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_D 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 0.000 176.747 176.600 0.244 0.000 1.382 2 E CA 0.000 56.474 56.400 0.123 0.000 0.976 2 E CB 0.000 29.726 29.700 0.043 0.000 0.812 3 R N 1.361 121.989 120.500 0.214 0.000 2.460 3 R HA 0.727 5.066 4.340 -0.000 0.000 0.303 3 R C -1.202 175.185 176.300 0.145 0.000 0.968 3 R CA -0.719 55.480 56.100 0.164 0.000 0.889 3 R CB 2.746 33.111 30.300 0.109 0.000 1.123 3 R HN -0.093 nan 8.270 nan 0.000 0.455 4 V N 1.641 121.605 119.914 0.082 0.000 2.709 4 V HA 0.660 4.780 4.120 -0.000 0.000 0.308 4 V C -0.714 175.404 176.094 0.041 0.000 1.062 4 V CA -0.853 61.465 62.300 0.029 0.000 0.901 4 V CB 1.958 33.686 31.823 -0.159 0.000 1.003 4 V HN 0.917 nan 8.190 nan 0.000 0.425 5 A N 4.276 127.133 122.820 0.062 0.000 2.318 5 A HA 0.864 5.184 4.320 -0.000 0.000 0.317 5 A C -0.952 176.650 177.584 0.030 0.000 1.159 5 A CA -0.532 51.528 52.037 0.038 0.000 0.799 5 A CB 1.537 20.559 19.000 0.037 0.000 1.194 5 A HN 0.669 nan 8.150 nan 0.000 0.479 6 V N 2.901 122.821 119.914 0.009 0.000 2.417 6 V HA 0.613 4.733 4.120 -0.000 0.000 0.291 6 V C -0.310 175.781 176.094 -0.006 0.000 1.024 6 V CA -0.488 61.812 62.300 -0.001 0.000 0.861 6 V CB 1.329 33.141 31.823 -0.018 0.000 0.985 6 V HN 0.817 nan 8.190 nan 0.000 0.436 7 V N 4.317 124.227 119.914 -0.007 0.000 2.789 7 V HA 0.951 5.071 4.120 -0.000 0.000 0.311 7 V C 0.184 176.269 176.094 -0.016 0.000 1.073 7 V CA 0.086 62.380 62.300 -0.009 0.000 0.921 7 V CB 2.143 33.965 31.823 -0.002 0.000 1.009 7 V HN 0.947 nan 8.190 nan 0.000 0.426 8 G N 3.774 112.563 108.800 -0.019 0.000 2.417 8 G HA2 0.617 4.577 3.960 -0.000 0.000 0.334 8 G HA3 0.617 4.577 3.960 -0.000 0.000 0.334 8 G C -1.303 173.585 174.900 -0.020 0.000 1.150 8 G CA -0.546 44.539 45.100 -0.024 0.000 0.923 8 G HN 0.974 nan 8.290 nan 0.000 0.485 9 V N 2.850 122.750 119.914 -0.023 0.000 2.380 9 V HA 0.274 4.394 4.120 -0.000 0.000 0.268 9 V C -2.054 174.024 176.094 -0.027 0.000 1.008 9 V CA -1.245 61.042 62.300 -0.022 0.000 0.823 9 V CB 1.829 33.639 31.823 -0.021 0.000 1.053 9 V HN 0.707 nan 8.190 nan 0.000 0.446 10 P HA 0.105 nan 4.420 nan 0.000 0.231 10 P C -0.218 177.061 177.300 -0.035 0.000 1.756 10 P CA 0.128 63.211 63.100 -0.028 0.000 0.990 10 P CB 0.254 31.941 31.700 -0.021 0.000 1.973 11 M N 1.877 121.454 119.600 -0.038 0.000 2.180 11 M HA 0.316 4.795 4.480 -0.000 0.000 0.350 11 M C -0.627 175.642 176.300 -0.051 0.000 1.125 11 M CA -0.122 55.150 55.300 -0.046 0.000 1.031 11 M CB 1.138 33.718 32.600 -0.032 0.000 1.623 11 M HN -0.190 nan 8.290 nan 0.000 0.451 12 D N 6.396 126.752 120.400 -0.074 0.000 2.621 12 D HA 0.359 4.999 4.640 -0.000 0.000 0.274 12 D C -1.485 174.747 176.300 -0.113 0.000 1.215 12 D CA -0.021 53.938 54.000 -0.069 0.000 0.810 12 D CB 0.414 41.175 40.800 -0.064 0.000 1.248 12 D HN 0.604 nan 8.370 nan 0.000 0.517 20 V N -0.353 119.534 119.914 -0.045 0.000 3.078 20 V HA -0.020 4.100 4.120 -0.000 0.000 0.265 20 V C 2.139 178.206 176.094 -0.045 0.000 1.122 20 V CA 1.954 64.222 62.300 -0.053 0.000 1.141 20 V CB -0.337 31.438 31.823 -0.081 0.000 0.735 20 V HN 0.370 nan 8.190 nan 0.000 0.498 21 D N 0.479 120.855 120.400 -0.040 0.000 2.350 21 D HA -0.179 4.461 4.640 -0.000 0.000 0.216 21 D C 1.713 178.001 176.300 -0.020 0.000 0.968 21 D CA 1.094 55.074 54.000 -0.034 0.000 0.894 21 D CB -0.276 40.502 40.800 -0.038 0.000 0.909 21 D HN 0.522 nan 8.370 nan 0.000 0.520 22 M N 0.066 119.658 119.600 -0.013 0.000 2.495 22 M HA 0.231 4.711 4.480 -0.000 0.000 0.237 22 M C 2.042 178.348 176.300 0.009 0.000 1.131 22 M CA 0.274 55.577 55.300 0.005 0.000 1.032 22 M CB 0.721 33.325 32.600 0.007 0.000 1.513 22 M HN 0.061 nan 8.290 nan 0.000 0.488 23 G N 2.096 110.890 108.800 -0.011 0.000 2.446 23 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 23 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 23 G C -1.077 173.817 174.900 -0.009 0.000 1.168 23 G CA 0.679 45.770 45.100 -0.016 0.000 0.771 23 G HN 0.323 nan 8.290 nan 0.000 0.551 24 P HA -0.047 nan 4.420 nan 0.000 0.215 24 P C 2.296 179.588 177.300 -0.013 0.000 1.153 24 P CA 1.682 64.769 63.100 -0.021 0.000 0.853 24 P CB -0.051 31.633 31.700 -0.026 0.000 0.788 25 S N -0.489 115.221 115.700 0.016 0.000 2.368 25 S HA -0.144 4.325 4.470 -0.000 0.000 0.225 25 S C 2.066 176.761 174.600 0.158 0.000 1.030 25 S CA 1.397 59.629 58.200 0.052 0.000 0.999 25 S CB -1.140 62.143 63.200 0.139 0.000 0.844 25 S HN 0.129 nan 8.310 nan 0.000 0.459 26 A N 1.309 124.216 122.820 0.145 0.000 1.902 26 A HA -0.025 4.294 4.320 -0.000 0.000 0.217 26 A C 2.116 179.765 177.584 0.107 0.000 1.181 26 A CA 1.194 53.321 52.037 0.151 0.000 0.623 26 A CB -0.704 18.337 19.000 0.068 0.000 0.818 26 A HN 0.449 nan 8.150 nan 0.000 0.443 27 L N -1.220 120.028 121.223 0.042 0.000 2.093 27 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 27 L C 2.853 179.721 176.870 -0.002 0.000 1.085 27 L CA 1.298 56.145 54.840 0.011 0.000 0.755 27 L CB -0.387 41.661 42.059 -0.018 0.000 0.904 27 L HN 0.332 nan 8.230 nan 0.000 0.435 28 R N -1.251 119.224 120.500 -0.041 0.000 2.092 28 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 28 R C 2.189 178.419 176.300 -0.117 0.000 1.119 28 R CA 1.319 57.350 56.100 -0.115 0.000 0.970 28 R CB -0.348 29.825 30.300 -0.212 0.000 0.864 28 R HN 0.247 nan 8.270 nan 0.000 0.440 29 Y N 0.214 120.509 120.300 -0.009 0.000 2.497 29 Y HA -0.032 4.518 4.550 -0.000 0.000 0.292 29 Y C 2.015 177.912 175.900 -0.004 0.000 1.137 29 Y CA 0.729 58.825 58.100 -0.007 0.000 1.285 29 Y CB -0.059 38.397 38.460 -0.007 0.000 0.991 29 Y HN 0.082 nan 8.280 nan 0.000 0.556 30 A N -0.055 122.842 122.820 0.128 0.000 2.276 30 A HA 0.131 4.451 4.320 -0.000 0.000 0.212 30 A C 0.902 178.516 177.584 0.049 0.000 1.230 30 A CA -0.054 52.031 52.037 0.079 0.000 0.844 30 A CB -0.631 18.403 19.000 0.056 0.000 0.860 30 A HN 0.440 nan 8.150 nan 0.000 0.486 31 R N -2.248 118.274 120.500 0.037 0.000 3.422 31 R HA -0.205 4.134 4.340 -0.000 0.000 0.267 31 R C 0.812 177.113 176.300 0.002 0.000 1.074 31 R CA 0.603 56.712 56.100 0.014 0.000 0.718 31 R CB -2.400 27.916 30.300 0.027 0.000 1.157 31 R HN 0.526 nan 8.270 nan 0.000 0.440 32 L N 0.251 121.467 121.223 -0.010 0.000 2.042 32 L HA -0.123 4.216 4.340 -0.000 0.000 0.210 32 L C 1.975 178.830 176.870 -0.025 0.000 1.076 32 L CA 2.076 56.904 54.840 -0.020 0.000 0.749 32 L CB -0.288 41.752 42.059 -0.032 0.000 0.893 32 L HN 0.506 nan 8.230 nan 0.000 0.432 33 L N -0.820 120.386 121.223 -0.028 0.000 2.005 33 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 33 L C 2.513 179.379 176.870 -0.007 0.000 1.072 33 L CA 1.458 56.283 54.840 -0.024 0.000 0.744 33 L CB -0.295 41.745 42.059 -0.032 0.000 0.895 33 L HN 0.264 nan 8.230 nan 0.000 0.433 34 E N -0.288 119.910 120.200 -0.005 0.000 2.085 34 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 34 E C 2.165 178.774 176.600 0.014 0.000 0.994 34 E CA 1.405 57.808 56.400 0.006 0.000 0.801 34 E CB -0.224 29.480 29.700 0.006 0.000 0.743 34 E HN 0.542 nan 8.360 nan 0.000 0.453 35 Q N -0.205 119.603 119.800 0.014 0.000 2.167 35 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 35 Q C 2.211 178.232 176.000 0.034 0.000 0.970 35 Q CA 0.704 56.520 55.803 0.021 0.000 0.855 35 Q CB -0.061 28.689 28.738 0.019 0.000 0.911 35 Q HN 0.302 nan 8.270 nan 0.000 0.438 36 L N 0.550 121.789 121.223 0.025 0.000 2.093 36 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 36 L C 2.091 179.038 176.870 0.127 0.000 1.085 36 L CA 1.116 55.989 54.840 0.056 0.000 0.755 36 L CB -0.217 41.822 42.059 -0.033 0.000 0.904 36 L HN 0.250 nan 8.230 nan 0.000 0.435 37 E N -0.077 120.167 120.200 0.073 0.000 2.072 37 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 37 E C 1.613 178.240 176.600 0.046 0.000 0.985 37 E CA 1.151 57.590 56.400 0.066 0.000 0.801 37 E CB -0.066 29.656 29.700 0.037 0.000 0.750 37 E HN 0.457 nan 8.360 nan 0.000 0.452 38 D N 0.745 121.167 120.400 0.036 0.000 2.221 38 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 38 D C 1.709 178.020 176.300 0.018 0.000 0.982 38 D CA 0.622 54.635 54.000 0.021 0.000 0.857 38 D CB -0.038 40.774 40.800 0.019 0.000 0.934 38 D HN 0.078 nan 8.370 nan 0.000 0.475 39 L N -0.522 120.728 121.223 0.046 0.000 2.552 39 L HA 0.178 4.518 4.340 -0.000 0.000 0.227 39 L C 1.510 178.341 176.870 -0.066 0.000 1.146 39 L CA 1.113 55.974 54.840 0.035 0.000 0.858 39 L CB -0.069 42.075 42.059 0.141 0.000 0.969 39 L HN 0.211 nan 8.230 nan 0.000 0.451 40 G N -2.860 105.908 108.800 -0.054 0.000 2.179 40 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 40 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 40 G C 0.062 174.856 174.900 -0.177 0.000 0.990 40 G CA -0.026 44.991 45.100 -0.138 0.000 0.646 40 G HN 0.254 nan 8.290 nan 0.000 0.517 41 Y N 1.720 121.999 120.300 -0.034 0.000 2.307 41 Y HA 0.530 5.080 4.550 -0.000 0.000 0.324 41 Y C 1.325 177.212 175.900 -0.021 0.000 1.238 41 Y CA 0.432 58.511 58.100 -0.035 0.000 1.280 41 Y CB 1.234 39.660 38.460 -0.057 0.000 1.248 41 Y HN 0.216 nan 8.280 nan 0.000 0.508 42 T N 0.077 114.731 114.554 0.167 0.000 2.744 42 T HA 0.675 5.025 4.350 -0.000 0.000 0.291 42 T C -0.718 174.038 174.700 0.093 0.000 0.957 42 T CA -0.735 61.421 62.100 0.093 0.000 1.002 42 T CB 0.345 69.251 68.868 0.064 0.000 0.919 42 T HN 0.332 nan 8.240 nan 0.000 0.468 43 V N 3.203 123.153 119.914 0.060 