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 1yue_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKINELLRES TTTNSNSIGR PNLVALTRAT TKLIYSDIVA TQRTNQPVAA DATA SEQUENCE FYGIKYLNPD NXXXXXXXXX XXXXXXXXXX EQITELTEES KLTLNKGDLF DATA SEQUENCE KYNNIVYKVL EDTPFATIEE SDLELALQIA IVLLKVRLFS DXXXXXXXXX DATA SEQUENCE XXXEIADARF QINKWQTAVK SRKLKTGITV ELAQDLEANG FDAPNFLEDL DATA SEQUENCE LATEXADEIN KDILQSLITV SKRYKVTGIT DSGFIDLSYA SAPEAGRSLY DATA SEQUENCE RXVCEXVSHI QKESTYTATF CVASARAAAI LAASGWLKHK PEDDKYLSQN DATA SEQUENCE AYGFLANGLP LYCDTNSPLD YVIVGVVENI GEKEIVGSIF YAPYTEGLDL DATA SEQUENCE DDPEHVGAFK VVVDPESLQP SIGLLVRYAL SANPYTVAKD EKEARIIDGG DATA SEQUENCE DXDKXAGRSD LSVLLGVKLP K 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.596 177.584 0.021 0.000 1.274 2 A CA 0.000 52.050 52.037 0.022 0.000 0.836 2 A CB 0.000 19.014 19.000 0.023 0.000 0.831 3 K N 0.578 120.991 120.400 0.022 0.000 2.015 3 K HA -0.190 4.130 4.320 -0.000 0.000 0.216 3 K C 1.579 178.187 176.600 0.014 0.000 1.052 3 K CA 2.651 58.948 56.287 0.017 0.000 0.937 3 K CB -0.477 32.033 32.500 0.017 0.000 0.719 3 K HN 0.890 nan 8.250 nan 0.000 0.446 4 I N 1.479 122.057 120.570 0.013 0.000 2.151 4 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 4 I C 1.424 177.549 176.117 0.013 0.000 1.080 4 I CA 1.699 63.005 61.300 0.010 0.000 1.339 4 I CB -0.619 37.388 38.000 0.012 0.000 1.039 4 I HN 0.306 nan 8.210 nan 0.000 0.409 5 N N 0.762 119.472 118.700 0.016 0.000 2.039 5 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 5 N C 1.805 177.324 175.510 0.017 0.000 1.044 5 N CA 1.944 55.004 53.050 0.016 0.000 0.847 5 N CB -0.551 37.945 38.487 0.016 0.000 1.030 5 N HN 0.539 nan 8.380 nan 0.000 0.422 6 E N 0.849 121.060 120.200 0.017 0.000 2.160 6 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 6 E C 2.086 178.698 176.600 0.021 0.000 0.991 6 E CA 0.477 56.888 56.400 0.018 0.000 0.810 6 E CB -0.114 29.597 29.700 0.019 0.000 0.742 6 E HN 0.304 nan 8.360 nan 0.000 0.466 7 L N 0.396 121.631 121.223 0.020 0.000 2.093 7 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 7 L C 2.208 179.093 176.870 0.025 0.000 1.085 7 L CA 0.476 55.330 54.840 0.023 0.000 0.755 7 L CB -0.158 41.912 42.059 0.017 0.000 0.904 7 L HN 0.239 nan 8.230 nan 0.000 0.435 8 L N -0.373 120.862 121.223 0.020 0.000 2.072 8 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 8 L C 2.615 179.497 176.870 0.020 0.000 1.079 8 L CA 1.662 56.514 54.840 0.020 0.000 0.752 8 L CB -1.075 40.994 42.059 0.016 0.000 0.906 8 L HN 0.292 nan 8.230 nan 0.000 0.436 9 R N -0.350 120.161 120.500 0.019 0.000 2.193 9 R HA -0.089 4.251 4.340 -0.000 0.000 0.213 9 R C 1.976 178.289 176.300 0.022 0.000 1.055 9 R CA 0.582 56.693 56.100 0.019 0.000 0.995 9 R CB 0.083 30.393 30.300 0.016 0.000 0.893 9 R HN 0.503 nan 8.270 nan 0.000 0.459 10 E N 0.070 120.285 120.200 0.025 0.000 2.086 10 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 10 E C 1.788 178.409 176.600 0.034 0.000 0.975 10 E CA 0.748 57.166 56.400 0.030 0.000 0.813 10 E CB 0.144 29.865 29.700 0.034 0.000 0.768 10 E HN 0.101 nan 8.360 nan 0.000 0.457 11 S N 0.377 116.098 115.700 0.036 0.000 2.442 11 S HA -0.133 4.337 4.470 -0.000 0.000 0.236 11 S C 1.994 176.613 174.600 0.030 0.000 1.007 11 S CA 1.104 59.327 58.200 0.039 0.000 0.965 11 S CB -0.202 63.022 63.200 0.040 0.000 0.773 11 S HN 0.249 nan 8.310 nan 0.000 0.504 12 T N 1.776 116.345 114.554 0.024 0.000 2.951 12 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 12 T C 1.089 175.800 174.700 0.019 0.000 1.073 12 T CA 1.196 63.306 62.100 0.018 0.000 1.134 12 T CB -0.320 68.557 68.868 0.015 0.000 0.884 12 T HN 0.638 nan 8.240 nan 0.000 0.479 13 T N 1.768 116.336 114.554 0.023 0.000 2.897 13 T HA 0.474 4.824 4.350 -0.000 0.000 0.294 13 T C 0.217 174.936 174.700 0.031 0.000 1.004 13 T CA -0.631 61.484 62.100 0.024 0.000 1.106 13 T CB 1.177 70.059 68.868 0.024 0.000 0.949 13 T HN 0.277 nan 8.240 nan 0.000 0.520 14 T N 0.968 115.540 114.554 0.030 0.000 2.944 14 T HA 0.488 4.838 4.350 -0.000 0.000 0.284 14 T C 0.097 174.822 174.700 0.041 0.000 1.010 14 T CA -0.800 61.325 62.100 0.041 0.000 1.025 14 T CB 0.595 69.484 68.868 0.035 0.000 1.079 14 T HN 1.090 nan 8.240 nan 0.000 0.516 15 N N 0.827 119.557 118.700 0.050 0.000 2.438 15 N HA -0.199 4.541 4.740 -0.000 0.000 0.295 15 N C 0.043 175.572 175.510 0.032 0.000 1.416 15 N CA 0.696 53.768 53.050 0.036 0.000 0.646 15 N CB -0.857 37.645 38.487 0.026 0.000 0.955 15 N HN 0.897 nan 8.380 nan 0.000 0.502 16 S N 2.115 117.837 115.700 0.036 0.000 3.811 16 S HA 0.183 4.653 4.470 -0.000 0.000 0.205 16 S C 0.765 175.383 174.600 0.029 0.000 1.445 16 S CA -0.321 57.901 58.200 0.036 0.000 1.097 16 S CB 0.144 63.373 63.200 0.047 0.000 1.350 16 S HN 0.666 nan 8.310 nan 0.000 0.471 17 N N 0.600 119.313 118.700 0.022 0.000 2.036 17 N HA 0.020 4.760 4.740 -0.000 0.000 0.228 17 N C 1.027 176.545 175.510 0.013 0.000 1.368 17 N CA 0.785 53.845 53.050 0.016 0.000 0.846 17 N CB 0.663 39.159 38.487 0.014 0.000 1.145 17 N HN 0.535 nan 8.380 nan 0.000 0.502 18 S N -0.149 115.560 115.700 0.015 0.000 2.371 18 S HA 0.290 4.760 4.470 -0.000 0.000 0.219 18 S C 0.784 175.392 174.600 0.013 0.000 1.040 18 S CA 0.348 58.555 58.200 0.013 0.000 0.958 18 S CB 0.643 63.852 63.200 0.014 0.000 0.860 18 S HN 0.027 nan 8.310 nan 0.000 0.487 19 I N 1.838 122.418 120.570 0.016 0.000 2.646 19 I HA 0.535 4.705 4.170 -0.000 0.000 0.299 19 I C 0.698 176.826 176.117 0.018 0.000 1.036 19 I CA -0.686 60.623 61.300 0.016 0.000 1.074 19 I CB 1.104 39.114 38.000 0.016 0.000 1.258 19 I HN 0.324 nan 8.210 nan 0.000 0.430 20 G N 4.177 112.987 108.800 0.017 0.000 2.483 20 G HA2 0.453 4.413 3.960 -0.000 0.000 0.248 20 G HA3 0.453 4.413 3.960 -0.000 0.000 0.248 20 G C -0.127 174.786 174.900 0.023 0.000 1.248 20 G CA -0.450 44.661 45.100 0.019 0.000 0.838 20 G HN 0.636 nan 8.290 nan 0.000 0.566 21 R N 2.808 123.324 120.500 0.028 0.000 2.681 21 R HA 0.223 4.563 4.340 -0.000 0.000 0.277 21 R C -2.055 174.266 176.300 0.034 0.000 1.563 21 R CA -1.292 54.827 56.100 0.032 0.000 1.673 21 R CB 1.844 32.168 30.300 0.039 0.000 1.258 21 R HN 0.301 nan 8.270 nan 0.000 0.650 22 P HA -0.299 nan 4.420 nan 0.000 0.217 22 P C 0.423 177.740 177.300 0.027 0.000 1.158 22 P CA 1.516 64.631 63.100 0.026 0.000 0.887 22 P CB 0.161 31.874 31.700 0.021 0.000 0.792 23 N N -1.073 117.643 118.700 0.027 0.000 2.120 23 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 23 N C 1.583 177.113 175.510 0.033 0.000 1.024 23 N CA 0.999 54.064 53.050 0.025 0.000 0.852 23 N CB -0.574 37.926 38.487 0.023 0.000 1.003 23 N HN 0.075 nan 8.380 nan 0.000 0.424 24 L N 1.223 122.473 121.223 0.046 0.000 2.056 24 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 24 L C 2.527 179.445 176.870 0.080 0.000 1.078 24 L CA 1.019 55.900 54.840 0.069 0.000 0.749 24 L CB -1.329 40.776 42.059 0.077 0.000 0.901 24 L HN 0.026 nan 8.230 nan 0.000 0.433 25 V N 0.150 120.103 119.914 0.065 0.000 2.343 25 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 25 V C 2.642 178.769 176.094 0.055 0.000 1.051 25 V CA 1.802 64.142 62.300 0.067 0.000 1.036 25 V CB -0.359 31.493 31.823 0.048 0.000 0.654 25 V HN 0.387 nan 8.190 nan 0.000 0.451 26 A N -0.030 122.812 122.820 0.037 0.000 1.902 26 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 26 A C 2.156 179.745 177.584 0.008 0.000 1.181 26 A CA 2.169 54.218 52.037 0.021 0.000 0.623 26 A CB -0.795 18.213 19.000 0.015 0.000 0.818 26 A HN 0.661 nan 8.150 nan 0.000 0.443 27 L N -0.465 120.764 121.223 0.010 0.000 2.201 27 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 27 L C 2.283 179.127 176.870 -0.044 0.000 1.105 27 L CA 2.584 57.411 54.840 -0.023 0.000 0.775 27 L CB -0.856 41.199 42.059 -0.006 0.000 0.913 27 L HN 0.331 nan 8.230 nan 0.000 0.440 28 T N -0.621 113.963 114.554 0.050 0.000 2.812 28 T HA -0.112 4.238 4.350 -0.000 0.000 0.264 28 T C 1.993 176.716 174.700 0.038 0.000 1.042 28 T CA 1.393 63.568 62.100 0.124 0.000 1.140 28 T CB -0.119 68.917 68.868 0.281 0.000 0.870 28 T HN 0.334 nan 8.240 nan 0.000 0.445 29 R N 0.916 121.439 120.500 0.039 0.000 2.120 29 R HA 0.066 4.406 4.340 -0.000 0.000 0.234 29 R C 2.716 179.004 176.300 -0.020 0.000 1.123 29 R CA 1.133 57.248 56.100 0.025 0.000 0.975 29 R CB -0.345 29.971 30.300 0.027 0.000 0.866 29 R HN 0.335 nan 8.270 nan 0.000 0.446 30 A N 0.347 123.136 122.820 -0.053 0.000 1.898 30 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 30 A C 2.106 179.610 177.584 -0.133 0.000 1.181 30 A CA 1.840 53.830 52.037 -0.078 0.000 0.620 30 A CB -0.689 18.259 19.000 -0.086 0.000 0.819 30 A HN 0.283 nan 8.150 nan 0.000 0.442 31 T N 0.423 114.830 114.554 -0.245 0.000 2.777 31 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 31 T C 1.964 176.510 174.700 -0.258 0.000 1.040 31 T CA 1.913 63.767 62.100 -0.410 0.000 1.141 31 T CB -0.886 67.339 68.868 -1.071 0.000 0.868 31 T HN 0.689 nan 8.240 nan 0.000 0.444 32 T N 1.288 115.766 114.554 -0.127 0.000 3.007 32 T HA 0.046 4.396 4.350 -0.000 0.000 0.270 32 T C 1.719 176.438 174.700 0.032 0.000 1.107 32 T CA 0.628 62.748 62.100 0.032 0.000 1.118 32 T CB -0.212 68.742 68.868 0.144 0.000 0.889 32 T HN 0.371 nan 8.240 nan 0.000 0.506 33 K N 0.732 121.132 120.400 0.000 0.000 2.288 33 K HA 0.194 4.514 4.320 -0.000 0.000 0.201 33 K C 1.680 178.300 176.600 0.034 0.000 1.048 33 K CA 0.665 56.964 56.287 0.020 0.000 0.956 33 K CB -0.142 32.362 32.500 0.007 0.000 0.746 33 K HN 0.395 nan 8.250 nan 0.000 0.461 34 L N 0.576 121.800 121.223 0.002 0.000 2.585 34 L HA 0.208 4.548 4.340 -0.000 0.000 0.226 34 L C 0.689 177.572 176.870 0.022 0.000 1.113 34 L CA -0.164 54.688 54.840 0.021 0.000 0.876 34 L CB 0.144 42.181 42.059 -0.036 0.000 1.072 34 L HN 0.018 nan 8.230 nan 0.000 0.468 35 I N -0.119 120.450 120.570 -0.000 0.000 2.428 35 I HA 0.011 4.181 4.170 -0.000 0.000 0.289 35 I C 0.027 176.200 176.117 0.092 0.000 1.019 35 I CA -0.538 60.729 61.300 -0.056 0.000 1.351 35 I CB 0.917 38.876 38.000 -0.068 0.000 1.412 35 I HN -0.007 nan 8.210 nan 0.000 0.513 36 Y N 5.290 125.494 120.300 -0.159 0.000 3.103 36 Y HA 0.030 4.580 4.550 0.000 0.000 0.389 36 Y C 1.892 177.599 175.900 -0.321 0.000 1.082 36 Y CA -0.630 57.337 58.100 -0.220 0.000 1.987 36 Y CB -1.564 36.710 38.460 -0.311 0.000 2.096 36 Y HN 0.592 nan 8.280 nan 0.000 0.423 37 S N -0.301 115.362 115.700 -0.062 0.000 2.372 37 S HA -0.243 4.227 4.470 -0.000 0.000 0.227 37 S C 1.525 176.057 174.600 -0.113 0.000 1.044 37 S CA 1.734 59.892 58.200 -0.070 0.000 1.050 37 S CB -0.051 63.191 63.200 0.069 0.000 0.901 37 S HN 0.518 nan 8.310 nan 0.000 0.447 38 D N 1.796 122.130 120.400 -0.110 0.000 2.203 38 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 38 D C 1.582 177.695 176.300 -0.311 0.000 0.997 38 D CA 1.144 55.068 54.000 -0.128 0.000 0.863 38 D CB -0.452 40.328 40.800 -0.032 0.000 0.928 38 D HN 0.692 nan 8.370 nan 0.000 0.458 39 I N -1.864 118.337 120.570 -0.616 0.000 3.806 39 I HA 0.138 4.308 4.170 -0.000 0.000 0.321 39 I C 0.159 175.892 176.117 -0.640 0.000 1.315 39 I CA -0.409 60.275 61.300 -1.025 0.000 1.148 39 I CB -0.011 37.022 38.000 -1.610 0.000 1.028 39 I HN -0.244 nan 8.210 nan 0.000 0.415 40 V N -1.659 118.045 119.914 -0.351 0.000 3.078 40 V HA 0.857 4.977 4.120 -0.000 0.000 0.311 40 V C 0.052 176.024 176.094 -0.203 0.000 1.138 40 V CA -0.671 61.476 62.300 -0.254 0.000 1.007 40 V CB 1.542 33.241 31.823 -0.208 0.000 1.045 40 V HN 0.100 nan 8.190 nan 0.000 0.432 41 A N 1.925 124.526 122.820 -0.365 0.000 2.807 41 A HA 0.605 4.925 4.320 -0.000 0.000 0.307 41 A C 0.575 178.057 177.584 -0.171 0.000 1.532 41 A CA -0.144 51.645 52.037 -0.413 0.000 1.215 41 A CB -1.181 17.184 19.000 -1.058 0.000 1.127 41 A HN 1.008 nan 8.150 nan 0.000 0.543 42 T N 2.334 116.911 114.554 0.039 0.000 2.901 42 T HA 0.343 4.693 4.350 -0.000 0.000 0.301 42 T C -0.024 174.774 174.700 0.163 0.000 1.012 42 T CA 0.358 62.557 62.100 0.165 0.000 1.135 42 T CB 0.453 69.444 68.868 0.205 0.000 0.936 42 T HN 0.665 nan 8.240 nan 0.000 0.539 43 Q N 1.743 121.665 119.800 0.203 0.000 2.483 43 Q HA 0.291 4.631 4.340 -0.000 0.000 0.245 43 Q C -0.585 