HA -0.245 4.305 4.550 -0.000 0.000 0.214 66 Y C 1.288 177.178 175.900 -0.017 0.000 1.185 66 Y CA 0.955 59.048 58.100 -0.012 0.000 1.326 66 Y CB -1.935 36.529 38.460 0.008 0.000 1.367 66 Y HN 0.732 nan 8.280 nan 0.000 0.588 67 L N -0.161 121.107 121.223 0.074 0.000 2.012 67 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 67 L C 2.218 179.109 176.870 0.035 0.000 1.073 67 L CA 1.927 56.776 54.840 0.016 0.000 0.748 67 L CB -0.041 41.954 42.059 -0.107 0.000 0.891 67 L HN 0.197 nan 8.230 nan 0.000 0.431 68 E N 0.073 120.295 120.200 0.036 0.000 2.072 68 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 68 E C 2.087 178.728 176.600 0.069 0.000 0.985 68 E CA 1.271 57.697 56.400 0.043 0.000 0.801 68 E CB -0.215 29.505 29.700 0.033 0.000 0.750 68 E HN 0.569 nan 8.360 nan 0.000 0.452 69 E N 0.547 120.803 120.200 0.093 0.000 2.209 69 E HA -0.122 4.227 4.350 -0.000 0.000 0.196 69 E C 2.031 178.669 176.600 0.064 0.000 0.993 69 E CA 0.644 57.091 56.400 0.078 0.000 0.819 69 E CB -0.134 29.621 29.700 0.093 0.000 0.745 69 E HN 0.288 nan 8.360 nan 0.000 0.477 70 I N 0.046 120.667 120.570 0.085 0.000 2.185 70 I HA -0.191 3.979 4.170 -0.000 0.000 0.235 70 I C 2.598 178.804 176.117 0.148 0.000 1.069 70 I CA 0.657 62.013 61.300 0.094 0.000 1.354 70 I CB -0.269 37.791 38.000 0.099 0.000 1.093 70 I HN 0.017 nan 8.210 nan 0.000 0.411 71 R N 1.505 122.121 120.500 0.193 0.000 2.159 71 R HA -0.314 4.026 4.340 -0.000 0.000 0.252 71 R C 2.185 178.620 176.300 0.225 0.000 1.144 71 R CA 2.316 58.589 56.100 0.288 0.000 0.961 71 R CB -0.520 29.855 30.300 0.125 0.000 0.877 71 R HN 0.438 nan 8.270 nan 0.000 0.444 72 A N 0.631 123.525 122.820 0.124 0.000 1.859 72 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 72 A C 2.467 180.114 177.584 0.106 0.000 1.198 72 A CA 2.362 54.453 52.037 0.090 0.000 0.629 72 A CB -1.174 17.862 19.000 0.060 0.000 0.830 72 A HN 0.639 nan 8.150 nan 0.000 0.446 73 A N -0.308 122.568 122.820 0.092 0.000 1.841 73 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 73 A C 2.599 180.239 177.584 0.093 0.000 1.199 73 A CA 2.903 54.982 52.037 0.071 0.000 0.621 73 A CB -1.398 17.627 19.000 0.042 0.000 0.835 73 A HN 1.354 nan 8.150 nan 0.000 0.445 74 A N -0.920 121.969 122.820 0.116 0.000 1.958 74 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 74 A C 2.162 179.877 177.584 0.219 0.000 1.178 74 A CA 1.971 54.055 52.037 0.077 0.000 0.642 74 A CB -0.679 18.262 19.000 -0.098 0.000 0.816 74 A HN 0.698 nan 8.150 nan 0.000 0.453 75 L N -0.125 121.313 121.223 0.359 0.000 2.083 75 L HA -0.116 4.223 4.340 -0.000 0.000 0.209 75 L C 2.353 179.314 176.870 0.152 0.000 1.083 75 L CA 1.785 56.798 54.840 0.289 0.000 0.752 75 L CB -0.242 41.909 42.059 0.155 0.000 0.899 75 L HN 0.206 nan 8.230 nan 0.000 0.433 76 V N -1.164 118.815 119.914 0.108 0.000 2.548 76 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 76 V C 2.342 178.473 176.094 0.061 0.000 1.055 76 V CA 1.290 63.631 62.300 0.068 0.000 1.065 76 V CB -0.729 31.124 31.823 0.050 0.000 0.681 76 V HN 0.425 nan 8.190 nan 0.000 0.462 77 L N 1.005 122.265 121.223 0.063 0.000 1.970 77 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 77 L C 2.549 179.449 176.870 0.050 0.000 1.071 77 L CA 2.588 57.453 54.840 0.041 0.000 0.751 77 L CB -0.842 41.231 42.059 0.022 0.000 0.889 77 L HN 0.345 nan 8.230 nan 0.000 0.432 78 K N -0.366 120.083 120.400 0.081 0.000 2.034 78 K HA -0.284 4.036 4.320 -0.000 0.000 0.214 78 K C 1.890 178.534 176.600 0.074 0.000 1.051 78 K CA 2.432 58.777 56.287 0.098 0.000 0.931 78 K CB -0.360 32.261 32.500 0.202 0.000 0.715 78 K HN 0.558 nan 8.250 nan 0.000 0.446 79 E N -0.276 119.967 120.200 0.072 0.000 2.118 79 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 79 E C 2.229 178.850 176.600 0.036 0.000 0.992 79 E CA 1.313 57.743 56.400 0.049 0.000 0.804 79 E CB -0.093 29.633 29.700 0.043 0.000 0.741 79 E HN 0.271 nan 8.360 nan 0.000 0.458 80 R N 1.047 121.568 120.500 0.035 0.000 2.075 80 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 80 R C 2.139 178.450 176.300 0.019 0.000 1.126 80 R CA 0.980 57.095 56.100 0.024 0.000 0.963 80 R CB -0.223 30.090 30.300 0.022 0.000 0.858 80 R HN 0.132 nan 8.270 nan 0.000 0.435 81 L N -0.133 121.102 121.223 0.020 0.000 2.093 81 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 81 L C 2.437 179.314 176.870 0.011 0.000 1.085 81 L CA 1.151 55.997 54.840 0.010 0.000 0.755 81 L CB -0.605 41.459 42.059 0.008 0.000 0.904 81 L HN 0.349 nan 8.230 nan 0.000 0.435 82 A N 0.034 122.866 122.820 0.020 0.000 2.070 82 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 82 A C 2.239 179.833 177.584 0.017 0.000 1.159 82 A CA 1.505 53.554 52.037 0.020 0.000 0.656 82 A CB -0.431 18.586 19.000 0.028 0.000 0.800 82 A HN 0.394 nan 8.150 nan 0.000 0.453 83 A N -0.863 121.967 122.820 0.017 0.000 2.251 83 A HA 0.489 4.809 4.320 -0.000 0.000 0.209 83 A C 0.668 178.260 177.584 0.014 0.000 1.187 83 A CA -0.282 51.764 52.037 0.015 0.000 0.823 83 A CB -0.318 18.691 19.000 0.016 0.000 0.846 83 A HN 0.412 nan 8.150 nan 0.000 0.486 84 L N 1.528 122.758 121.223 0.012 0.000 2.371 84 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 84 L C -1.955 174.924 176.870 0.015 0.000 1.124 84 L CA -2.029 52.818 54.840 0.012 0.000 0.816 84 L CB 0.425 42.488 42.059 0.008 0.000 1.129 84 L HN 0.087 nan 8.230 nan 0.000 0.448 85 P HA -0.034 nan 4.420 nan 0.000 0.266 85 P C -0.481 176.833 177.300 0.023 0.000 1.193 85 P CA -0.107 63.006 63.100 0.021 0.000 0.770 85 P CB 0.491 32.206 31.700 0.024 0.000 0.836 86 E N 0.910 121.123 120.200 0.023 0.000 2.442 86 E HA 0.274 4.623 4.350 -0.000 0.000 0.262 86 E C 1.367 177.988 176.600 0.036 0.000 1.004 86 E CA 1.633 58.048 56.400 0.025 0.000 0.928 86 E CB -0.384 29.330 29.700 0.024 0.000 0.937 86 E HN 0.739 nan 8.360 nan 0.000 0.446 87 G N 2.071 110.897 108.800 0.043 0.000 2.157 87 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.248 87 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.248 87 G C -0.115 174.839 174.900 0.091 0.000 0.979 87 G CA 0.067 45.208 45.100 0.068 0.000 0.650 87 G HN 0.487 nan 8.290 nan 0.000 0.529 88 V N 1.049 121.006 119.914 0.070 0.000 2.407 88 V HA 0.591 4.711 4.120 -0.000 0.000 0.278 88 V C 0.155 176.303 176.094 0.089 0.000 1.037 88 V CA -0.708 61.644 62.300 0.086 0.000 0.900 88 V CB 1.337 33.192 31.823 0.052 0.000 0.983 88 V HN 0.318 nan 8.190 nan 0.000 0.459 89 F N 9.515 129.456 119.950 -0.014 0.000 2.413 89 F HA 0.466 4.993 4.527 -0.001 0.000 0.359 89 F C -1.909 173.851 175.800 -0.066 0.000 1.122 89 F CA -2.053 55.917 58.000 -0.049 0.000 1.160 89 F CB 1.225 40.167 39.000 -0.096 0.000 1.146 89 F HN 0.328 nan 8.300 nan 0.000 0.514 90 P HA 0.302 nan 4.420 nan 0.000 0.297 90 P C -0.906 176.324 177.300 -0.116 0.000 1.319 90 P CA -0.151 62.872 63.100 -0.128 0.000 0.810 90 P CB 1.703 33.319 31.700 -0.140 0.000 0.947 91 I N 3.747 124.328 120.570 0.018 0.000 2.382 91 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 91 I C 0.006 176.116 176.117 -0.013 0.000 1.007 91 I CA -1.126 60.190 61.300 0.025 0.000 1.142 91 I CB 2.182 40.216 38.000 0.056 0.000 1.289 91 I HN -0.009 nan 8.210 nan 0.000 0.453 92 V N 7.538 127.435 119.914 -0.028 0.000 2.334 92 V HA 0.289 4.409 4.120 -0.000 0.000 0.267 92 V C 0.449 176.524 176.094 -0.031 0.000 1.040 92 V CA -0.401 61.887 62.300 -0.020 0.000 0.866 92 V CB 0.797 32.617 31.823 -0.005 0.000 1.019 92 V HN 0.495 nan 8.190 nan 0.000 0.468 93 L N 4.554 125.760 121.223 -0.028 0.000 2.436 93 L HA 0.788 5.128 4.340 -0.000 0.000 0.265 93 L C 0.909 177.758 176.870 -0.033 0.000 1.168 93 L CA 0.254 55.074 54.840 -0.034 0.000 0.815 93 L CB 0.745 42.790 42.059 -0.023 0.000 1.109 93 L HN 0.734 nan 8.230 nan 0.000 0.462 94 G N 0.140 108.913 108.800 -0.045 0.000 2.606 94 G HA2 0.568 4.528 3.960 -0.000 0.000 0.300 94 G HA3 0.568 4.528 3.960 -0.000 0.000 0.300 94 G C -0.542 