0.000 2.628 43 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 43 V C -0.075 176.031 176.094 0.021 0.000 1.045 43 V CA -0.930 61.391 62.300 0.034 0.000 0.905 43 V CB 1.643 33.476 31.823 0.016 0.000 0.997 43 V HN 1.057 nan 8.190 nan 0.000 0.436 44 E N 2.406 122.616 120.200 0.016 0.000 2.224 44 E HA 0.311 4.661 4.350 -0.000 0.000 0.265 44 E C -1.534 175.067 176.600 0.002 0.000 0.878 44 E CA -0.637 55.769 56.400 0.010 0.000 0.759 44 E CB 1.740 31.451 29.700 0.017 0.000 1.164 44 E HN 0.703 nan 8.360 nan 0.000 0.414 45 D N 5.241 125.637 120.400 -0.007 0.000 2.347 45 D HA 0.140 4.780 4.640 -0.000 0.000 0.235 45 D C 0.706 176.999 176.300 -0.011 0.000 1.149 45 D CA -0.252 53.739 54.000 -0.015 0.000 0.850 45 D CB 1.101 41.885 40.800 -0.028 0.000 1.061 45 D HN 0.605 nan 8.370 nan 0.000 0.487 46 L N 3.223 124.441 121.223 -0.007 0.000 2.599 46 L HA 0.218 4.558 4.340 -0.000 0.000 0.230 46 L C 1.574 178.440 176.870 -0.008 0.000 1.141 46 L CA 0.151 54.989 54.840 -0.004 0.000 0.877 46 L CB -0.774 41.286 42.059 0.002 0.000 1.009 46 L HN 0.640 nan 8.230 nan 0.000 0.447 47 G N 0.458 109.249 108.800 -0.016 0.000 2.584 47 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.229 47 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.229 47 G C -0.896 173.994 174.900 -0.017 0.000 1.320 47 G CA -0.499 44.590 45.100 -0.018 0.000 0.891 47 G HN 0.201 nan 8.290 nan 0.000 0.573 48 D N -0.664 119.727 120.400 -0.014 0.000 2.269 48 D HA 0.564 5.204 4.640 -0.000 0.000 0.244 48 D C 0.240 176.536 176.300 -0.006 0.000 0.992 48 D CA -0.373 53.619 54.000 -0.013 0.000 0.894 48 D CB 1.899 42.690 40.800 -0.015 0.000 1.248 48 D HN 0.407 nan 8.370 nan 0.000 0.468 49 V N 2.769 122.680 119.914 -0.005 0.000 2.530 49 V HA 0.204 4.324 4.120 -0.000 0.000 0.282 49 V C -1.978 174.116 176.094 -0.000 0.000 1.048 49 V CA -1.298 61.003 62.300 0.001 0.000 0.997 49 V CB 1.055 32.880 31.823 0.004 0.000 0.987 49 V HN 0.394 nan 8.190 nan 0.000 0.477 50 P HA 0.151 nan 4.420 nan 0.000 0.264 50 P C -1.031 176.270 177.300 0.001 0.000 1.193 50 P CA 0.174 63.275 63.100 0.003 0.000 0.763 50 P CB 0.439 32.144 31.700 0.008 0.000 0.810 51 V N 2.037 121.947 119.914 -0.006 0.000 2.482 51 V HA 0.678 4.798 4.120 -0.000 0.000 0.295 51 V C 0.449 176.532 176.094 -0.018 0.000 1.026 51 V CA -0.182 62.109 62.300 -0.014 0.000 0.856 51 V CB 0.966 32.772 31.823 -0.027 0.000 1.001 51 V HN 0.709 nan 8.190 nan 0.000 0.424 65 A N 0.291 123.054 122.820 -0.095 0.000 2.573 65 A HA 0.153 4.473 4.320 -0.000 0.000 0.250 65 A C -0.155 177.427 177.584 -0.003 0.000 1.049 65 A CA 0.611 52.570 52.037 -0.131 0.000 0.767 65 A CB -1.091 17.893 19.000 -0.026 0.000 0.965 65 A HN 0.515 nan 8.150 nan 0.000 0.514 66 Y N -0.145 120.136 120.300 -0.032 0.000 3.875 66 Y HA -0.277 4.273 4.550 -0.000 0.000 0.216 66 Y C 1.281 177.162 175.900 -0.032 0.000 1.148 66 Y CA 0.845 58.931 58.100 -0.023 0.000 1.629 66 Y CB -2.244 36.213 38.460 -0.005 0.000 1.506 66 Y HN 0.681 nan 8.280 nan 0.000 0.629 67 L N 0.055 121.295 121.223 0.027 0.000 2.013 67 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 67 L C 2.318 179.197 176.870 0.016 0.000 1.073 67 L CA 2.084 56.911 54.840 -0.023 0.000 0.753 67 L CB -0.090 41.867 42.059 -0.169 0.000 0.890 67 L HN 0.240 nan 8.230 nan 0.000 0.432 68 E N -0.046 120.162 120.200 0.012 0.000 2.106 68 E HA -0.228 4.121 4.350 -0.000 0.000 0.192 68 E C 2.093 178.736 176.600 0.072 0.000 0.984 68 E CA 1.322 57.743 56.400 0.036 0.000 0.806 68 E CB -0.098 29.615 29.700 0.021 0.000 0.750 68 E HN 0.610 nan 8.360 nan 0.000 0.458 69 E N 0.589 120.849 120.200 0.100 0.000 2.106 69 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 69 E C 2.165 178.814 176.600 0.082 0.000 0.984 69 E CA 0.559 57.019 56.400 0.101 0.000 0.806 69 E CB -0.153 29.634 29.700 0.145 0.000 0.750 69 E HN 0.242 nan 8.360 nan 0.000 0.458 70 I N 0.480 121.104 120.570 0.091 0.000 2.202 70 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 70 I C 2.611 178.785 176.117 0.095 0.000 1.091 70 I CA 1.050 62.391 61.300 0.067 0.000 1.368 70 I CB -0.223 37.816 38.000 0.063 0.000 1.058 70 I HN 0.045 nan 8.210 nan 0.000 0.410 71 R N 1.283 121.874 120.500 0.152 0.000 2.083 71 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 71 R C 2.371 178.820 176.300 0.248 0.000 1.137 71 R CA 1.817 58.089 56.100 0.287 0.000 0.951 71 R CB -0.291 30.129 30.300 0.200 0.000 0.851 71 R HN 0.365 nan 8.270 nan 0.000 0.434 72 A N 0.717 123.619 122.820 0.138 0.000 1.865 72 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 72 A C 2.398 180.042 177.584 0.101 0.000 1.191 72 A CA 1.877 53.976 52.037 0.103 0.000 0.623 72 A CB -0.961 18.080 19.000 0.068 0.000 0.826 72 A HN 0.567 nan 8.150 nan 0.000 0.444 73 A N -0.258 122.609 122.820 0.077 0.000 1.877 73 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 73 A C 2.521 180.137 177.584 0.054 0.000 1.186 73 A CA 2.248 54.315 52.037 0.049 0.000 0.620 73 A CB -1.097 17.915 19.000 0.021 0.000 0.822 73 A HN 1.148 nan 8.150 nan 0.000 0.443 74 A N -0.910 121.941 122.820 0.051 0.000 1.972 74 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 74 A C 2.091 179.773 177.584 0.164 0.000 1.169 74 A CA 1.687 53.708 52.037 -0.027 0.000 0.635 74 A CB -0.503 18.281 19.000 -0.360 0.000 0.810 74 A HN 0.552 nan 8.150 nan 0.000 0.446 75 L N -0.237 121.180 121.223 0.322 0.000 2.056 75 L HA -0.076 4.263 4.340 -0.000 0.000 0.207 75 L C 2.435 179.396 176.870 0.152 0.000 1.078 75 L CA 1.671 56.690 54.840 0.298 0.000 0.749 75 L CB -0.507 41.666 42.059 0.189 0.000 0.901 75 L HN 0.165 nan 8.230 nan 0.000 0.433 76 V N -0.526 119.450 119.914 0.103 0.000 2.343 76 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 76 V C 2.472 178.599 176.094 0.056 0.000 1.051 76 V CA 1.711 64.050 62.300 0.064 0.000 1.036 76 V CB -0.713 31.137 31.823 0.046 0.000 0.654 76 V HN 0.489 nan 8.190 nan 0.000 0.451 77 L N 0.589 121.845 121.223 0.054 0.000 2.017 77 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 77 L C 2.470 179.369 176.870 0.048 0.000 1.073 77 L CA 2.389 57.251 54.840 0.036 0.000 0.745 77 L CB -0.862 41.205 42.059 0.012 0.000 0.894 77 L HN 0.300 nan 8.230 nan 0.000 0.432 78 K N -0.386 120.065 120.400 0.085 0.000 2.044 78 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 78 K C 1.900 178.541 176.600 0.069 0.000 1.049 78 K CA 2.199 58.545 56.287 0.099 0.000 0.927 78 K CB -0.234 32.384 32.500 0.196 0.000 0.713 78 K HN 0.562 nan 8.250 nan 0.000 0.443 79 E N -0.097 120.143 120.200 0.067 0.000 2.077 79 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 79 E C 2.202 178.822 176.600 0.033 0.000 0.989 79 E CA 1.079 57.505 56.400 0.044 0.000 0.800 79 E CB -0.114 29.610 29.700 0.040 0.000 0.746 79 E HN 0.192 nan 8.360 nan 0.000 0.452 80 R N 1.285 121.804 120.500 0.032 0.000 2.091 80 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 80 R C 2.138 178.450 176.300 0.020 0.000 1.136 80 R CA 1.257 57.371 56.100 0.023 0.000 0.959 80 R CB -0.405 29.907 30.300 0.021 0.000 0.856 80 R HN 0.159 nan 8.270 nan 0.000 0.437 81 L N -0.512 120.724 121.223 0.021 0.000 2.109 81 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 81 L C 2.460 179.338 176.870 0.014 0.000 1.086 81 L CA 1.140 55.989 54.840 0.015 0.000 0.760 81 L CB -0.625 41.441 42.059 0.013 0.000 0.910 81 L HN 0.321 nan 8.230 nan 0.000 0.437 82 A N 0.126 122.958 122.820 0.020 0.000 2.019 82 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 82 A C 2.397 179.990 177.584 0.016 0.000 1.164 82 A CA 1.547 53.595 52.037 0.018 0.000 0.644 82 A CB -0.472 18.542 19.000 0.023 0.000 0.805 82 A HN 0.393 nan 8.150 nan 0.000 0.449 83 A N -0.749 122.082 122.820 0.017 0.000 2.169 83 A HA 0.365 4.685 4.320 -0.000 0.000 0.212 83 A C 0.940 178.533 177.584 0.015 0.000 1.153 83 A CA -0.151 51.895 52.037 0.015 0.000 0.756 83 A CB -0.380 18.630 19.000 0.016 0.000 0.813 83 A HN 0.437 nan 8.150 nan 0.000 0.471 84 L N 1.965 123.197 121.223 0.015 0.000 2.490 84 L HA 0.139 4.479 4.340 -0.000 0.000 0.274 84 L C -1.788 175.093 176.870 0.019 0.000 1.201 84 L CA -1.498 53.353 54.840 0.017 0.000 0.869 84 L CB 0.287 42.356 42.059 0.016 0.000 1.123 84 L HN 0.193 nan 8.230 nan 0.000 0.484 85 P HA 0.028 nan 4.420 nan 0.000 0.268 85 P C -0.666 176.651 177.300 0.028 0.000 1.205 85 P CA -0.194 62.921 63.100 0.024 0.000 0.771 85 P CB 0.523 32.239 31.700 0.026 0.000 0.858 86 E N 0.808 121.024 120.200 0.026 0.000 2.415 86 E HA 0.248 4.597 4.350 -0.000 0.000 0.262 86 E C 1.190 177.815 176.600 0.041 0.000 1.038 86 E CA 0.779 57.196 56.400 0.029 0.000 0.921 86 E CB -0.116 29.599 29.700 0.025 0.000 0.950 86 E HN 0.809 nan 8.360 nan 0.000 0.438 87 G N 1.395 110.227 108.800 0.053 0.000 2.195 87 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.224 87 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.224 87 G C 0.037 174.997 174.900 0.101 0.000 0.990 87 G CA -0.094 45.051 45.100 0.075 0.000 0.639 87 G HN 0.408 nan 8.290 nan 0.000 0.514 88 V N 1.719 121.684 119.914 0.085 0.000 2.350 88 V HA 0.561 4.680 4.120 -0.000 0.000 0.276 88 V C 0.150 176.316 176.094 0.120 0.000 1.028 88 V CA -0.667 61.695 62.300 0.103 0.000 0.860 88 V CB 1.229 33.093 31.823 0.068 0.000 0.990 88 V HN 0.340 nan 8.190 nan 0.000 0.453 89 F N 9.303 129.251 119.950 -0.003 0.000 2.471 89 F HA 0.427 4.954 4.527 -0.000 0.000 0.365 89 F C -1.834 173.936 175.800 -0.050 0.000 1.095 89 F CA -1.887 56.094 58.000 -0.032 0.000 1.174 89 F CB 1.065 40.019 