175.462 176.000 0.079 0.000 0.902 43 Q CA -0.732 55.198 55.803 0.212 0.000 0.767 43 Q CB 2.078 31.064 28.738 0.413 0.000 1.341 43 Q HN 0.480 nan 8.270 nan 0.000 0.453 44 R N 0.961 121.446 120.500 -0.025 0.000 2.756 44 R HA 0.268 4.608 4.340 -0.000 0.000 0.264 44 R C -0.367 175.822 176.300 -0.184 0.000 1.026 44 R CA 0.904 56.909 56.100 -0.158 0.000 1.121 44 R CB 0.727 30.899 30.300 -0.213 0.000 0.999 44 R HN 0.466 nan 8.270 nan 0.000 0.449 45 T N 0.894 115.284 114.554 -0.273 0.000 2.903 45 T HA 0.341 4.691 4.350 -0.000 0.000 0.299 45 T C -0.470 173.962 174.700 -0.447 0.000 1.093 45 T CA -0.721 61.208 62.100 -0.284 0.000 1.002 45 T CB 0.718 69.442 68.868 -0.240 0.000 1.127 45 T HN 0.868 nan 8.240 nan 0.000 0.488 46 N N 1.795 120.250 118.700 -0.407 0.000 2.194 46 N HA 0.193 4.933 4.740 -0.000 0.000 0.231 46 N C -0.429 174.933 175.510 -0.246 0.000 1.247 46 N CA -0.716 51.985 53.050 -0.582 0.000 0.884 46 N CB 0.634 38.898 38.487 -0.373 0.000 1.146 46 N HN 0.259 nan 8.380 nan 0.000 0.516 47 Q N 0.480 120.249 119.800 -0.052 0.000 2.351 47 Q HA 0.357 4.697 4.340 -0.000 0.000 0.273 47 Q C -2.117 173.992 176.000 0.181 0.000 1.077 47 Q CA -1.968 53.883 55.803 0.080 0.000 0.843 47 Q CB 1.963 30.677 28.738 -0.040 0.000 1.367 47 Q HN -0.081 nan 8.270 nan 0.000 0.449 48 P HA -0.019 nan 4.420 nan 0.000 0.230 48 P C -0.299 176.968 177.300 -0.056 0.000 1.158 48 P CA 0.761 63.843 63.100 -0.029 0.000 0.769 48 P CB 0.497 32.163 31.700 -0.057 0.000 0.807 49 V N -0.265 119.612 119.914 -0.061 0.000 2.483 49 V HA 0.589 4.709 4.120 -0.000 0.000 0.297 49 V C 0.007 175.994 176.094 -0.179 0.000 1.027 49 V CA -1.349 60.886 62.300 -0.108 0.000 0.855 49 V CB 1.518 33.286 31.823 -0.091 0.000 0.995 49 V HN -0.080 nan 8.190 nan 0.000 0.424 50 A N 3.753 126.400 122.820 -0.287 0.000 2.327 50 A HA 0.846 5.166 4.320 -0.000 0.000 0.283 50 A C 0.372 177.541 177.584 -0.693 0.000 1.127 50 A CA -0.067 51.664 52.037 -0.510 0.000 0.810 50 A CB 0.877 19.449 19.000 -0.712 0.000 1.066 50 A HN 1.389 nan 8.150 nan 0.000 0.492 51 A N 2.505 124.926 122.820 -0.666 0.000 2.253 51 A HA 0.665 4.985 4.320 -0.000 0.000 0.316 51 A C -0.564 176.465 177.584 -0.925 0.000 1.327 51 A CA -0.338 51.275 52.037 -0.707 0.000 0.917 51 A CB -0.170 18.570 19.000 -0.434 0.000 1.162 51 A HN 0.681 nan 8.150 nan 0.000 0.535 52 F N 1.068 120.330 119.950 -1.146 0.000 2.440 52 F HA 0.625 5.152 4.527 0.000 0.000 0.328 52 F C -0.454 174.358 175.800 -1.646 0.000 1.070 52 F CA -0.553 56.599 58.000 -1.413 0.000 1.011 52 F CB 1.828 39.575 39.000 -2.087 0.000 1.226 52 F HN 0.530 nan 8.300 nan 0.000 0.491 53 Y N 0.176 120.175 120.300 -0.503 0.000 2.433 53 Y HA 0.619 5.169 4.550 -0.000 0.000 0.337 53 Y C 0.063 175.945 175.900 -0.030 0.000 1.026 53 Y CA -1.126 56.849 58.100 -0.208 0.000 1.037 53 Y CB 2.193 40.630 38.460 -0.039 0.000 1.245 53 Y HN 0.632 nan 8.280 nan 0.000 0.443 54 G N 2.138 111.120 108.800 0.302 0.000 2.706 54 G HA2 0.643 4.603 3.960 -0.000 0.000 0.297 54 G HA3 0.643 4.603 3.960 -0.000 0.000 0.297 54 G C -1.793 173.292 174.900 0.309 0.000 1.403 54 G CA -0.916 44.399 45.100 0.358 0.000 0.954 54 G HN 0.636 nan 8.290 nan 0.000 0.500 55 I N -0.801 119.957 120.570 0.313 0.000 2.562 55 I HA 1.007 5.177 4.170 -0.000 0.000 0.301 55 I C -0.556 175.751 176.117 0.317 0.000 1.003 55 I CA -1.349 60.150 61.300 0.331 0.000 1.127 55 I CB 2.309 40.543 38.000 0.390 0.000 1.304 55 I HN 0.663 nan 8.210 nan 0.000 0.446 56 K N 3.491 124.092 120.400 0.334 0.000 2.587 56 K HA 0.666 4.986 4.320 -0.000 0.000 0.276 56 K C -1.796 175.005 176.600 0.335 0.000 0.956 56 K CA -0.815 55.624 56.287 0.252 0.000 0.857 56 K CB 0.833 33.403 32.500 0.116 0.000 1.431 56 K HN 0.759 nan 8.250 nan 0.000 0.420 57 Y N -0.195 120.195 120.300 0.150 0.000 2.705 57 Y HA 0.900 5.450 4.550 -0.000 0.000 0.332 57 Y C -1.300 174.645 175.900 0.075 0.000 1.157 57 Y CA -1.628 56.534 58.100 0.103 0.000 1.091 57 Y CB 1.422 39.951 38.460 0.114 0.000 1.301 57 Y HN 0.709 nan 8.280 nan 0.000 0.488 58 L N 0.980 122.347 121.223 0.240 0.000 2.612 58 L HA 0.525 4.865 4.340 -0.000 0.000 0.256 58 L C -1.959 174.987 176.870 0.126 0.000 0.949 58 L CA -0.820 54.094 54.840 0.123 0.000 0.867 58 L CB 2.240 44.341 42.059 0.070 0.000 1.417 58 L HN 0.768 nan 8.230 nan 0.000 0.414 59 N N 5.280 124.032 118.700 0.087 0.000 2.416 59 N HA 0.198 4.938 4.740 -0.000 0.000 0.271 59 N C -2.077 173.460 175.510 0.045 0.000 1.245 59 N CA -0.681 52.407 53.050 0.063 0.000 0.940 59 N CB 0.239 38.746 38.487 0.034 0.000 1.175 59 N HN 0.469 nan 8.380 nan 0.000 0.483 60 P HA 0.160 nan 4.420 nan 0.000 0.330 60 P C -0.967 176.348 177.300 0.025 0.000 1.414 60 P CA -0.184 62.935 63.100 0.032 0.000 0.878 60 P CB -0.065 31.653 31.700 0.029 0.000 2.176 61 D N -0.863 119.551 120.400 0.022 0.000 3.218 61 D HA -0.155 4.485 4.640 -0.000 0.000 0.213 61 D C -0.495 175.817 176.300 0.019 0.000 1.192 61 D CA 0.896 54.909 54.000 0.020 0.000 0.940 61 D CB -2.384 38.431 40.800 0.025 0.000 0.841 61 D HN 0.786 nan 8.370 nan 0.000 0.391 83 Q N 3.611 123.415 119.800 0.006 0.000 2.563 83 Q HA 0.250 4.590 4.340 -0.000 0.000 0.232 83 Q C -0.856 175.155 176.000 0.019 0.000 1.106 83 Q CA -0.764 55.047 55.803 0.013 0.000 0.913 83 Q CB 0.235 28.981 28.738 0.013 0.000 1.175 83 Q HN 0.525 nan 8.270 nan 0.000 0.540 84 I N 2.482 123.064 120.570 0.020 0.000 2.821 84 I HA -0.091 4.079 4.170 -0.000 0.000 0.294 84 I C 0.717 176.877 176.117 0.071 0.000 1.210 84 I CA 0.926 62.248 61.300 0.036 0.000 1.430 84 I CB 0.242 38.260 38.000 0.030 0.000 1.356 84 I HN 0.320 nan 8.210 nan 0.000 0.563 85 T N 6.539 121.152 114.554 0.098 0.000 2.784 85 T HA 0.022 4.372 4.350 -0.000 0.000 0.291 85 T C 0.371 175.162 174.700 0.152 0.000 0.942 85 T CA -0.360 61.802 62.100 0.104 0.000 1.161 85 T CB -0.037 68.888 68.868 0.093 0.000 0.885 85 T HN 0.415 nan 8.240 nan 0.000 0.534 86 E N 2.275 122.539 120.200 0.106 0.000 2.360 86 E HA 0.087 4.437 4.350 -0.000 0.000 0.269 86 E C -0.361 176.296 176.600 0.095 0.000 1.022 86 E CA -0.558 55.918 56.400 0.127 0.000 0.887 86 E CB 0.691 30.439 29.700 0.080 0.000 0.990 86 E HN 0.413 nan 8.360 nan 0.000 0.426 87 L N 4.384 125.693 121.223 0.143 0.000 2.313 87 L HA 0.208 4.548 4.340 -0.000 0.000 0.282 87 L C -0.347 176.500 176.870 -0.037 0.000 1.092 87 L CA 0.516 55.336 54.840 -0.034 0.000 0.831 87 L CB 0.830 42.834 42.059 -0.093 0.000 1.159 87 L HN 0.394 nan 8.230 nan 0.000 0.442 88 T N 2.699 117.168 114.554 -0.142 0.000 2.888 88 T HA 0.294 4.644 4.350 -0.000 0.000 0.288 88 T C 0.715 175.294 174.700 -0.202 0.000 1.063 88 T CA -0.596 61.433 62.100 -0.117 0.000 1.010 88 T CB 1.455 70.277 68.868 -0.076 0.000 1.214 88 T HN 0.445 nan 8.240 nan 0.000 0.533 89 E N 1.202 121.308 120.200 -0.156 0.000 2.204 89 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 89 E C 1.737 178.233 176.600 -0.175 0.000 0.990 89 E CA 1.039 57.334 56.400 -0.176 0.000 0.821 89 E CB 0.175 29.805 29.700 -0.118 0.000 0.750 89 E HN 0.736 nan 8.360 nan 0.000 0.477 90 E N -0.744 119.372 120.200 -0.141 0.000 2.498 90 E HA 0.057 4.407 4.350 -0.000 0.000 0.203 90 E C 1.524 178.045 176.600 -0.133 0.000 1.013 90 E CA 0.137 56.464 56.400 -0.122 0.000 0.927 90 E CB 0.249 29.899 29.700 -0.083 0.000 1.012 90 E HN -0.059 nan 8.360 nan 0.000 0.482 91 S N 1.795 117.394 115.700 -0.168 0.000 2.406 91 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 91 S C 1.960 176.414 174.600 -0.244 0.000 1.030 91 S CA 1.079 59.176 58.200 -0.172 0.000 0.958 91 S CB -0.141 62.962 63.200 -0.162 0.000 0.811 91 S HN 0.434 nan 8.310 nan 0.000 0.489 92 K N 0.443 120.622 120.400 -0.369 0.000 2.211 92 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 92 K C 1.845 178.283 176.600 -0.271 0.000 1.050 92 K CA 1.015 56.996 56.287 -0.511 0.000 0.945 92 K CB -0.394 31.539 32.500 -0.944 0.000 0.732 92 K HN 0.323 nan 8.250 nan 0.000 0.451 93 L N 2.412 123.521 121.223 -0.191 0.000 2.376 93 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 93 L C 2.032 178.866 176.870 -0.059 0.000 1.133 93 L CA 1.783 56.565 54.840 -0.097 0.000 0.816 93 L CB -0.302 41.706 42.059 -0.085 0.000 0.933 93 L HN 0.556 nan 8.230 nan 0.000 0.449 94 T N -4.117 110.393 114.554 -0.072 0.000 3.022 94 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 94 T C 0.847 175.533 174.700 -0.024 0.000 1.060 94 T CA -0.304 61.771 62.100 -0.042 0.000 1.013 94 T CB -0.384 68.458 68.868 -0.043 0.000 0.982 94 T HN 0.081 nan 8.240 nan 0.000 0.508 95 L N 2.458 123.661 121.223 -0.032 0.000 2.499 95 L HA 0.298 4.638 4.340 -0.000 0.000 0.273 95 L C 0.335 177.231 176.870 0.043 0.000 1.195 95 L CA 0.032 54.877 54.840 0.009 0.000 0.882 95 L CB 0.167 42.223 42.059 -0.004 0.000 1.133 95 L HN 0.368 nan 8.230 nan 0.000 0.483 96 N N 1.856 120.588 118.700 0.053 0.000 2.545 96 N HA 0.284 5.024 4.740 -0.000 0.000 0.289 96 N C -0.966 174.582 175.510 0.063 0.000 1.279 96 N CA -1.074 52.006 53.050 0.048 0.000 0.824 96 N CB 1.489 39.995 38.487 0.032 0.000 1.395 96 N HN 0.440 nan 8.380 nan 0.000 0.526 97 K N 0.386 120.815 120.400 0.049 0.000 2.484 97 K HA 0.053 4.373 4.320 -0.000 0.000 0.280 97 K C 0.658 177.286 176.600 0.047 0.000 1.013 97 K CA 1.041 57.358 56.287 0.051 0.000 1.029 97 K CB -0.106 32.416 32.500 0.037 0.000 0.902 97 K HN 0.774 nan 8.250 nan 0.000 0.481 98 G N 3.261 112.092 108.800 0.052 0.000 2.217 98 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.246 98 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.246 98 G C -0.390 174.520 174.900 0.016 0.000 0.990 98 G CA 0.144 45.264 45.100 0.033 0.000 0.627 98 G HN 0.728 nan 8.290 nan 0.000 0.522 99 D N 0.861 121.292 120.400 0.051 0.000 2.345 99 D HA 0.491 5.131 4.640 -0.000 0.000 0.247 99 D C 0.972 177.311 176.300 0.065 0.000 1.108 99 D CA 0.073 54.109 54.000 0.060 0.000 0.894 99 D CB 1.144 42.003 40.800 0.099 0.000 1.203 99 D HN 0.273 nan 8.370 nan 0.000 0.430 100 L N 2.258 123.480 121.223 -0.002 0.000 2.343 100 L HA 0.547 4.887 4.340 -0.000 0.000 0.275 100 L C -0.215 176.740 176.870 0.141 0.000 1.056 100 L CA -0.800 53.990 54.840 -0.084 0.000 0.804 100 L CB 0.625 42.538 42.059 -0.243 0.000 1.203 100 L HN 0.399 nan 8.230 nan 0.000 0.440 101 F N 0.656 120.622 119.950 0.026 0.000 2.713 101 F HA 0.664 5.191 4.527 -0.000 0.000 0.311 101 F C -1.480 174.429 175.800 0.181 0.000 1.141 101 F CA -1.328 56.722 58.000 0.083 0.000 0.939 101 F CB 1.443 40.490 39.000 0.078 0.000 1.325 101 F HN 0.386 nan 8.300 nan 0.000 0.453 102 K N 1.229 121.923 120.400 0.489 0.000 2.469 102 K HA 0.675 4.995 4.320 -0.000 0.000 0.254 102 K C -2.512 174.403 176.600 0.525 0.000 0.939 102 K CA -0.948 55.585 56.287 0.411 0.000 0.812 102 K CB 3.036 35.661 32.500 0.209 0.000 1.301 102 K HN 0.949 nan 8.250 nan 0.000 0.433 103 Y N 1.438 121.961 120.300 0.372 0.000 2.361 103 Y HA 0.230 4.780 4.550 0.000 0.000 0.328 103 Y C -0.884 175.148 175.900 0.220 0.000 1.044 103 Y CA -0.347 57.902 58.100 0.249 0.000 1.085 103 Y CB 1.749 40.326 38.460 0.194 0.000 1.194 103 Y HN 1.033 nan 8.280 nan 0.000 0.438 104 N N 5.801 124.293 118.700 -0.346 0.000 2.740 104 N HA -0.311 4.429 4.740 -0.000 0.000 0.248 104 N C -0.206 175.293 175.510 -0.018 0.000 1.062 104 N CA 0.770 53.678 53.050 -0.237 0.000 0.704 104 N CB -0.649 37.691 38.487 -0.244 0.000 0.968 104 N HN 0.894 nan 8.380 nan 0.000 0.547 105 N N -2.254 116.457 118.700 0.018 0.000 2.967 105 N HA -0.198 4.542 4.740 -0.000 0.000 0.218 105 N C -0.327 175.215 175.510 0.053 0.000 0.870 105 N CA 1.595 54.671 53.050 0.043 0.000 1.030 105 N CB -0.738 37.775 38.487 0.042 0.000 1.027 105 N HN 0.480 nan 8.380 nan 0.000 0.603 106 I N 1.585 122.215 120.570 0.100 0.000 2.353 106 I HA 0.288 4.458 4.170 -0.000 0.000 0.293 106 I C 0.530 176.667 176.117 0.033 0.000 0.992 106 I CA -0.686 60.627 61.300 0.022 0.000 1.268 106 I CB 1.962 39.957 38.000 -0.007 0.000 1.387 106 I HN -0.141 nan 8.210 nan 0.000 0.478 107 V N 8.027 127.868 119.914 -0.122 0.000 2.439 107 V HA 0.433 4.553 4.120 -0.000 0.000 0.282 107 V C -0.998 174.883 176.094 -0.355 0.000 1.039 107 V CA -0.026 62.213 62.300 -0.101 0.000 0.913 107 V CB 0.972 32.774 31.823 -0.036 0.000 0.983 107 V HN 0.505 nan 8.190 nan 0.000 0.460 108 Y N 4.756 