174.328 174.900 -0.050 0.000 1.360 94 G CA 0.045 45.120 45.100 -0.043 0.000 0.783 94 G HN 0.757 nan 8.290 nan 0.000 0.484 95 G N -1.083 107.691 108.800 -0.043 0.000 3.345 95 G HA2 0.455 4.414 3.960 -0.000 0.000 0.202 95 G HA3 0.455 4.414 3.960 -0.000 0.000 0.202 95 G C -0.403 174.460 174.900 -0.061 0.000 1.740 95 G CA -0.114 44.955 45.100 -0.052 0.000 0.806 95 G HN 0.574 nan 8.290 nan 0.000 0.718 96 D N -0.347 120.026 120.400 -0.045 0.000 2.429 96 D HA -0.030 4.610 4.640 -0.000 0.000 0.233 96 D C 0.653 177.000 176.300 0.077 0.000 1.202 96 D CA 0.496 54.484 54.000 -0.020 0.000 0.879 96 D CB 0.684 41.519 40.800 0.058 0.000 1.212 96 D HN 0.509 nan 8.370 nan 0.000 0.465 97 H N -0.297 118.802 119.070 0.048 0.000 2.555 97 H HA -0.011 4.545 4.556 -0.000 0.000 0.269 97 H C 1.482 176.894 175.328 0.139 0.000 0.988 97 H CA 0.087 56.193 56.048 0.098 0.000 1.178 97 H CB 0.476 30.349 29.762 0.185 0.000 1.373 97 H HN 0.189 nan 8.280 nan 0.000 0.588 98 S N 0.732 116.581 115.700 0.249 0.000 2.419 98 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 98 S C 2.027 176.663 174.600 0.059 0.000 1.016 98 S CA 0.994 59.278 58.200 0.140 0.000 0.974 98 S CB -0.184 63.090 63.200 0.124 0.000 0.786 98 S HN 0.473 nan 8.310 nan 0.000 0.492 99 L N 0.867 122.131 121.223 0.068 0.000 2.349 99 L HA 0.106 4.446 4.340 -0.000 0.000 0.220 99 L C 1.749 178.612 176.870 -0.012 0.000 1.130 99 L CA 1.264 56.109 54.840 0.008 0.000 0.791 99 L CB -1.436 40.632 42.059 0.016 0.000 0.918 99 L HN -0.032 nan 8.230 nan 0.000 0.444 100 S N -0.397 115.350 115.700 0.078 0.000 2.447 100 S HA -0.001 4.469 4.470 -0.000 0.000 0.233 100 S C 1.836 176.407 174.600 -0.048 0.000 1.006 100 S CA 1.442 59.700 58.200 0.095 0.000 0.957 100 S CB -0.396 62.994 63.200 0.318 0.000 0.773 100 S HN 0.525 nan 8.310 nan 0.000 0.507 101 M N 0.632 120.110 119.600 -0.204 0.000 2.108 101 M HA -0.093 4.387 4.480 -0.000 0.000 0.261 101 M C 2.458 178.337 176.300 -0.702 0.000 1.066 101 M CA 1.701 56.689 55.300 -0.521 0.000 1.107 101 M CB -0.818 31.262 32.600 -0.867 0.000 1.356 101 M HN 0.458 nan 8.290 nan 0.000 0.406 102 G N -0.116 108.324 108.800 -0.601 0.000 2.394 102 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 102 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 102 G C 1.631 176.470 174.900 -0.101 0.000 1.176 102 G CA 0.991 45.911 45.100 -0.300 0.000 0.786 102 G HN 0.548 nan 8.290 nan 0.000 0.533 103 S N 0.777 116.434 115.700 -0.073 0.000 2.351 103 S HA -0.162 4.308 4.470 -0.000 0.000 0.220 103 S C 2.306 176.888 174.600 -0.030 0.000 1.035 103 S CA 1.674 59.871 58.200 -0.004 0.000 1.031 103 S CB -0.906 62.333 63.200 0.065 0.000 0.928 103 S HN 0.112 nan 8.310 nan 0.000 0.433 104 V N 3.449 123.280 119.914 -0.139 0.000 2.231 104 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 104 V C 3.192 179.233 176.094 -0.089 0.000 1.054 104 V CA 1.963 64.106 62.300 -0.261 0.000 1.015 104 V CB -1.825 29.830 31.823 -0.280 0.000 0.638 104 V HN 0.707 nan 8.190 nan 0.000 0.444 105 A N 0.647 123.443 122.820 -0.039 0.000 1.869 105 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 105 A C 2.448 180.058 177.584 0.043 0.000 1.203 105 A CA 2.598 54.659 52.037 0.040 0.000 0.638 105 A CB -1.534 17.550 19.000 0.139 0.000 0.831 105 A HN 0.581 nan 8.150 nan 0.000 0.450 106 G N -1.216 107.610 108.800 0.043 0.000 2.408 106 G HA2 0.071 4.031 3.960 -0.000 0.000 0.217 106 G HA3 0.071 4.031 3.960 -0.000 0.000 0.217 106 G C 1.659 176.572 174.900 0.022 0.000 1.150 106 G CA 1.400 46.524 45.100 0.040 0.000 0.776 106 G HN 0.926 nan 8.290 nan 0.000 0.542 107 A N 0.815 123.645 122.820 0.016 0.000 2.066 107 A HA 0.475 4.795 4.320 -0.000 0.000 0.218 107 A C 2.690 180.284 177.584 0.016 0.000 1.157 107 A CA 1.670 53.716 52.037 0.015 0.000 0.670 107 A CB -0.429 18.607 19.000 0.061 0.000 0.804 107 A HN 0.628 nan 8.150 nan 0.000 0.453 108 A N -0.514 122.315 122.820 0.015 0.000 1.933 108 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 108 A C 1.367 178.962 177.584 0.018 0.000 1.175 108 A CA 1.153 53.201 52.037 0.017 0.000 0.628 108 A CB -0.321 18.686 19.000 0.012 0.000 0.814 108 A HN 0.551 nan 8.150 nan 0.000 0.444 109 R N -2.700 117.811 120.500 0.018 0.000 3.418 109 R HA -0.204 4.136 4.340 -0.000 0.000 0.274 109 R C 1.062 177.373 176.300 0.019 0.000 1.108 109 R CA 0.408 56.519 56.100 0.018 0.000 0.741 109 R CB -2.456 27.852 30.300 0.014 0.000 1.223 109 R HN 1.642 nan 8.270 nan 0.000 0.434 110 G N -0.353 108.460 108.800 0.021 0.000 2.412 110 G HA2 -0.456 3.503 3.960 -0.000 0.000 0.252 110 G HA3 -0.456 3.503 3.960 -0.000 0.000 0.252 110 G C 0.398 175.309 174.900 0.018 0.000 1.038 110 G CA 0.872 45.984 45.100 0.019 0.000 0.628 110 G HN 0.438 nan 8.290 nan 0.000 0.531 111 R N 1.297 121.808 120.500 0.018 0.000 2.582 111 R HA 0.507 4.847 4.340 -0.000 0.000 0.271 111 R C 0.861 177.174 176.300 0.021 0.000 1.078 111 R CA -0.819 55.292 56.100 0.019 0.000 1.127 111 R CB 0.198 30.510 30.300 0.019 0.000 1.038 111 R HN 0.372 nan 8.270 nan 0.000 0.500 112 R N 3.824 124.336 120.500 0.020 0.000 2.413 112 R HA 0.138 4.478 4.340 -0.000 0.000 0.333 112 R C -0.535 175.782 176.300 0.029 0.000 1.074 112 R CA -0.137 55.976 56.100 0.022 0.000 0.982 112 R CB -0.412 29.898 30.300 0.017 0.000 0.981 112 R HN 0.459 nan 8.270 nan 0.000 0.452 113 V N 1.449 121.384 119.914 0.036 0.000 2.975 113 V HA 0.809 4.928 4.120 -0.000 0.000 0.318 113 V C 0.326 176.459 176.094 0.064 0.000 1.077 113 V CA -0.712 61.619 62.300 0.052 0.000 1.000 113 V CB 1.756 33.616 31.823 0.061 0.000 1.066 113 V HN 0.695 nan 8.190 nan 0.000 0.452 114 G N 0.883 109.734 108.800 0.085 0.000 2.356 114 G HA2 0.567 4.526 3.960 -0.000 0.000 0.298 114 G HA3 0.567 4.526 3.960 -0.000 0.000 0.298 114 G C -0.884 174.105 174.900 0.147 0.000 1.145 114 G CA -0.552 44.610 45.100 0.102 0.000 0.850 114 G HN 1.034 nan 8.290 nan 0.000 0.487 115 V N 2.675 122.685 119.914 0.160 0.000 2.334 115 V HA 0.263 4.383 4.120 -0.000 0.000 0.281 115 V C -0.138 176.111 176.094 0.259 0.000 1.016 115 V CA -0.668 61.768 62.300 0.226 0.000 0.832 115 V CB 1.497 33.445 31.823 0.209 0.000 0.999 115 V HN 0.493 nan 8.190 nan 0.000 0.439 116 V N 4.943 125.020 119.914 0.272 0.000 2.304 116 V HA 0.278 4.398 4.120 -0.000 0.000 0.269 116 V C -0.255 176.014 176.094 0.291 0.000 1.036 116 V CA -0.493 61.950 62.300 0.238 0.000 0.840 116 V CB 1.019 32.932 31.823 0.150 0.000 1.036 116 V HN 0.870 nan 8.190 nan 0.000 0.466 117 W N 5.460 126.826 121.300 0.110 0.000 2.331 117 W HA 0.534 5.194 4.660 -0.000 0.000 0.306 117 W C -0.882 175.701 176.519 0.105 0.000 1.162 117 W CA -0.451 56.967 57.345 0.123 0.000 1.232 117 W CB 1.896 31.415 29.460 0.098 0.000 1.235 117 W HN 0.331 nan 8.180 nan 0.000 0.479 118 V N 6.251 126.159 119.914 -0.010 0.000 2.266 118 V HA 0.135 4.255 4.120 -0.000 0.000 0.266 118 V C -0.240 175.840 176.094 -0.022 0.000 1.036 118 V CA -0.361 61.947 62.300 0.014 0.000 0.828 118 V CB 0.677 32.477 31.823 -0.039 0.000 1.081 118 V HN 0.446 nan 8.190 nan 0.000 0.449 119 D N 2.269 122.749 120.400 0.133 0.000 2.493 119 D HA 0.674 5.314 4.640 -0.000 0.000 0.239 119 D C 0.759 177.122 176.300 0.105 0.000 1.049 119 D CA -0.113 53.995 54.000 0.181 0.000 1.008 119 D CB 3.036 44.136 40.800 0.500 0.000 1.398 119 D HN 0.282 nan 8.370 nan 0.000 0.513 120 A N 0.808 123.603 122.820 -0.042 0.000 2.132 120 A HA 0.096 4.416 4.320 -0.000 0.000 0.213 120 A C 0.253 177.656 177.584 -0.302 0.000 1.154 120 A CA 0.902 52.800 52.037 -0.232 0.000 0.753 120 A CB -0.367 18.389 19.000 -0.406 0.000 0.826 120 A HN 0.588 nan 8.150 nan 0.000 0.469 121 H N -3.363 115.819 119.070 0.188 0.000 2.693 121 H HA 0.679 5.235 4.556 -0.000 0.000 0.348 121 H C 0.830 176.295 175.328 0.230 0.000 1.222 121 H CA -0.186 55.973 56.048 0.185 0.000 1.270 121 H CB 1.529 31.408 29.762 0.195 0.000 1.798 121 H HN 0.019 nan 8.280 nan 0.000 0.592 122 A N -0.224 122.765 122.820 0.281 