39.000 -0.077 0.000 1.105 89 F HN 0.328 nan 8.300 nan 0.000 0.535 90 P HA 0.311 nan 4.420 nan 0.000 0.294 90 P C -0.947 176.352 177.300 -0.001 0.000 1.294 90 P CA -0.197 62.887 63.100 -0.026 0.000 0.827 90 P CB 1.964 33.622 31.700 -0.070 0.000 0.992 91 I N 3.340 123.957 120.570 0.078 0.000 2.410 91 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 91 I C -0.169 175.955 176.117 0.012 0.000 1.009 91 I CA -1.106 60.234 61.300 0.067 0.000 1.111 91 I CB 2.232 40.276 38.000 0.072 0.000 1.262 91 I HN -0.008 nan 8.210 nan 0.000 0.443 92 V N 7.298 127.210 119.914 -0.004 0.000 2.370 92 V HA 0.379 4.499 4.120 -0.000 0.000 0.279 92 V C 0.195 176.269 176.094 -0.034 0.000 1.029 92 V CA -0.522 61.771 62.300 -0.011 0.000 0.870 92 V CB 1.499 33.325 31.823 0.004 0.000 0.984 92 V HN 0.471 nan 8.190 nan 0.000 0.451 93 L N 4.945 126.146 121.223 -0.035 0.000 2.289 93 L HA 0.832 5.172 4.340 -0.000 0.000 0.285 93 L C 0.745 177.585 176.870 -0.051 0.000 1.049 93 L CA 0.038 54.850 54.840 -0.048 0.000 0.804 93 L CB 1.242 43.277 42.059 -0.041 0.000 1.195 93 L HN 0.780 nan 8.230 nan 0.000 0.428 94 G N 1.071 109.830 108.800 -0.069 0.000 2.949 94 G HA2 0.675 4.635 3.960 -0.000 0.000 0.285 94 G HA3 0.675 4.635 3.960 -0.000 0.000 0.285 94 G C -0.319 174.540 174.900 -0.069 0.000 1.395 94 G CA 0.051 45.112 45.100 -0.065 0.000 0.901 94 G HN 0.675 nan 8.290 nan 0.000 0.519 95 G N -1.136 107.628 108.800 -0.061 0.000 3.157 95 G HA2 0.398 4.358 3.960 -0.000 0.000 0.206 95 G HA3 0.398 4.358 3.960 -0.000 0.000 0.206 95 G C -0.514 174.342 174.900 -0.072 0.000 1.903 95 G CA -0.221 44.840 45.100 -0.064 0.000 0.771 95 G HN 0.501 nan 8.290 nan 0.000 0.750 96 D N -0.052 120.319 120.400 -0.049 0.000 2.506 96 D HA 0.002 4.642 4.640 -0.000 0.000 0.234 96 D C 0.762 177.100 176.300 0.062 0.000 1.143 96 D CA 0.456 54.448 54.000 -0.013 0.000 0.871 96 D CB 0.889 41.729 40.800 0.066 0.000 1.190 96 D HN 0.505 nan 8.370 nan 0.000 0.459 97 H N 0.616 119.693 119.070 0.012 0.000 2.559 97 H HA -0.058 4.498 4.556 -0.000 0.000 0.273 97 H C 1.516 176.906 175.328 0.104 0.000 1.000 97 H CA 0.247 56.321 56.048 0.042 0.000 1.195 97 H CB 0.514 30.338 29.762 0.103 0.000 1.368 97 H HN 0.216 nan 8.280 nan 0.000 0.592 98 S N 0.667 116.509 115.700 0.235 0.000 2.419 98 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 98 S C 2.053 176.669 174.600 0.026 0.000 1.019 98 S CA 1.164 59.437 58.200 0.122 0.000 0.982 98 S CB -0.227 63.031 63.200 0.097 0.000 0.789 98 S HN 0.496 nan 8.310 nan 0.000 0.490 99 L N 0.677 121.924 121.223 0.040 0.000 2.261 99 L HA 0.076 4.416 4.340 -0.000 0.000 0.216 99 L C 1.841 178.695 176.870 -0.027 0.000 1.114 99 L CA 1.414 56.241 54.840 -0.022 0.000 0.777 99 L CB -1.274 40.782 42.059 -0.005 0.000 0.910 99 L HN -0.036 nan 8.230 nan 0.000 0.440 100 S N -0.179 115.569 115.700 0.080 0.000 2.442 100 S HA -0.047 4.422 4.470 -0.000 0.000 0.236 100 S C 1.851 176.446 174.600 -0.009 0.000 1.007 100 S CA 1.677 59.943 58.200 0.109 0.000 0.965 100 S CB -0.457 62.921 63.200 0.298 0.000 0.773 100 S HN 0.527 nan 8.310 nan 0.000 0.504 101 M N 0.514 120.024 119.600 -0.151 0.000 2.159 101 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 101 M C 2.428 178.455 176.300 -0.455 0.000 1.063 101 M CA 1.618 56.704 55.300 -0.357 0.000 1.110 101 M CB -0.696 31.478 32.600 -0.711 0.000 1.374 101 M HN 0.448 nan 8.290 nan 0.000 0.411 102 G N -0.305 108.213 108.800 -0.470 0.000 2.426 102 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 102 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 102 G C 1.645 176.513 174.900 -0.053 0.000 1.156 102 G CA 0.787 45.760 45.100 -0.211 0.000 0.802 102 G HN 0.537 nan 8.290 nan 0.000 0.534 103 S N 0.611 116.277 115.700 -0.057 0.000 2.355 103 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 103 S C 2.292 176.843 174.600 -0.082 0.000 1.031 103 S CA 1.459 59.650 58.200 -0.015 0.000 0.993 103 S CB -0.585 62.647 63.200 0.052 0.000 0.859 103 S HN 0.071 nan 8.310 nan 0.000 0.453 104 V N 2.726 122.524 119.914 -0.195 0.000 2.358 104 V HA -0.060 4.059 4.120 -0.000 0.000 0.246 104 V C 3.183 179.204 176.094 -0.121 0.000 1.047 104 V CA 1.620 63.715 62.300 -0.343 0.000 1.035 104 V CB -1.550 30.090 31.823 -0.305 0.000 0.658 104 V HN 0.672 nan 8.190 nan 0.000 0.452 105 A N 0.557 123.364 122.820 -0.022 0.000 1.902 105 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 105 A C 2.395 180.004 177.584 0.042 0.000 1.181 105 A CA 1.976 54.044 52.037 0.052 0.000 0.623 105 A CB -1.156 17.952 19.000 0.180 0.000 0.818 105 A HN 0.522 nan 8.150 nan 0.000 0.443 106 G N -0.742 108.081 108.800 0.038 0.000 2.394 106 G HA2 0.091 4.051 3.960 -0.000 0.000 0.214 106 G HA3 0.091 4.051 3.960 -0.000 0.000 0.214 106 G C 1.691 176.598 174.900 0.012 0.000 1.176 106 G CA 1.182 46.302 45.100 0.034 0.000 0.786 106 G HN 0.788 nan 8.290 nan 0.000 0.533 107 A N 0.934 123.752 122.820 -0.003 0.000 2.066 107 A HA 0.415 4.735 4.320 -0.000 0.000 0.218 107 A C 2.682 180.264 177.584 -0.004 0.000 1.157 107 A CA 1.785 53.819 52.037 -0.004 0.000 0.670 107 A CB -0.468 18.550 19.000 0.030 0.000 0.804 107 A HN 0.668 nan 8.150 nan 0.000 0.453 108 A N -0.680 122.136 122.820 -0.008 0.000 1.969 108 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 108 A C 1.358 178.947 177.584 0.008 0.000 1.169 108 A CA 1.008 53.046 52.037 0.002 0.000 0.635 108 A CB -0.342 18.658 19.000 -0.000 0.000 0.810 108 A HN 0.541 nan 8.150 nan 0.000 0.445 109 R N -2.549 117.957 120.500 0.009 0.000 3.422 109 R HA -0.216 4.124 4.340 -0.000 0.000 0.267 109 R C 1.012 177.318 176.300 0.011 0.000 1.074 109 R CA 0.405 56.511 56.100 0.010 0.000 0.718 109 R CB -2.514 27.792 30.300 0.009 0.000 1.157 109 R HN 1.611 nan 8.270 nan 0.000 0.440 110 G N -0.413 108.395 108.800 0.012 0.000 2.189 110 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.267 110 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.267 110 G C 0.291 175.197 174.900 0.010 0.000 0.975 110 G CA 0.974 46.080 45.100 0.010 0.000 0.644 110 G HN 0.469 nan 8.290 nan 0.000 0.537 111 R N 0.449 120.955 120.500 0.012 0.000 2.607 111 R HA 0.676 5.016 4.340 -0.000 0.000 0.261 111 R C 0.633 176.942 176.300 0.015 0.000 1.051 111 R CA -1.374 54.734 56.100 0.012 0.000 1.110 111 R CB 0.330 30.638 30.300 0.013 0.000 1.158 111 R HN 0.251 nan 8.270 nan 0.000 0.543 112 R N 1.929 122.438 120.500 0.015 0.000 2.370 112 R HA 0.304 4.644 4.340 -0.000 0.000 0.309 112 R C -0.798 175.517 176.300 0.025 0.000 1.059 112 R CA -0.201 55.910 56.100 0.017 0.000 0.981 112 R CB -0.017 30.291 30.300 0.013 0.000 0.972 112 R HN 0.461 nan 8.270 nan 0.000 0.437 113 V N 1.238 121.171 119.914 0.033 0.000 2.914 113 V HA 0.786 4.906 4.120 -0.000 0.000 0.314 113 V C 0.073 176.207 176.094 0.066 0.000 1.084 113 V CA -0.851 61.479 62.300 0.049 0.000 0.963 113 V CB 1.860 33.716 31.823 0.056 0.000 1.025 113 V HN 0.783 nan 8.190 nan 0.000 0.432 114 G N 1.402 110.252 108.800 0.083 0.000 2.377 114 G HA2 0.580 4.540 3.960 -0.000 0.000 0.299 114 G HA3 0.580 4.540 3.960 -0.000 0.000 0.299 114 G C -0.902 174.091 174.900 0.155 0.000 1.150 114 G CA -0.613 44.550 45.100 0.105 0.000 0.847 114 G HN 1.072 nan 8.290 nan 0.000 0.501 115 V N 2.106 122.130 119.914 0.183 0.000 2.409 115 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 115 V C -0.222 176.041 176.094 0.281 0.000 1.020 115 V CA -0.645 61.814 62.300 0.266 0.000 0.848 115 V CB 1.712 33.702 31.823 0.279 0.000 0.990 115 V HN 0.517 nan 8.190 nan 0.000 0.430 116 V N 4.646 124.727 119.914 0.279 0.000 2.294 116 V HA 0.289 4.408 4.120 -0.000 0.000 0.272 116 V C -0.338 175.941 176.094 0.309 0.000 1.027 116 V CA -0.511 61.936 62.300 0.245 0.000 0.823 116 V CB 1.207 33.120 31.823 0.149 0.000 1.030 116 V HN 0.899 nan 8.190 nan 0.000 0.457 117 W N 6.019 127.394 121.300 0.125 0.000 2.311 117 W HA 0.483 5.142 4.660 -0.000 0.000 0.317 117 W C -0.834 175.757 176.519 0.120 0.000 1.065 117 W CA -0.501 56.928 57.345 0.141 0.000 1.364 117 W CB 1.696 31.229 29.460 0.122 0.000 1.233 117 W HN 0.360 nan 8.180 nan 0.000 0.409 118 V N 6.603 126.578 119.914 0.102 0.000 2.320 118 V HA 0.222 4.342 4.120 -0.000 0.000 0.265 118 V C -0.107 176.012 176.094 0.041 0.000 1.048 118 V CA -0.008 62.334 62.300 0.069 0.000 0.865 118 V CB 0.790 32.609 31.823 -0.006 0.000 1.043 118 V HN 0.401 nan 8.190 nan 0.000 0.474 119 D N 2.992 123.482 120.400 0.152 0.000 2.654 119 D HA 0.529 5.169 4.640 -0.000 0.000 0.231 119 D C 0.510 176.894 176.300 0.139 0.000 1.239 119 D CA -0.084 54.025 54.000 0.182 0.000 0.790 119 D CB 2.771 43.810 40.800 0.399 0.000 1.480 119 D HN 0.346 nan 8.370 nan 0.000 0.442 120 A N 1.590 124.441 122.820 0.051 0.000 2.119 120 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 120 A C 0.355 177.771 177.584 -0.279 0.000 1.152 120 A CA 1.122 53.072 52.037 -0.145 0.000 0.708 120 A CB -0.309 18.529 19.000 -0.270 0.000 0.805 120 A HN 0.571 nan 8.150 nan 0.000 0.460 121 H N -3.567 115.616 119.070 0.189 0.000 2.710 121 H HA 0.655 5.211 4.556 -0.000 0.000 0.361 121 H C 0.888 176.363 175.328 0.245 0.000 1.175 121 H CA -0.103 56.062 56.048 0.194 0.000 1.206 121 H CB 1.693 31.576 29.762 0.203 0.000 1.750 121 H HN 0.041 nan 8.280 nan 0.000 0.553 122 A N 0.001 122.994 122.820 0.288 0.000 2.169 122 A HA 0.051 4.371 4.320 -0.000 0.000 0.210 122 A C 0.162 177.796 177.584 0.083 0.000 1.168 122 A CA 0.321 52.442 52.037 0.140 0.000 0.813 122 A CB -0.149 18.877 19.000 0.043 0.000 