124.769 120.300 -0.478 0.000 2.631 108 Y HA 0.708 5.258 4.550 -0.000 0.000 0.328 108 Y C 0.249 175.812 175.900 -0.561 0.000 1.118 108 Y CA -1.084 56.677 58.100 -0.565 0.000 1.206 108 Y CB 1.175 39.078 38.460 -0.929 0.000 1.337 108 Y HN 0.433 nan 8.280 nan 0.000 0.515 109 K N 0.652 120.979 120.400 -0.122 0.000 2.422 109 K HA 0.577 4.897 4.320 -0.000 0.000 0.251 109 K C -1.793 174.853 176.600 0.076 0.000 0.933 109 K CA -0.659 55.595 56.287 -0.056 0.000 0.798 109 K CB 2.156 34.727 32.500 0.118 0.000 1.238 109 K HN 0.509 nan 8.250 nan 0.000 0.428 110 V N 5.388 125.378 119.914 0.127 0.000 2.432 110 V HA 0.147 4.267 4.120 -0.000 0.000 0.275 110 V C 0.953 177.108 176.094 0.101 0.000 1.043 110 V CA -0.354 62.050 62.300 0.173 0.000 0.925 110 V CB 1.182 33.125 31.823 0.201 0.000 0.985 110 V HN 0.654 nan 8.190 nan 0.000 0.466 111 L N 3.139 124.410 121.223 0.079 0.000 2.515 111 L HA 0.360 4.700 4.340 -0.000 0.000 0.223 111 L C 0.916 177.809 176.870 0.038 0.000 1.079 111 L CA 1.001 55.874 54.840 0.055 0.000 0.857 111 L CB -0.196 41.889 42.059 0.044 0.000 1.050 111 L HN 0.769 nan 8.230 nan 0.000 0.476 112 E N -0.936 119.283 120.200 0.032 0.000 2.359 112 E HA 0.177 4.527 4.350 -0.000 0.000 0.266 112 E C -1.085 175.532 176.600 0.028 0.000 0.920 112 E CA -0.805 55.607 56.400 0.020 0.000 0.788 112 E CB 1.734 31.434 29.700 0.000 0.000 1.279 112 E HN -0.155 nan 8.360 nan 0.000 0.438 113 D N 0.717 121.130 120.400 0.022 0.000 2.389 113 D HA 0.080 4.719 4.640 -0.000 0.000 0.247 113 D C -0.822 175.493 176.300 0.026 0.000 1.128 113 D CA 0.617 54.632 54.000 0.025 0.000 0.884 113 D CB 0.642 41.453 40.800 0.018 0.000 1.194 113 D HN 0.460 nan 8.370 nan 0.000 0.441 114 T N 2.995 117.571 114.554 0.036 0.000 2.528 114 T HA -0.139 4.211 4.350 -0.000 0.000 0.498 114 T C -2.348 172.382 174.700 0.050 0.000 0.801 114 T CA -0.309 61.817 62.100 0.044 0.000 2.620 114 T CB -0.819 68.066 68.868 0.028 0.000 1.643 114 T HN 0.357 nan 8.240 nan 0.000 0.454 115 P HA 0.599 nan 4.420 nan 0.000 0.279 115 P C 0.817 178.192 177.300 0.126 0.000 1.282 115 P CA -0.689 62.402 63.100 -0.014 0.000 0.788 115 P CB 0.261 31.879 31.700 -0.137 0.000 1.139 116 F N -3.792 116.125 119.950 -0.054 0.000 2.748 116 F HA -0.317 4.210 4.527 -0.000 0.000 0.370 116 F C 1.653 177.419 175.800 -0.056 0.000 0.620 116 F CA 0.691 58.648 58.000 -0.071 0.000 1.233 116 F CB -2.358 36.575 39.000 -0.111 0.000 1.708 116 F HN 0.263 nan 8.300 nan 0.000 0.298 117 A N 0.625 123.495 122.820 0.083 0.000 1.821 117 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 117 A C 2.198 179.796 177.584 0.022 0.000 1.214 117 A CA 2.568 54.632 52.037 0.045 0.000 0.608 117 A CB -1.355 17.659 19.000 0.023 0.000 0.862 117 A HN 0.677 nan 8.150 nan 0.000 0.448 118 T N -1.371 113.183 114.554 -0.001 0.000 2.996 118 T HA 0.026 4.376 4.350 -0.000 0.000 0.271 118 T C 0.664 175.360 174.700 -0.007 0.000 1.126 118 T CA 0.763 62.858 62.100 -0.008 0.000 1.103 118 T CB -0.773 68.083 68.868 -0.020 0.000 0.870 118 T HN 0.281 nan 8.240 nan 0.000 0.528 119 I N 3.357 123.928 120.570 0.002 0.000 2.308 119 I HA 0.128 4.298 4.170 -0.000 0.000 0.293 119 I C 1.754 177.890 176.117 0.032 0.000 1.078 119 I CA -0.576 60.732 61.300 0.013 0.000 1.292 119 I CB 0.967 38.980 38.000 0.021 0.000 1.423 119 I HN 0.275 nan 8.210 nan 0.000 0.493 120 E N 4.890 125.100 120.200 0.015 0.000 2.152 120 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 120 E C 0.668 177.275 176.600 0.012 0.000 0.983 120 E CA 0.477 56.884 56.400 0.011 0.000 0.818 120 E CB -0.117 29.585 29.700 0.004 0.000 0.758 120 E HN 0.590 nan 8.360 nan 0.000 0.467 121 E N 1.819 122.029 120.200 0.016 0.000 2.568 121 E HA -0.078 4.272 4.350 -0.000 0.000 0.262 121 E C 0.604 177.206 176.600 0.004 0.000 0.961 121 E CA 0.746 57.153 56.400 0.012 0.000 0.945 121 E CB 0.730 30.441 29.700 0.018 0.000 0.924 121 E HN 0.155 nan 8.360 nan 0.000 0.467 122 S N 2.001 117.695 115.700 -0.010 0.000 2.503 122 S HA 0.029 4.499 4.470 -0.000 0.000 0.215 122 S C 0.345 174.921 174.600 -0.040 0.000 1.003 122 S CA 0.086 58.271 58.200 -0.026 0.000 0.910 122 S CB 0.110 63.297 63.200 -0.023 0.000 0.790 122 S HN 0.538 nan 8.310 nan 0.000 0.514 123 D N 1.629 122.010 120.400 -0.031 0.000 2.312 123 D HA 0.188 4.828 4.640 -0.000 0.000 0.252 123 D C 1.174 177.432 176.300 -0.070 0.000 1.150 123 D CA -0.436 53.541 54.000 -0.038 0.000 0.870 123 D CB 0.601 41.391 40.800 -0.017 0.000 1.153 123 D HN 0.005 nan 8.370 nan 0.000 0.457 124 L N 3.978 125.133 121.223 -0.113 0.000 1.933 124 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 124 L C 1.861 178.582 176.870 -0.249 0.000 1.078 124 L CA 1.981 56.689 54.840 -0.221 0.000 0.773 124 L CB -0.772 41.136 42.059 -0.253 0.000 0.890 124 L HN 0.753 nan 8.230 nan 0.000 0.434 125 E N -0.414 119.643 120.200 -0.240 0.000 2.048 125 E HA -0.304 4.046 4.350 -0.000 0.000 0.202 125 E C 2.354 178.913 176.600 -0.067 0.000 1.021 125 E CA 1.864 58.147 56.400 -0.195 0.000 0.825 125 E CB -0.258 29.487 29.700 0.075 0.000 0.756 125 E HN 0.426 nan 8.360 nan 0.000 0.454 126 L N 0.739 121.951 121.223 -0.018 0.000 2.021 126 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 126 L C 2.459 179.338 176.870 0.014 0.000 1.074 126 L CA 2.319 57.163 54.840 0.007 0.000 0.760 126 L CB -1.462 40.602 42.059 0.008 0.000 0.889 126 L HN 0.327 nan 8.230 nan 0.000 0.433 127 A N -0.407 122.424 122.820 0.020 0.000 1.908 127 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 127 A C 2.221 179.903 177.584 0.163 0.000 1.181 127 A CA 1.871 53.967 52.037 0.099 0.000 0.627 127 A CB -0.811 18.274 19.000 0.141 0.000 0.818 127 A HN 0.491 nan 8.150 nan 0.000 0.445 128 L N -0.215 121.099 121.223 0.151 0.000 2.093 128 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 128 L C 2.362 179.242 176.870 0.015 0.000 1.085 128 L CA 2.231 57.150 54.840 0.132 0.000 0.755 128 L CB -0.637 41.371 42.059 -0.085 0.000 0.904 128 L HN 0.503 nan 8.230 nan 0.000 0.435 129 Q N -0.173 119.639 119.800 0.020 0.000 2.119 129 Q HA -0.127 4.213 4.340 -0.000 0.000 0.201 129 Q C 2.168 178.180 176.000 0.021 0.000 0.972 129 Q CA 2.049 57.876 55.803 0.039 0.000 0.847 129 Q CB -0.310 28.458 28.738 0.049 0.000 0.903 129 Q HN 0.810 nan 8.270 nan 0.000 0.433 130 I N -3.120 117.452 120.570 0.002 0.000 3.251 130 I HA 0.128 4.298 4.170 -0.000 0.000 0.277 130 I C 1.979 178.060 176.117 -0.060 0.000 1.268 130 I CA 0.617 61.907 61.300 -0.016 0.000 1.449 130 I CB -0.270 37.722 38.000 -0.013 0.000 1.083 130 I HN -0.075 nan 8.210 nan 0.000 0.464 131 A N 2.130 124.887 122.820 -0.104 0.000 1.968 131 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 131 A C 2.283 179.800 177.584 -0.113 0.000 1.169 131 A CA 1.060 52.957 52.037 -0.233 0.000 0.638 131 A CB -0.565 18.134 19.000 -0.503 0.000 0.812 131 A HN 0.486 nan 8.150 nan 0.000 0.446 132 I N -0.346 120.210 120.570 -0.025 0.000 2.202 132 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 132 I C 2.313 178.442 176.117 0.021 0.000 1.091 132 I CA 1.073 62.400 61.300 0.044 0.000 1.368 132 I CB -0.369 37.697 38.000 0.109 0.000 1.058 132 I HN 0.145 nan 8.210 nan 0.000 0.410 133 V N 1.199 121.117 119.914 0.008 0.000 2.287 133 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 133 V C 2.192 178.280 176.094 -0.010 0.000 1.053 133 V CA 1.563 63.865 62.300 0.003 0.000 1.027 133 V CB -0.646 31.178 31.823 0.002 0.000 0.646 133 V HN 0.397 nan 8.190 nan 0.000 0.447 134 L N 1.246 122.451 121.223 -0.031 0.000 2.700 134 L HA -0.027 4.313 4.340 -0.000 0.000 0.240 134 L C 1.433 178.283 176.870 -0.034 0.000 1.162 134 L CA 0.431 55.248 54.840 -0.038 0.000 0.874 134 L CB -0.765 41.256 42.059 -0.064 0.000 1.001 134 L HN 0.605 nan 8.230 nan 0.000 0.447 135 L N -4.513 116.698 121.223 -0.020 0.000 4.367 135 L HA -0.333 4.007 4.340 -0.000 0.000 0.424 135 L C 1.126 177.986 176.870 -0.016 0.000 1.152 135 L CA 1.393 56.228 54.840 -0.007 0.000 0.974 135 L CB -2.333 39.724 42.059 -0.002 0.000 2.012 135 L HN 0.032 nan 8.230 nan 0.000 0.922 136 K N 0.492 120.859 120.400 -0.054 0.000 2.057 136 K HA 0.282 4.602 4.320 -0.000 0.000 0.206 136 K C 1.113 177.697 176.600 -0.027 0.000 1.050 136 K CA 1.593 57.831 56.287 -0.081 0.000 0.935 136 K CB 0.014 32.392 32.500 -0.204 0.000 0.715 136 K HN 0.733 nan 8.250 nan 0.000 0.439 137 V N -1.723 118.193 119.914 0.004 0.000 3.158 137 V HA 0.671 4.791 4.120 -0.000 0.000 0.315 137 V C -0.953 175.215 176.094 0.122 0.000 1.148 137 V CA -1.233 61.133 62.300 0.111 0.000 1.042 137 V CB 2.004 33.959 31.823 0.220 0.000 1.101 137 V HN 0.309 nan 8.190 nan 0.000 0.448 138 R N 0.665 121.260 120.500 0.159 0.000 2.680 138 R HA 0.708 5.048 4.340 -0.000 0.000 0.269 138 R C -1.869 174.496 176.300 0.108 0.000 1.026 138 R CA -0.918 55.262 56.100 0.135 0.000 0.889 138 R CB 1.465 31.818 30.300 0.087 0.000 1.241 138 R HN 0.591 nan 8.270 nan 0.000 0.463 139 L N 1.341 122.562 121.223 -0.004 0.000 2.473 139 L HA 0.393 4.733 4.340 -0.000 0.000 0.268 139 L C -0.149 176.684 176.870 -0.061 0.000 1.215 139 L CA 0.359 55.054 54.840 -0.241 0.000 0.823 139 L CB 0.056 41.957 42.059 -0.263 0.000 1.099 139 L HN 0.552 nan 8.230 nan 0.000 0.483 140 F N 0.221 120.003 119.950 -0.280 0.000 2.547 140 F HA 0.549 5.076 4.527 -0.000 0.000 0.316 140 F C 0.053 175.766 175.800 -0.145 0.000 1.121 140 F CA -0.125 57.772 58.000 -0.172 0.000 0.911 140 F CB 1.892 40.800 39.000 -0.153 0.000 1.179 140 F HN 0.297 nan 8.300 nan 0.000 0.443 141 S N 3.784 119.173 115.700 -0.519 0.000 2.630 141 S HA 0.276 4.746 4.470 -0.000 0.000 0.173 141 S C -1.434 172.883 174.600 -0.471 0.000 1.048 141 S CA -0.581 57.423 58.200 -0.326 0.000 1.172 141 S CB -0.476 62.607 63.200 -0.196 0.000 1.638 141 S HN 0.711 nan 8.310 nan 0.000 0.429 156 I N 1.980 122.555 120.570 0.009 0.000 2.493 156 I HA 0.741 4.911 4.170 -0.000 0.000 0.298 156 I C 0.061 176.184 176.117 0.009 0.000 0.998 156 I CA -0.941 60.363 61.300 0.008 0.000 1.137 156 I CB 1.912 39.916 38.000 0.007 0.000 1.310 156 I HN 0.410 nan 8.210 nan 0.000 0.445 157 A N 4.335 127.160 122.820 0.008 0.000 2.337 157 A HA 0.565 4.885 4.320 -0.000 0.000 0.329 157 A C -0.649 176.935 177.584 0.000 0.000 1.146 157 A CA -0.688 51.353 52.037 0.007 0.000 0.800 157 A CB 0.817 19.821 19.000 0.007 0.000 1.220 157 A HN 0.656 nan 8.150 nan 0.000 0.472 158 D N 0.810 121.206 120.400 -0.007 0.000 2.349 158 D HA 0.396 5.036 4.640 -0.000 0.000 0.239 158 D C 0.648 176.920 176.300 -0.047 0.000 1.315 158 D CA 0.730 54.715 54.000 -0.025 0.000 0.937 158 D CB 0.467 41.255 40.800 -0.020 0.000 1.133 158 D HN 0.697 nan 8.370 nan 0.000 0.489 159 A N 0.196 122.955 122.820 -0.101 0.000 2.362 159 A HA 0.277 4.597 4.320 -0.000 0.000 0.276 159 A C 0.596 178.086 177.584 -0.156 0.000 1.153 159 A CA -0.354 51.552 52.037 -0.218 0.000 0.813 159 A CB 0.300 19.082 19.000 -0.363 0.000 1.081 159 A HN 0.369 nan 8.150 nan 0.000 0.507 160 R N 1.441 121.900 120.500 -0.069 0.000 2.276 160 R HA 0.244 4.584 4.340 -0.000 0.000 0.196 160 R C -0.042 176.244 176.300 -0.022 0.000 0.961 160 R CA 0.626 56.703 56.100 -0.038 0.000 1.024 160 R CB -0.405 29.888 30.300 -0.013 0.000 0.940 160 R HN 0.706 nan 8.270 nan 0.000 0.480 161 F N -1.919 118.009 119.950 -0.037 0.000 2.790 161 F HA 0.618 5.145 4.527 -0.000 0.000 0.337 161 F C -1.136 174.731 175.800 0.112 0.000 1.163 161 F CA -1.799 56.259 58.000 0.097 0.000 0.997 161 F CB 1.260 40.315 39.000 0.092 0.000 1.437 161 F HN -0.184 nan 8.300 nan 0.000 0.512 162 Q N 1.889 121.736 119.800 0.079 0.000 2.795 162 Q HA 0.388 4.728 4.340 -0.000 0.000 0.220 162 Q C -2.107 173.975 176.000 0.137 0.000 0.795 162 Q CA -0.444 55.331 55.803 -0.045 0.000 0.875 162 Q CB 1.372 30.091 28.738 -0.031 0.000 1.467 162 Q HN 0.747 nan 8.270 nan 0.000 0.449 163 I N 3.206 123.903 120.570 0.212 0.000 2.618 163 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 163 I C -0.065 176.094 176.117 0.071 0.000 1.146 163 I CA 0.806 62.235 61.300 0.215 0.000 1.425 163 I CB 0.705 38.854 38.000 0.248 0.000 1.383 163 I HN 0.541 nan 8.210 nan 0.000 0.562 164 N N 5.205 123.937 118.700 0.052 0.000 2.272 164 N HA 0.506 5.246 4.740 -0.000 0.000 0.305 164 N C -0.952 174.621 175.510 0.104 0.000 1.103 164 N CA -1.046 