0.000 2.303 122 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 122 A C -0.000 177.626 177.584 0.071 0.000 1.205 122 A CA 0.102 52.218 52.037 0.132 0.000 0.875 122 A CB -0.318 18.700 19.000 0.029 0.000 0.910 122 A HN 0.809 nan 8.150 nan 0.000 0.501 123 D N -1.618 118.890 120.400 0.180 0.000 2.706 123 D HA -0.214 4.426 4.640 -0.000 0.000 0.230 123 D C -0.401 175.896 176.300 -0.005 0.000 1.184 123 D CA 1.043 55.090 54.000 0.079 0.000 0.628 123 D CB -1.378 39.478 40.800 0.093 0.000 1.019 123 D HN 0.449 nan 8.370 nan 0.000 0.415 124 F N 0.947 120.815 119.950 -0.136 0.000 2.679 124 F HA 0.295 4.822 4.527 -0.000 0.000 0.354 124 F C 0.205 175.951 175.800 -0.090 0.000 1.423 124 F CA -0.636 57.270 58.000 -0.157 0.000 1.141 124 F CB 0.212 39.116 39.000 -0.160 0.000 1.168 124 F HN -0.208 nan 8.300 nan 0.000 0.530 125 N N -0.191 118.437 118.700 -0.119 0.000 2.432 125 N HA 0.613 5.353 4.740 -0.000 0.000 0.292 125 N C -0.471 174.937 175.510 -0.170 0.000 1.193 125 N CA -0.552 52.429 53.050 -0.116 0.000 0.878 125 N CB 1.744 40.203 38.487 -0.047 0.000 1.252 125 N HN 0.228 nan 8.380 nan 0.000 0.520 126 T N -2.533 111.944 114.554 -0.127 0.000 2.927 126 T HA 0.404 4.754 4.350 -0.000 0.000 0.286 126 T C -2.294 172.372 174.700 -0.056 0.000 1.040 126 T CA -1.732 60.306 62.100 -0.104 0.000 1.010 126 T CB 1.914 70.718 68.868 -0.107 0.000 1.177 126 T HN 0.125 nan 8.240 nan 0.000 0.546 127 P HA 0.033 nan 4.420 nan 0.000 0.223 127 P C 0.932 178.222 177.300 -0.018 0.000 1.151 127 P CA 0.750 63.842 63.100 -0.014 0.000 0.787 127 P CB 0.109 31.823 31.700 0.022 0.000 0.788 128 E N -0.604 119.582 120.200 -0.023 0.000 2.001 128 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 128 E C 1.808 178.397 176.600 -0.019 0.000 1.002 128 E CA 1.950 58.338 56.400 -0.020 0.000 0.819 128 E CB -1.883 27.803 29.700 -0.025 0.000 0.769 128 E HN 0.265 nan 8.360 nan 0.000 0.454 129 T N -1.351 113.189 114.554 -0.024 0.000 3.320 129 T HA 0.145 4.495 4.350 -0.000 0.000 0.258 129 T C 0.596 175.288 174.700 -0.014 0.000 1.176 129 T CA 0.492 62.583 62.100 -0.015 0.000 1.037 129 T CB -0.520 68.340 68.868 -0.013 0.000 0.958 129 T HN 0.182 nan 8.240 nan 0.000 0.545 133 G N 1.911 110.680 108.800 -0.051 0.000 2.352 133 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.295 133 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.295 133 G C -0.017 174.818 174.900 -0.108 0.000 0.991 133 G CA 0.814 45.874 45.100 -0.067 0.000 0.796 133 G HN 0.854 nan 8.290 nan 0.000 0.511 134 N N -1.082 117.515 118.700 -0.172 0.000 2.520 134 N HA 0.332 5.071 4.740 -0.000 0.000 0.273 134 N C 1.554 176.864 175.510 -0.335 0.000 1.155 134 N CA -0.296 52.550 53.050 -0.340 0.000 0.967 134 N CB 1.258 39.356 38.487 -0.648 0.000 1.092 134 N HN -0.039 nan 8.380 nan 0.000 0.457 135 V N 1.438 121.196 119.914 -0.260 0.000 2.809 135 V HA -0.171 3.948 4.120 -0.000 0.000 0.256 135 V C 1.141 177.195 176.094 -0.067 0.000 1.080 135 V CA 1.271 63.502 62.300 -0.117 0.000 1.102 135 V CB -1.234 30.576 31.823 -0.022 0.000 0.705 135 V HN 0.767 nan 8.190 nan 0.000 0.475 136 H N 0.194 119.291 119.070 0.045 0.000 2.574 136 H HA 0.344 4.900 4.556 -0.000 0.000 0.277 136 H C 1.420 176.787 175.328 0.065 0.000 1.058 136 H CA 0.621 56.714 56.048 0.075 0.000 1.171 136 H CB -0.560 29.258 29.762 0.093 0.000 1.304 136 H HN 0.310 nan 8.280 nan 0.000 0.620 137 G N 0.066 108.880 108.800 0.023 0.000 3.839 137 G HA2 0.223 4.183 3.960 -0.000 0.000 0.286 137 G HA3 0.223 4.183 3.960 -0.000 0.000 0.286 137 G C 0.651 175.543 174.900 -0.013 0.000 1.005 137 G CA -0.064 45.053 45.100 0.028 0.000 0.824 137 G HN 0.492 nan 8.290 nan 0.000 0.489 138 M N -0.590 118.987 119.600 -0.039 0.000 2.211 138 M HA 0.255 4.735 4.480 -0.000 0.000 0.338 138 M C -1.250 174.970 176.300 -0.135 0.000 0.893 138 M CA -0.322 54.919 55.300 -0.098 0.000 1.096 138 M CB 0.295 32.837 32.600 -0.096 0.000 1.923 138 M HN -0.155 nan 8.290 nan 0.000 0.656 139 P HA -0.226 nan 4.420 nan 0.000 0.218 139 P C 1.672 178.836 177.300 -0.227 0.000 1.154 139 P CA 1.428 64.467 63.100 -0.102 0.000 0.872 139 P CB 0.025 31.732 31.700 0.011 0.000 0.790 140 L N 0.004 120.954 121.223 -0.455 0.000 1.989 140 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 140 L C 2.664 179.404 176.870 -0.216 0.000 1.071 140 L CA 2.219 56.701 54.840 -0.598 0.000 0.749 140 L CB -1.721 39.784 42.059 -0.924 0.000 0.890 140 L HN -0.048 nan 8.230 nan 0.000 0.431 141 A N -0.916 121.718 122.820 -0.310 0.000 1.842 141 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 141 A C 2.268 179.651 177.584 -0.334 0.000 1.206 141 A CA 2.719 54.321 52.037 -0.725 0.000 0.630 141 A CB -1.423 17.019 19.000 -0.931 0.000 0.839 141 A HN 0.303 nan 8.150 nan 0.000 0.447 142 V N 0.252 120.035 119.914 -0.219 0.000 2.252 142 V HA -0.372 3.748 4.120 -0.000 0.000 0.255 142 V C 2.616 178.686 176.094 -0.039 0.000 1.071 142 V CA 2.423 64.673 62.300 -0.083 0.000 1.050 142 V CB -0.897 30.924 31.823 -0.004 0.000 0.654 142 V HN 0.588 nan 8.190 nan 0.000 0.448 143 L N 0.429 121.619 121.223 -0.055 0.000 2.042 143 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 143 L C 2.403 179.268 176.870 -0.008 0.000 1.076 143 L CA 2.097 56.924 54.840 -0.021 0.000 0.749 143 L CB -0.675 41.349 42.059 -0.057 0.000 0.893 143 L HN 0.517 nan 8.230 nan 0.000 0.432 144 S N -1.463 114.227 115.700 -0.017 0.000 2.562 144 S HA 0.213 4.683 4.470 -0.000 0.000 0.221 144 S C 1.382 175.984 174.600 0.003 0.000 0.975 144 S CA 0.492 58.709 58.200 0.028 0.000 0.918 144 S CB 0.802 64.084 63.200 0.136 0.000 0.772 144 S HN 0.619 nan 8.310 nan 0.000 0.531 145 G N 1.091 109.868 108.800 -0.037 0.000 3.465 145 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.196 145 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.196 145 G C -0.143 174.708 174.900 -0.082 0.000 1.170 145 G CA -0.467 44.607 45.100 -0.042 0.000 0.887 145 G HN 0.391 nan 8.290 nan 0.000 0.444 146 L N 1.515 122.645 121.223 -0.154 0.000 2.371 146 L HA 0.652 4.992 4.340 -0.000 0.000 0.272 146 L C 0.970 177.738 176.870 -0.169 0.000 1.124 146 L CA 0.169 54.902 54.840 -0.178 0.000 0.816 146 L CB 0.733 42.634 42.059 -0.263 0.000 1.129 146 L HN 1.167 nan 8.230 nan 0.000 0.448 147 G N 0.186 108.919 108.800 -0.112 0.000 2.357 147 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.289 147 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.289 147 G C -1.384 173.509 174.900 -0.013 0.000 1.302 147 G CA -0.927 44.136 45.100 -0.063 0.000 0.936 147 G HN 0.814 nan 8.290 nan 0.000 0.513 148 H N 1.095 120.138 119.070 -0.045 0.000 3.064 148 H HA 0.316 4.871 4.556 -0.000 0.000 0.329 148 H C -1.208 174.104 175.328 -0.027 0.000 1.020 148 H CA 0.480 56.510 56.048 -0.031 0.000 1.402 148 H CB 1.307 31.059 29.762 -0.017 0.000 1.379 148 H HN 0.144 nan 8.280 nan 0.000 0.594 149 P HA -0.100 nan 4.420 nan 0.000 0.219 149 P C 1.296 178.582 177.300 -0.024 0.000 1.150 149 P CA 0.888 63.902 63.100 -0.144 0.000 0.814 149 P CB 0.339 31.917 31.700 -0.204 0.000 0.787 150 R N -0.713 119.863 120.500 0.127 0.000 2.249 150 R HA -0.024 4.316 4.340 -0.000 0.000 0.230 150 R C 1.946 178.268 176.300 0.038 0.000 1.121 150 R CA 0.894 57.069 56.100 0.124 0.000 0.997 150 R CB -0.982 29.454 30.300 0.227 0.000 0.867 150 R HN 0.341 nan 8.270 nan 0.000 0.465 151 L N -0.731 120.557 121.223 0.108 0.000 2.185 151 L HA -0.044 4.295 4.340 -0.000 0.000 0.198 151 L C 2.387 179.297 176.870 0.065 0.000 1.079 151 L CA 1.374 56.287 54.840 0.122 0.000 0.780 151 L CB -0.637 41.559 42.059 0.228 0.000 0.955 151 L HN 0.178 nan 8.230 nan 0.000 0.462 152 T N -2.303 112.289 114.554 0.063 0.000 2.995 152 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 152 T C 1.483 176.168 174.700 -0.025 0.000 1.091 152 T CA 1.073 63.199 62.100 0.044 0.000 1.128 152 T CB -0.386 68.488 68.868 0.010 0.000 0.891 152 T HN 0.531 nan 8.240 nan 0.000 0.492 153 E N 1.864 122.018 