0.861 122 A HN 0.851 nan 8.150 nan 0.000 0.481 123 D N -1.992 118.523 120.400 0.191 0.000 2.701 123 D HA -0.209 4.431 4.640 -0.000 0.000 0.235 123 D C -0.212 176.097 176.300 0.014 0.000 1.155 123 D CA 0.861 54.927 54.000 0.111 0.000 0.649 123 D CB -1.424 39.471 40.800 0.160 0.000 1.050 123 D HN 0.486 nan 8.370 nan 0.000 0.425 124 F N 0.731 120.611 119.950 -0.117 0.000 2.850 124 F HA 0.239 4.765 4.527 -0.001 0.000 0.306 124 F C 0.796 176.551 175.800 -0.074 0.000 1.162 124 F CA -0.533 57.385 58.000 -0.136 0.000 1.327 124 F CB 0.114 39.030 39.000 -0.139 0.000 0.953 124 F HN -0.192 nan 8.300 nan 0.000 0.507 125 N N -0.363 118.320 118.700 -0.029 0.000 2.493 125 N HA 0.434 5.174 4.740 -0.000 0.000 0.275 125 N C 0.020 175.463 175.510 -0.111 0.000 1.186 125 N CA -0.062 52.964 53.050 -0.040 0.000 0.978 125 N CB 0.962 39.443 38.487 -0.010 0.000 1.184 125 N HN 0.153 nan 8.380 nan 0.000 0.487 126 T N -2.534 111.973 114.554 -0.079 0.000 2.910 126 T HA 0.389 4.739 4.350 -0.000 0.000 0.287 126 T C -2.248 172.431 174.700 -0.035 0.000 1.050 126 T CA -1.801 60.252 62.100 -0.077 0.000 1.011 126 T CB 1.746 70.566 68.868 -0.080 0.000 1.195 126 T HN 0.115 nan 8.240 nan 0.000 0.540 127 P HA -0.020 nan 4.420 nan 0.000 0.219 127 P C 0.985 178.283 177.300 -0.003 0.000 1.146 127 P CA 0.964 64.068 63.100 0.006 0.000 0.808 127 P CB 0.094 31.824 31.700 0.051 0.000 0.779 128 E N -1.157 119.036 120.200 -0.011 0.000 2.046 128 E HA -0.109 4.240 4.350 -0.000 0.000 0.190 128 E C 1.989 178.585 176.600 -0.007 0.000 0.982 128 E CA 1.794 58.188 56.400 -0.010 0.000 0.800 128 E CB -1.493 28.198 29.700 -0.015 0.000 0.756 128 E HN 0.332 nan 8.360 nan 0.000 0.449 129 T N -2.812 111.737 114.554 -0.008 0.000 3.085 129 T HA 0.192 4.542 4.350 -0.000 0.000 0.263 129 T C 0.705 175.408 174.700 0.004 0.000 1.127 129 T CA 0.417 62.518 62.100 0.002 0.000 1.103 129 T CB 0.072 68.945 68.868 0.009 0.000 0.921 129 T HN 0.051 nan 8.240 nan 0.000 0.510 133 G N 1.166 109.941 108.800 -0.043 0.000 2.162 133 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 133 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 133 G C -0.113 174.729 174.900 -0.097 0.000 0.976 133 G CA 0.223 45.290 45.100 -0.056 0.000 0.655 133 G HN 0.791 nan 8.290 nan 0.000 0.533 134 N N -0.016 118.591 118.700 -0.155 0.000 2.452 134 N HA 0.317 5.057 4.740 -0.000 0.000 0.266 134 N C 1.580 176.886 175.510 -0.340 0.000 1.209 134 N CA -0.122 52.721 53.050 -0.344 0.000 0.929 134 N CB 1.418 39.544 38.487 -0.600 0.000 1.063 134 N HN 0.015 nan 8.380 nan 0.000 0.472 135 V N 2.215 121.971 119.914 -0.263 0.000 2.626 135 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 135 V C 1.525 177.568 176.094 -0.087 0.000 1.067 135 V CA 1.525 63.748 62.300 -0.128 0.000 1.081 135 V CB -0.987 30.810 31.823 -0.043 0.000 0.686 135 V HN 0.798 nan 8.190 nan 0.000 0.468 136 H N -0.049 119.046 119.070 0.041 0.000 2.562 136 H HA 0.208 4.764 4.556 -0.000 0.000 0.272 136 H C 1.600 176.972 175.328 0.072 0.000 1.019 136 H CA 0.817 56.906 56.048 0.068 0.000 1.160 136 H CB -0.589 29.217 29.762 0.073 0.000 1.334 136 H HN 0.313 nan 8.280 nan 0.000 0.611 137 G N -0.194 108.634 108.800 0.046 0.000 3.453 137 G HA2 0.235 4.194 3.960 -0.000 0.000 0.263 137 G HA3 0.235 4.194 3.960 -0.000 0.000 0.263 137 G C 0.647 175.557 174.900 0.017 0.000 1.060 137 G CA -0.151 44.992 45.100 0.072 0.000 0.793 137 G HN 0.471 nan 8.290 nan 0.000 0.532 138 M N 0.166 119.758 119.600 -0.013 0.000 2.268 138 M HA 0.206 4.686 4.480 -0.000 0.000 0.355 138 M C -1.377 174.857 176.300 -0.111 0.000 0.938 138 M CA -0.532 54.721 55.300 -0.078 0.000 1.025 138 M CB 0.982 33.535 32.600 -0.079 0.000 1.773 138 M HN -0.124 nan 8.290 nan 0.000 0.613 139 P HA -0.181 nan 4.420 nan 0.000 0.216 139 P C 1.596 178.773 177.300 -0.205 0.000 1.153 139 P CA 1.237 64.302 63.100 -0.058 0.000 0.858 139 P CB 0.165 31.923 31.700 0.097 0.000 0.789 140 L N -0.121 120.830 121.223 -0.453 0.000 2.093 140 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 140 L C 2.557 179.194 176.870 -0.390 0.000 1.085 140 L CA 1.743 56.203 54.840 -0.634 0.000 0.755 140 L CB -1.629 39.811 42.059 -1.031 0.000 0.904 140 L HN -0.091 nan 8.230 nan 0.000 0.435 141 A N -1.148 121.326 122.820 -0.577 0.000 1.877 141 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 141 A C 2.267 179.577 177.584 -0.457 0.000 1.186 141 A CA 1.964 53.419 52.037 -0.969 0.000 0.620 141 A CB -1.095 17.373 19.000 -0.887 0.000 0.822 141 A HN 0.256 nan 8.150 nan 0.000 0.443 142 V N 0.210 119.967 119.914 -0.262 0.000 2.287 142 V HA -0.294 3.825 4.120 -0.000 0.000 0.248 142 V C 2.574 178.632 176.094 -0.059 0.000 1.053 142 V CA 2.112 64.349 62.300 -0.105 0.000 1.027 142 V CB -0.822 30.995 31.823 -0.010 0.000 0.646 142 V HN 0.578 nan 8.190 nan 0.000 0.447 143 L N -0.105 121.076 121.223 -0.071 0.000 2.127 143 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 143 L C 2.278 179.134 176.870 -0.023 0.000 1.089 143 L CA 1.531 56.359 54.840 -0.021 0.000 0.757 143 L CB -0.431 41.607 42.059 -0.035 0.000 0.899 143 L HN 0.298 nan 8.230 nan 0.000 0.434 144 S N -0.762 114.898 115.700 -0.066 0.000 2.593 144 S HA 0.161 4.631 4.470 -0.000 0.000 0.217 144 S C 1.349 175.927 174.600 -0.037 0.000 0.966 144 S CA 0.674 58.863 58.200 -0.018 0.000 0.914 144 S CB 0.455 63.686 63.200 0.052 0.000 0.776 144 S HN 0.655 nan 8.310 nan 0.000 0.523 145 G N 1.137 109.900 108.800 -0.060 0.000 2.131 145 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.223 145 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.223 145 G C -0.207 174.645 174.900 -0.080 0.000 0.990 145 G CA -0.335 44.735 45.100 -0.049 0.000 0.671 145 G HN 0.435 nan 8.290 nan 0.000 0.521 146 L N -0.029 121.106 121.223 -0.147 0.000 2.341 146 L HA 0.790 5.130 4.340 -0.000 0.000 0.278 146 L C 0.854 177.627 176.870 -0.161 0.000 1.005 146 L CA -0.084 54.654 54.840 -0.170 0.000 0.818 146 L CB 1.744 43.641 42.059 -0.270 0.000 1.259 146 L HN 0.971 nan 8.230 nan 0.000 0.418 147 G N 0.713 109.451 108.800 -0.103 0.000 2.293 147 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.282 147 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.282 147 G C -1.244 173.649 174.900 -0.011 0.000 1.299 147 G CA -0.887 44.178 45.100 -0.058 0.000 1.018 147 G HN 0.725 nan 8.290 nan 0.000 0.478 148 H N 1.773 120.818 119.070 -0.043 0.000 3.034 148 H HA 0.332 4.888 4.556 -0.000 0.000 0.324 148 H C -1.052 174.263 175.328 -0.021 0.000 1.015 148 H CA 0.292 56.324 56.048 -0.026 0.000 1.429 148 H CB 1.225 30.980 29.762 -0.013 0.000 1.429 148 H HN 0.152 nan 8.280 nan 0.000 0.585 149 P HA -0.210 nan 4.420 nan 0.000 0.216 149 P C 1.321 178.651 177.300 0.051 0.000 1.153 149 P CA 1.212 64.261 63.100 -0.085 0.000 0.858 149 P CB 0.296 31.893 31.700 -0.172 0.000 0.789 150 R N -0.908 119.751 120.500 0.265 0.000 2.200 150 R HA -0.022 4.318 4.340 -0.000 0.000 0.234 150 R C 2.067 178.422 176.300 0.093 0.000 1.127 150 R CA 0.990 57.205 56.100 0.192 0.000 0.989 150 R CB -1.073 29.372 30.300 0.243 0.000 0.869 150 R HN 0.349 nan 8.270 nan 0.000 0.459 151 L N -0.782 120.535 121.223 0.157 0.000 2.269 151 L HA -0.003 4.336 4.340 -0.000 0.000 0.200 151 L C 2.384 179.321 176.870 0.112 0.000 1.069 151 L CA 1.147 56.102 54.840 0.193 0.000 0.804 151 L CB -0.694 41.520 42.059 0.259 0.000 0.987 151 L HN 0.149 nan 8.230 nan 0.000 0.468 152 T N -1.707 112.890 114.554 0.070 0.000 2.833 152 T HA -0.204 4.145 4.350 -0.000 0.000 0.269 152 T C 1.529 176.206 174.700 -0.038 0.000 1.054 152 T CA 1.346 63.461 62.100 0.025 0.000 1.135 152 T CB -0.463 68.403 68.868 -0.005 0.000 0.869 152 T HN 0.554 nan 8.240 nan 0.000 0.466 153 E N 1.788 121.944 120.200 -0.073 0.000 2.204 153 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 153 E C 2.039 178.538 176.600 -0.170 0.000 0.990 153 E CA 1.533 57.872 56.400 -0.102 0.000 0.821 153 E CB -0.510 29.136 29.700 -0.090 0.000 0.750 153 E HN 0.655 nan 8.360 nan 0.000 0.477 154 V N -3.797 115.921 119.914 -0.325 0.000 3.604 154 V HA 0.251 4.371 4.120 -0.000 0.000 0.277 154 V C 0.957 176.746 176.094 -0.509 0.000 1.399 154 V CA -0.272 61.735 62.300 -0.488 0.000 1.034 154 V CB -0.320 31.061 31.823 -0.736 0.000 0.824 154 V HN 0.080 nan 8.190 nan 0.000 0.439 155 F N 0.617 120.564 119.950 -0.005 0.000 2.746 155 F HA 0.491 5.018 4.527 -0.000 0.000 0.313 155 F C 1.276 177.064 175.800 -0.019 0.000 1.095 155 F CA -1.261 56.734 58.000 -0.009 0.000 1.224 155 F CB -0.021 38.976 39.000 -0.004 0.000 1.060 155 F HN -0.011 nan 8.300 nan 0.000 0.584 156 R N 1.450 122.014 120.500 0.107 0.000 2.504 156 R HA 0.285 4.624 4.340 -0.000 0.000 0.291 156 R C 0.459 176.789 176.300 0.050 0.000 0.974 156 R CA 0.957 57.089 56.100 0.054 0.000 1.077 156 R CB 0.349 30.657 30.300 0.013 0.000 0.926 156 R HN 0.237 nan 8.270 nan 0.000 0.407 157 A N 4.002 126.848 122.820 0.042 0.000 2.736 157 A HA 0.188 4.508 4.320 -0.000 0.000 0.222 157 A C -0.851 176.747 177.584 0.024 0.000 1.267 157 A CA -0.178 51.879 52.037 0.033 0.000 1.026 157 A CB 0.810 19.834 19.000 0.040 0.000 1.281 157 A HN 0.465 nan 8.150 nan 0.000 0.577 158 V N 0.296 120.225 119.914 0.025 0.000 2.971 158 V HA 0.476 4.596 4.120 -0.000 0.000 0.309 158 V C -1.885 174.230 176.094 0.034 0.000 1.130 158 V CA -0.694 61.625 62.300 0.031 0.000 0.964 158 V CB 2.012 33.860 31.823 0.042 0.000 1.029 158 V HN 0.314 nan 8.190 nan 0.000 0.427 159 D N 5.580 126.001 120.400 0.034 0.000 2.308 159 D HA 0.357 