51.902 53.050 -0.170 0.000 0.791 164 N CB 1.604 39.768 38.487 -0.539 0.000 1.356 164 N HN 0.326 nan 8.380 nan 0.000 0.486 165 K N 2.261 122.703 120.400 0.070 0.000 2.471 165 K HA 0.367 4.687 4.320 -0.000 0.000 0.252 165 K C -1.817 174.900 176.600 0.194 0.000 0.938 165 K CA -0.491 55.781 56.287 -0.027 0.000 0.796 165 K CB 1.262 33.727 32.500 -0.059 0.000 1.161 165 K HN 0.779 nan 8.250 nan 0.000 0.425 166 W N 2.228 123.458 121.300 -0.117 0.000 3.274 166 W HA 0.587 5.247 4.660 -0.000 0.000 0.353 166 W C -1.345 175.119 176.519 -0.090 0.000 1.147 166 W CA -0.810 56.534 57.345 -0.002 0.000 1.054 166 W CB 0.964 30.501 29.460 0.128 0.000 1.510 166 W HN 0.386 nan 8.180 nan 0.000 0.602 167 Q N 0.628 120.511 119.800 0.139 0.000 2.340 167 Q HA 0.613 4.953 4.340 -0.000 0.000 0.276 167 Q C -1.325 174.737 176.000 0.105 0.000 1.048 167 Q CA -0.867 54.896 55.803 -0.067 0.000 0.832 167 Q CB 3.052 31.736 28.738 -0.091 0.000 1.373 167 Q HN 0.498 nan 8.270 nan 0.000 0.409 168 T N -0.111 114.444 114.554 0.001 0.000 2.903 168 T HA 0.680 5.030 4.350 -0.000 0.000 0.299 168 T C -0.868 173.811 174.700 -0.034 0.000 1.093 168 T CA -0.817 61.328 62.100 0.075 0.000 1.002 168 T CB 1.630 70.636 68.868 0.229 0.000 1.127 168 T HN 0.655 nan 8.240 nan 0.000 0.488 169 A N 1.776 124.585 122.820 -0.018 0.000 2.409 169 A HA 0.568 4.888 4.320 -0.000 0.000 0.262 169 A C 0.728 178.267 177.584 -0.075 0.000 1.113 169 A CA -0.591 51.412 52.037 -0.055 0.000 0.790 169 A CB -0.182 18.789 19.000 -0.047 0.000 1.046 169 A HN 1.219 nan 8.150 nan 0.000 0.496 170 V N 2.509 122.362 119.914 -0.101 0.000 2.508 170 V HA 0.370 4.490 4.120 -0.000 0.000 0.281 170 V C 0.332 176.321 176.094 -0.176 0.000 1.041 170 V CA -0.557 61.669 62.300 -0.123 0.000 1.016 170 V CB 0.093 31.872 31.823 -0.075 0.000 0.984 170 V HN 0.928 nan 8.190 nan 0.000 0.478 171 K N 4.099 124.345 120.400 -0.257 0.000 2.202 171 K HA 0.498 4.818 4.320 -0.000 0.000 0.264 171 K C -0.202 176.249 176.600 -0.249 0.000 1.010 171 K CA -0.405 55.728 56.287 -0.258 0.000 0.940 171 K CB 1.054 33.368 32.500 -0.309 0.000 0.983 171 K HN 0.587 nan 8.250 nan 0.000 0.475 172 S N 1.744 117.347 115.700 -0.162 0.000 2.577 172 S HA 0.235 4.705 4.470 -0.000 0.000 0.294 172 S C -0.764 173.804 174.600 -0.053 0.000 1.161 172 S CA -0.906 57.229 58.200 -0.109 0.000 1.143 172 S CB 0.449 63.584 63.200 -0.109 0.000 0.991 172 S HN 0.388 nan 8.310 nan 0.000 0.475 173 R N 2.364 122.863 120.500 -0.000 0.000 2.308 173 R HA 0.403 4.743 4.340 -0.000 0.000 0.305 173 R C -0.429 175.902 176.300 0.052 0.000 1.053 173 R CA -0.506 55.623 56.100 0.048 0.000 0.957 173 R CB 0.851 31.235 30.300 0.140 0.000 1.022 173 R HN 0.278 nan 8.270 nan 0.000 0.461 174 K N 2.787 123.208 120.400 0.034 0.000 2.358 174 K HA 0.384 4.704 4.320 -0.000 0.000 0.260 174 K C -1.050 175.570 176.600 0.032 0.000 0.956 174 K CA -0.493 55.812 56.287 0.029 0.000 0.834 174 K CB 0.947 33.454 32.500 0.011 0.000 1.102 174 K HN 0.157 nan 8.250 nan 0.000 0.431 175 L N 3.822 125.068 121.223 0.037 0.000 2.325 175 L HA 0.453 4.793 4.340 -0.000 0.000 0.281 175 L C -0.217 176.665 176.870 0.020 0.000 1.004 175 L CA -0.629 54.229 54.840 0.030 0.000 0.823 175 L CB 1.274 43.355 42.059 0.036 0.000 1.236 175 L HN 0.510 nan 8.230 nan 0.000 0.415 176 K N 1.415 121.824 120.400 0.015 0.000 2.316 176 K HA 0.209 4.529 4.320 -0.000 0.000 0.289 176 K C 1.090 177.696 176.600 0.009 0.000 1.070 176 K CA -0.078 56.216 56.287 0.011 0.000 0.928 176 K CB 1.215 33.721 32.500 0.010 0.000 1.039 176 K HN 0.704 nan 8.250 nan 0.000 0.480 177 T N -0.480 114.078 114.554 0.007 0.000 3.043 177 T HA 0.054 4.404 4.350 -0.000 0.000 0.263 177 T C 1.539 176.244 174.700 0.007 0.000 1.094 177 T CA 0.699 62.801 62.100 0.003 0.000 1.127 177 T CB -0.109 68.756 68.868 -0.005 0.000 0.905 177 T HN 0.813 nan 8.240 nan 0.000 0.490 178 G N 1.550 110.356 108.800 0.009 0.000 2.234 178 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 178 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 178 G C 0.095 175.004 174.900 0.015 0.000 0.987 178 G CA 0.172 45.279 45.100 0.012 0.000 0.625 178 G HN 0.694 nan 8.290 nan 0.000 0.532 179 I N 2.972 123.550 120.570 0.014 0.000 2.396 179 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 179 I C 1.407 177.534 176.117 0.016 0.000 1.056 179 I CA 0.156 61.467 61.300 0.018 0.000 1.365 179 I CB 0.967 38.975 38.000 0.014 0.000 1.407 179 I HN 0.295 nan 8.210 nan 0.000 0.509 180 T N 2.358 116.923 114.554 0.019 0.000 2.868 180 T HA 0.203 4.553 4.350 -0.000 0.000 0.292 180 T C 1.183 175.894 174.700 0.018 0.000 1.028 180 T CA -0.892 61.218 62.100 0.017 0.000 1.059 180 T CB 1.633 70.512 68.868 0.018 0.000 0.991 180 T HN 0.304 nan 8.240 nan 0.000 0.531 181 V N 1.026 120.949 119.914 0.016 0.000 2.759 181 V HA -0.082 4.038 4.120 -0.000 0.000 0.256 181 V C 2.734 178.841 176.094 0.021 0.000 1.080 181 V CA 1.854 64.164 62.300 0.017 0.000 1.101 181 V CB -1.212 30.620 31.823 0.015 0.000 0.698 181 V HN 1.057 nan 8.190 nan 0.000 0.477 182 E N 0.568 120.781 120.200 0.020 0.000 2.038 182 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 182 E C 2.280 178.897 176.600 0.028 0.000 1.000 182 E CA 1.736 58.150 56.400 0.022 0.000 0.803 182 E CB -0.102 29.610 29.700 0.020 0.000 0.750 182 E HN 0.582 nan 8.360 nan 0.000 0.448 183 L N 0.547 121.789 121.223 0.031 0.000 1.976 183 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 183 L C 2.530 179.429 176.870 0.049 0.000 1.071 183 L CA 1.577 56.441 54.840 0.040 0.000 0.746 183 L CB -0.509 41.576 42.059 0.043 0.000 0.890 183 L HN 0.244 nan 8.230 nan 0.000 0.432 184 A N -1.025 121.821 122.820 0.043 0.000 2.194 184 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 184 A C 2.010 179.619 177.584 0.041 0.000 1.162 184 A CA 1.818 53.880 52.037 0.042 0.000 0.674 184 A CB -0.403 18.610 19.000 0.022 0.000 0.789 184 A HN 0.711 nan 8.150 nan 0.000 0.470 185 Q N -0.956 118.867 119.800 0.038 0.000 2.287 185 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 185 Q C 1.531 177.556 176.000 0.042 0.000 0.946 185 Q CA 0.907 56.732 55.803 0.036 0.000 0.868 185 Q CB 0.044 28.799 28.738 0.028 0.000 0.967 185 Q HN 0.818 nan 8.270 nan 0.000 0.516 186 D N 0.333 120.758 120.400 0.042 0.000 2.317 186 D HA -0.147 4.493 4.640 -0.000 0.000 0.211 186 D C 1.652 177.986 176.300 0.055 0.000 0.966 186 D CA 0.350 54.376 54.000 0.044 0.000 0.876 186 D CB -0.103 40.720 40.800 0.038 0.000 0.927 186 D HN 0.120 nan 8.370 nan 0.000 0.519 187 L N 0.517 121.779 121.223 0.066 0.000 2.201 187 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 187 L C 2.001 178.926 176.870 0.093 0.000 1.105 187 L CA 1.553 56.446 54.840 0.089 0.000 0.775 187 L CB -0.473 41.664 42.059 0.129 0.000 0.913 187 L HN 0.004 nan 8.230 nan 0.000 0.440 188 E N -0.697 119.550 120.200 0.078 0.000 2.028 188 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 188 E C 2.153 178.799 176.600 0.077 0.000 0.984 188 E CA 1.038 57.483 56.400 0.076 0.000 0.800 188 E CB -0.193 29.542 29.700 0.059 0.000 0.758 188 E HN 0.589 nan 8.360 nan 0.000 0.448 189 A N 1.864 124.726 122.820 0.069 0.000 1.873 189 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 189 A C 1.421 179.066 177.584 0.102 0.000 1.193 189 A CA 1.615 53.697 52.037 0.074 0.000 0.629 189 A CB -0.645 18.388 19.000 0.056 0.000 0.826 189 A HN 0.148 nan 8.150 nan 0.000 0.447 190 N N 0.195 118.948 118.700 0.088 0.000 2.878 190 N HA 0.380 5.120 4.740 -0.000 0.000 0.282 190 N C 0.205 175.750 175.510 0.059 0.000 1.284 190 N CA 0.775 53.883 53.050 0.096 0.000 1.053 190 N CB 0.228 38.751 38.487 0.060 0.000 1.382 190 N HN 0.430 nan 8.380 nan 0.000 0.529 191 G N -0.305 108.542 108.800 0.078 0.000 5.252 191 G HA2 0.051 4.011 3.960 -0.000 0.000 0.214 191 G HA3 0.051 4.011 3.960 -0.000 0.000 0.214 191 G C 0.461 175.344 174.900 -0.028 0.000 0.817 191 G CA -0.519 44.566 45.100 -0.026 0.000 0.715 191 G HN 0.319 nan 8.290 nan 0.000 0.480 192 F N -0.539 119.412 119.950 0.002 0.000 2.234 192 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 192 F C 1.422 177.221 175.800 -0.001 0.000 1.087 192 F CA 0.943 58.945 58.000 0.004 0.000 1.340 192 F CB 0.009 39.010 39.000 0.000 0.000 1.031 192 F HN 0.134 nan 8.300 nan 0.000 0.500 193 D N 0.810 120.644 120.400 -0.942 0.000 2.269 193 D HA 0.139 4.779 4.640 -0.000 0.000 0.208 193 D C 0.349 176.480 176.300 -0.280 0.000 0.963 193 D CA 1.114 54.725 54.000 -0.648 0.000 0.864 193 D CB 0.031 40.350 40.800 -0.801 0.000 0.936 193 D HN 0.352 nan 8.370 nan 0.000 0.505 194 A N -0.117 122.574 122.820 -0.215 0.000 3.127 194 A HA 0.440 4.760 4.320 -0.000 0.000 0.319 194 A C -1.855 175.736 177.584 0.013 0.000 1.104 194 A CA -0.989 50.997 52.037 -0.085 0.000 0.802 194 A CB 0.859 19.784 19.000 -0.124 0.000 1.193 194 A HN -0.104 nan 8.150 nan 0.000 0.479 195 P HA -0.224 nan 4.420 nan 0.000 0.207 195 P C 0.460 177.810 177.300 0.083 0.000 0.954 195 P CA 2.037 65.171 63.100 0.057 0.000 0.990 195 P CB -0.005 31.724 31.700 0.047 0.000 0.721 196 N N -0.634 118.109 118.700 0.071 0.000 3.331 196 N HA 0.036 4.776 4.740 -0.000 0.000 0.303 196 N C 0.436 175.989 175.510 0.072 0.000 1.326 196 N CA -0.306 52.779 53.050 0.058 0.000 1.207 196 N CB -1.392 37.109 38.487 0.023 0.000 1.477 196 N HN 0.194 nan 8.380 nan 0.000 0.541 197 F N 0.594 120.532 119.950 -0.020 0.000 2.234 197 F HA 0.068 4.595 4.527 -0.000 0.000 0.296 197 F C 1.597 177.385 175.800 -0.019 0.000 1.089 197 F CA 0.220 58.205 58.000 -0.025 0.000 1.343 197 F CB 0.098 39.078 39.000 -0.033 0.000 1.040 197 F HN 0.278 nan 8.300 nan 0.000 0.498 198 L N 1.447 122.485 121.223 -0.307 0.000 2.013 198 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 198 L C 2.431 179.116 176.870 -0.308 0.000 1.073 198 L CA 2.492 57.112 54.840 -0.366 0.000 0.753 198 L CB -1.258 40.731 42.059 -0.116 0.000 0.890 198 L HN 0.445 nan 8.230 nan 0.000 0.432 199 E N -0.865 119.229 120.200 -0.177 0.000 2.058 199 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 199 E C 1.743 178.243 176.600 -0.166 0.000 0.997 199 E CA 1.756 58.077 56.400 -0.132 0.000 0.801 199 E CB -0.111 29.546 29.700 -0.070 0.000 0.746 199 E HN 0.579 nan 8.360 nan 0.000 0.450 200 D N 0.536 120.830 120.400 -0.176 0.000 2.097 200 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 200 D C 2.037 178.210 176.300 -0.211 0.000 0.989 200 D CA 0.784 54.695 54.000 -0.148 0.000 0.827 200 D CB -0.466 40.298 40.800 -0.059 0.000 0.966 200 D HN 0.193 nan 8.370 nan 0.000 0.456 201 L N 0.545 121.525 121.223 -0.406 0.000 2.013 201 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 201 L C 2.156 178.894 176.870 -0.219 0.000 1.073 201 L CA 1.528 56.142 54.840 -0.377 0.000 0.753 201 L CB -0.476 41.173 42.059 -0.684 0.000 0.890 201 L HN 0.025 nan 8.230 nan 0.000 0.432 202 L N -0.909 120.185 121.223 -0.214 0.000 1.973 202 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 202 L C 2.748 179.531 176.870 -0.144 0.000 1.073 202 L CA 1.241 55.995 54.840 -0.143 0.000 0.746 202 L CB -1.239 40.748 42.059 -0.121 0.000 0.891 202 L HN 0.347 nan 8.230 nan 0.000 0.433 203 A N -0.061 122.658 122.820 -0.168 0.000 1.940 203 A HA -0.298 4.022 4.320 -0.000 0.000 0.221 203 A C 2.341 179.818 177.584 -0.179 0.000 1.190 203 A CA 2.812 54.724 52.037 -0.208 0.000 0.647 203 A CB -1.250 17.643 19.000 -0.179 0.000 0.821 203 A HN 0.488 nan 8.150 nan 0.000 0.457 204 T N 0.019 114.494 114.554 -0.133 0.000 2.788 204 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 204 T C 0.952 175.599 174.700 -0.090 0.000 1.044 204 T CA 1.241 63.282 62.100 -0.098 0.000 1.139 204 T CB -0.180 68.646 68.868 -0.071 0.000 0.867 204 T HN 0.698 nan 8.240 nan 0.000 0.454 208 D N 0.641 120.959 120.400 -0.137 0.000 2.123 208 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 208 D C 1.693 177.922 176.300 -0.118 0.000 0.992 208 D CA 1.762 55.683 54.000 -0.132 0.000 0.833 208 D CB 0.017 40.768 40.800 -0.081 0.000 0.954 208 D HN 0.582 nan 8.370 nan 0.000 0.455 209 E N 0.425 120.581 120.200 -0.074 0.000 2.031 209 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 209 E C 1.989 178.555 176.600 -0.055 0.000 0.994 209 E CA 1.035 57.417 56.400 -0.031 0.000 0.800 209 E CB -0.331 29.384 29.700 0.025 0.000 0.752 209 E HN 0.324 nan 8.360 nan 0.000 0.447 210 I N 0.702 121.197 120.570 -0.124 0.000 2.252 210 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 210 I C 1.934 177.887 176.117 -0.273 0.000 1.102 210 I CA 0.916 62.069 61.300 -0.246 0.000 1.385 210 I CB -0.435 37.335 38.000 -0.382 0.000 1.064 210 I HN 0.144 nan 8.210 nan 0.000 0.414 211 N N 0.985 119.494 118.700 -0.319 0.000 2.289 211 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 211 N C 1.776 177.115 175.510 -0.285 0.000 1.016 211 N CA 1.147 53.934 53.050 -0.438 0.000 0.872 211 N CB -0.115 37.965 38.487 -0.678 0.000 0.973 211 N HN 0.238 nan 8.380 nan 0.000 0.433 212 K N 0.958 121.250 120.400 -0.180 0.000 2.062 212 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 212 K C 1.536 178.098 176.600 -0.063 0.000 1.051 212 K CA 0.703 56.932 56.287 -0.097 0.000 0.941 212 K CB -0.429 32.036 32.500 -0.058 0.000 0.719 212 K HN 0.009 nan 8.250 nan 0.000 0.440 213 D N 0.177 120.551 120.400 -0.043 0.000 2.144 213 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 213 D C 1.723 178.015 176.300 -0.013 0.000 0.984 213 D CA 0.931 54.941 54.000 0.017 0.000 0.834 213 D CB 0.063 40.937 40.800 0.124 0.000 0.955 213 D HN 0.120 nan 8.370 nan 0.000 0.465 214 I N 0.021 120.538 120.570 -0.088 0.000 2.133 214 I HA -0.230 3.940 4.170 -0.000 0.000 0.238 214 I C 2.509 178.581 176.117 -0.075 0.000 1.074 214 I CA 0.562 61.796 61.300 -0.110 0.000 1.342 214 I CB -0.176 37.692 38.000 -0.220 0.000 1.053 214 I HN 0.008 nan 8.210 nan 0.000 0.404 215 L N 0.028 121.207 121.223 -0.072 0.000 2.081 215 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 215 L C 2.627 179.481 176.870 -0.027 0.000 1.080 215 L CA 1.491 56.324 54.840 -0.010 0.000 0.754 215 L CB -0.622 41.456 42.059 0.032 0.000 0.893 215 L HN 0.408 nan 8.230 nan 0.000 0.433 216 Q N -0.573 119.204 119.800 -0.038 0.000 2.046 216 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 216 Q C 2.399 178.374 176.000 -0.041 0.000 0.975 216 Q CA 1.802 57.577 55.803 -0.046 0.000 0.836 216 Q CB 0.130 28.850 28.738 -0.029 0.000 0.896 216 Q HN 0.433 nan 8.270 nan 0.000 0.428 217 S N 0.663 116.352 115.700 -0.018 0.000 2.383 217 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 217 S C 1.868 176.463 174.600 -0.008 0.000 1.026 217 S CA 0.753 58.953 58.200 -0.002 0.000 0.981 217 S CB -0.125 63.092 63.200 0.028 0.000 0.818 217 S HN 0.305 nan 8.310 nan 0.000 0.472 218 L N 0.873 122.089 121.223 -0.012 0.000 2.093 218 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 218 L C 2.123 178.985 176.870 -0.014 0.000 1.085 218 L CA 1.055 55.903 54.840 0.013 0.000 0.755 218 L CB -0.458 41.627 42.059 0.043 0.000 0.904 218 L HN 0.301 nan 8.230 nan 0.000 0.435 219 I N -0.873 119.647 120.570 -0.083 0.000 2.394 219 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 219 I C 2.643 178.677 176.117 -0.139 0.000 1.136 219 I CA 1.624 62.809 61.300 -0.192 0.000 1.425 219 I CB -0.296 37.497 38.000 -0.345 0.000 1.079 219 I HN 0.292 nan 8.210 nan 0.000 0.425 220 T N -0.428 114.072 114.554 -0.091 0.000 2.978 220 T HA -0.007 4.343 4.350 -0.000 0.000 0.262 220 T C 1.804 176.479 174.700 -0.041 0.000 1.063 220 T CA 0.863 62.922 62.100 -0.068 0.000 1.140 220 T CB 0.067 68.904 68.868 -0.051 0.000 0.886 220 T HN 0.063 nan 8.240 nan 0.000 0.470 221 V N 1.287 121.189 119.914 -0.021 0.000 2.331 221 V HA 0.099 4.219 4.120 -0.000 0.000 0.242 221 V C 1.569 177.665 176.094 0.004 0.000 1.034 221 V CA 0.620 62.919 62.300 -0.002 0.000 1.027 221 V CB -0.563 31.271 31.823 0.018 0.000 0.667 221 V HN 0.384 nan 8.190 nan 0.000 0.457 222 S N 0.556 116.264 115.700 0.013 0.000 2.542 222 S HA -0.022 4.448 4.470 -0.000 0.000 0.287 222 S C 0.349 174.961 174.600 0.019 0.000 1.315 222 S CA 0.404 58.620 58.200 0.025 0.000 1.037 222 S CB 0.132 63.355 63.200 0.038 0.000 0.822 222 S HN 0.415 nan 8.310 nan 0.000 0.513 223 K N 1.267 121.688 120.400 0.036 0.000 2.362 223 K HA 0.371 4.691 4.320 -0.000 0.000 0.245 223 K C 0.642 177.290 176.600 0.081 0.000 1.040 223 K CA -0.961 55.358 56.287 0.053 0.000 0.961 223 K CB 0.283 32.821 32.500 0.063 0.000 1.252 223 K HN 0.533 nan 8.250 nan 0.000 0.503 224 R N -0.043 120.540 120.500 0.138 0.000 2.843 224 R HA 0.266 4.606 4.340 -0.000 0.000 0.232 224 R C -1.053 175.412 176.300 0.276 0.000 1.305 224 R CA -0.449 55.813 56.100 0.271 0.000 1.096 224 R CB -0.228 30.354 30.300 0.469 0.000 1.455 224 R HN 0.553 nan 8.270 nan 0.000 0.520 225 Y N 0.724 121.109 120.300 0.142 0.000 2.341 225 Y HA 0.318 4.868 4.550 -0.000 0.000 0.337 225 Y C 0.084 175.942 175.900 -0.069 0.000 1.014 225 Y CA -1.143 56.937 58.100 -0.033 0.000 1.111 225 Y CB 1.440 39.878 38.460 -0.036 0.000 1.194 225 Y HN 0.677 nan 8.280 nan 0.000 0.462 226 K N 4.292 124.494 120.400 -0.329 0.000 3.129 226 K HA 0.399 4.719 4.320 -0.000 0.000 0.224 226 K C -1.226 175.187 176.600 -0.310 0.000 1.249 226 K CA -0.366 55.768 56.287 -0.255 0.000 1.177 226 K CB -0.345 32.078 32.500 -0.127 0.000 1.393 226 K HN 0.309 nan 8.250 nan 0.000 0.459 227 V N -0.888 118.818 119.914 -0.346 0.000 2.322 227 V HA 0.222 4.342 4.120 -0.000 0.000 0.258 227 V C -0.334 175.673 176.094 -0.146 0.000 1.074 227 V CA -0.527 61.631 62.300 -0.237 0.000 0.909 227 V CB -0.182 31.541 31.823 -0.168 0.000 1.090 227 V HN 0.550 nan 8.190 nan 0.000 0.486 228 T N 4.104 118.583 114.554 -0.124 0.000 2.713 228 T HA 0.008 4.358 4.350 -0.000 0.000 0.482 228 T C 1.101 175.741 174.700 -0.099 0.000 0.789 228 T CA 1.403 63.447 62.100 -0.093 0.000 2.526 228 T CB -1.550 67.278 68.868 -0.067 0.000 1.658 228 T HN 2.714 nan 8.240 nan 0.000 0.523 229 G N 2.290 111.027 108.800 -0.106 0.000 2.303 229 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.260 229 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.260 229 G C 0.194 174.993 174.900 -0.168 0.000 1.106 229 G CA -0.336 44.699 45.100 -0.108 0.000 0.900 229 G HN 1.754 nan 8.290 nan 0.000 0.495 230 I N -0.926 119.512 120.570 -0.219 0.000 7.316 230 I HA -0.233 3.937 4.170 -0.000 0.000 0.126 230 I C 1.342 177.149 176.117 -0.518 0.000 1.806 230 I CA 1.810 62.870 61.300 -0.401 0.000 2.125 230 I CB -2.049 35.717 38.000 -0.390 0.000 3.572 230 I HN 1.381 nan 8.210 nan 0.000 0.196 231 T N 1.860 116.204 114.554 -0.350 0.000 4.131 231 T HA -0.204 4.146 4.350 -0.000 0.000 0.347 231 T C 0.207 174.820 174.700 -0.145 0.000 0.755 231 T CA 0.886 62.854 62.100 -0.219 0.000 1.936 231 T CB -1.436 67.288 68.868 -0.239 0.000 1.861 231 T HN 0.904 nan 8.240 nan 0.000 0.863 232 D N -0.364 119.960 120.400 -0.127 0.000 3.729 232 D HA 0.002 4.642 4.640 -0.000 0.000 0.242 232 D C 0.285 176.540 176.300 -0.075 0.000 1.091 232 D CA 1.546 55.498 54.000 -0.080 0.000 1.096 232 D CB -1.388 39.385 40.800 -0.046 0.000 0.901 232 D HN 0.790 nan 8.370 nan 0.000 0.416 233 S N 0.761 116.413 115.700 -0.080 0.000 3.436 233 S HA 0.075 4.545 4.470 -0.000 0.000 0.393 233 S C 0.570 175.142 174.600 -0.046 0.000 0.914 233 S CA 1.597 59.763 58.200 -0.056 0.000 1.317 233 S CB -1.321 61.859 63.200 -0.033 0.000 0.920 233 S HN 2.147 nan 8.310 nan 0.000 0.564 234 G N 1.835 110.589 108.800 -0.076 0.000 2.907 234 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 234 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 234 G C -0.587 174.304 174.900 -0.016 0.000 1.115 234 G CA -0.410 44.695 45.100 0.009 0.000 0.760 234 G HN 0.959 nan 8.290 nan 0.000 0.620 235 F N 2.508 122.465 119.950 0.011 0.000 2.464 235 F HA 0.187 4.714 4.527 -0.000 0.000 0.322 235 F C 1.738 177.549 175.800 0.019 0.000 1.244 235 F CA 0.553 58.569 58.000 0.026 0.000 0.954 235 F CB -0.591 38.427 39.000 0.030 0.000 1.202 235 F HN 0.693 nan 8.300 nan 0.000 0.616 236 I N 2.303 122.932 120.570 0.098 0.000 2.805 236 I HA -0.341 3.829 4.170 -0.000 0.000 0.126 236 I C -0.012 176.142 176.117 0.061 0.000 0.890 236 I CA 0.439 61.779 61.300 0.067 0.000 2.783 236 I CB -0.098 37.943 38.000 0.070 0.000 0.622 236 I HN 0.527 nan 8.210 nan 0.000 0.351 237 D N 7.698 128.114 120.400 0.026 0.000 2.303 237 D HA 0.472 5.112 4.640 -0.000 0.000 0.236 237 D C -0.851 175.459 176.300 0.017 0.000 1.068 237 D CA -0.411 53.590 54.000 0.000 0.000 0.830 237 D CB 0.812 41.576 40.800 -0.060 0.000 1.109 237 D HN 0.383 nan 8.370 nan 0.000 0.496 238 L N 3.734 124.977 121.223 0.033 0.000 2.637 238 L HA 0.241 4.581 4.340 -0.000 0.000 0.241 238 L C 0.930 177.847 176.870 0.078 0.000 1.398 238 L CA -0.160 54.713 54.840 0.055 0.000 0.895 238 L CB 0.644 42.736 42.059 0.055 0.000 1.183 238 L HN 0.418 nan 8.230 nan 0.000 0.497 239 S N -1.766 113.999 115.700 0.107 0.000 4.207 239 S HA 0.162 4.632 4.470 -0.000 0.000 0.177 239 S C 1.612 176.382 174.600 0.284 0.000 0.981 239 S CA -0.176 58.137 58.200 0.187 0.000 1.097 239 S CB -0.386 62.951 63.200 0.228 0.000 1.525 239 S HN 0.229 nan 8.310 nan 0.000 0.686 240 Y N 2.460 122.778 120.300 0.029 0.000 2.053 240 Y HA 0.025 4.575 4.550 -0.000 0.000 0.277 240 Y C 2.534 178.449 175.900 0.025 0.000 1.159 240 Y CA 0.776 58.891 58.100 0.025 0.000 1.125 240 Y CB -0.339 38.135 38.460 0.024 0.000 0.969 240 Y HN 0.520 nan 8.280 nan 0.000 0.492 241 A N -0.132 122.813 122.820 0.208 0.000 2.543 241 A HA 0.250 4.570 4.320 -0.000 0.000 0.258 241 A C 0.217 177.858 177.584 0.094 0.000 1.391 241 A CA 0.508 52.617 52.037 0.120 0.000 1.066 241 A CB -0.452 18.601 19.000 0.088 0.000 0.972 241 A HN 0.146 nan 8.150 nan 0.000 0.560 242 S N -0.800 114.961 115.700 0.102 0.000 2.566 242 S HA 0.616 5.086 4.470 -0.000 0.000 0.273 242 S C -0.383 174.261 174.600 0.073 0.000 1.157 242 S CA 0.075 58.324 58.200 0.082 0.000 0.938 242 S CB 1.035 64.286 63.200 0.084 0.000 1.087 242 S HN 1.096 nan 8.310 nan 0.000 0.474 243 A N 4.772 127.629 122.820 0.061 0.000 2.322 243 A HA 0.684 5.004 4.320 -0.000 0.000 0.269 243 A C -1.993 175.623 177.584 0.054 0.000 1.094 243 A CA -1.495 50.572 52.037 0.050 0.000 0.807 243 A CB -0.115 18.911 19.000 0.044 0.000 1.047 243 A HN 0.705 nan 8.150 nan 0.000 0.487 244 P HA 0.025 nan 4.420 nan 0.000 0.251 244 P C -0.008 177.318 177.300 0.042 0.000 1.624 244 P CA 0.395 63.521 63.100 0.042 0.000 0.907 244 P CB -0.234 31.484 31.700 0.030 0.000 1.867 245 E N 0.813 121.047 120.200 0.057 0.000 3.570 245 E HA 0.253 4.603 4.350 -0.000 0.000 0.298 245 E C 1.361 177.998 176.600 0.061 0.000 1.489 245 E CA -0.339 56.098 56.400 0.063 0.000 1.457 245 E CB 0.271 30.024 29.700 0.089 0.000 1.247 245 E HN 0.125 nan 8.360 nan 0.000 0.778 246 A N 0.115 122.978 122.820 0.072 0.000 2.259 246 A HA 0.225 4.545 4.320 -0.000 0.000 0.208 246 A C 1.127 178.806 177.584 0.158 0.000 1.201 246 A CA 0.715 52.769 52.037 0.028 0.000 0.824 246 A CB -0.755 18.194 19.000 -0.086 0.000 0.838 246 A HN 0.694 nan 8.150 nan 0.000 0.485 247 G N 0.077 108.995 108.800 0.196 0.000 2.324 247 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.292 247 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.292 247 G C 0.740 175.853 174.900 0.354 0.000 1.079 247 G CA 0.326 45.565 45.100 0.231 0.000 1.026 247 G HN 0.447 nan 8.290 nan 0.000 0.506 248 R N 0.978 121.684 120.500 0.343 0.000 2.062 248 R HA -0.051 4.288 4.340 -0.000 0.000 0.229 248 R C 2.923 179.287 176.300 0.107 0.000 1.128 248 R CA 1.755 58.011 56.100 0.260 0.000 0.960 248 R CB -1.536 28.909 30.300 0.241 0.000 0.855 248 R HN 0.888 nan 8.270 nan 0.000 0.432 249 S N 2.120 117.880 115.700 0.100 0.000 2.389 249 S HA -0.232 4.238 4.470 -0.000 0.000 0.231 249 S C 2.088 176.707 174.600 0.032 0.000 1.052 249 S CA 1.736 59.968 58.200 0.053 0.000 1.053 249 S CB -0.784 62.453 63.200 0.062 0.000 0.886 249 S HN 0.360 nan 8.310 nan 0.000 0.456 250 L N -0.212 121.052 121.223 0.068 0.000 2.023 250 L HA -0.005 4.335 4.340 -0.000 0.000 0.205 250 L C 2.498 179.382 176.870 0.024 0.000 1.073 250 L CA 1.634 56.503 54.840 0.049 0.000 0.745 250 L CB -0.629 41.483 42.059 0.088 0.000 0.900 250 L HN 0.277 nan 8.230 nan 0.000 0.435 251 Y N 1.179 121.435 120.300 -0.073 0.000 2.165 251 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 251 Y C 1.981 177.759 175.900 -0.203 0.000 1.155 251 Y CA 1.291 59.290 58.100 -0.167 0.000 1.164 251 Y CB -0.337 37.890 38.460 -0.387 0.000 0.978 251 Y HN 0.231 nan 