120.200 -0.077 0.000 2.153 153 E HA -0.116 4.233 4.350 -0.000 0.000 0.194 153 E C 1.995 178.514 176.600 -0.134 0.000 0.988 153 E CA 1.602 57.946 56.400 -0.094 0.000 0.811 153 E CB -0.502 29.142 29.700 -0.094 0.000 0.746 153 E HN 0.638 nan 8.360 nan 0.000 0.466 154 V N -3.749 116.005 119.914 -0.267 0.000 3.477 154 V HA 0.259 4.379 4.120 -0.000 0.000 0.297 154 V C 0.802 176.764 176.094 -0.219 0.000 1.433 154 V CA -0.318 61.783 62.300 -0.331 0.000 1.052 154 V CB -0.294 31.194 31.823 -0.558 0.000 0.895 154 V HN 0.062 nan 8.190 nan 0.000 0.438 155 F N 0.750 120.700 119.950 -0.000 0.000 2.706 155 F HA 0.510 5.037 4.527 -0.001 0.000 0.308 155 F C 1.289 177.082 175.800 -0.011 0.000 1.095 155 F CA -1.248 56.750 58.000 -0.002 0.000 1.244 155 F CB -0.003 38.998 39.000 0.003 0.000 1.063 155 F HN 0.047 nan 8.300 nan 0.000 0.582 156 R N 1.012 121.602 120.500 0.150 0.000 2.421 156 R HA 0.376 4.716 4.340 -0.000 0.000 0.305 156 R C 0.619 176.960 176.300 0.069 0.000 1.039 156 R CA 0.749 56.896 56.100 0.078 0.000 1.003 156 R CB 0.497 30.819 30.300 0.036 0.000 0.959 156 R HN 0.186 nan 8.270 nan 0.000 0.427 157 A N 4.093 126.943 122.820 0.050 0.000 2.530 157 A HA 0.221 4.540 4.320 -0.000 0.000 0.214 157 A C -0.503 177.095 177.584 0.024 0.000 1.352 157 A CA -0.148 51.912 52.037 0.038 0.000 1.035 157 A CB 0.886 19.907 19.000 0.036 0.000 1.296 157 A HN 0.465 nan 8.150 nan 0.000 0.563 158 V N 0.225 120.152 119.914 0.022 0.000 3.102 158 V HA 0.391 4.511 4.120 -0.000 0.000 0.312 158 V C -1.634 174.477 176.094 0.029 0.000 1.135 158 V CA -0.813 61.502 62.300 0.025 0.000 1.022 158 V CB 2.044 33.884 31.823 0.028 0.000 1.056 158 V HN 0.400 nan 8.190 nan 0.000 0.436 159 D N 3.208 123.627 120.400 0.031 0.000 2.210 159 D HA 0.343 4.983 4.640 -0.000 0.000 0.249 159 D C -1.939 174.386 176.300 0.042 0.000 1.062 159 D CA -1.619 52.400 54.000 0.031 0.000 0.891 159 D CB 2.602 43.415 40.800 0.022 0.000 1.186 159 D HN 0.219 nan 8.370 nan 0.000 0.432 160 P HA -0.136 nan 4.420 nan 0.000 0.216 160 P C 0.466 177.793 177.300 0.045 0.000 1.150 160 P CA 1.548 64.682 63.100 0.056 0.000 0.843 160 P CB 0.289 32.034 31.700 0.075 0.000 0.787 161 K N -1.108 119.319 120.400 0.045 0.000 2.525 161 K HA -0.008 4.312 4.320 -0.000 0.000 0.192 161 K C 0.707 177.341 176.600 0.057 0.000 1.029 161 K CA 0.745 57.069 56.287 0.060 0.000 1.029 161 K CB -0.278 32.236 32.500 0.025 0.000 0.814 161 K HN 0.125 nan 8.250 nan 0.000 0.503 162 D N -0.163 120.269 120.400 0.053 0.000 2.395 162 D HA 0.063 4.702 4.640 -0.000 0.000 0.213 162 D C -0.503 175.860 176.300 0.105 0.000 1.110 162 D CA 0.151 54.182 54.000 0.052 0.000 0.835 162 D CB 0.697 41.517 40.800 0.034 0.000 0.965 162 D HN -0.148 nan 8.370 nan 0.000 0.505 163 V N 0.735 120.718 119.914 0.115 0.000 2.667 163 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 163 V C -0.110 176.056 176.094 0.119 0.000 1.048 163 V CA -0.692 61.672 62.300 0.107 0.000 0.928 163 V CB 2.762 34.602 31.823 0.028 0.000 1.004 163 V HN -0.244 nan 8.190 nan 0.000 0.444 164 V N 5.281 125.279 119.914 0.139 0.000 2.733 164 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 164 V C -0.722 175.473 176.094 0.169 0.000 1.084 164 V CA -0.496 61.880 62.300 0.126 0.000 0.905 164 V CB 1.966 33.906 31.823 0.195 0.000 1.010 164 V HN 0.623 nan 8.190 nan 0.000 0.424 165 L N 4.554 125.850 121.223 0.123 0.000 2.317 165 L HA 0.778 5.117 4.340 -0.000 0.000 0.281 165 L C -0.927 176.066 176.870 0.204 0.000 1.024 165 L CA -0.752 54.193 54.840 0.175 0.000 0.810 165 L CB 2.030 44.134 42.059 0.074 0.000 1.240 165 L HN 0.423 nan 8.230 nan 0.000 0.427 166 V N 1.760 121.794 119.914 0.200 0.000 2.482 166 V HA 0.633 4.753 4.120 -0.000 0.000 0.295 166 V C 0.543 176.705 176.094 0.113 0.000 1.026 166 V CA 0.050 62.447 62.300 0.161 0.000 0.856 166 V CB 1.247 33.130 31.823 0.101 0.000 1.001 166 V HN 0.998 nan 8.190 nan 0.000 0.424 167 G N 3.682 112.540 108.800 0.097 0.000 2.184 167 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.206 167 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.206 167 G C 0.138 175.067 174.900 0.049 0.000 0.995 167 G CA -0.064 45.071 45.100 0.058 0.000 0.651 167 G HN 0.761 nan 8.290 nan 0.000 0.511 168 V N 1.976 121.933 119.914 0.072 0.000 2.617 168 V HA 0.394 4.514 4.120 -0.000 0.000 0.304 168 V C 1.498 177.608 176.094 0.027 0.000 1.040 168 V CA 1.560 63.891 62.300 0.052 0.000 1.149 168 V CB 0.988 32.847 31.823 0.060 0.000 0.914 168 V HN 0.676 nan 8.190 nan 0.000 0.487 169 R N 2.519 123.015 120.500 -0.007 0.000 2.518 169 R HA 0.359 4.699 4.340 -0.000 0.000 0.419 169 R C -0.184 176.117 176.300 0.002 0.000 0.902 169 R CA -0.040 56.060 56.100 0.001 0.000 1.146 169 R CB 0.641 30.936 30.300 -0.008 0.000 1.652 169 R HN 0.509 nan 8.270 nan 0.000 0.555 170 S N 1.185 116.894 115.700 0.015 0.000 2.461 170 S HA 0.428 4.898 4.470 -0.000 0.000 0.245 170 S C -1.293 173.375 174.600 0.113 0.000 1.039 170 S CA -0.641 57.597 58.200 0.064 0.000 1.077 170 S CB 0.547 63.798 63.200 0.085 0.000 1.171 170 S HN 0.288 nan 8.310 nan 0.000 0.433 171 L N 3.022 124.295 121.223 0.084 0.000 2.333 171 L HA 0.684 5.024 4.340 -0.000 0.000 0.269 171 L C -0.268 176.645 176.870 0.073 0.000 1.010 171 L CA -1.138 53.753 54.840 0.085 0.000 0.818 171 L CB 1.577 43.667 42.059 0.053 0.000 1.306 171 L HN 0.477 nan 8.230 nan 0.000 0.430 172 D N 1.874 122.318 120.400 0.072 0.000 2.387 172 D HA 0.214 4.853 4.640 -0.000 0.000 0.251 172 D C -1.601 174.724 176.300 0.042 0.000 1.141 172 D CA -1.437 52.595 54.000 0.054 0.000 0.987 172 D CB 1.199 42.029 40.800 0.049 0.000 1.116 172 D HN 0.307 nan 8.370 nan 0.000 0.491 173 P HA 0.008 nan 4.420 nan 0.000 0.236 173 P C 1.029 178.344 177.300 0.026 0.000 1.177 173 P CA 0.529 63.643 63.100 0.024 0.000 0.773 173 P CB 0.403 32.113 31.700 0.016 0.000 0.878 174 G N 0.562 109.380 108.800 0.030 0.000 2.453 174 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.215 174 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.215 174 G C 1.504 176.438 174.900 0.056 0.000 1.147 174 G CA 0.121 45.239 45.100 0.030 0.000 0.802 174 G HN 0.221 nan 8.290 nan 0.000 0.535 175 E N 0.914 121.159 120.200 0.075 0.000 2.077 175 E HA -0.137 4.212 4.350 -0.000 0.000 0.193 175 E C 2.429 179.095 176.600 0.110 0.000 0.989 175 E CA 0.949 57.431 56.400 0.137 0.000 0.800 175 E CB -0.083 29.696 29.700 0.130 0.000 0.746 175 E HN 0.387 nan 8.360 nan 0.000 0.452 176 K N 0.847 121.280 120.400 0.054 0.000 2.020 176 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 176 K C 2.247 178.863 176.600 0.026 0.000 1.050 176 K CA 1.307 57.606 56.287 0.021 0.000 0.929 176 K CB -0.323 32.183 32.500 0.010 0.000 0.714 176 K HN 0.091 nan 8.250 nan 0.000 0.443 177 R N 1.047 121.568 120.500 0.036 0.000 2.088 177 R HA -0.129 4.210 4.340 -0.000 0.000 0.232 177 R C 2.600 178.936 176.300 0.061 0.000 1.136 177 R CA 1.623 57.744 56.100 0.034 0.000 0.926 177 R CB -0.963 29.354 30.300 0.027 0.000 0.837 177 R HN 0.139 nan 8.270 nan 0.000 0.429 178 L N 1.007 122.292 121.223 0.104 0.000 2.043 178 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 178 L C 2.609 179.636 176.870 0.263 0.000 1.075 178 L CA 1.305 56.256 54.840 0.186 0.000 0.752 178 L CB -0.600 41.583 42.059 0.206 0.000 0.891 178 L HN 0.212 nan 8.230 nan 0.000 0.432 179 L N -0.633 120.684 121.223 0.155 0.000 1.994 179 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 179 L C 2.826 179.654 176.870 -0.071 0.000 1.071 179 L CA 1.449 56.228 54.840 -0.102 0.000 0.745 179 L CB -0.519 41.422 42.059 -0.198 0.000 0.892 179 L HN 0.219 nan 8.230 nan 0.000 0.431 180 K N -0.014 120.366 120.400 -0.033 0.000 2.026 180 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 180 K C 1.996 178.593 176.600 -0.005 0.000 1.048 180 K CA 1.461 57.730 56.287 -0.030 0.000 0.929 180 K CB -0.150 32.337 32.500 -0.022 0.000 0.713 180 K HN 0.336 nan 8.250 nan 0.000 0.439 181 E N 0.375 120.588 