4.997 4.640 -0.000 0.000 0.251 159 D C -1.828 174.502 176.300 0.051 0.000 1.127 159 D CA -1.677 52.344 54.000 0.034 0.000 0.876 159 D CB 2.425 43.238 40.800 0.022 0.000 1.176 159 D HN 0.305 nan 8.370 nan 0.000 0.446 160 P HA -0.161 nan 4.420 nan 0.000 0.218 160 P C 0.689 178.027 177.300 0.062 0.000 1.146 160 P CA 1.493 64.641 63.100 0.080 0.000 0.820 160 P CB 0.244 32.002 31.700 0.096 0.000 0.778 161 K N -1.182 119.251 120.400 0.055 0.000 2.486 161 K HA -0.025 4.295 4.320 -0.000 0.000 0.194 161 K C 0.394 177.024 176.600 0.051 0.000 1.033 161 K CA 0.715 57.041 56.287 0.065 0.000 1.004 161 K CB -0.123 32.388 32.500 0.018 0.000 0.798 161 K HN 0.192 nan 8.250 nan 0.000 0.495 162 D N 0.700 121.131 120.400 0.052 0.000 2.424 162 D HA 0.066 4.706 4.640 -0.000 0.000 0.220 162 D C -0.484 175.885 176.300 0.116 0.000 1.150 162 D CA 0.142 54.173 54.000 0.052 0.000 0.831 162 D CB 0.738 41.558 40.800 0.034 0.000 0.981 162 D HN -0.159 nan 8.370 nan 0.000 0.500 163 V N 0.785 120.780 119.914 0.135 0.000 2.628 163 V HA 0.486 4.606 4.120 -0.000 0.000 0.306 163 V C 0.021 176.199 176.094 0.140 0.000 1.045 163 V CA -0.763 61.614 62.300 0.129 0.000 0.905 163 V CB 2.728 34.587 31.823 0.061 0.000 0.997 163 V HN -0.228 nan 8.190 nan 0.000 0.436 164 V N 5.559 125.570 119.914 0.162 0.000 2.623 164 V HA 0.466 4.586 4.120 -0.000 0.000 0.304 164 V C -0.543 175.661 176.094 0.184 0.000 1.054 164 V CA -0.449 61.941 62.300 0.149 0.000 0.882 164 V CB 1.898 33.853 31.823 0.220 0.000 1.002 164 V HN 0.646 nan 8.190 nan 0.000 0.424 165 L N 4.874 126.174 121.223 0.129 0.000 2.307 165 L HA 0.741 5.081 4.340 -0.000 0.000 0.282 165 L C -0.752 176.254 176.870 0.227 0.000 1.051 165 L CA -0.637 54.310 54.840 0.178 0.000 0.804 165 L CB 1.900 43.997 42.059 0.064 0.000 1.197 165 L HN 0.399 nan 8.230 nan 0.000 0.431 166 V N 1.726 121.774 119.914 0.225 0.000 2.623 166 V HA 0.602 4.722 4.120 -0.000 0.000 0.304 166 V C 0.548 176.722 176.094 0.132 0.000 1.054 166 V CA 0.078 62.489 62.300 0.185 0.000 0.882 166 V CB 1.394 33.286 31.823 0.115 0.000 1.002 166 V HN 0.971 nan 8.190 nan 0.000 0.424 167 G N 3.732 112.599 108.800 0.112 0.000 2.159 167 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.227 167 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.227 167 G C 0.110 175.044 174.900 0.057 0.000 0.986 167 G CA -0.051 45.091 45.100 0.070 0.000 0.651 167 G HN 0.809 nan 8.290 nan 0.000 0.523 168 V N 1.599 121.557 119.914 0.074 0.000 2.673 168 V HA 0.387 4.506 4.120 -0.000 0.000 0.303 168 V C 1.501 177.603 176.094 0.013 0.000 1.046 168 V CA 1.405 63.731 62.300 0.042 0.000 1.126 168 V CB 1.115 32.971 31.823 0.054 0.000 0.934 168 V HN 0.701 nan 8.190 nan 0.000 0.487 169 R N 1.787 122.267 120.500 -0.034 0.000 2.496 169 R HA 0.339 4.678 4.340 -0.000 0.000 0.369 169 R C -0.045 176.234 176.300 -0.035 0.000 0.896 169 R CA -0.109 55.976 56.100 -0.025 0.000 1.147 169 R CB 0.661 30.946 30.300 -0.026 0.000 1.697 169 R HN 0.528 nan 8.270 nan 0.000 0.518 170 S N 1.126 116.798 115.700 -0.047 0.000 2.689 170 S HA 0.576 5.046 4.470 -0.000 0.000 0.274 170 S C -1.406 173.250 174.600 0.094 0.000 1.176 170 S CA -0.579 57.630 58.200 0.016 0.000 1.014 170 S CB 0.940 64.141 63.200 0.002 0.000 1.071 170 S HN 0.277 nan 8.310 nan 0.000 0.478 171 L N 3.236 124.510 121.223 0.085 0.000 2.409 171 L HA 0.631 4.971 4.340 -0.000 0.000 0.262 171 L C -0.801 176.115 176.870 0.078 0.000 0.992 171 L CA -1.049 53.845 54.840 0.089 0.000 0.817 171 L CB 2.128 44.216 42.059 0.048 0.000 1.350 171 L HN 0.524 nan 8.230 nan 0.000 0.411 172 D N 1.684 122.132 120.400 0.080 0.000 2.253 172 D HA 0.223 4.863 4.640 -0.000 0.000 0.249 172 D C -1.732 174.595 176.300 0.045 0.000 1.049 172 D CA -1.406 52.630 54.000 0.061 0.000 0.929 172 D CB 1.933 42.769 40.800 0.060 0.000 1.176 172 D HN 0.200 nan 8.370 nan 0.000 0.437 173 P HA -0.138 nan 4.420 nan 0.000 0.215 173 P C 1.422 178.738 177.300 0.027 0.000 1.157 173 P CA 1.402 64.516 63.100 0.023 0.000 0.874 173 P CB 0.205 31.916 31.700 0.018 0.000 0.790 174 G N -0.258 108.561 108.800 0.031 0.000 2.442 174 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 174 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 174 G C 1.503 176.438 174.900 0.057 0.000 1.141 174 G CA 0.669 45.790 45.100 0.035 0.000 0.763 174 G HN 0.284 nan 8.290 nan 0.000 0.554 175 E N 0.392 120.635 120.200 0.072 0.000 2.058 175 E HA -0.131 4.218 4.350 -0.000 0.000 0.194 175 E C 2.577 179.224 176.600 0.078 0.000 0.997 175 E CA 1.029 57.498 56.400 0.115 0.000 0.801 175 E CB -0.082 29.684 29.700 0.111 0.000 0.746 175 E HN 0.410 nan 8.360 nan 0.000 0.450 176 K N 0.476 120.896 120.400 0.033 0.000 2.032 176 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 176 K C 2.256 178.854 176.600 -0.003 0.000 1.048 176 K CA 1.111 57.396 56.287 -0.004 0.000 0.927 176 K CB -0.166 32.330 32.500 -0.007 0.000 0.712 176 K HN 0.033 nan 8.250 nan 0.000 0.441 177 R N 0.855 121.366 120.500 0.019 0.000 2.070 177 R HA -0.085 4.255 4.340 -0.000 0.000 0.233 177 R C 2.468 178.794 176.300 0.042 0.000 1.137 177 R CA 1.345 57.457 56.100 0.020 0.000 0.945 177 R CB -0.504 29.810 30.300 0.023 0.000 0.845 177 R HN 0.167 nan 8.270 nan 0.000 0.430 178 L N 0.687 121.968 121.223 0.097 0.000 2.042 178 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 178 L C 2.474 179.456 176.870 0.186 0.000 1.076 178 L CA 1.240 56.196 54.840 0.193 0.000 0.749 178 L CB -0.490 41.750 42.059 0.302 0.000 0.893 178 L HN 0.228 nan 8.230 nan 0.000 0.432 179 L N -0.423 120.803 121.223 0.004 0.000 2.017 179 L HA -0.232 4.107 4.340 -0.000 0.000 0.208 179 L C 2.728 179.493 176.870 -0.175 0.000 1.073 179 L CA 1.460 56.109 54.840 -0.318 0.000 0.745 179 L CB -0.444 41.394 42.059 -0.369 0.000 0.894 179 L HN 0.212 nan 8.230 nan 0.000 0.432 180 K N -0.204 120.141 120.400 -0.092 0.000 2.057 180 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 180 K C 2.025 178.603 176.600 -0.036 0.000 1.050 180 K CA 1.277 57.523 56.287 -0.069 0.000 0.935 180 K CB -0.092 32.377 32.500 -0.050 0.000 0.715 180 K HN 0.339 nan 8.250 nan 0.000 0.439 181 E N 0.502 120.699 120.200 -0.004 0.000 2.058 181 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 181 E C 1.915 178.528 176.600 0.022 0.000 0.997 181 E CA 1.218 57.627 56.400 0.015 0.000 0.801 181 E CB -0.075 29.646 29.700 0.035 0.000 0.746 181 E HN 0.311 nan 8.360 nan 0.000 0.450 182 A N 0.057 122.903 122.820 0.043 0.000 2.119 182 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 182 A C 1.772 179.359 177.584 0.005 0.000 1.153 182 A CA 1.102 53.174 52.037 0.058 0.000 0.692 182 A CB -0.446 18.655 19.000 0.168 0.000 0.799 182 A HN 0.387 nan 8.150 nan 0.000 0.458 183 G N -1.238 107.539 108.800 -0.039 0.000 2.182 183 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.248 183 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.248 183 G C 0.074 174.934 174.900 -0.066 0.000 1.042 183 G CA 0.123 45.196 45.100 -0.044 0.000 0.775 183 G HN 0.793 nan 8.290 nan 0.000 0.501 184 V N 0.451 120.275 119.914 -0.149 0.000 2.555 184 V HA 0.392 4.512 4.120 -0.000 0.000 0.286 184 V C 1.191 177.161 176.094 -0.208 0.000 1.044 184 V CA -0.319 61.868 62.300 -0.188 0.000 1.026 184 V CB 1.295 32.883 31.823 -0.392 0.000 0.981 184 V HN 0.557 nan 8.190 nan 0.000 0.480 185 R N 4.754 125.134 120.500 -0.200 0.000 2.351 185 R HA 0.359 4.698 4.340 -0.000 0.000 0.318 185 R C -1.095 175.000 176.300 -0.342 0.000 1.055 185 R CA 0.183 56.070 56.100 -0.355 0.000 0.968 185 R CB 0.325 30.283 30.300 -0.570 0.000 0.974 185 R HN 0.481 nan 8.270 nan 0.000 0.439 186 V N 6.824 126.494 119.914 -0.407 0.000 2.487 186 V HA 0.336 4.455 4.120 -0.000 0.000 0.298 186 V C -1.048 174.810 176.094 -0.393 0.000 1.028 186 V CA -0.708 61.412 62.300 -0.300 0.000 0.860 186 V CB 1.364 33.063 31.823 -0.206 0.000 0.991 186 V HN 0.635 nan 8.190 nan 0.000 0.427 187 Y N 3.069 123.353 120.300 -0.027 0.000 2.587 187 Y HA 0.443 4.993 4.550 -0.000 0.000 0.328 187 Y C 1.162 177.070 175.900 0.014 0.000 0.980 187 Y CA -0.639 57.458 58.100 -0.005 0.000 1.272 187 Y CB 1.373 39.831 38.460 -0.004 0.000 1.094 187 Y HN 0.792 nan 8.280 nan 0.000 0.503 188 T N -1.255 113.373 114.554 0.124 0.000 2.754 188 T HA 0.096 4.446 4.350 -0.000 0.000 0.286 188 T C 1.476 176.249 174.700 0.123 0.000 0.997 188 T CA -0.799 61.361 62.100 0.100 0.000 0.982 188 T CB 0.722 69.632 68.868 0.071 0.000 1.027 188 T HN 0.454 nan 8.240 nan 0.000 0.529 189 M N 0.385 120.040 119.600 0.091 0.000 2.358 189 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 189 M C 2.092 178.442 176.300 0.083 0.000 1.064 189 M CA 1.405 56.748 55.300 0.072 0.000 1.093 189 M CB -1.794 30.835 32.600 0.048 0.000 1.401 189 M HN 0.843 nan 8.290 nan 0.000 0.440 190 H N 0.550 119.637 119.070 0.029 0.000 2.321 190 H HA -0.148 4.407 4.556 -0.000 0.000 0.300 190 H C 1.399 176.751 175.328 0.040 0.000 1.087 190 H CA 2.023 58.087 56.048 0.026 0.000 1.319 190 H CB 0.276 30.048 29.762 0.017 0.000 1.379 190 H HN 0.276 nan 8.280 nan 0.000 0.501 191 E N 0.087 120.383 120.200 0.160 0.000 2.150 191 E HA -0.080 4.269 4.350 -0.000 0.000 0.193 191 E C 2.587 179.221 176.600 0.057 0.000 0.985 191 E CA 0.893 57.375 56.400 0.137 0.000 0.814 191 E CB -0.088 29.783 29.700 0.285 0.000 0.752 191 E HN 0.234 nan 8.360 nan 0.000 0.466 192 V N 1.511 121.456 119.914 0.052 0.000 2.295 192 V HA -0.261 3.858 4.120 -0.000 0.000 0.246 192 V C 1.562 177.636 176.094 -0.032 