8.280 nan 0.000 0.513 255 C N 1.062 120.116 119.300 -0.410 0.000 2.429 255 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 255 C C 1.541 176.429 174.990 -0.171 0.000 1.262 255 C CA 0.926 59.748 59.018 -0.327 0.000 1.733 255 C CB -0.875 26.615 27.740 -0.417 0.000 2.010 255 C HN 0.621 nan 8.230 nan 0.000 0.483 259 S N 0.347 116.071 115.700 0.041 0.000 2.338 259 S HA -0.178 4.292 4.470 -0.000 0.000 0.218 259 S C 1.807 176.477 174.600 0.118 0.000 1.032 259 S CA 1.852 60.091 58.200 0.065 0.000 0.999 259 S CB -0.461 62.774 63.200 0.057 0.000 0.905 259 S HN 0.757 nan 8.310 nan 0.000 0.439 260 H N 1.508 120.617 119.070 0.064 0.000 2.496 260 H HA -0.086 4.470 4.556 -0.000 0.000 0.296 260 H C 1.759 177.121 175.328 0.057 0.000 1.107 260 H CA 1.127 57.225 56.048 0.084 0.000 1.263 260 H CB -0.306 29.582 29.762 0.210 0.000 1.369 260 H HN 0.234 nan 8.280 nan 0.000 0.541 261 I N 0.868 121.595 120.570 0.262 0.000 2.141 261 I HA -0.221 3.949 4.170 -0.000 0.000 0.236 261 I C 2.640 178.816 176.117 0.098 0.000 1.071 261 I CA 1.190 62.593 61.300 0.171 0.000 1.345 261 I CB -1.314 36.730 38.000 0.074 0.000 1.066 261 I HN 0.295 nan 8.210 nan 0.000 0.406 262 Q N 0.401 120.249 119.800 0.079 0.000 2.364 262 Q HA -0.193 4.147 4.340 -0.000 0.000 0.207 262 Q C 2.055 178.082 176.000 0.045 0.000 0.970 262 Q CA 1.056 56.902 55.803 0.072 0.000 0.888 262 Q CB 0.160 28.936 28.738 0.063 0.000 0.951 262 Q HN 0.128 nan 8.270 nan 0.000 0.469 263 K N 0.587 120.995 120.400 0.014 0.000 2.217 263 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 263 K C 0.821 177.376 176.600 -0.074 0.000 1.051 263 K CA 1.081 57.344 56.287 -0.040 0.000 0.952 263 K CB 0.301 32.748 32.500 -0.088 0.000 0.736 263 K HN 0.309 nan 8.250 nan 0.000 0.453 264 E N -0.465 119.694 120.200 -0.069 0.000 2.526 264 E HA 0.043 4.393 4.350 -0.000 0.000 0.208 264 E C -0.775 175.802 176.600 -0.039 0.000 0.997 264 E CA -0.160 56.199 56.400 -0.070 0.000 0.961 264 E CB 0.697 30.341 29.700 -0.094 0.000 1.030 264 E HN -0.035 nan 8.360 nan 0.000 0.483 265 S N 0.546 116.250 115.700 0.008 0.000 2.388 265 S HA -0.005 4.465 4.470 -0.000 0.000 0.279 265 S C -0.632 174.053 174.600 0.143 0.000 0.987 265 S CA -0.724 57.475 58.200 -0.001 0.000 0.993 265 S CB 0.451 63.592 63.200 -0.099 0.000 1.207 265 S HN 0.118 nan 8.310 nan 0.000 0.425 266 T N 3.858 118.543 114.554 0.220 0.000 3.162 266 T HA 0.337 4.687 4.350 -0.000 0.000 0.264 266 T C 0.232 174.937 174.700 0.007 0.000 0.959 266 T CA 0.066 62.235 62.100 0.115 0.000 1.118 266 T CB -0.569 68.336 68.868 0.062 0.000 0.979 266 T HN 0.729 nan 8.240 nan 0.000 0.679 267 Y N 0.843 121.206 120.300 0.105 0.000 2.450 267 Y HA 0.156 4.706 4.550 -0.000 0.000 0.279 267 Y C 0.528 176.459 175.900 0.052 0.000 1.106 267 Y CA -0.477 57.676 58.100 0.089 0.000 1.143 267 Y CB 0.870 39.382 38.460 0.087 0.000 1.328 267 Y HN 0.695 nan 8.280 nan 0.000 0.553 268 T N 1.579 116.247 114.554 0.189 0.000 1.531 268 T HA -0.056 4.294 4.350 -0.000 0.000 0.660 268 T C -0.065 174.674 174.700 0.064 0.000 0.951 268 T CA -0.137 62.025 62.100 0.103 0.000 3.499 268 T CB -1.297 67.626 68.868 0.091 0.000 2.021 268 T HN 0.607 nan 8.240 nan 0.000 0.423 269 A N 3.255 126.073 122.820 -0.003 0.000 2.613 269 A HA 0.418 4.738 4.320 -0.000 0.000 0.230 269 A C 1.594 179.138 177.584 -0.066 0.000 1.051 269 A CA 1.013 52.990 52.037 -0.100 0.000 0.754 269 A CB 0.098 19.003 19.000 -0.158 0.000 0.979 269 A HN 1.762 nan 8.150 nan 0.000 0.510 270 T N -1.503 112.991 114.554 -0.101 0.000 2.958 270 T HA 0.467 4.817 4.350 -0.000 0.000 0.256 270 T C 0.115 174.884 174.700 0.115 0.000 0.983 270 T CA 0.603 62.729 62.100 0.044 0.000 0.924 270 T CB -0.300 68.650 68.868 0.137 0.000 1.136 270 T HN 1.327 nan 8.240 nan 0.000 0.506 271 F N -0.317 119.647 119.950 0.024 0.000 2.685 271 F HA 0.845 5.372 4.527 -0.000 0.000 0.315 271 F C -1.313 174.509 175.800 0.037 0.000 1.126 271 F CA -1.879 56.155 58.000 0.058 0.000 0.950 271 F CB 1.332 40.364 39.000 0.053 0.000 1.360 271 F HN 0.094 nan 8.300 nan 0.000 0.469 272 C N 1.844 121.385 119.300 0.401 0.000 2.888 272 C HA 0.927 5.387 4.460 -0.000 0.000 0.308 272 C C -1.557 173.666 174.990 0.388 0.000 1.213 272 C CA -0.429 58.740 59.018 0.251 0.000 1.461 272 C CB 1.421 29.205 27.740 0.074 0.000 1.934 272 C HN 0.879 nan 8.230 nan 0.000 0.474 273 V N 4.056 124.121 119.914 0.251 0.000 2.686 273 V HA 0.913 5.033 4.120 -0.000 0.000 0.306 273 V C 0.232 176.277 176.094 -0.081 0.000 1.065 273 V CA 0.138 62.539 62.300 0.168 0.000 0.894 273 V CB 1.265 33.238 31.823 0.249 0.000 1.004 273 V HN 1.337 nan 8.190 nan 0.000 0.424 274 A N 2.853 125.559 122.820 -0.191 0.000 2.504 274 A HA 0.923 5.243 4.320 -0.000 0.000 0.285 274 A C -0.139 177.175 177.584 -0.450 0.000 1.261 274 A CA -0.548 51.237 52.037 -0.421 0.000 0.741 274 A CB 1.755 20.619 19.000 -0.226 0.000 1.327 274 A HN 0.623 nan 8.150 nan 0.000 0.441 275 S N -1.173 114.266 115.700 -0.436 0.000 2.634 275 S HA 0.459 4.929 4.470 -0.000 0.000 0.261 275 S C 1.549 176.047 174.600 -0.170 0.000 1.271 275 S CA 0.151 58.213 58.200 -0.229 0.000 0.985 275 S CB 1.198 64.320 63.200 -0.130 0.000 0.968 275 S HN 1.341 nan 8.310 nan 0.000 0.568 276 A N 1.309 124.061 122.820 -0.113 0.000 1.968 276 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 276 A C 2.029 179.544 177.584 -0.115 0.000 1.169 276 A CA 0.910 52.860 52.037 -0.145 0.000 0.638 276 A CB -0.251 18.699 19.000 -0.084 0.000 0.812 276 A HN 0.786 nan 8.150 nan 0.000 0.446 277 R N -0.599 119.862 120.500 -0.065 0.000 2.057 277 R HA 0.139 4.479 4.340 -0.000 0.000 0.224 277 R C 2.315 178.596 176.300 -0.031 0.000 1.136 277 R CA 0.958 57.040 56.100 -0.030 0.000 0.968 277 R CB -0.501 29.797 30.300 -0.004 0.000 0.863 277 R HN 0.387 nan 8.270 nan 0.000 0.433 278 A N 0.756 123.545 122.820 -0.050 0.000 2.225 278 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 278 A C 1.797 179.354 177.584 -0.045 0.000 1.164 278 A CA 1.741 53.749 52.037 -0.047 0.000 0.710 278 A CB -0.220 18.726 19.000 -0.091 0.000 0.780 278 A HN 0.447 nan 8.150 nan 0.000 0.473 279 A N -1.904 120.869 122.820 -0.078 0.000 1.853 279 A HA 0.578 4.898 4.320 -0.000 0.000 0.204 279 A C 2.100 179.671 177.584 -0.022 0.000 1.724 279 A CA 0.973 52.973 52.037 -0.062 0.000 1.105 279 A CB -0.935 17.973 19.000 -0.153 0.000 1.101 279 A HN 1.004 nan 8.150 nan 0.000 0.495 280 A N -0.696 122.013 122.820 -0.186 0.000 2.139 280 A HA 0.072 4.391 4.320 -0.000 0.000 0.221 280 A C 1.676 179.370 177.584 0.182 0.000 1.159 280 A CA 2.186 54.185 52.037 -0.062 0.000 0.662 280 A CB -0.276 18.636 19.000 -0.147 0.000 0.796 280 A HN 0.963 nan 8.150 nan 0.000 0.463 281 I N -4.432 116.200 120.570 0.103 0.000 4.787 281 I HA 0.159 4.329 4.170 -0.000 0.000 0.309 281 I C 1.397 177.561 176.117 0.077 0.000 1.169 281 I CA 0.133 61.492 61.300 0.098 0.000 1.360 281 I CB -0.202 37.836 38.000 0.063 0.000 1.591 281 I HN 0.092 nan 8.210 nan 0.000 0.480 282 L N 1.993 123.255 121.223 0.065 0.000 1.924 282 L HA -0.101 4.239 4.340 -0.000 0.000 0.222 282 L C 2.458 179.392 176.870 0.106 0.000 1.081 282 L CA 2.941 57.825 54.840 0.074 0.000 0.780 282 L CB -1.109 40.986 42.059 0.061 0.000 0.891 282 L HN 0.319 nan 8.230 nan 0.000 0.434 283 A N -0.901 121.994 122.820 0.125 0.000 2.125 283 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 283 A C 1.609 179.273 177.584 0.133 0.000 1.156 283 A CA 0.971 53.119 52.037 0.186 0.000 0.671 283 A CB -1.150 17.959 19.000 0.182 0.000 0.794 283 A HN 0.510 nan 8.150 nan 0.000 0.459 284 A N 0.280 123.167 122.820 0.111 0.000 3.063 284 A HA 0.509 4.829 4.320 -0.000 0.000 0.263 284 A C 0.294 177.881 177.584 0.005 0.000 1.736 284 A CA 0.198 52.288 52.037 0.089 0.000 1.408 284 A CB -0.757 18.361 19.000 0.196 0.000 1.108 284 A HN 0.287 nan 8.150 nan 0.000 0.621 285 S N -0.195 115.445 115.700 -0.100 0.000 2.787 285 S HA 0.461 4.931 4.470 -0.000 0.000 0.140 285 S C 0.862 175.143 174.600 -0.533 0.000 1.240 285 S CA 0.088 58.165 58.200 -0.206 0.000 1.163 285 S CB 0.263 63.394 63.200 -0.114 0.000 1.652 285 S HN 1.921 nan 8.310 nan 0.000 0.443 286 G N 1.219 109.692 108.800 -0.544 0.000 2.299 286 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.237 286 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.237 286 G C 0.449 174.797 174.900 -0.920 0.000 1.027 286 G CA 0.288 44.850 45.100 -0.896 0.000 0.619 286 G HN 0.649 nan 8.290 nan 0.000 0.513 287 W N -0.141 121.053 121.300 -0.176 0.000 3.220 287 W HA 0.772 5.432 4.660 -0.000 0.000 0.328 287 W C 0.373 176.775 176.519 -0.195 0.000 1.205 287 W CA -0.541 56.600 57.345 -0.340 0.000 1.773 287 W CB 0.766 29.929 29.460 -0.495 0.000 1.086 287 W HN 0.277 nan 8.180 nan 0.000 0.622 288 L N 1.395 122.634 121.223 0.026 0.000 2.470 288 L HA 0.479 4.819 4.340 -0.000 0.000 0.268 288 L C -1.043 175.815 176.870 -0.020 0.000 0.964 288 L CA -1.166 53.689 54.840 0.025 0.000 0.839 288 L CB 1.535 43.628 42.059 0.057 0.000 1.276 288 L HN -0.191 nan 8.230 nan 0.000 0.403 289 K N 2.993 123.382 120.400 -0.019 0.000 2.579 289 K HA 0.453 4.773 4.320 -0.000 0.000 0.250 289 K C -1.178 175.398 176.600 -0.039 0.000 0.952 289 K CA -0.724 55.561 56.287 -0.004 0.000 0.857 289 K CB 0.659 33.165 32.500 0.009 0.000 1.123 289 K HN 0.680 nan 8.250 nan 0.000 0.433 290 H N 4.400 123.356 119.070 -0.189 0.000 3.286 290 H HA -0.017 4.539 4.556 -0.000 0.000 0.245 290 H C -0.660 174.578 175.328 -0.151 0.000 0.932 290 H CA 0.839 56.746 56.048 -0.236 0.000 1.407 290 H CB -0.242 29.355 29.762 -0.276 0.000 1.540 290 H HN 0.463 nan 8.280 nan 0.000 0.516 291 K N 2.441 122.807 120.400 -0.057 0.000 6.527 291 K HA -0.166 4.154 4.320 -0.000 0.000 0.707 291 K C -2.316 174.228 176.600 -0.092 0.000 2.023 291 K CA -0.010 56.218 56.287 -0.099 0.000 1.629 291 K CB -0.448 32.002 32.500 -0.083 0.000 1.835 291 K HN 0.460 nan 8.250 nan 0.000 0.314 292 P HA -0.144 nan 4.420 nan 0.000 0.215 292 P C -0.160 177.084 177.300 -0.092 0.000 1.157 292 P CA 1.245 64.287 63.100 -0.096 0.000 0.859 292 P CB 0.301 31.925 31.700 -0.126 0.000 0.786 293 E N -1.102 119.022 120.200 -0.127 0.000 2.367 293 E HA 0.210 4.560 4.350 -0.000 0.000 0.273 293 E C -1.262 175.284 176.600 -0.090 0.000 0.903 293 E CA -0.865 55.482 56.400 -0.089 0.000 0.764 293 E CB 0.531 30.186 29.700 -0.074 0.000 1.252 293 E HN -0.216 nan 8.360 nan 0.000 0.446 294 D N 3.153 123.515 120.400 -0.063 0.000 2.554 294 D HA 0.015 4.655 4.640 -0.000 0.000 0.251 294 D C -0.552 175.715 176.300 -0.056 0.000 1.213 294 D CA 1.379 55.347 54.000 -0.054 0.000 0.900 294 D CB -0.239 40.539 40.800 -0.038 0.000 1.135 294 D HN 0.644 nan 8.370 nan 0.000 0.522 295 D N 0.619 120.981 120.400 -0.064 0.000 2.802 295 D HA -0.274 4.366 4.640 -0.000 0.000 0.229 295 D C 0.087 176.358 176.300 -0.049 0.000 1.203 295 D CA 0.526 54.492 54.000 -0.056 0.000 0.712 295 D CB -1.134 39.650 40.800 -0.027 0.000 0.973 295 D HN 0.472 nan 8.370 nan 0.000 0.407 296 K N 0.946 121.286 120.400 -0.101 0.000 2.577 296 K HA 0.148 4.468 4.320 -0.000 0.000 0.210 296 K C -0.511 176.062 176.600 -0.044 0.000 1.048 296 K CA -0.818 55.410 56.287 -0.097 0.000 1.188 296 K CB -0.195 32.195 32.500 -0.183 0.000 0.910 296 K HN 0.461 nan 8.250 nan 0.000 0.483 297 Y N -0.365 119.850 120.300 -0.141 0.000 2.837 297 Y HA -0.224 4.326 4.550 -0.000 0.000 0.059 297 Y C -2.205 173.643 175.900 -0.086 0.000 2.038 297 Y CA 0.058 58.112 58.100 -0.077 0.000 1.146 297 Y CB -0.689 37.758 38.460 -0.021 0.000 1.814 297 Y HN 0.237 nan 8.280 nan 0.000 0.301 298 L N 5.696 126.638 121.223 -0.468 0.000 2.735 298 L HA 0.484 4.824 4.340 -0.000 0.000 0.258 298 L C -0.922 175.807 176.870 -0.235 0.000 0.920 298 L CA 0.181 54.842 54.840 -0.297 0.000 0.958 298 L CB 1.492 43.442 42.059 -0.182 0.000 1.499 298 L HN 0.652 nan 8.230 nan 0.000 0.441 299 S N 2.790 118.379 115.700 -0.185 0.000 2.510 299 S HA 0.167 4.637 4.470 -0.000 0.000 0.279 299 S C 0.736 175.278 174.600 -0.097 0.000 1.284 299 S CA 0.121 58.257 58.200 -0.106 0.000 1.059 299 S CB 1.103 64.290 63.200 -0.021 0.000 0.901 299 S HN 0.859 nan 8.310 nan 0.000 0.491 300 Q N 2.524 122.286 119.800 -0.063 0.000 2.576 300 Q HA -0.136 4.204 4.340 -0.000 0.000 0.218 300 Q C 1.185 177.166 176.000 -0.032 0.000 0.983 300 Q CA 1.101 56.874 55.803 -0.049 0.000 0.920 300 Q CB -0.405 28.320 28.738 -0.022 0.000 0.973 300 Q HN 0.899 nan 8.270 nan 0.000 0.528 301 N N -0.883 117.799 118.700 -0.031 0.000 2.424 301 N HA 0.068 4.808 4.740 -0.000 0.000 0.178 301 N C -0.262 175.105 175.510 -0.239 0.000 1.060 301 N CA -0.019 53.030 53.050 -0.000 0.000 0.901 301 N CB 0.319 38.887 38.487 0.136 0.000 0.979 301 N HN 0.100 nan 8.380 nan 0.000 0.451 302 A N 0.228 122.815 122.820 -0.389 0.000 2.328 302 A HA 0.090 4.410 4.320 -0.000 0.000 0.284 302 A C 0.451 177.834 177.584 -0.335 0.000 1.160 302 A CA -0.426 51.172 52.037 -0.731 0.000 0.818 302 A CB 0.308 18.854 19.000 -0.757 0.000 1.087 302 A HN 0.280 nan 8.150 nan 0.000 0.504 303 Y N 3.391 123.440 120.300 -0.419 0.000 2.036 303 Y HA 0.133 4.683 4.550 -0.000 0.000 0.273 303 Y C 1.230 176.914 175.900 -0.360 0.000 1.135 303 Y CA 1.996 59.918 58.100 -0.297 0.000 1.106 303 Y CB -0.331 37.975 38.460 -0.256 0.000 0.976 303 Y HN 0.741 nan 8.280 nan 0.000 0.483 304 G N -2.549 106.024 108.800 -0.379 0.000 2.692 304 G HA2 0.396 4.356 3.960 -0.000 0.000 0.291 304 G HA3 0.396 4.356 3.960 -0.000 0.000 0.291 304 G C -2.038 172.819 174.900 -0.071 0.000 1.423 304 G CA -0.811 44.065 45.100 -0.373 0.000 0.843 304 G HN 0.028 nan 8.290 nan 0.000 0.486 305 F N 0.478 120.324 119.950 -0.173 0.000 2.396 305 F HA 0.573 5.100 4.527 -0.000 0.000 0.343 305 F C 0.748 176.531 175.800 -0.028 0.000 1.104 305 F CA -0.675 57.279 58.000 -0.078 0.000 1.161 305 F CB 1.233 40.205 39.000 -0.046 0.000 1.146 305 F HN 0.173 nan 8.300 nan 0.000 0.522 306 L N 4.069 125.252 121.223 -0.066 0.000 2.439 306 L HA 0.277 4.617 4.340 -0.000 0.000 0.261 306 L C 1.431 178.364 176.870 0.105 0.000 1.153 306 L CA -0.238 54.629 54.840 0.045 0.000 0.808 306 L CB 1.191 43.294 42.059 0.075 0.000 1.126 306 L HN 0.839 nan 8.230 nan 0.000 0.460 307 A N 1.945 124.825 122.820 0.099 0.000 1.948 307 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 307 A C 1.890 179.582 177.584 0.180 0.000 1.177 307 A CA 2.341 54.438 52.037 0.101 0.000 0.636 307 A CB -0.733 18.252 19.000 -0.026 0.000 0.815 307 A HN 0.931 nan 8.150 nan 0.000 0.449 308 N N -1.856 117.019 118.700 0.291 0.000 2.244 308 N HA 0.125 4.865 4.740 -0.000 0.000 0.183 308 N C 1.200 176.770 175.510 0.099 0.000 1.016 308 N CA 2.458 55.655 53.050 0.245 0.000 0.866 308 N CB 0.004 38.621 38.487 0.217 0.000 0.980 308 N HN 0.618 nan 8.380 nan 0.000 0.430 309 G N -1.095 107.713 108.800 0.012 0.000 2.612 309 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.200 309 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.200 309 G C -0.411 174.174 174.900 -0.524 0.000 1.053 309 G CA -0.041 44.998 45.100 -0.100 0.000 0.707 309 G HN 0.401 nan 8.290 nan 0.000 0.497 310 L N 1.996 123.038 121.223 -0.303 0.000 2.455 310 L HA 0.632 4.972 4.340 -0.000 0.000 0.272 310 L C -1.746 174.857 176.870 -0.445 0.000 1.174 310 L CA -2.064 52.589 54.840 -0.312 0.000 0.869 310 L CB -0.622 41.365 42.059 -0.120 0.000 1.130 310 L HN 0.150 nan 8.230 nan 0.000 0.474 311 P HA 0.134 nan 4.420 nan 0.000 0.268 311 P C -0.915 176.311 177.300 -0.124 0.000 1.205 311 P CA -0.228 62.665 63.100 -0.345 0.000 0.771 311 P CB 1.392 33.008 31.700 -0.140 0.000 0.858 312 L N 4.199 125.305 121.223 -0.196 0.000 2.333 312 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 312 L C -1.149 175.562 176.870 -0.265 0.000 1.004 312 L CA -0.984 53.812 54.840 -0.073 0.000 0.820 312 L CB 0.872 42.928 42.059 -0.005 0.000 1.247 312 L HN 0.198 nan 8.230 nan 0.000 0.416 313 Y N 3.877 124.130 120.300 -0.079 0.000 2.320 313 Y HA 0.351 4.901 4.550 -0.000 0.000 0.334 313 Y C 0.335 176.166 175.900 -0.115 0.000 1.055 313 Y CA -0.501 57.476 58.100 -0.206 0.000 1.143 313 Y CB 1.426 39.628 38.460 -0.429 0.000 1.193 313 Y HN 0.565 nan 8.280 nan 0.000 0.477 314 C N 4.130 123.417 119.300 -0.022 0.000 2.369 314 C HA 0.157 4.617 4.460 -0.000 0.000 0.358 314 C C 1.632 176.664 174.990 0.070 0.000 1.274 314 C CA -0.315 58.651 59.018 -0.086 0.000 1.935 314 C CB -0.184 27.368 27.740 -0.314 0.000 2.431 314 C HN 1.009 nan 8.230 nan 0.000 0.545 315 D N 1.487 121.916 120.400 0.048 0.000 2.110 315 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 315 D C 1.935 178.283 176.300 0.081 0.000 0.975 315 D CA 2.875 56.955 54.000 0.132 0.000 0.839 315 D CB 0.234 41.144 40.800 0.183 0.000 0.996 315 D HN 1.010 nan 8.370 nan 0.000 0.464 316 T N -2.086 112.479 114.554 0.018 0.000 12.057 316 T HA -0.342 4.008 4.350 -0.000 0.000 0.412 316 T C 1.152 175.866 174.700 0.024 0.000 1.495 316 T CA 1.864 63.965 62.100 0.002 0.000 2.454 316 T CB -2.133 66.740 68.868 0.008 0.000 2.808 316 T HN 0.331 nan 8.240 nan 0.000 0.847 317 N N 1.039 119.763 118.700 0.041 0.000 2.236 317 N HA 0.331 5.070 4.740 -0.000 0.000 0.196 317 N C -0.428 175.108 175.510 0.043 0.000 1.114 317 N CA 0.173 53.243 53.050 0.033 0.000 0.859 317 N CB 0.436 38.935 38.487 0.020 0.000 0.982 317 N HN 0.444 nan 8.380 nan 0.000 0.493 318 S N 1.848 117.594 115.700 0.078 0.000 2.480 318 S HA 0.214 4.684 4.470 -0.000 0.000 0.286 318 S C -2.127 172.529 174.600 0.092 0.000 1.180 318 S CA -1.020 57.230 58.200 0.083 0.000 1.075 318 S CB 1.481 64.752 63.200 0.119 0.000 0.996 318 S HN 0.139 nan 8.310 nan 0.000 0.487 319 P HA 0.125 nan 4.420 nan 0.000 0.238 319 P C -0.147 177.183 177.300 0.049 0.000 1.714 319 P CA 0.027 63.152 63.100 0.041 0.000 0.908 319 P CB 0.077 31.785 31.700 0.015 0.000 1.893 320 L N -0.344 120.949 121.223 0.117 0.000 2.713 320 L HA 0.200 4.540 4.340 -0.000 0.000 0.223 320 L C -0.111 176.865 176.870 0.177 0.000 1.040 320 L CA 0.709 55.635 54.840 0.142 0.000 0.894 320 L CB -1.195 40.963 42.059 0.165 0.000 1.361 320 L HN 0.096 nan 8.230 nan 0.000 0.490 321 D N 0.385 120.907 120.400 0.202 0.000 3.437 321 D HA -0.210 4.430 4.640 -0.000 0.000 0.243 321 D C -0.765 175.612 176.300 0.128 0.000 1.104 321 D CA 0.925 54.976 54.000 0.085 0.000 1.009 321 D CB -1.049 39.785 40.800 0.056 0.000 0.937 321 D HN 0.473 nan 8.370 nan 0.000 0.417 322 Y N -2.377 117.919 120.300 -0.008 0.000 2.689 322 Y HA 0.826 5.376 4.550 -0.000 0.000 0.333 322 Y C -1.315 174.582 175.900 -0.005 0.000 1.190 322 Y CA -1.262 56.830 58.100 -0.012 0.000 1.063 322 Y CB 1.243 39.687 38.460 -0.028 0.000 1.294 322 Y HN -0.041 nan 8.280 nan 0.000 0.466 323 V N 2.438 122.272 119.914 -0.134 0.000 2.808 323 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 323 V C -0.809 175.315 176.094 0.050 0.000 1.099 323 V CA -0.816 61.367 62.300 -0.195 0.000 0.920 323 V CB 1.968 33.714 31.823 -0.128 0.000 1.014 323 V HN 0.746 nan 8.190 nan 0.000 0.425 324 I N 3.405 124.024 120.570 0.082 0.000 2.545 324 I HA 0.626 4.796 4.170 -0.000 0.000 0.292 324 I C -1.037 175.101 176.117 0.035 0.000 1.040 324 I CA -1.004 60.380 61.300 0.141 0.000 1.068 324 I CB 2.403 40.586 38.000 0.306 0.000 1.251 324 I HN 0.277 nan 8.210 nan 0.000 0.424 325 V N 4.491 124.355 119.914 -0.084 0.000 2.444 325 V HA 0.815 4.935 4.120 -0.000 0.000 0.294 325 V C 0.252 176.090 176.094 -0.427 0.000 1.022 325 V CA -0.293 61.856 62.300 -0.252 0.000 0.850 325 V CB 1.362 33.059 31.823 -0.211 0.000 0.992 325 V HN 0.959 nan 8.190 nan 0.000 0.426 326 G N 2.335 110.505 108.800 -1.050 0.000 2.766 326 G HA2 0.717 4.677 3.960 -0.000 0.000 0.288 326 G HA3 0.717 4.677 3.960 -0.000 0.000 0.288 326 G C -1.707 172.564 174.900 -1.049 0.000 1.408 326 G CA -0.694 43.791 45.100 -1.026 0.000 0.852 326 G HN 0.825 nan 8.290 nan 0.000 0.487 327 V N -0.469 119.212 119.914 -0.389 0.000 2.588 327 V HA 0.758 4.878 4.120 -0.000 0.000 0.304 327 V C -1.286 174.834 176.094 0.042 0.000 1.042 327 V CA -0.651 61.571 62.300 -0.130 0.000 0.877 327 V CB 1.788 33.563 31.823 -0.080 0.000 0.996 327 V HN 0.664 nan 8.190 nan 0.000 0.425 328 V N 5.926 125.907 119.914 0.112 0.000 2.357 328 V HA 0.599 4.719 4.120 -0.000 0.000 0.281 328 V C -0.365 175.743 176.094 0.023 0.000 1.015 328 V CA -0.329 62.002 62.300 0.052 0.000 0.827 328 V CB 1.241 33.110 31.823 0.076 0.000 1.018 328 V HN 0.998 nan 8.190 nan 0.000 0.432 329 E N 3.869 124.033 120.200 -0.060 0.000 2.281 329 E HA 0.731 5.081 4.350 -0.000 0.000 0.262 329 E C -0.718 175.886 176.600 0.006 0.000 0.933 329 E CA -0.572 55.821 56.400 -0.012 0.000 0.809 329 E CB 2.109 31.781 29.700 -0.048 0.000 1.242 329 E HN 0.843 nan 8.360 nan 0.000 0.418 330 N N 0.621 119.367 118.700 0.077 0.000 2.525 330 N HA 0.445 5.185 4.740 -0.000 0.000 0.270 330 N C -1.475 174.098 175.510 0.105 0.000 1.321 330 N CA -0.663 52.439 53.050 0.086 0.000 0.797 330 N CB 0.899 39.432 38.487 0.076 0.000 1.529 330 N HN 0.231 nan 8.380 nan 0.000 0.491 331 I N 1.217 121.839 120.570 0.087 0.000 2.390 331 I HA 0.583 4.753 4.170 -0.000 0.000 0.283 331 I C 1.280 177.420 176.117 0.038 0.000 1.016 331 I CA 0.204 61.540 61.300 0.061 0.000 1.151 331 I CB -0.128 37.896 38.000 0.041 0.000 1.293 331 I HN 1.038 nan 8.210 nan 0.000 0.458 332 G N 6.479 115.299 108.800 0.032 0.000 2.512 332 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 332 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 332 G C 0.577 175.498 174.900 0.035 0.000 1.199 332 G CA 0.151 45.265 45.100 0.023 0.000 0.941 332 G HN 0.604 nan 8.290 nan 0.000 0.569 333 E N 0.877 121.095 120.200 0.031 0.000 2.489 333 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 333 E C 1.005 177.637 176.600 0.054 0.000 1.057 333 E CA 0.412 56.837 56.400 0.042 0.000 0.866 333 E CB -0.039 29.683 29.700 0.037 0.000 0.916 333 E HN 0.413 nan 8.360 nan 0.000 0.500 334 K N 1.416 121.848 120.400 0.053 0.000 2.185 334 K HA 0.114 4.434 4.320 -0.000 0.000 0.269 334 K C -0.712 175.943 176.600 0.093 0.000 0.987 334 K CA -0.351 55.980 56.287 0.075 0.000 0.865 334 K CB 0.833 33.369 32.500 0.060 0.000 1.090 334 K HN -0.141 nan 8.250 nan 0.000 0.450 335 E N 5.743 126.006 120.200 0.107 0.000 1.924 335 E HA 0.081 4.431 4.350 -0.000 0.000 0.261 335 E C 0.325 177.011 176.600 0.143 0.000 1.088 335 E CA -0.186 56.266 56.400 0.087 0.000 0.909 335 E CB -0.103 29.627 29.700 0.050 0.000 1.112 335 E HN 0.547 nan 8.360 nan 0.000 0.425 336 I N -1.100 119.577 120.570 0.179 0.000 3.728 336 I HA 0.030 4.200 4.170 -0.000 0.000 0.307 336 I C 0.349 176.659 176.117 0.321 0.000 1.276 336 I CA -0.027 61.466 61.300 0.322 0.000 1.285 336 I CB 0.244 38.399 38.000 0.259 0.000 1.038 336 I HN -0.008 nan 8.210 nan 0.000 0.445 337 V N 2.517 122.480 119.914 0.083 0.000 2.293 337 V HA 0.878 4.998 4.120 -0.000 0.000 0.275 337 V C 0.463 176.480 176.094 -0.128 0.000 1.021 337 V CA -0.097 62.165 62.300 -0.063 0.000 0.815 337 V CB 0.230 31.767 31.823 -0.476 0.000 1.025 337 V HN 0.491 nan 8.190 nan 0.000 0.448 338 G N 2.026 110.774 108.800 -0.085 0.000 2.646 338 G HA2 0.430 4.390 3.960 -0.000 0.000 0.291 338 G HA3 0.430 4.390 3.960 -0.000 0.000 0.291 338 G C 0.200 175.059 174.900 -0.068 0.000 1.445 338 G CA 0.178 45.140 45.100 -0.230 0.000 0.814 338 G HN 0.278 nan 8.290 nan 0.000 0.495 339 S N -1.133 114.548 115.700 -0.031 0.000 2.377 339 S HA 0.233 4.703 4.470 -0.000 0.000 0.223 339 S C 0.860 175.501 174.600 0.069 0.000 1.030 339 S CA 0.609 58.845 58.200 0.060 0.000 0.970 339 S CB -0.190 63.063 63.200 0.087 0.000 0.830 339 S HN 0.353 nan 8.310 nan 0.000 0.473 340 I N 1.261 121.788 120.570 -0.072 0.000 2.498 340 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 340 I C -1.279 174.657 176.117 -0.301 0.000 1.032 340 I CA -0.723 60.558 61.300 -0.032 0.000 1.073 340 I CB 1.548 39.536 38.000 -0.020 0.000 1.251 340 I HN 0.055 nan 8.210 nan 0.000 0.426 341 F N 5.677 125.555 119.950 -0.120 0.000 2.421 341 F HA 0.366 4.893 4.527 -0.000 0.000 0.337 341 F C -0.267 175.436 175.800 -0.161 0.000 1.105 341 F CA -0.690 57.089 58.000 -0.369 0.000 1.049 341 F CB 1.418 39.748 39.000 -1.116 0.000 1.139 341 F HN 0.313 nan 8.300 nan 0.000 0.479 342 Y N 2.827 123.106 120.300 -0.035 0.000 2.328 342 Y HA 0.704 5.254 4.550 0.000 0.000 0.336 342 Y C -1.013 175.119 175.900 0.385 0.000 0.960 342 Y CA -1.881 56.335 58.100 0.193 0.000 1.134 342 Y CB 1.499 39.999 38.460 0.067 0.000 1.166 342 Y HN 0.613 nan 8.280 nan 0.000 0.464 343 A N 9.543 132.537 122.820 0.290 0.000 2.709 343 A HA 0.495 