120.200 0.021 0.000 2.048 181 E HA -0.239 4.110 4.350 -0.000 0.000 0.202 181 E C 1.978 178.600 176.600 0.037 0.000 1.021 181 E CA 1.639 58.057 56.400 0.030 0.000 0.825 181 E CB -0.150 29.576 29.700 0.043 0.000 0.756 181 E HN 0.338 nan 8.360 nan 0.000 0.454 182 A N -0.091 122.771 122.820 0.070 0.000 1.902 182 A HA 0.006 4.325 4.320 -0.000 0.000 0.217 182 A C 1.841 179.440 177.584 0.025 0.000 1.181 182 A CA 1.541 53.627 52.037 0.081 0.000 0.623 182 A CB -0.646 18.474 19.000 0.200 0.000 0.818 182 A HN 0.461 nan 8.150 nan 0.000 0.443 183 G N -1.787 107.002 108.800 -0.018 0.000 2.203 183 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.231 183 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.231 183 G C -0.113 174.755 174.900 -0.052 0.000 1.058 183 G CA -0.037 45.044 45.100 -0.032 0.000 0.781 183 G HN 0.880 nan 8.290 nan 0.000 0.496 184 V N 0.648 120.485 119.914 -0.127 0.000 2.461 184 V HA 0.499 4.619 4.120 -0.000 0.000 0.275 184 V C 1.178 177.159 176.094 -0.188 0.000 1.047 184 V CA -0.772 61.433 62.300 -0.158 0.000 0.955 184 V CB 1.394 33.025 31.823 -0.320 0.000 0.988 184 V HN 0.611 nan 8.190 nan 0.000 0.471 185 R N 4.709 125.103 120.500 -0.177 0.000 2.502 185 R HA 0.218 4.558 4.340 -0.000 0.000 0.292 185 R C -1.054 175.045 176.300 -0.335 0.000 0.998 185 R CA 0.510 56.403 56.100 -0.345 0.000 1.056 185 R CB 0.103 30.053 30.300 -0.583 0.000 0.939 185 R HN 0.450 nan 8.270 nan 0.000 0.411 186 V N 7.267 126.927 119.914 -0.422 0.000 2.482 186 V HA 0.286 4.406 4.120 -0.000 0.000 0.295 186 V C -1.254 174.610 176.094 -0.382 0.000 1.026 186 V CA -0.642 61.474 62.300 -0.305 0.000 0.856 186 V CB 1.372 33.074 31.823 -0.201 0.000 1.001 186 V HN 0.669 nan 8.190 nan 0.000 0.424 187 Y N 3.352 123.631 120.300 -0.035 0.000 2.593 187 Y HA 0.445 4.995 4.550 -0.000 0.000 0.331 187 Y C 1.248 177.151 175.900 0.005 0.000 0.986 187 Y CA -0.629 57.462 58.100 -0.016 0.000 1.262 187 Y CB 1.228 39.675 38.460 -0.020 0.000 1.098 187 Y HN 0.748 nan 8.280 nan 0.000 0.506 188 T N -1.385 113.237 114.554 0.113 0.000 2.770 188 T HA 0.102 4.452 4.350 -0.000 0.000 0.281 188 T C 1.481 176.246 174.700 0.107 0.000 0.981 188 T CA -0.806 61.351 62.100 0.094 0.000 0.955 188 T CB 0.720 69.634 68.868 0.076 0.000 1.060 188 T HN 0.449 nan 8.240 nan 0.000 0.531 189 M N 0.435 120.087 119.600 0.085 0.000 2.279 189 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 189 M C 2.131 178.481 176.300 0.083 0.000 1.062 189 M CA 1.505 56.847 55.300 0.070 0.000 1.099 189 M CB -1.703 30.928 32.600 0.052 0.000 1.394 189 M HN 0.855 nan 8.290 nan 0.000 0.426 190 H N 0.047 119.134 119.070 0.028 0.000 2.389 190 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 190 H C 1.375 176.726 175.328 0.038 0.000 1.081 190 H CA 1.721 57.784 56.048 0.025 0.000 1.345 190 H CB 0.340 30.112 29.762 0.017 0.000 1.393 190 H HN 0.288 nan 8.280 nan 0.000 0.520 191 E N 0.036 120.251 120.200 0.024 0.000 2.152 191 E HA -0.070 4.279 4.350 -0.000 0.000 0.192 191 E C 2.509 179.108 176.600 -0.001 0.000 0.983 191 E CA 0.884 57.296 56.400 0.020 0.000 0.818 191 E CB 0.103 29.917 29.700 0.190 0.000 0.758 191 E HN 0.241 nan 8.360 nan 0.000 0.467 192 V N 1.235 121.158 119.914 0.014 0.000 2.453 192 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 192 V C 1.408 177.478 176.094 -0.040 0.000 1.048 192 V CA 1.702 63.996 62.300 -0.010 0.000 1.049 192 V CB -0.335 31.491 31.823 0.005 0.000 0.672 192 V HN 0.206 nan 8.190 nan 0.000 0.457 193 D N -0.329 120.034 120.400 -0.061 0.000 2.149 193 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 193 D C 2.335 178.571 176.300 -0.107 0.000 0.972 193 D CA 0.942 54.899 54.000 -0.071 0.000 0.835 193 D CB -0.097 40.667 40.800 -0.059 0.000 0.966 193 D HN 0.284 nan 8.370 nan 0.000 0.476 194 R N 0.031 120.421 120.500 -0.183 0.000 2.100 194 R HA 0.101 4.441 4.340 -0.000 0.000 0.220 194 R C 2.011 178.261 176.300 -0.085 0.000 1.091 194 R CA 0.413 56.414 56.100 -0.165 0.000 0.986 194 R CB 0.149 30.286 30.300 -0.272 0.000 0.888 194 R HN 0.167 nan 8.270 nan 0.000 0.444 195 L N -0.746 120.438 121.223 -0.065 0.000 2.470 195 L HA 0.301 4.641 4.340 -0.000 0.000 0.219 195 L C 0.553 177.397 176.870 -0.044 0.000 1.071 195 L CA 0.368 55.184 54.840 -0.038 0.000 0.850 195 L CB 0.293 42.341 42.059 -0.017 0.000 1.040 195 L HN 0.377 nan 8.230 nan 0.000 0.475 196 G N -0.085 108.687 108.800 -0.047 0.000 2.999 196 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 196 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 196 G C 0.339 175.204 174.900 -0.058 0.000 1.057 196 G CA -0.351 44.724 45.100 -0.042 0.000 0.784 196 G HN -0.176 nan 8.290 nan 0.000 0.575 197 V N 2.550 122.433 119.914 -0.051 0.000 2.313 197 V HA -0.273 3.847 4.120 -0.000 0.000 0.253 197 V C 3.445 179.493 176.094 -0.077 0.000 1.070 197 V CA 3.677 65.937 62.300 -0.066 0.000 1.057 197 V CB -1.386 30.410 31.823 -0.044 0.000 0.653 197 V HN 1.912 nan 8.190 nan 0.000 0.450 198 A N -0.040 122.749 122.820 -0.052 0.000 1.859 198 A HA -0.371 3.949 4.320 -0.000 0.000 0.218 198 A C 2.334 179.877 177.584 -0.068 0.000 1.209 198 A CA 2.751 54.760 52.037 -0.048 0.000 0.639 198 A CB -0.715 18.268 19.000 -0.030 0.000 0.835 198 A HN 0.512 nan 8.150 nan 0.000 0.450 199 R N -0.760 119.697 120.500 -0.072 0.000 2.091 199 R HA -0.144 4.195 4.340 -0.000 0.000 0.238 199 R C 1.884 178.093 176.300 -0.152 0.000 1.136 199 R CA 1.923 57.974 56.100 -0.082 0.000 0.959 199 R CB -0.535 29.729 30.300 -0.060 0.000 0.856 199 R HN 0.506 nan 8.270 nan 0.000 0.437 200 I N 0.625 121.052 120.570 -0.238 0.000 2.142 200 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 200 I C 2.419 178.330 176.117 -0.344 0.000 1.078 200 I CA 1.710 62.718 61.300 -0.486 0.000 1.343 200 I CB -0.607 37.063 38.000 -0.550 0.000 1.046 200 I HN 0.286 nan 8.210 nan 0.000 0.405 201 A N 0.230 122.932 122.820 -0.197 0.000 1.927 201 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 201 A C 2.221 179.757 177.584 -0.081 0.000 1.185 201 A CA 2.171 54.139 52.037 -0.115 0.000 0.639 201 A CB -0.731 18.226 19.000 -0.071 0.000 0.820 201 A HN 0.579 nan 8.150 nan 0.000 0.451 202 E N -0.649 119.505 120.200 -0.076 0.000 2.107 202 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 202 E C 1.927 178.513 176.600 -0.023 0.000 0.982 202 E CA 1.037 57.415 56.400 -0.036 0.000 0.809 202 E CB -0.261 29.423 29.700 -0.027 0.000 0.756 202 E HN 0.780 nan 8.360 nan 0.000 0.459 203 E N 0.887 121.046 120.200 -0.068 0.000 2.110 203 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 203 E C 2.215 178.850 176.600 0.058 0.000 0.988 203 E CA 0.898 57.292 56.400 -0.010 0.000 0.804 203 E CB 0.125 29.792 29.700 -0.056 0.000 0.745 203 E HN 0.009 nan 8.360 nan 0.000 0.458 204 V N 1.318 121.221 119.914 -0.019 0.000 2.295 204 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 204 V C 2.328 178.498 176.094 0.128 0.000 1.049 204 V CA 1.493 63.846 62.300 0.089 0.000 1.024 204 V CB -0.457 31.383 31.823 0.029 0.000 0.648 204 V HN 0.316 nan 8.190 nan 0.000 0.447 205 L N -0.032 121.231 121.223 0.067 0.000 1.971 205 L HA -0.298 4.042 4.340 -0.000 0.000 0.215 205 L C 2.644 179.560 176.870 0.077 0.000 1.072 205 L CA 2.591 57.469 54.840 0.063 0.000 0.758 205 L CB -0.743 41.336 42.059 0.033 0.000 0.889 205 L HN 0.374 nan 8.230 nan 0.000 0.433 206 K N -0.469 119.979 120.400 0.080 0.000 2.032 206 K HA -0.300 4.020 4.320 -0.000 0.000 0.209 206 K C 2.173 178.835 176.600 0.103 0.000 1.048 206 K CA 1.954 58.289 56.287 0.079 0.000 0.927 206 K CB -0.312 32.234 32.500 0.077 0.000 0.712 206 K HN 0.264 nan 8.250 nan 0.000 0.441 207 H N 0.023 119.128 119.070 0.060 0.000 2.460 207 H HA -0.039 4.517 4.556 -0.000 0.000 0.297 207 H C 0.654 176.017 175.328 0.057 0.000 1.103 207 H CA 1.673 57.762 56.048 0.068 0.000 1.292 207 H CB 0.139 29.964 29.762 0.106 0.000 1.376 207 H HN 0.202 nan 8.280 nan 0.000 0.531 208 L N 1.888 123.151 121.223 