0.000 1.049 192 V CA 2.010 64.312 62.300 0.004 0.000 1.024 192 V CB -0.435 31.396 31.823 0.012 0.000 0.648 192 V HN 0.244 nan 8.190 nan 0.000 0.447 193 D N -0.457 119.909 120.400 -0.056 0.000 2.117 193 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 193 D C 2.370 178.608 176.300 -0.103 0.000 0.987 193 D CA 1.183 55.135 54.000 -0.079 0.000 0.829 193 D CB -0.218 40.523 40.800 -0.099 0.000 0.961 193 D HN 0.294 nan 8.370 nan 0.000 0.460 194 R N -0.076 120.328 120.500 -0.160 0.000 2.066 194 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 194 R C 2.297 178.561 176.300 -0.060 0.000 1.131 194 R CA 0.753 56.771 56.100 -0.138 0.000 0.955 194 R CB -0.010 30.173 30.300 -0.196 0.000 0.851 194 R HN 0.192 nan 8.270 nan 0.000 0.432 195 L N -1.391 119.810 121.223 -0.036 0.000 2.357 195 L HA 0.287 4.626 4.340 -0.000 0.000 0.211 195 L C 0.776 177.626 176.870 -0.034 0.000 1.075 195 L CA 0.301 55.129 54.840 -0.021 0.000 0.830 195 L CB 0.202 42.261 42.059 -0.000 0.000 0.996 195 L HN 0.365 nan 8.230 nan 0.000 0.467 196 G N -0.451 108.325 108.800 -0.041 0.000 2.719 196 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 196 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 196 G C 0.165 175.029 174.900 -0.061 0.000 1.201 196 G CA -0.464 44.611 45.100 -0.041 0.000 0.768 196 G HN -0.224 nan 8.290 nan 0.000 0.629 197 V N 1.840 121.720 119.914 -0.056 0.000 2.392 197 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 197 V C 3.338 179.386 176.094 -0.077 0.000 1.059 197 V CA 3.408 65.664 62.300 -0.073 0.000 1.051 197 V CB -1.235 30.557 31.823 -0.050 0.000 0.658 197 V HN 1.739 nan 8.190 nan 0.000 0.455 198 A N 0.183 122.972 122.820 -0.052 0.000 1.865 198 A HA -0.305 4.014 4.320 -0.000 0.000 0.217 198 A C 2.417 179.967 177.584 -0.058 0.000 1.191 198 A CA 2.366 54.377 52.037 -0.044 0.000 0.623 198 A CB -0.602 18.383 19.000 -0.026 0.000 0.826 198 A HN 0.505 nan 8.150 nan 0.000 0.444 199 R N -0.427 120.036 120.500 -0.061 0.000 2.075 199 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 199 R C 1.997 178.224 176.300 -0.122 0.000 1.126 199 R CA 1.614 57.675 56.100 -0.065 0.000 0.963 199 R CB -0.386 29.887 30.300 -0.045 0.000 0.858 199 R HN 0.558 nan 8.270 nan 0.000 0.435 200 I N 0.738 121.189 120.570 -0.200 0.000 2.226 200 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 200 I C 2.530 178.453 176.117 -0.324 0.000 1.100 200 I CA 1.278 62.327 61.300 -0.419 0.000 1.374 200 I CB -0.388 37.308 38.000 -0.506 0.000 1.057 200 I HN 0.318 nan 8.210 nan 0.000 0.413 201 A N 0.445 123.156 122.820 -0.182 0.000 1.902 201 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 201 A C 2.226 179.771 177.584 -0.065 0.000 1.181 201 A CA 1.482 53.456 52.037 -0.106 0.000 0.623 201 A CB -0.411 18.549 19.000 -0.066 0.000 0.818 201 A HN 0.375 nan 8.150 nan 0.000 0.443 202 E N 0.132 120.297 120.200 -0.059 0.000 2.051 202 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 202 E C 1.878 178.476 176.600 -0.004 0.000 0.991 202 E CA 1.404 57.791 56.400 -0.022 0.000 0.799 202 E CB -0.451 29.239 29.700 -0.017 0.000 0.748 202 E HN 0.774 nan 8.360 nan 0.000 0.449 203 E N 0.581 120.765 120.200 -0.027 0.000 2.153 203 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 203 E C 2.241 178.896 176.600 0.091 0.000 0.988 203 E CA 0.792 57.214 56.400 0.037 0.000 0.811 203 E CB 0.062 29.787 29.700 0.042 0.000 0.746 203 E HN 0.010 nan 8.360 nan 0.000 0.466 204 V N 1.388 121.317 119.914 0.024 0.000 2.295 204 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 204 V C 2.277 178.447 176.094 0.127 0.000 1.049 204 V CA 1.484 63.846 62.300 0.103 0.000 1.024 204 V CB -0.382 31.465 31.823 0.040 0.000 0.648 204 V HN 0.281 nan 8.190 nan 0.000 0.447 205 L N -0.328 120.940 121.223 0.074 0.000 2.083 205 L HA -0.197 4.142 4.340 -0.000 0.000 0.209 205 L C 2.563 179.480 176.870 0.080 0.000 1.083 205 L CA 1.610 56.492 54.840 0.070 0.000 0.752 205 L CB -0.570 41.514 42.059 0.042 0.000 0.899 205 L HN 0.287 nan 8.230 nan 0.000 0.433 206 K N -0.080 120.373 120.400 0.089 0.000 2.001 206 K HA -0.239 4.080 4.320 -0.000 0.000 0.208 206 K C 2.199 178.870 176.600 0.118 0.000 1.048 206 K CA 1.547 57.888 56.287 0.089 0.000 0.932 206 K CB -0.334 32.219 32.500 0.088 0.000 0.715 206 K HN 0.200 nan 8.250 nan 0.000 0.437 207 H N -0.404 118.704 119.070 0.063 0.000 2.422 207 H HA 0.016 4.571 4.556 -0.000 0.000 0.298 207 H C 0.523 175.885 175.328 0.056 0.000 1.098 207 H CA 1.855 57.943 56.048 0.066 0.000 1.315 207 H CB 0.120 29.939 29.762 0.096 0.000 1.382 207 H HN 0.168 nan 8.280 nan 0.000 0.523 208 L N 2.019 123.291 121.223 0.080 0.000 3.062 208 L HA 0.158 4.497 4.340 -0.000 0.000 0.255 208 L C 0.159 177.043 176.870 0.024 0.000 1.274 208 L CA -0.456 54.399 54.840 0.026 0.000 1.047 208 L CB -0.011 42.104 42.059 0.093 0.000 1.402 208 L HN 0.337 nan 8.230 nan 0.000 0.550 209 Q N 0.210 120.019 119.800 0.015 0.000 2.369 209 Q HA 0.160 4.500 4.340 -0.000 0.000 0.295 209 Q C 1.064 177.071 176.000 0.011 0.000 1.075 209 Q CA 0.652 56.466 55.803 0.019 0.000 0.941 209 Q CB 0.419 29.167 28.738 0.017 0.000 1.260 209 Q HN 0.344 nan 8.270 nan 0.000 0.417 210 G N 1.949 110.760 108.800 0.018 0.000 2.196 210 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.268 210 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.268 210 G C -0.098 174.814 174.900 0.020 0.000 0.975 210 G CA 0.524 45.634 45.100 0.017 0.000 0.648 210 G HN 0.529 nan 8.290 nan 0.000 0.538 211 L N 1.464 122.702 121.223 0.025 0.000 2.331 211 L HA 0.541 4.881 4.340 -0.000 0.000 0.275 211 L C -1.787 175.108 176.870 0.042 0.000 1.022 211 L CA -2.514 52.344 54.840 0.030 0.000 0.812 211 L CB 1.937 44.014 42.059 0.030 0.000 1.257 211 L HN -0.106 nan 8.230 nan 0.000 0.435 212 P HA 0.245 nan 4.420 nan 0.000 0.275 212 P C -1.250 176.087 177.300 0.063 0.000 1.228 212 P CA -0.201 62.928 63.100 0.049 0.000 0.786 212 P CB 1.064 32.787 31.700 0.039 0.000 0.927 213 L N 2.640 123.905 121.223 0.069 0.000 2.329 213 L HA 0.429 4.768 4.340 -0.000 0.000 0.279 213 L C 0.658 177.578 176.870 0.084 0.000 1.014 213 L CA -0.786 54.107 54.840 0.088 0.000 0.814 213 L CB 1.459 43.569 42.059 0.084 0.000 1.257 213 L HN 0.511 nan 8.230 nan 0.000 0.424 214 H N 3.167 122.256 119.070 0.032 0.000 2.511 214 H HA 0.458 5.014 4.556 -0.000 0.000 0.328 214 H C -1.581 173.778 175.328 0.051 0.000 1.044 214 H CA -0.497 55.557 56.048 0.010 0.000 1.212 214 H CB 1.874 31.649 29.762 0.022 0.000 1.428 214 H HN 0.288 nan 8.280 nan 0.000 0.483 215 V N 4.683 124.366 119.914 -0.384 0.000 2.370 215 V HA 0.139 4.259 4.120 -0.000 0.000 0.283 215 V C 0.390 176.302 176.094 -0.304 0.000 1.023 215 V CA -0.531 61.657 62.300 -0.187 0.000 0.857 215 V CB 1.350 33.111 31.823 -0.102 0.000 0.985 215 V HN 0.762 nan 8.190 nan 0.000 0.443 216 S N 5.417 121.055 115.700 -0.103 0.000 2.520 216 S HA 0.567 5.037 4.470 -0.000 0.000 0.324 216 S C -0.824 173.606 174.600 -0.284 0.000 1.069 216 S CA -0.493 57.593 58.200 -0.190 0.000 1.121 216 S CB 0.497 63.530 63.200 -0.278 0.000 0.971 216 S HN 0.567 nan 8.310 nan 0.000 0.463 217 L N 5.641 126.703 121.223 -0.269 0.000 2.262 217 L HA 0.558 4.898 4.340 -0.000 0.000 0.288 217 L C -0.462 176.219 176.870 -0.315 0.000 1.035 217 L CA -0.142 54.554 54.840 -0.240 0.000 0.820 217 L CB 1.173 43.127 42.059 -0.175 0.000 1.204 217 L HN 0.522 nan 8.230 nan 0.000 0.424 218 D N 3.745 123.970 120.400 -0.292 0.000 2.232 218 D HA 0.291 4.931 4.640 -0.000 0.000 0.242 218 D C 0.845 177.062 176.300 -0.138 0.000 1.093 218 D CA 0.244 54.076 54.000 -0.280 0.000 0.845 218 D CB 2.273 42.988 40.800 -0.141 0.000 1.124 218 D HN 0.724 nan 8.370 nan 0.000 0.467 219 A N 3.873 126.618 122.820 -0.125 0.000 2.024 219 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 219 A C 1.440 179.006 177.584 -0.030 0.000 1.164 219 A CA 1.746 53.739 52.037 -0.073 0.000 0.643 219 A CB -0.327 18.636 19.000 -0.063 0.000 0.806 219 A HN 0.698 nan 8.150 nan 0.000 0.451 220 D N -0.575 119.823 120.400 -0.003 0.000 2.378 220 D HA -0.035 4.604 4.640 -0.000 0.000 0.227 220 D C 1.255 177.565 176.300 0.018 0.000 1.012 220 D CA 0.808 54.828 54.000 0.033 0.000 0.905 220 D CB -0.579 40.285 40.800 0.106 0.000 0.895 220 D HN 0.178 nan 8.370 nan 0.000 0.532 221 V N -0.070 119.845 119.914 0.002 0.000 2.667 221 V HA 0.038 4.158 4.120 -0.000 0.000 0.252 221 V C 1.038 177.129 176.094 -0.006 0.000 1.065 221 V CA 0.508 62.807 62.300 -0.001 0.000 1.083 221 V CB -0.277 31.544 31.823 -0.004 0.000 0.692 221 V HN 0.192 nan 8.190 nan 0.000 0.468 222 L N 1.038 122.256 121.223 -0.008 0.000 2.452 222 L HA 0.230 4.570 4.340 -0.000 0.000 0.267 222 L C 0.314 177.192 176.870 0.013 0.000 1.188 222 L CA -0.056 54.785 54.840 0.003 0.000 0.821 222 L CB 0.138 42.201 42.059 0.006 0.000 1.102 222 L HN 0.189 nan 8.230 nan 0.000 0.470 223 D N 2.095 122.509 120.400 0.022 0.000 2.443 223 D HA 0.022 4.661 4.640 -0.000 0.000 0.239 223 D C -1.657 174.657 176.300 0.023 0.000 1.136 223 D CA -0.871 53.142 54.000 0.022 0.000 0.879 223 D CB 1.143 41.958 40.800 0.026 0.000 1.195 223 D HN 0.221 nan 8.370 nan 0.000 0.443 224 P HA -0.160 nan 4.420 nan 0.000 0.217 224 P C 1.210 178.522 177.300 0.019 0.000 1.148 224 P CA 1.078 64.191 63.100 0.021 0.000 0.828 224 P CB 0.090 31.803 31.700 0.021 0.000 0.783 225 T N -1.825 112.740 114.554 0.018 0.000 2.929 225 T HA -0.106 4.243 4.350 -0.000 0.000 0.271 225 T C 1.430 176.139 174.700 0.016 0.000 1.085 225 T CA 0.841 62.950 62.100 0.014 0.000 1.125 225 T CB -0.457 68.419 68.868 0.013 0.000 0.874 225 T HN -0.097 nan 8.240 nan 0.000 0.494 226 L N -0.193 121.045 121.223 0.026 0.000 2.425 226 L HA 0.597 4.937 4.340 -0.000 0.000 0.215 226 L C 0.901 177.794 176.870 0.037 0.000 1.065 226 L CA 0.549 55.412 54.840 0.038 0.000 0.842 226 L CB 0.174 42.272 42.059 0.065 0.000 1.033 226 L HN 0.148 nan 8.230 nan 0.000 0.474 227 A N -0.023 122.814 122.820 0.029 0.000 2.893 227 A HA 0.544 4.863 4.320 -0.000 0.000 0.333 227 A C -2.068 175.525 177.584 0.015 0.000 1.152 227 A CA -0.781 51.269 52.037 0.021 0.000 0.782 227 A CB 0.067 19.077 19.000 0.017 0.000 1.108 227 A HN 0.119 nan 8.150 nan 0.000 0.469 228 P HA -0.049 nan 4.420 nan 0.000 0.222 228 P C 1.106 178.411 177.300 0.007 0.000 1.153 228 P CA 1.100 64.206 63.100 0.011 0.000 0.798 228 P CB 0.109 31.814 31.700 0.008 0.000 0.796 229 G N 1.481 110.283 108.800 0.003 0.000 3.090 229 G HA2 0.336 4.296 3.960 -0.000 0.000 0.259 229 G HA3 0.336 4.296 3.960 -0.000 0.000 0.259 229 G C 0.167 175.063 174.900 -0.008 0.000 0.797 229 G CA -0.048 45.051 45.100 -0.003 0.000 2.032 229 G HN 0.305 nan 8.290 nan 0.000 0.614 230 V N -2.070 117.843 119.914 -0.002 0.000 2.971 230 V HA 0.836 4.956 4.120 -0.000 0.000 0.309 230 V C 1.030 177.126 176.094 0.002 0.000 1.130 230 V CA -0.168 62.130 62.300 -0.003 0.000 0.964 230 V CB 1.424 33.255 31.823 0.014 0.000 1.029 230 V HN 0.243 nan 8.190 nan 0.000 0.427 231 G N 1.902 110.694 108.800 -0.015 0.000 2.402 231 G HA2 0.037 3.997 3.960 -0.000 0.000 0.216 231 G HA3 0.037 3.997 3.960 -0.000 0.000 0.216 231 G C 0.648 175.556 174.900 0.014 0.000 1.162 231 G CA 1.265 46.355 45.100 -0.017 0.000 0.777 231 G HN 0.928 nan 8.290 nan 0.000 0.539 232 T N 2.999 117.580 114.554 0.045 0.000 3.331 232 T HA 0.401 4.750 4.350 -0.000 0.000 0.381 232 T C -2.678 172.123 174.700 0.169 0.000 1.656 232 T CA -0.990 61.174 62.100 0.106 0.000 1.453 232 T CB 1.931 70.851 68.868 0.087 0.000 1.066 232 T HN 0.110 nan 8.240 nan 0.000 0.655 233 P HA 0.322 nan 4.420 nan 0.000 0.271 233 P C -0.810 176.537 177.300 0.077 0.000 1.216 233 P CA -0.265 62.881 63.100 0.078 0.000 0.776 233 P CB 1.158 32.887 31.700 0.048 0.000 0.881 234 V N 4.697 124.639 119.914 0.047 0.000 2.569 234 V HA 0.295 4.414 4.120 -0.000 0.000 0.301 234 V C -2.045 174.056 176.094 0.011 0.000 1.044 234 V CA -1.998 60.316 62.300 0.023 0.000 0.874 234 V CB 1.853 33.659 31.823 -0.029 0.000 1.002 234 V HN 0.561 nan 8.190 nan 0.000 0.424 235 P HA 0.189 nan 4.420 nan 0.000 0.270 235 P C 0.665 177.972 177.300 0.011 0.000 1.223 235 P CA 0.994 64.103 63.100 0.015 0.000 0.785 235 P CB 0.826 32.537 31.700 0.018 0.000 0.923 236 G N 0.215 109.023 108.800 0.013 0.000 2.248 236 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.263 236 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.263 236 G C 0.399 175.306 174.900 0.011 0.000 1.082 236 G CA -0.219 44.889 45.100 0.014 0.000 0.863 236 G HN 0.876 nan 8.290 nan 0.000 0.495 237 G N -1.281 107.525 108.800 0.011 0.000 2.583 237 G HA2 0.716 4.676 3.960 -0.000 0.000 0.280 237 G HA3 0.716 4.676 3.960 -0.000 0.000 0.280 237 G C 0.501 175.409 174.900 0.013 0.000 1.376 237 G CA -1.178 43.927 45.100 0.009 0.000 1.043 237 G HN 0.650 nan 8.290 nan 0.000 0.538 238 L N 0.652 121.881 121.223 0.010 0.000 2.439 238 L HA 0.265 4.604 4.340 -0.000 0.000 0.269 238 L C 1.454 178.341 176.870 0.029 0.000 1.179 238 L CA -0.516 54.330 54.840 0.011 0.000 0.828 238 L CB 0.845 42.900 42.059 -0.007 0.000 1.106 238 L HN 0.710 nan 8.230 nan 0.000 0.467 239 T N -1.729 112.850 114.554 0.042 0.000 2.816 239 T HA 0.057 4.407 4.350 -0.000 0.000 0.282 239 T C 0.877 175.651 174.700 0.124 0.000 0.993 239 T CA -0.313 61.837 62.100 0.084 0.000 0.994 239 T CB 0.681 69.599 68.868 0.084 0.000 1.025 239 T HN 0.531 nan 8.240 nan 0.000 0.529 240 Y N 1.408 121.734 120.300 0.042 0.000 2.128 240 Y HA -0.132 4.418 4.550 -0.000 0.000 0.284 240 Y C 2.787 178.782 175.900 0.159 0.000 1.154 240 Y CA 1.609 59.765 58.100 0.094 0.000 1.149 240 Y CB -0.194 38.324 38.460 0.096 0.000 0.976 240 Y HN 0.612 nan 8.280 nan 0.000 0.505 241 R N 0.134 120.788 120.500 0.256 0.000 2.081 241 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 241 R C 2.225 178.555 176.300 0.051 0.000 1.131 241 R CA 1.794 57.977 56.100 0.139 0.000 0.960 241 R CB -0.273 30.116 30.300 0.149 0.000 0.856 241 R HN 0.506 nan 8.270 nan 0.000 0.436 242 E N 0.341 120.562 120.200 0.034 0.000 2.072 242 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 242 E C 2.059 178.633 176.600 -0.044 0.000 0.985 242 E CA 1.116 57.515 56.400 -0.002 0.000 0.801 242 E CB -0.089 29.610 29.700 -0.001 0.000 0.750 242 E HN 0.357 nan 8.360 nan 0.000 0.452 243 A N 1.355 124.125 122.820 -0.084 0.000 1.902 243 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 243 A C 1.912 179.350 177.584 -0.244 0.000 1.181 243 A CA 1.415 53.349 52.037 -0.172 0.000 0.623 243 A CB -0.699 18.163 19.000 -0.230 0.000 0.818 243 A HN 0.279 nan 8.150 nan 0.000 0.443 244 H N -1.248 117.696 119.070 -0.209 0.000 2.389 244 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 244 H C 2.117 177.377 175.328 -0.114 0.000 1.081 244 H CA 1.779 57.706 56.048 -0.201 0.000 1.345 244 H CB -0.301 29.285 29.762 -0.294 0.000 1.393 244 H HN 0.430 nan 8.280 nan 0.000 0.520 245 L N 0.950 122.185 121.223 0.019 0.000 2.046 245 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 245 L C 2.417 179.275 176.870 -0.020 0.000 1.077 245 L CA 1.158 56.001 54.840 0.004 0.000 0.747 245 L CB -0.815 41.244 42.059 0.000 0.000 0.896 245 L HN 0.112 nan 8.230 nan 0.000 0.432 246 L N -0.899 120.298 121.223 -0.043 0.000 2.012 246 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 246 L C 2.363 179.206 176.870 -0.044 0.000 1.073 246 L CA 2.005 56.816 54.840 -0.049 0.000 0.748 246 L CB -0.589 41.433 42.059 -0.062 0.000 0.891 246 L HN 0.271 nan 8.230 nan 0.000 0.431 247 M N -0.630 118.932 119.600 -0.063 0.000 2.108 247 M HA -0.205 4.274 4.480 -0.000 0.000 0.261 247 M C 2.178 178.466 176.300 -0.020 0.000 1.066 247 M CA 1.681 56.948 55.300 -0.055 0.000 1.107 247 M CB -1.293 31.249 32.600 -0.097 0.000 1.356 247 M HN 0.393 nan 8.290 nan 0.000 0.406 248 E N 0.240 120.436 120.200 -0.005 0.000 2.072 248 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 248 E C 2.105 178.708 176.600 0.004 0.000 0.985 248 E CA 1.038 57.443 56.400 0.009 0.000 0.801 248 E CB -0.149 29.563 29.700 0.020 0.000 0.750 248 E HN 0.468 nan 8.360 nan 0.000 0.452 249 I N 1.014 121.583 120.570 -0.002 0.000 2.315 249 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 249 I C 2.298 178.417 176.117 0.004 0.000 1.117 249 I CA 0.919 62.218 61.300 -0.002 0.000 1.404 249 I CB -0.183 37.809 38.000 -0.012 0.000 1.071 249 I HN 0.118 nan 8.210 nan 0.000 0.419 250 L N 0.515 121.741 121.223 0.003 0.000 2.083 250 L HA -0.181 4.158 4.340 -0.000 0.000 0.209 250 L C 2.876 179.762 176.870 0.027 0.000 1.083 250 L CA 1.256 56.106 54.840 0.017 0.000 0.752 250 L CB -0.717 41.351 42.059 0.015 0.000 0.899 250 L HN 0.233 nan 8.230 nan 0.000 0.433 251 A N 0.049 122.881 122.820 0.020 0.000 1.902 251 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 251 A C 2.127 179.727 177.584 0.027 0.000 1.181 251 A CA 1.598 53.650 52.037 0.026 0.000 0.623 251 A CB -0.455 18.554 19.000 0.015 0.000 0.818 251 A HN 0.451 nan 8.150 nan 0.000 0.443 252 E N 0.377 120.587 120.200 0.018 0.000 2.160 252 E HA -0.193 4.156 4.350 -0.000 0.000 0.195 252 E C 2.265 178.876 176.600 0.018 0.000 0.991 252 E CA 1.416 57.824 56.400 0.013 0.000 0.810 252 E CB -0.249 29.454 29.700 0.006 0.000 0.742 252 E HN 0.828 nan 8.360 nan 0.000 0.466 253 S N -0.259 115.456 115.700 0.025 0.000 2.399 253 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 253 S C 1.873 176.495 174.600 0.037 0.000 1.022 253 S CA 0.959 59.177 58.200 0.030 0.000 0.983 253 S CB -0.355 62.866 63.200 0.036 0.000 0.803 253 S HN 0.427 nan 8.310 nan 0.000 0.480 254 G N 1.367 110.194 108.800 0.045 0.000 2.155 254 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 254 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 254 G C 0.802 175.745 174.900 0.071 0.000 0.983 254 G CA 0.471 45.604 45.100 0.056 0.000 0.676 254 G HN 0.585 nan 8.290 nan 0.000 0.528 255 R N -0.721 119.821 120.500 0.071 0.000 2.362 255 R HA 0.289 4.629 4.340 -0.000 0.000 0.227 255 R C 0.752 177.108 176.300 0.094 0.000 0.905 255 R CA 0.047 56.192 56.100 0.075 0.000 1.067 255 R CB 0.858 31.194 30.300 0.059 0.000 1.078 255 R HN 0.313 nan 8.270 nan 0.000 0.516 256 V N 2.811 122.800 119.914 0.125 0.000 2.521 256 V HA -0.052 4.068 4.120 -0.000 0.000 0.286 256 V C 1.156 177.391 176.094 0.236 0.000 1.034 256 V CA 0.438 62.836 62.300 0.163 0.000 1.045 256 V CB 1.261 33.204 31.823 0.200 0.000 0.974 256 V HN 0.391 nan 8.190 nan 0.000 0.480 257 Q N 3.539 123.356 119.800 0.027 0.000 2.280 257 Q HA 0.298 4.638 4.340 -0.000 0.000 0.244 257 Q C 0.364 175.816 176.000 -0.913 0.000 0.847 257 Q CA 0.208 55.899 55.803 -0.187 0.000 0.945 257 Q CB 0.930 29.617 28.738 -0.085 0.000 1.115 257 Q HN 0.720 nan 8.270 nan 0.000 0.513 258 S N -0.187 114.991 115.700 -0.869 0.000 2.565 258 S HA 0.722 5.191 4.470 -0.000 0.000 0.269 258 S C -1.563 172.652 174.600 -0.642 0.000 1.153 258 S CA -0.957 56.650 58.200 -0.988 0.000 0.835 258 S CB 1.962 64.969 63.200 -0.322 0.000 1.122 258 S HN 0.304 nan 8.310 nan 0.000 0.462 259 L N 0.699 