0.066 0.000 3.218 208 L HA 0.153 4.493 4.340 -0.000 0.000 0.279 208 L C -0.044 176.839 176.870 0.021 0.000 1.287 208 L CA -0.434 54.417 54.840 0.019 0.000 1.024 208 L CB 0.179 42.290 42.059 0.087 0.000 1.409 208 L HN 0.331 nan 8.230 nan 0.000 0.580 209 Q N 0.046 119.852 119.800 0.011 0.000 2.315 209 Q HA 0.228 4.568 4.340 -0.000 0.000 0.289 209 Q C 1.046 177.052 176.000 0.010 0.000 1.044 209 Q CA 0.827 56.639 55.803 0.016 0.000 0.920 209 Q CB 0.668 29.414 28.738 0.014 0.000 1.214 209 Q HN 0.367 nan 8.270 nan 0.000 0.392 210 G N 2.200 111.011 108.800 0.018 0.000 2.284 210 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.247 210 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.247 210 G C 0.063 174.977 174.900 0.023 0.000 1.012 210 G CA 0.232 45.343 45.100 0.018 0.000 0.618 210 G HN 0.561 nan 8.290 nan 0.000 0.521 211 L N 1.781 123.020 121.223 0.027 0.000 2.375 211 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 211 L C -1.926 174.972 176.870 0.047 0.000 1.107 211 L CA -2.235 52.626 54.840 0.034 0.000 0.806 211 L CB 0.887 42.966 42.059 0.034 0.000 1.146 211 L HN -0.084 nan 8.230 nan 0.000 0.447 212 P HA 0.254 nan 4.420 nan 0.000 0.272 212 P C -1.033 176.312 177.300 0.075 0.000 1.223 212 P CA -0.135 63.001 63.100 0.059 0.000 0.784 212 P CB 0.634 32.365 31.700 0.051 0.000 0.923 213 L N 2.238 123.513 121.223 0.087 0.000 2.346 213 L HA 0.489 4.829 4.340 -0.000 0.000 0.274 213 L C 0.151 177.095 176.870 0.123 0.000 1.007 213 L CA -0.747 54.159 54.840 0.111 0.000 0.818 213 L CB 1.652 43.771 42.059 0.101 0.000 1.284 213 L HN 0.491 nan 8.230 nan 0.000 0.424 214 H N 2.719 121.819 119.070 0.049 0.000 2.589 214 H HA 0.497 5.053 4.556 -0.000 0.000 0.335 214 H C -1.695 173.667 175.328 0.057 0.000 1.019 214 H CA -0.462 55.602 56.048 0.027 0.000 1.213 214 H CB 1.935 31.712 29.762 0.025 0.000 1.472 214 H HN 0.273 nan 8.280 nan 0.000 0.508 215 V N 4.360 124.204 119.914 -0.116 0.000 2.398 215 V HA 0.212 4.331 4.120 -0.000 0.000 0.286 215 V C 0.422 176.463 176.094 -0.089 0.000 1.026 215 V CA -0.591 61.706 62.300 -0.005 0.000 0.868 215 V CB 1.429 33.230 31.823 -0.036 0.000 0.982 215 V HN 0.771 nan 8.190 nan 0.000 0.443 216 S N 4.737 120.439 115.700 0.004 0.000 2.456 216 S HA 0.662 5.132 4.470 -0.000 0.000 0.316 216 S C -0.929 173.474 174.600 -0.328 0.000 1.089 216 S CA -0.481 57.613 58.200 -0.177 0.000 1.101 216 S CB 0.795 63.722 63.200 -0.455 0.000 0.995 216 S HN 0.556 nan 8.310 nan 0.000 0.468 217 L N 5.485 126.529 121.223 -0.298 0.000 2.294 217 L HA 0.538 4.878 4.340 -0.000 0.000 0.283 217 L C -0.555 176.109 176.870 -0.343 0.000 1.015 217 L CA -0.224 54.449 54.840 -0.277 0.000 0.831 217 L CB 1.320 43.263 42.059 -0.192 0.000 1.217 217 L HN 0.576 nan 8.230 nan 0.000 0.420 218 D N 3.294 123.489 120.400 -0.342 0.000 2.225 218 D HA 0.295 4.935 4.640 -0.000 0.000 0.248 218 D C 0.760 176.959 176.300 -0.168 0.000 1.096 218 D CA 0.291 54.094 54.000 -0.328 0.000 0.863 218 D CB 2.321 43.011 40.800 -0.183 0.000 1.156 218 D HN 0.705 nan 8.370 nan 0.000 0.450 219 A N 3.660 126.393 122.820 -0.144 0.000 2.015 219 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 219 A C 1.414 178.969 177.584 -0.049 0.000 1.163 219 A CA 1.504 53.487 52.037 -0.090 0.000 0.646 219 A CB -0.318 18.637 19.000 -0.075 0.000 0.806 219 A HN 0.693 nan 8.150 nan 0.000 0.448 220 D N -0.396 119.993 120.400 -0.018 0.000 2.403 220 D HA -0.071 4.569 4.640 -0.000 0.000 0.227 220 D C 1.114 177.400 176.300 -0.023 0.000 0.995 220 D CA 0.931 54.941 54.000 0.016 0.000 0.928 220 D CB -0.488 40.384 40.800 0.120 0.000 0.887 220 D HN 0.207 nan 8.370 nan 0.000 0.529 221 V N -0.518 119.375 119.914 -0.035 0.000 3.174 221 V HA 0.173 4.293 4.120 -0.000 0.000 0.254 221 V C 0.808 176.882 176.094 -0.033 0.000 1.120 221 V CA 0.096 62.373 62.300 -0.038 0.000 1.114 221 V CB -0.148 31.653 31.823 -0.036 0.000 0.756 221 V HN 0.158 nan 8.190 nan 0.000 0.467 222 L N 1.219 122.423 121.223 -0.033 0.000 2.395 222 L HA 0.316 4.656 4.340 -0.000 0.000 0.269 222 L C 0.214 177.083 176.870 -0.003 0.000 1.133 222 L CA -0.216 54.612 54.840 -0.019 0.000 0.812 222 L CB 0.470 42.518 42.059 -0.018 0.000 1.125 222 L HN 0.170 nan 8.230 nan 0.000 0.452 223 D N 2.477 122.883 120.400 0.010 0.000 2.488 223 D HA 0.002 4.642 4.640 -0.000 0.000 0.238 223 D C -1.655 174.654 176.300 0.016 0.000 1.138 223 D CA -0.851 53.157 54.000 0.013 0.000 0.873 223 D CB 1.073 41.885 40.800 0.020 0.000 1.183 223 D HN 0.222 nan 8.370 nan 0.000 0.458 224 P HA -0.160 nan 4.420 nan 0.000 0.220 224 P C 1.145 178.455 177.300 0.017 0.000 1.144 224 P CA 0.968 64.078 63.100 0.016 0.000 0.800 224 P CB 0.119 31.830 31.700 0.018 0.000 0.772 225 T N -1.277 113.288 114.554 0.018 0.000 2.962 225 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 225 T C 1.215 175.926 174.700 0.019 0.000 1.088 225 T CA 0.940 63.049 62.100 0.016 0.000 1.127 225 T CB -0.462 68.415 68.868 0.015 0.000 0.883 225 T HN 0.090 nan 8.240 nan 0.000 0.493 226 L N -1.377 119.863 121.223 0.028 0.000 3.086 226 L HA 0.723 5.062 4.340 -0.000 0.000 0.274 226 L C 0.288 177.185 176.870 0.044 0.000 1.184 226 L CA -0.184 54.680 54.840 0.040 0.000 1.002 226 L CB 0.706 42.804 42.059 0.064 0.000 1.383 226 L HN -0.022 nan 8.230 nan 0.000 0.582 227 A N 0.125 122.963 122.820 0.029 0.000 3.127 227 A HA 0.658 4.978 4.320 -0.000 0.000 0.319 227 A C -2.359 175.233 177.584 0.013 0.000 1.104 227 A CA -0.671 51.378 52.037 0.020 0.000 0.802 227 A CB 0.275 19.281 19.000 0.011 0.000 1.193 227 A HN 0.147 nan 8.150 nan 0.000 0.479 228 P HA -0.034 nan 4.420 nan 0.000 0.216 228 P C 1.242 178.546 177.300 0.008 0.000 1.153 228 P CA 1.438 64.545 63.100 0.011 0.000 0.844 228 P CB 0.274 31.979 31.700 0.009 0.000 0.787 229 G N 0.777 109.579 108.800 0.003 0.000 2.924 229 G HA2 0.359 4.319 3.960 -0.000 0.000 0.273 229 G HA3 0.359 4.319 3.960 -0.000 0.000 0.273 229 G C -0.179 174.716 174.900 -0.008 0.000 0.734 229 G CA 0.010 45.108 45.100 -0.003 0.000 2.065 229 G HN 0.231 nan 8.290 nan 0.000 0.580 230 V N -0.799 119.115 119.914 -0.000 0.000 2.971 230 V HA 0.840 4.959 4.120 -0.000 0.000 0.309 230 V C 1.124 177.224 176.094 0.010 0.000 1.130 230 V CA -0.193 62.107 62.300 0.001 0.000 0.964 230 V CB 1.283 33.117 31.823 0.017 0.000 1.029 230 V HN 0.398 nan 8.190 nan 0.000 0.427 231 G N 2.222 111.020 108.800 -0.003 0.000 2.545 231 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 231 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 231 G C 0.650 175.573 174.900 0.039 0.000 1.218 231 G CA 1.469 46.564 45.100 -0.008 0.000 0.787 231 G HN 1.081 nan 8.290 nan 0.000 0.571 232 T N 2.900 117.510 114.554 0.093 0.000 3.375 232 T HA 0.450 4.800 4.350 -0.000 0.000 0.363 232 T C -2.569 172.241 174.700 0.184 0.000 1.837 232 T CA -1.124 61.066 62.100 0.151 0.000 1.445 232 T CB 1.599 70.572 68.868 0.175 0.000 1.089 232 T HN 0.192 nan 8.240 nan 0.000 0.722 233 P HA 0.187 nan 4.420 nan 0.000 0.266 233 P C -0.730 176.613 177.300 0.071 0.000 1.193 233 P CA -0.134 63.009 63.100 0.072 0.000 0.770 233 P CB 0.912 32.639 31.700 0.046 0.000 0.836 234 V N 4.445 124.381 119.914 0.036 0.000 2.567 234 V HA 0.268 4.388 4.120 -0.000 0.000 0.298 234 V C -1.994 174.105 176.094 0.009 0.000 1.047 234 V CA -1.776 60.537 62.300 0.022 0.000 0.880 234 V CB 1.941 33.752 31.823 -0.019 0.000 1.009 234 V HN 0.582 nan 8.190 nan 0.000 0.429 235 P HA 0.202 nan 4.420 nan 0.000 0.271 235 P C 0.643 177.950 177.300 0.011 0.000 1.244 235 P CA 1.037 64.146 63.100 0.015 0.000 0.793 235 P CB 0.845 32.556 31.700 0.018 0.000 0.984 236 G N -0.524 108.284 108.800 0.013 0.000 2.248 236 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.252 236 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.252 236 G C 0.382 175.289 174.900 0.011 0.000 1.085 236 G CA -0.234 44.875 45.100 0.015 0.000 0.845 236 G HN 0.868 nan 8.290 nan 0.000 0.494 237 G N -1.231 107.574 108.800 