121.674 121.223 -0.414 0.000 2.472 259 L HA 0.764 5.104 4.340 -0.000 0.000 0.260 259 L C -2.226 174.546 176.870 -0.164 0.000 0.963 259 L CA -0.200 54.487 54.840 -0.256 0.000 0.829 259 L CB 2.149 44.244 42.059 0.060 0.000 1.348 259 L HN 0.815 nan 8.230 nan 0.000 0.408 260 D N 5.123 125.411 120.400 -0.188 0.000 2.362 260 D HA 0.533 5.173 4.640 -0.000 0.000 0.247 260 D C -0.869 175.336 176.300 -0.158 0.000 1.050 260 D CA 0.121 54.056 54.000 -0.109 0.000 0.839 260 D CB 2.574 43.333 40.800 -0.067 0.000 1.283 260 D HN 0.495 nan 8.370 nan 0.000 0.477 261 L N 2.188 123.327 121.223 -0.140 0.000 2.366 261 L HA 0.378 4.718 4.340 -0.000 0.000 0.266 261 L C 0.017 176.782 176.870 -0.174 0.000 1.010 261 L CA -0.862 53.887 54.840 -0.151 0.000 0.879 261 L CB 1.265 43.263 42.059 -0.102 0.000 1.228 261 L HN 0.169 nan 8.230 nan 0.000 0.439 262 V N -1.047 118.708 119.914 -0.266 0.000 3.166 262 V HA 0.629 4.749 4.120 -0.000 0.000 0.317 262 V C 0.448 176.396 176.094 -0.242 0.000 1.136 262 V CA -0.577 61.552 62.300 -0.284 0.000 1.035 262 V CB 1.891 33.430 31.823 -0.473 0.000 1.110 262 V HN 0.731 nan 8.190 nan 0.000 0.450 263 E N -1.174 118.911 120.200 -0.191 0.000 3.170 263 E HA -0.162 4.188 4.350 -0.000 0.000 0.284 263 E C 0.031 176.576 176.600 -0.093 0.000 0.967 263 E CA 0.952 57.270 56.400 -0.136 0.000 0.919 263 E CB -1.722 27.899 29.700 -0.131 0.000 1.469 263 E HN 0.725 nan 8.360 nan 0.000 0.444 264 V N 1.946 121.809 119.914 -0.084 0.000 2.521 264 V HA 0.135 4.254 4.120 -0.000 0.000 0.286 264 V C 0.804 176.872 176.094 -0.042 0.000 1.034 264 V CA 0.003 62.271 62.300 -0.053 0.000 1.045 264 V CB 1.166 32.963 31.823 -0.043 0.000 0.974 264 V HN 0.137 nan 8.190 nan 0.000 0.480 265 N N 7.591 126.272 118.700 -0.032 0.000 2.623 265 N HA 0.338 5.078 4.740 -0.000 0.000 0.256 265 N C -1.548 173.952 175.510 -0.015 0.000 1.045 265 N CA -2.018 51.016 53.050 -0.026 0.000 0.863 265 N CB 2.304 40.774 38.487 -0.029 0.000 1.182 265 N HN 0.258 nan 8.380 nan 0.000 0.523 266 P HA -0.099 nan 4.420 nan 0.000 0.222 266 P C 1.429 178.723 177.300 -0.011 0.000 1.147 266 P CA 0.474 63.569 63.100 -0.008 0.000 0.790 266 P CB 0.696 32.395 31.700 -0.003 0.000 0.780 267 I N -0.717 119.846 120.570 -0.011 0.000 2.614 267 I HA -0.124 4.046 4.170 -0.000 0.000 0.258 267 I C 2.201 178.313 176.117 -0.008 0.000 1.189 267 I CA 1.324 62.617 61.300 -0.011 0.000 1.462 267 I CB -0.734 37.260 38.000 -0.010 0.000 1.092 267 I HN -0.105 nan 8.210 nan 0.000 0.442 268 L N -1.258 119.960 121.223 -0.008 0.000 2.766 268 L HA 0.194 4.533 4.340 -0.000 0.000 0.242 268 L C 0.545 177.413 176.870 -0.004 0.000 1.136 268 L CA -0.226 54.611 54.840 -0.004 0.000 0.933 268 L CB -0.020 42.038 42.059 -0.002 0.000 1.241 268 L HN 0.035 nan 8.230 nan 0.000 0.522 269 D N 1.199 121.596 120.400 -0.006 0.000 2.411 269 D HA 0.179 4.819 4.640 -0.000 0.000 0.251 269 D C -0.299 175.997 176.300 -0.006 0.000 1.201 269 D CA -0.017 53.980 54.000 -0.005 0.000 0.996 269 D CB 0.905 41.702 40.800 -0.005 0.000 1.101 269 D HN 0.052 nan 8.370 nan 0.000 0.504 270 E N 1.190 121.387 120.200 -0.005 0.000 2.220 270 E HA 0.306 4.656 4.350 -0.000 0.000 0.256 270 E C -0.338 176.257 176.600 -0.009 0.000 0.881 270 E CA -0.697 55.698 56.400 -0.008 0.000 0.766 270 E CB 1.497 31.194 29.700 -0.006 0.000 1.187 270 E HN 0.291 nan 8.360 nan 0.000 0.419 271 R N 2.195 122.686 120.500 -0.015 0.000 3.641 271 R HA -0.253 4.087 4.340 -0.000 0.000 0.286 271 R C 0.033 176.327 176.300 -0.011 0.000 1.153 271 R CA 0.756 56.846 56.100 -0.017 0.000 0.775 271 R CB -2.378 27.913 30.300 -0.014 0.000 1.215 271 R HN 0.935 nan 8.270 nan 0.000 0.474 272 N N -0.120 118.575 118.700 -0.008 0.000 2.753 272 N HA -0.253 4.487 4.740 -0.000 0.000 0.251 272 N C 1.274 176.792 175.510 0.013 0.000 1.097 272 N CA 1.883 54.935 53.050 0.003 0.000 0.786 272 N CB -0.422 38.068 38.487 0.005 0.000 1.137 272 N HN 0.777 nan 8.380 nan 0.000 0.566 273 R N -2.218 118.288 120.500 0.011 0.000 2.152 273 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 273 R C 1.398 177.716 176.300 0.030 0.000 1.117 273 R CA 1.790 57.902 56.100 0.021 0.000 0.981 273 R CB -0.720 29.588 30.300 0.014 0.000 0.870 273 R HN 0.195 nan 8.270 nan 0.000 0.451 274 T N 1.097 115.663 114.554 0.019 0.000 2.812 274 T HA 0.018 4.368 4.350 -0.000 0.000 0.264 274 T C 2.074 176.780 174.700 0.011 0.000 1.042 274 T CA 1.334 63.444 62.100 0.016 0.000 1.140 274 T CB -0.153 68.717 68.868 0.003 0.000 0.870 274 T HN 0.500 nan 8.240 nan 0.000 0.445 275 A N 1.748 124.576 122.820 0.012 0.000 1.898 275 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 275 A C 2.178 179.775 177.584 0.022 0.000 1.181 275 A CA 1.427 53.471 52.037 0.011 0.000 0.620 275 A CB -0.477 18.538 19.000 0.024 0.000 0.819 275 A HN 0.559 nan 8.150 nan 0.000 0.442 276 E N -0.673 119.549 120.200 0.037 0.000 2.110 276 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 276 E C 2.055 178.699 176.600 0.073 0.000 0.988 276 E CA 1.154 57.585 56.400 0.053 0.000 0.804 276 E CB -0.254 29.479 29.700 0.056 0.000 0.745 276 E HN 0.484 nan 8.360 nan 0.000 0.458 277 M N 0.245 119.890 119.600 0.076 0.000 2.065 277 M HA -0.167 4.312 4.480 -0.000 0.000 0.259 277 M C 2.362 178.670 176.300 0.014 0.000 1.069 277 M CA 1.259 56.618 55.300 0.097 0.000 1.110 277 M CB -0.692 31.958 32.600 0.084 0.000 1.328 277 M HN 0.160 nan 8.290 nan 0.000 0.405 278 L N -0.486 120.726 121.223 -0.019 0.000 2.083 278 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 278 L C 2.495 179.333 176.870 -0.053 0.000 1.083 278 L CA 1.120 55.924 54.840 -0.061 0.000 0.752 278 L CB -1.016 41.004 42.059 -0.065 0.000 0.899 278 L HN 0.047 nan 8.230 nan 0.000 0.433 279 V N -0.442 119.462 119.914 -0.017 0.000 2.343 279 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 279 V C 2.524 178.621 176.094 0.005 0.000 1.051 279 V CA 1.877 64.170 62.300 -0.010 0.000 1.036 279 V CB -1.350 30.478 31.823 0.009 0.000 0.654 279 V HN 0.581 nan 8.190 nan 0.000 0.451 280 G N -0.359 108.469 108.800 0.046 0.000 2.422 280 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 280 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 280 G C 1.569 176.516 174.900 0.078 0.000 1.146 280 G CA 0.816 45.990 45.100 0.123 0.000 0.769 280 G HN 0.476 nan 8.290 nan 0.000 0.547 281 L N 0.563 121.712 121.223 -0.124 0.000 2.093 281 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 281 L C 3.372 180.161 176.870 -0.135 0.000 1.085 281 L CA 0.821 55.496 54.840 -0.276 0.000 0.755 281 L CB -0.360 41.498 42.059 -0.335 0.000 0.904 281 L HN 0.299 nan 8.230 nan 0.000 0.435 282 A N 0.382 123.144 122.820 -0.097 0.000 1.902 282 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 282 A C 2.250 179.778 177.584 -0.094 0.000 1.181 282 A CA 1.332 53.313 52.037 -0.094 0.000 0.623 282 A CB -0.641 18.307 19.000 -0.087 0.000 0.818 282 A HN 0.351 nan 8.150 nan 0.000 0.443 283 L N -0.550 120.644 121.223 -0.048 0.000 2.046 283 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 283 L C 2.843 179.713 176.870 0.001 0.000 1.077 283 L CA 1.503 56.332 54.840 -0.019 0.000 0.747 283 L CB -0.582 41.491 42.059 0.023 0.000 0.896 283 L HN 0.317 nan 8.230 nan 0.000 0.432 284 S N 0.143 115.857 115.700 0.024 0.000 2.368 284 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 284 S C 1.860 176.457 174.600 -0.004 0.000 1.030 284 S CA 1.198 59.422 58.200 0.041 0.000 0.999 284 S CB -0.327 62.938 63.200 0.109 0.000 0.844 284 S HN 0.247 nan 8.310 nan 0.000 0.459 285 L N 0.897 122.095 121.223 -0.042 0.000 2.191 285 L HA 0.085 4.425 4.340 -0.000 0.000 0.212 285 L C 1.200 178.028 176.870 -0.071 0.000 1.103 285 L CA 1.488 56.300 54.840 -0.047 0.000 0.769 285 L CB -0.353 41.674 42.059 -0.053 0.000 0.908 285 L HN 0.190 nan 8.230 nan 0.000 0.438 286 L N -0.224 120.930 121.223 -0.115 0.000 2.653 286 L HA 0.389 4.729 4.340 -0.000 0.000 0.232 286 L C 1.468 178.373 176.870 0.057 0.000 1.169 286 L CA 0.792 55.547 54.840 -0.141 0.000 0.951 286 L CB -0.220 41.615 42.059 -0.373 0.000 1.181 286 L HN 0.393 nan 8.230 nan 0.000 0.460 287 G N -1.289 107.530 108.800 0.032 0.000 2.231 287 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.206 287 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.206 287 G C 0.613 175.534 174.900 0.035 0.000 0.996 287 G CA -0.118 45.007 45.100 0.041 0.000 0.645 287 G HN 0.280 nan 8.290 nan 0.000 0.498 288 K N 1.106 121.531 120.400 0.042 0.000 2.447 288 K HA 0.461 4.780 4.320 -0.000 0.000 0.281 288 K C 0.375 176.995 176.600 0.033 0.000 1.031 288 K CA 0.295 56.603 56.287 0.037 0.000 1.019 288 K CB 0.155 32.678 32.500 0.039 0.000 0.918 288 K HN 0.411 nan 8.250 nan 0.000 0.476 289 R N 3.574 124.095 120.500 0.035 0.000 2.771 289 R HA 0.282 4.621 4.340 -0.000 0.000 0.274 289 R C 0.915 177.248 176.300 0.055 0.000 0.987 289 R CA -0.697 55.429 56.100 0.045 0.000 0.908 289 R CB 1.007 31.339 30.300 0.053 0.000 1.213 289 R HN 0.569 nan 8.270 nan 0.000 0.468 290 I N 0.590 121.195 120.570 0.058 0.000 2.252 290 I HA -0.097 4.072 4.170 -0.000 0.000 0.245 290 I C 0.747 176.928 176.117 0.106 0.000 1.102 290 I CA 1.654 62.983 61.300 0.047 0.000 1.385 290 I CB 0.175 38.194 38.000 0.032 0.000 1.064 290 I HN 0.333 nan 8.210 nan 0.000 0.414 291 F N 0.000 119.942 119.950 -0.013 0.000 2.286 291 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 291 F CA 0.000 57.993 58.000 -0.012 0.000 1.383 291 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574