0.008 0.000 2.531 237 G HA2 0.703 4.663 3.960 -0.000 0.000 0.313 237 G HA3 0.703 4.663 3.960 -0.000 0.000 0.313 237 G C 0.566 175.471 174.900 0.008 0.000 1.238 237 G CA -1.153 43.949 45.100 0.003 0.000 0.994 237 G HN 0.676 nan 8.290 nan 0.000 0.493 238 L N 0.546 121.769 121.223 0.001 0.000 2.506 238 L HA 0.177 4.517 4.340 -0.000 0.000 0.281 238 L C 1.541 178.422 176.870 0.019 0.000 1.228 238 L CA -0.211 54.630 54.840 0.002 0.000 0.850 238 L CB 0.369 42.416 42.059 -0.019 0.000 1.110 238 L HN 0.714 nan 8.230 nan 0.000 0.496 239 T N -1.442 113.133 114.554 0.035 0.000 2.847 239 T HA 0.081 4.431 4.350 -0.000 0.000 0.279 239 T C 0.825 175.596 174.700 0.118 0.000 0.984 239 T CA -0.398 61.748 62.100 0.077 0.000 0.988 239 T CB 0.680 69.595 68.868 0.079 0.000 1.040 239 T HN 0.554 nan 8.240 nan 0.000 0.528 240 Y N 1.228 121.539 120.300 0.018 0.000 2.207 240 Y HA -0.139 4.411 4.550 -0.000 0.000 0.287 240 Y C 2.750 178.717 175.900 0.112 0.000 1.156 240 Y CA 1.387 59.517 58.100 0.049 0.000 1.182 240 Y CB -0.064 38.440 38.460 0.074 0.000 0.979 240 Y HN 0.590 nan 8.280 nan 0.000 0.521 241 R N 0.196 120.913 120.500 0.362 0.000 2.062 241 R HA -0.116 4.223 4.340 -0.000 0.000 0.229 241 R C 2.220 178.582 176.300 0.104 0.000 1.128 241 R CA 1.697 57.947 56.100 0.251 0.000 0.960 241 R CB -0.261 30.157 30.300 0.197 0.000 0.855 241 R HN 0.469 nan 8.270 nan 0.000 0.432 242 E N 0.601 120.838 120.200 0.062 0.000 2.070 242 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 242 E C 2.041 178.619 176.600 -0.037 0.000 1.004 242 E CA 1.395 57.801 56.400 0.011 0.000 0.805 242 E CB -0.202 29.500 29.700 0.003 0.000 0.744 242 E HN 0.371 nan 8.360 nan 0.000 0.451 243 A N 1.765 124.531 122.820 -0.090 0.000 1.851 243 A HA -0.246 4.073 4.320 -0.000 0.000 0.216 243 A C 1.991 179.433 177.584 -0.236 0.000 1.195 243 A CA 1.686 53.608 52.037 -0.191 0.000 0.622 243 A CB -0.891 17.933 19.000 -0.293 0.000 0.831 243 A HN 0.280 nan 8.150 nan 0.000 0.444 244 H N -1.030 117.934 119.070 -0.176 0.000 2.319 244 H HA -0.159 4.397 4.556 -0.001 0.000 0.297 244 H C 2.144 177.420 175.328 -0.086 0.000 1.097 244 H CA 1.958 57.910 56.048 -0.160 0.000 1.285 244 H CB -0.666 28.975 29.762 -0.203 0.000 1.368 244 H HN 0.389 nan 8.280 nan 0.000 0.495 245 L N 0.963 122.217 121.223 0.053 0.000 1.971 245 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 245 L C 2.560 179.426 176.870 -0.007 0.000 1.072 245 L CA 1.393 56.247 54.840 0.024 0.000 0.758 245 L CB -1.168 40.900 42.059 0.016 0.000 0.889 245 L HN 0.174 nan 8.230 nan 0.000 0.433 246 L N -0.908 120.295 121.223 -0.033 0.000 2.021 246 L HA -0.277 4.063 4.340 -0.000 0.000 0.215 246 L C 2.373 179.219 176.870 -0.040 0.000 1.074 246 L CA 2.154 56.967 54.840 -0.045 0.000 0.760 246 L CB -0.612 41.411 42.059 -0.060 0.000 0.889 246 L HN 0.328 nan 8.230 nan 0.000 0.433 247 M N -0.928 118.640 119.600 -0.053 0.000 2.175 247 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 247 M C 2.140 178.431 176.300 -0.014 0.000 1.063 247 M CA 1.481 56.754 55.300 -0.045 0.000 1.119 247 M CB -1.128 31.427 32.600 -0.076 0.000 1.377 247 M HN 0.403 nan 8.290 nan 0.000 0.415 248 E N 0.137 120.339 120.200 0.004 0.000 2.072 248 E HA -0.113 4.236 4.350 -0.000 0.000 0.190 248 E C 2.093 178.695 176.600 0.004 0.000 0.982 248 E CA 0.764 57.171 56.400 0.012 0.000 0.803 248 E CB 0.028 29.743 29.700 0.025 0.000 0.755 248 E HN 0.299 nan 8.360 nan 0.000 0.453 249 I N 1.351 121.920 120.570 -0.002 0.000 2.208 249 I HA -0.258 3.911 4.170 -0.000 0.000 0.245 249 I C 2.405 178.521 176.117 -0.001 0.000 1.097 249 I CA 1.403 62.700 61.300 -0.005 0.000 1.363 249 I CB -0.883 37.109 38.000 -0.014 0.000 1.051 249 I HN 0.178 nan 8.210 nan 0.000 0.413 250 L N 0.387 121.610 121.223 -0.000 0.000 2.056 250 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 250 L C 2.797 179.677 176.870 0.017 0.000 1.078 250 L CA 1.223 56.070 54.840 0.011 0.000 0.749 250 L CB -0.716 41.350 42.059 0.013 0.000 0.901 250 L HN 0.168 nan 8.230 nan 0.000 0.433 251 A N -0.137 122.688 122.820 0.009 0.000 1.908 251 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 251 A C 2.161 179.752 177.584 0.013 0.000 1.181 251 A CA 1.741 53.784 52.037 0.009 0.000 0.627 251 A CB -0.557 18.443 19.000 -0.000 0.000 0.818 251 A HN 0.455 nan 8.150 nan 0.000 0.445 252 E N 0.301 120.506 120.200 0.008 0.000 2.510 252 E HA -0.116 4.234 4.350 -0.000 0.000 0.202 252 E C 1.605 178.210 176.600 0.009 0.000 1.072 252 E CA 0.925 57.328 56.400 0.005 0.000 0.883 252 E CB -0.073 29.626 29.700 -0.000 0.000 0.818 252 E HN 0.784 nan 8.360 nan 0.000 0.548 253 S N -1.901 113.809 115.700 0.017 0.000 2.511 253 S HA 0.169 4.639 4.470 -0.000 0.000 0.214 253 S C 1.616 176.233 174.600 0.029 0.000 0.997 253 S CA 0.345 58.558 58.200 0.022 0.000 0.908 253 S CB 0.530 63.747 63.200 0.028 0.000 0.803 253 S HN 0.327 nan 8.310 nan 0.000 0.504 254 G N 2.117 110.937 108.800 0.034 0.000 2.187 254 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.261 254 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.261 254 G C 0.761 175.698 174.900 0.062 0.000 1.000 254 G CA 0.655 45.782 45.100 0.045 0.000 0.718 254 G HN 0.584 nan 8.290 nan 0.000 0.519 255 R N -0.949 119.589 120.500 0.065 0.000 2.397 255 R HA 0.268 4.608 4.340 -0.000 0.000 0.241 255 R C 0.692 177.051 176.300 0.098 0.000 0.914 255 R CA -0.063 56.082 56.100 0.073 0.000 1.071 255 R CB 0.898 31.234 30.300 0.060 0.000 1.116 255 R HN 0.311 nan 8.270 nan 0.000 0.524 256 V N 2.876 122.863 119.914 0.122 0.000 2.470 256 V HA -0.036 4.084 4.120 -0.000 0.000 0.276 256 V C 1.123 177.389 176.094 0.288 0.000 1.040 256 V CA 0.390 62.793 62.300 0.172 0.000 1.008 256 V CB 1.226 33.152 31.823 0.172 0.000 0.990 256 V HN 0.394 nan 8.190 nan 0.000 0.477 257 Q N 3.283 123.161 119.800 0.130 0.000 2.214 257 Q HA 0.332 4.672 4.340 -0.000 0.000 0.229 257 Q C 0.202 175.755 176.000 -0.745 0.000 0.835 257 Q CA -0.002 55.765 55.803 -0.061 0.000 0.953 257 Q CB 0.982 29.697 28.738 -0.038 0.000 1.131 257 Q HN 0.695 nan 8.270 nan 0.000 0.501 258 S N 0.134 115.431 115.700 -0.671 0.000 2.552 258 S HA 0.678 5.148 4.470 -0.000 0.000 0.272 258 S C -1.671 172.516 174.600 -0.689 0.000 1.150 258 S CA -1.005 56.651 58.200 -0.905 0.000 0.849 258 S CB 1.864 64.804 63.200 -0.433 0.000 1.113 258 S HN 0.282 nan 8.310 nan 0.000 0.458 259 L N 0.779 121.700 121.223 -0.503 0.000 2.482 259 L HA 0.734 5.074 4.340 -0.000 0.000 0.263 259 L C -2.209 174.536 176.870 -0.208 0.000 0.957 259 L CA -0.235 54.410 54.840 -0.326 0.000 0.836 259 L CB 2.038 44.087 42.059 -0.017 0.000 1.324 259 L HN 0.784 nan 8.230 nan 0.000 0.406 260 D N 6.030 126.329 120.400 -0.169 0.000 2.308 260 D HA 0.448 5.088 4.640 -0.000 0.000 0.242 260 D C -0.711 175.507 176.300 -0.137 0.000 1.059 260 D CA 0.085 54.032 54.000 -0.088 0.000 0.830 260 D CB 2.470 43.253 40.800 -0.028 0.000 1.161 260 D HN 0.495 nan 8.370 nan 0.000 0.494 261 L N 2.275 123.427 121.223 -0.118 0.000 2.301 261 L HA 0.372 4.712 4.340 -0.000 0.000 0.278 261 L C 0.088 176.872 176.870 -0.144 0.000 1.022 261 L CA -0.911 53.849 54.840 -0.133 0.000 0.854 261 L CB 1.180 43.183 42.059 -0.094 0.000 1.226 261 L HN 0.180 nan 8.230 nan 0.000 0.429 262 V N -0.658 119.126 119.914 -0.217 0.000 3.046 262 V HA 0.656 4.775 4.120 -0.000 0.000 0.316 262 V C 0.282 176.247 176.094 -0.215 0.000 1.104 262 V CA -0.481 61.686 62.300 -0.221 0.000 1.006 262 V CB 1.988 33.622 31.823 -0.315 0.000 1.058 262 V HN 0.780 nan 8.190 nan 0.000 0.440 263 E N -0.794 119.311 120.200 -0.158 0.000 4.047 263 E HA -0.138 4.212 4.350 -0.000 0.000 0.340 263 E C 0.018 176.568 176.600 -0.082 0.000 0.720 263 E CA 0.878 57.205 56.400 -0.123 0.000 1.320 263 E CB -1.537 28.082 29.700 -0.134 0.000 1.685 263 E HN 0.770 nan 8.360 nan 0.000 0.416 264 V N 2.390 122.261 119.914 -0.072 0.000 2.521 264 V HA 0.114 4.234 4.120 -0.000 0.000 0.286 264 V C 0.839 176.910 176.094 -0.039 0.000 1.034 264 V CA 0.121 62.392 62.300 -0.047 0.000 1.045 264 V CB 1.037 32.838 31.823 -0.036 0.000 0.974 264 V HN 0.136 nan 8.190 nan 0.000 0.480 265 N N 7.783 126.464 118.700 -0.031 0.000 2.626 265 N HA 0.306 5.045 4.740 -0.000 0.000 0.242 265 N C -1.609 173.888 175.510 -0.020 0.000 1.005 265 N CA -1.930 51.103 53.050 -0.027 0.000 0.905 265 N CB 2.291 40.762 38.487 -0.026 0.000 1.128 265 N HN 0.285 nan 8.380 nan 0.000 0.512 266 P HA -0.101 nan 4.420 nan 0.000 0.221 266 P C 1.496 178.783 177.300 -0.022 0.000 1.145 266 P CA 0.583 63.670 63.100 -0.022 0.000 0.795 266 P CB 0.701 32.383 31.700 -0.030 0.000 0.775 267 I N -0.204 120.354 120.570 -0.020 0.000 2.179 267 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 267 I C 2.246 178.356 176.117 -0.011 0.000 1.088 267 I CA 1.557 62.847 61.300 -0.017 0.000 1.357 267 I CB -1.078 36.914 38.000 -0.014 0.000 1.051 267 I HN -0.148 nan 8.210 nan 0.000 0.409 268 L N -0.376 120.842 121.223 -0.009 0.000 2.612 268 L HA 0.110 4.450 4.340 -0.000 0.000 0.230 268 L C 0.264 177.132 176.870 -0.003 0.000 1.140 268 L CA -0.136 54.702 54.840 -0.004 0.000 0.896 268 L CB -0.579 41.479 42.059 -0.000 0.000 1.065 268 L HN 0.142 nan 8.230 nan 0.000 0.447 269 D N 1.060 121.456 120.400 -0.006 0.000 2.326 269 D HA 0.184 4.823 4.640 -0.000 0.000 0.251 269 D C -0.333 175.965 176.300 -0.004 0.000 1.023 269 D CA -0.474 53.525 54.000 -0.003 0.000 0.966 269 D CB 1.140 41.938 40.800 -0.004 0.000 1.156 269 D HN 0.129 nan 8.370 nan 0.000 0.494 270 E N 1.933 122.133 120.200 -0.000 0.000 2.149 270 E HA 0.413 4.763 4.350 -0.000 0.000 0.255 270 E C -0.322 176.279 176.600 0.001 0.000 0.888 270 E CA -0.732 55.667 56.400 -0.001 0.000 0.742 270 E CB 1.197 30.897 29.700 0.001 0.000 1.164 270 E HN 0.515 nan 8.360 nan 0.000 0.422 271 R N 2.062 122.561 120.500 -0.003 0.000 3.774 271 R HA -0.224 4.116 4.340 -0.000 0.000 0.320 271 R C -0.090 176.213 176.300 0.005 0.000 1.175 271 R CA 0.614 56.713 56.100 -0.001 0.000 0.849 271 R CB -2.320 27.982 30.300 0.002 0.000 1.365 271 R HN 0.847 nan 8.270 nan 0.000 0.502 272 N N 0.380 119.082 118.700 0.003 0.000 2.721 272 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 272 N C 0.933 176.456 175.510 0.022 0.000 1.072 272 N CA 1.685 54.741 53.050 0.010 0.000 0.710 272 N CB -0.226 38.270 38.487 0.015 0.000 0.993 272 N HN 0.744 nan 8.380 nan 0.000 0.547 273 R N -3.113 117.400 120.500 0.021 0.000 2.246 273 R HA 0.154 4.494 4.340 -0.000 0.000 0.199 273 R C 1.289 177.612 176.300 0.039 0.000 0.984 273 R CA 1.201 57.321 56.100 0.034 0.000 1.015 273 R CB -0.292 30.028 30.300 0.033 0.000 0.930 273 R HN 0.150 nan 8.270 nan 0.000 0.475 274 T N 0.875 115.443 114.554 0.023 0.000 2.942 274 T HA 0.087 4.437 4.350 -0.000 0.000 0.265 274 T C 1.974 176.678 174.700 0.005 0.000 1.062 274 T CA 1.119 63.227 62.100 0.014 0.000 1.139 274 T CB 0.069 68.938 68.868 0.001 0.000 0.883 274 T HN 0.456 nan 8.240 nan 0.000 0.468 275 A N 1.864 124.690 122.820 0.010 0.000 1.929 275 A HA -0.051 4.268 4.320 -0.000 0.000 0.216 275 A C 2.163 179.757 177.584 0.017 0.000 1.176 275 A CA 1.094 53.136 52.037 0.009 0.000 0.628 275 A CB -0.351 18.662 19.000 0.023 0.000 0.816 275 A HN 0.533 nan 8.150 nan 0.000 0.444 276 E N -0.496 119.724 120.200 0.034 0.000 2.150 276 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 276 E C 1.963 178.597 176.600 0.057 0.000 0.985 276 E CA 0.991 57.420 56.400 0.048 0.000 0.814 276 E CB -0.283 29.454 29.700 0.061 0.000 0.752 276 E HN 0.472 nan 8.360 nan 0.000 0.466 277 M N 0.320 119.953 119.600 0.055 0.000 2.080 277 M HA -0.167 4.312 4.480 -0.000 0.000 0.260 277 M C 2.253 178.529 176.300 -0.040 0.000 1.068 277 M CA 1.286 56.612 55.300 0.043 0.000 1.109 277 M CB -0.540 32.077 32.600 0.029 0.000 1.342 277 M HN 0.160 nan 8.290 nan 0.000 0.405 278 L N -0.877 120.318 121.223 -0.045 0.000 2.131 278 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 278 L C 2.435 179.270 176.870 -0.058 0.000 1.087 278 L CA 0.884 55.678 54.840 -0.078 0.000 0.767 278 L CB -1.026 40.986 42.059 -0.077 0.000 0.917 278 L HN 0.024 nan 8.230 nan 0.000 0.441 279 V N -0.170 119.729 119.914 -0.025 0.000 2.332 279 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 279 V C 2.515 178.605 176.094 -0.007 0.000 1.055 279 V CA 1.946 64.235 62.300 -0.018 0.000 1.038 279 V CB -1.361 30.461 31.823 -0.001 0.000 0.651 279 V HN 0.572 nan 8.190 nan 0.000 0.450 280 G N -0.662 108.151 108.800 0.023 0.000 2.408 280 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 280 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 280 G C 1.589 176.545 174.900 0.094 0.000 1.150 280 G CA 0.682 45.833 45.100 0.085 0.000 0.776 280 G HN 0.454 nan 8.290 nan 0.000 0.542 281 L N 0.514 121.698 121.223 -0.065 0.000 2.056 281 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 281 L C 3.422 180.233 176.870 -0.099 0.000 1.078 281 L CA 0.934 55.658 54.840 -0.195 0.000 0.749 281 L CB -0.413 41.478 42.059 -0.280 0.000 0.901 281 L HN 0.316 nan 8.230 nan 0.000 0.433 282 A N 0.487 123.258 122.820 -0.082 0.000 1.851 282 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 282 A C 2.205 179.740 177.584 -0.083 0.000 1.195 282 A CA 1.593 53.578 52.037 -0.086 0.000 0.622 282 A CB -0.919 18.032 19.000 -0.082 0.000 0.831 282 A HN 0.357 nan 8.150 nan 0.000 0.444 283 L N -0.263 120.932 121.223 -0.047 0.000 2.089 283 L HA -0.241 4.098 4.340 -0.000 0.000 0.213 283 L C 2.748 179.615 176.870 -0.005 0.000 1.079 283 L CA 1.672 56.498 54.840 -0.024 0.000 0.758 283 L CB -0.524 41.541 42.059 0.009 0.000 0.891 283 L HN 0.356 nan 8.230 nan 0.000 0.433 284 S N -0.395 115.316 115.700 0.018 0.000 2.414 284 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 284 S C 1.769 176.366 174.600 -0.005 0.000 1.022 284 S CA 0.588 58.810 58.200 0.036 0.000 0.958 284 S CB -0.109 63.171 63.200 0.134 0.000 0.797 284 S HN 0.250 nan 8.310 nan 0.000 0.493 285 L N 0.979 122.177 121.223 -0.042 0.000 2.141 285 L HA 0.149 4.488 4.340 -0.000 0.000 0.209 285 L C 0.920 177.734 176.870 -0.092 0.000 1.094 285 L CA 1.535 56.340 54.840 -0.057 0.000 0.763 285 L CB -0.322 41.698 42.059 -0.065 0.000 0.908 285 L HN 0.174 nan 8.230 nan 0.000 0.437 286 L N -0.033 121.108 121.223 -0.135 0.000 2.783 286 L HA 0.439 4.779 4.340 -0.000 0.000 0.236 286 L C 1.374 178.258 176.870 0.023 0.000 1.225 286 L CA 0.709 55.443 54.840 -0.177 0.000 1.026 286 L CB -0.150 41.666 42.059 -0.406 0.000 1.314 286 L HN 0.388 nan 8.230 nan 0.000 0.489 287 G N -1.188 107.620 108.800 0.013 0.000 2.376 287 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.208 287 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.208 287 G C 0.659 175.573 174.900 0.024 0.000 1.032 287 G CA -0.135 44.983 45.100 0.030 0.000 0.641 287 G HN 0.283 nan 8.290 nan 0.000 0.503 288 K N 1.629 122.048 120.400 0.032 0.000 2.473 288 K HA 0.277 4.597 4.320 -0.000 0.000 0.277 288 K C 0.440 177.051 176.600 0.017 0.000 1.052 288 K CA 0.573 56.873 56.287 0.022 0.000 1.114 288 K CB 0.071 32.583 32.500 0.020 0.000 0.869 288 K HN 0.456 nan 8.250 nan 0.000 0.481 289 R N 3.361 123.874 120.500 0.021 0.000 2.854 289 R HA 0.279 4.619 4.340 -0.000 0.000 0.271 289 R C 0.789 177.115 176.300 0.043 0.000 0.996 289 R CA -0.805 55.315 56.100 0.033 0.000 0.961 289 R CB 0.833 31.159 30.300 0.043 0.000 1.182 289 R HN 0.516 nan 8.270 nan 0.000 0.479 290 I N 0.455 121.059 120.570 0.056 0.000 2.277 290 I HA 0.015 4.185 4.170 -0.000 0.000 0.243 290 I C 0.699 176.882 176.117 0.111 0.000 1.094 290 I CA 1.314 62.643 61.300 0.048 0.000 1.393 290 I CB 0.055 38.078 38.000 0.039 0.000 1.078 290 I HN 0.341 nan 8.210 nan 0.000 0.417 291 F N 0.000 119.939 119.950 -0.019 0.000 2.286 291 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 291 F CA 0.000 57.990 58.000 -0.016 0.000 1.383 291 F CB 0.000 38.992 39.000 -0.014 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574