4.815 4.320 -0.000 0.000 0.332 343 A C -2.977 174.503 177.584 -0.174 0.000 1.241 343 A CA -1.696 50.374 52.037 0.054 0.000 0.782 343 A CB -0.063 18.997 19.000 0.100 0.000 1.109 343 A HN 0.535 nan 8.150 nan 0.000 0.472 344 P HA 0.041 nan 4.420 nan 0.000 0.271 344 P C -0.715 176.483 177.300 -0.169 0.000 1.218 344 P CA 0.167 63.074 63.100 -0.321 0.000 0.780 344 P CB 0.668 32.089 31.700 -0.465 0.000 0.901 345 Y N 1.615 121.797 120.300 -0.197 0.000 2.301 345 Y HA 0.409 4.959 4.550 -0.000 0.000 0.328 345 Y C 0.405 176.172 175.900 -0.222 0.000 1.242 345 Y CA 0.577 58.562 58.100 -0.192 0.000 1.323 345 Y CB 1.153 39.526 38.460 -0.146 0.000 1.266 345 Y HN 0.385 nan 8.280 nan 0.000 0.527 346 T N 3.885 117.903 114.554 -0.894 0.000 2.912 346 T HA 0.298 4.648 4.350 -0.000 0.000 0.299 346 T C -0.413 173.934 174.700 -0.588 0.000 1.052 346 T CA -0.624 61.131 62.100 -0.575 0.000 0.996 346 T CB 1.302 69.802 68.868 -0.613 0.000 1.070 346 T HN 0.850 nan 8.240 nan 0.000 0.465 347 E N 1.873 121.959 120.200 -0.190 0.000 2.465 347 E HA 0.423 4.773 4.350 -0.000 0.000 0.195 347 E C 0.663 177.249 176.600 -0.024 0.000 1.028 347 E CA -0.118 56.246 56.400 -0.060 0.000 0.899 347 E CB 0.454 30.190 29.700 0.059 0.000 1.032 347 E HN 1.090 nan 8.360 nan 0.000 0.468 348 G N 1.263 110.059 108.800 -0.007 0.000 2.692 348 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 348 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 348 G C -0.410 174.605 174.900 0.192 0.000 1.243 348 G CA -1.040 44.143 45.100 0.138 0.000 0.782 348 G HN 0.133 nan 8.290 nan 0.000 0.625 349 L N 1.133 122.442 121.223 0.143 0.000 2.667 349 L HA -0.015 4.325 4.340 -0.000 0.000 0.278 349 L C 1.930 178.799 176.870 -0.001 0.000 1.217 349 L CA 0.739 55.548 54.840 -0.051 0.000 0.935 349 L CB 0.301 42.267 42.059 -0.154 0.000 1.193 349 L HN 0.853 nan 8.230 nan 0.000 0.493 350 D N 3.473 123.877 120.400 0.007 0.000 2.244 350 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 350 D C 0.919 177.223 176.300 0.007 0.000 1.006 350 D CA 0.795 54.806 54.000 0.017 0.000 0.888 350 D CB 0.130 40.942 40.800 0.019 0.000 0.912 350 D HN 0.355 nan 8.370 nan 0.000 0.452 351 L N 0.342 121.561 121.223 -0.007 0.000 3.721 351 L HA -0.235 4.105 4.340 -0.000 0.000 0.625 351 L C 0.376 177.246 176.870 -0.000 0.000 1.186 351 L CA 1.703 56.539 54.840 -0.007 0.000 0.961 351 L CB -1.306 40.751 42.059 -0.003 0.000 1.418 351 L HN 0.550 nan 8.230 nan 0.000 0.838 352 D N -0.424 119.976 120.400 -0.001 0.000 2.040 352 D HA -0.040 4.600 4.640 -0.000 0.000 0.801 352 D C -0.250 176.051 176.300 0.001 0.000 0.362 352 D CA 0.653 54.655 54.000 0.003 0.000 1.312 352 D CB 0.316 41.121 40.800 0.008 0.000 1.052 352 D HN 0.484 nan 8.370 nan 0.000 0.355 353 D N 1.253 121.652 120.400 -0.001 0.000 2.738 353 D HA 0.264 4.904 4.640 -0.000 0.000 0.218 353 D C -2.688 173.604 176.300 -0.013 0.000 1.345 353 D CA -1.147 52.852 54.000 -0.002 0.000 0.943 353 D CB 2.319 43.123 40.800 0.007 0.000 1.514 353 D HN -0.204 nan 8.370 nan 0.000 0.585 354 P HA 0.095 nan 4.420 nan 0.000 0.250 354 P C -0.693 176.572 177.300 -0.058 0.000 1.198 354 P CA 0.439 63.507 63.100 -0.053 0.000 1.118 354 P CB 0.171 31.843 31.700 -0.047 0.000 1.208 355 E N 2.018 122.177 120.200 -0.069 0.000 2.397 355 E HA 0.202 4.552 4.350 -0.000 0.000 0.293 355 E C -1.438 175.161 176.600 -0.002 0.000 0.930 355 E CA -0.557 55.823 56.400 -0.033 0.000 0.793 355 E CB 0.734 30.450 29.700 0.027 0.000 1.259 355 E HN 0.356 nan 8.360 nan 0.000 0.406 356 H N 2.689 121.769 119.070 0.017 0.000 3.160 356 H HA 0.326 4.882 4.556 -0.000 0.000 0.257 356 H C -0.461 174.873 175.328 0.009 0.000 1.140 356 H CA -0.327 55.717 56.048 -0.008 0.000 1.492 356 H CB 0.456 30.201 29.762 -0.029 0.000 1.529 356 H HN 0.088 nan 8.280 nan 0.000 0.490 357 V N 3.277 123.275 119.914 0.141 0.000 2.472 357 V HA 0.481 4.601 4.120 -0.000 0.000 0.290 357 V C 1.018 177.145 176.094 0.056 0.000 1.037 357 V CA 0.491 62.852 62.300 0.102 0.000 0.908 357 V CB 1.441 33.321 31.823 0.094 0.000 0.985 357 V HN 1.078 nan 8.190 nan 0.000 0.454 358 G N 3.118 111.940 108.800 0.037 0.000 3.819 358 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.210 358 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.210 358 G C 1.071 175.979 174.900 0.013 0.000 1.018 358 G CA 0.635 45.773 45.100 0.063 0.000 0.882 358 G HN 0.962 nan 8.290 nan 0.000 0.377 359 A N -0.003 122.694 122.820 -0.205 0.000 1.978 359 A HA 0.412 4.732 4.320 -0.000 0.000 0.220 359 A C 0.610 177.772 177.584 -0.703 0.000 1.170 359 A CA 1.303 53.027 52.037 -0.522 0.000 0.636 359 A CB -0.468 17.971 19.000 -0.936 0.000 0.810 359 A HN 0.623 nan 8.150 nan 0.000 0.448 360 F N -1.129 118.881 119.950 0.101 0.000 2.507 360 F HA 0.685 5.212 4.527 0.000 0.000 0.325 360 F C 0.040 175.875 175.800 0.059 0.000 1.116 360 F CA -0.840 57.204 58.000 0.073 0.000 0.930 360 F CB 1.932 40.964 39.000 0.053 0.000 1.146 360 F HN -0.141 nan 8.300 nan 0.000 0.447 361 K N 1.457 121.976 120.400 0.197 0.000 2.532 361 K HA 0.743 5.063 4.320 -0.000 0.000 0.265 361 K C -1.738 174.917 176.600 0.091 0.000 0.948 361 K CA -0.925 55.433 56.287 0.119 0.000 0.842 361 K CB 3.198 35.742 32.500 0.074 0.000 1.392 361 K HN 0.333 nan 8.250 nan 0.000 0.436 362 V N 2.625 122.578 119.914 0.065 0.000 2.398 362 V HA 0.535 4.655 4.120 -0.000 0.000 0.286 362 V C -0.019 176.094 176.094 0.031 0.000 1.026 362 V CA -0.723 61.603 62.300 0.043 0.000 0.868 362 V CB 1.071 32.912 31.823 0.031 0.000 0.982 362 V HN 0.627 nan 8.190 nan 0.000 0.443 363 V N 3.232 123.161 119.914 0.025 0.000 3.145 363 V HA 0.814 4.934 4.120 -0.000 0.000 0.311 363 V C -0.495 175.607 176.094 0.014 0.000 1.238 363 V CA -0.799 61.511 62.300 0.018 0.000 1.066 363 V CB 2.258 34.089 31.823 0.015 0.000 1.144 363 V HN 0.474 nan 8.190 nan 0.000 0.465 364 V N 1.233 121.153 119.914 0.011 0.000 2.547 364 V HA 0.457 4.577 4.120 -0.000 0.000 0.299 364 V C -0.584 175.515 176.094 0.008 0.000 1.040 364 V CA -0.164 62.141 62.300 0.009 0.000 0.913 364 V CB 1.302 33.130 31.823 0.008 0.000 0.992 364 V HN 1.020 nan 8.190 nan 0.000 0.449 365 D N 6.010 126.415 120.400 0.008 0.000 2.365 365 D HA 0.269 4.909 4.640 -0.000 0.000 0.237 365 D C -1.185 175.119 176.300 0.006 0.000 1.190 365 D CA -2.087 51.917 54.000 0.007 0.000 0.867 365 D CB 1.647 42.451 40.800 0.008 0.000 1.050 365 D HN 0.274 nan 8.370 nan 0.000 0.491 366 P HA -0.062 nan 4.420 nan 0.000 0.230 366 P C -0.309 176.993 177.300 0.003 0.000 1.158 366 P CA 0.423 63.525 63.100 0.003 0.000 0.769 366 P CB 0.388 32.089 31.700 0.001 0.000 0.807 367 E N 0.935 121.137 120.200 0.003 0.000 2.127 367 E HA 0.302 4.652 4.350 -0.000 0.000 0.262 367 E C -0.274 176.329 176.600 0.005 0.000 1.144 367 E CA -0.099 56.303 56.400 0.003 0.000 1.144 367 E CB -0.259 29.443 29.700 0.003 0.000 1.297 367 E HN 0.161 nan 8.360 nan 0.000 0.469 368 S N -0.439 115.263 115.700 0.005 0.000 2.604 368 S HA 0.147 4.617 4.470 -0.000 0.000 0.296 368 S C 0.034 174.637 174.600 0.006 0.000 1.097 368 S CA -0.786 57.418 58.200 0.006 0.000 0.883 368 S CB 0.179 63.383 63.200 0.007 0.000 1.081 368 S HN 0.112 nan 8.310 nan 0.000 0.448 369 L N 1.080 122.307 121.223 0.006 0.000 2.131 369 L HA 0.135 4.475 4.340 -0.000 0.000 0.210 369 L C 1.466 178.340 176.870 0.007 0.000 1.092 369 L CA 1.717 56.560 54.840 0.006 0.000 0.759 369 L CB -0.389 41.673 42.059 0.006 0.000 0.903 369 L HN 0.738 nan 8.230 nan 0.000 0.435 370 Q N 0.980 120.785 119.800 0.008 0.000 2.307 370 Q HA 0.270 4.610 4.340 -0.000 0.000 0.262 370 Q C -2.245 173.761 176.000 0.009 0.000 0.961 370 Q CA -2.146 53.662 55.803 0.009 0.000 0.882 370 Q CB 1.813 30.558 28.738 0.010 0.000 1.264 370 Q HN -0.006 nan 8.270 nan 0.000 0.446 371 P HA -0.032 nan 4.420 nan 0.000 0.261 371 P C -0.542 176.764 177.300 0.010 0.000 1.203 371 P CA 0.460 63.565 63.100 0.009 0.000 0.767 371 P CB 0.916 32.622 31.700 0.009 0.000 0.785 372 S N 3.165 118.871 115.700 0.010 0.000 2.590 372 S HA 0.557 5.027 4.470 -0.000 0.000 0.282 372 S C 0.414 175.020 174.600 0.010 0.000 1.136 372 S CA -0.567 57.639 58.200 0.010 0.000 1.030 372 S CB 0.394 63.599 63.200 0.010 0.000 1.195 372 S HN 0.342 nan 8.310 nan 0.000 0.506 373 I N 0.961 121.536 120.570 0.008 0.000 2.474 373 I HA 0.557 4.727 4.170 -0.000 0.000 0.294 373 I C 0.425 176.547 176.117 0.009 0.000 1.005 373 I CA -0.403 60.901 61.300 0.007 0.000 1.113 373 I CB 0.763 38.764 38.000 0.002 0.000 1.289 373 I HN 0.695 nan 8.210 nan 0.000 0.436 374 G N 6.114 114.921 108.800 0.012 0.000 2.566 374 G HA2 0.710 4.670 3.960 -0.000 0.000 0.311 374 G HA3 0.710 4.670 3.960 -0.000 0.000 0.311 374 G C -1.172 173.742 174.900 0.024 0.000 1.322 374 G CA -0.525 44.585 45.100 0.016 0.000 0.969 374 G HN 0.418 nan 8.290 nan 0.000 0.490 375 L N 2.255 123.497 121.223 0.033 0.000 2.287 375 L HA 0.407 4.747 4.340 -0.000 0.000 0.287 375 L C -0.502 176.409 176.870 0.069 0.000 1.022 375 L CA -0.934 53.938 54.840 0.054 0.000 0.814 375 L CB 1.748 43.841 42.059 0.056 0.000 1.217 375 L HN 0.334 nan 8.230 nan 0.000 0.420 376 L N 5.550 126.819 121.223 0.076 0.000 2.265 376 L HA 0.478 4.818 4.340 -0.000 0.000 0.288 376 L C -0.550 176.387 176.870 0.112 0.000 1.058 376 L CA 0.011 54.891 54.840 0.066 0.000 0.809 376 L CB 1.422 43.500 42.059 0.032 0.000 1.179 376 L HN 0.285 nan 8.230 nan 0.000 0.429 377 V N 6.223 126.214 119.914 0.128 0.000 2.376 377 V HA 0.550 4.670 4.120 -0.000 0.000 0.287 377 V C -0.103 176.105 176.094 0.190 0.000 1.015 377 V CA -0.628 61.797 62.300 0.208 0.000 0.834 377 V CB 1.173 33.182 31.823 0.311 0.000 1.001 377 V HN 0.697 nan 8.190 nan 0.000 0.428 378 R N 4.790 125.359 120.500 0.116 0.000 2.387 378 R HA 0.792 5.132 4.340 -0.000 0.000 0.314 378 R C -1.326 175.088 176.300 0.191 0.000 0.958 378 R CA -0.682 55.442 56.100 0.041 0.000 0.846 378 R CB 1.910 32.133 30.300 -0.127 0.000 1.147 378 R HN 0.828 nan 8.270 nan 0.000 0.447 379 Y N -1.177 119.124 120.300 0.002 0.000 2.598 379 Y HA 0.572 5.122 4.550 0.000 0.000 0.333 379 Y C -1.831 174.117 175.900 0.080 0.000 1.196 379 Y CA -1.415 56.704 58.100 0.030 0.000 1.145 379 Y CB 0.411 38.920 38.460 0.081 0.000 1.349 379 Y HN 0.643 nan 8.280 nan 0.000 0.469 380 A N 3.286 126.160 122.820 0.089 0.000 2.269 380 A HA 0.855 5.175 4.320 -0.000 0.000 0.319 380 A C -1.274 176.569 177.584 0.431 0.000 1.110 380 A CA -0.747 51.355 52.037 0.110 0.000 0.847 380 A CB 1.459 20.491 19.000 0.053 0.000 1.161 380 A HN 1.189 nan 8.150 nan 0.000 0.497 381 L N 1.738 123.216 121.223 0.426 0.000 2.487 381 L HA 0.323 4.663 4.340 -0.000 0.000 0.261 381 L C -0.269 176.833 176.870 0.386 0.000 1.223 381 L CA 0.213 55.343 54.840 0.483 0.000 0.883 381 L CB 0.356 42.705 42.059 0.484 0.000 1.065 381 L HN 0.841 nan 8.230 nan 0.000 0.488 382 S N 1.803 117.790 115.700 0.479 0.000 2.768 382 S HA 0.975 5.445 4.470 -0.000 0.000 0.300 382 S C -0.025 174.776 174.600 0.335 0.000 1.122 382 S CA 0.308 58.772 58.200 0.440 0.000 0.995 382 S CB 1.957 65.630 63.200 0.789 0.000 1.195 382 S HN 0.751 nan 8.310 nan 0.000 0.547 383 A N 1.434 124.396 122.820 0.238 0.000 2.387 383 A HA 0.634 4.954 4.320 -0.000 0.000 0.303 383 A C -0.699 176.778 177.584 -0.177 0.000 1.145 383 A CA -0.798 51.317 52.037 0.130 0.000 0.801 383 A CB 0.726 19.749 19.000 0.039 0.000 1.342 383 A HN 0.752 nan 8.150 nan 0.000 0.440 384 N N 0.615 119.153 118.700 -0.270 0.000 2.401 384 N HA 0.233 4.973 4.740 -0.000 0.000 0.255 384 N C -1.989 173.170 175.510 -0.585 0.000 1.110 384 N CA -1.767 50.806 53.050 -0.795 0.000 0.949 384 N CB 1.114 39.358 38.487 -0.404 0.000 1.110 384 N HN 0.121 nan 8.380 nan 0.000 0.490 385 P HA -0.150 nan 4.420 nan 0.000 0.216 385 P C 0.248 177.294 177.300 -0.423 0.000 1.157 385 P CA 1.499 64.273 63.100 -0.543 0.000 0.880 385 P CB -0.066 31.248 31.700 -0.645 0.000 0.791 386 Y N -0.580 119.512 120.300 -0.348 0.000 2.506 386 Y HA -0.010 4.540 4.550 -0.000 0.000 0.335 386 Y C 1.711 177.526 175.900 -0.141 0.000 1.218 386 Y CA 0.868 58.855 58.100 -0.188 0.000 1.260 386 Y CB -1.628 36.751 38.460 -0.135 0.000 1.085 386 Y HN 0.096 nan 8.280 nan 0.000 0.495 387 T N -4.931 109.583 114.554 -0.067 0.000 3.060 387 T HA 0.088 4.438 4.350 -0.000 0.000 0.249 387 T C 1.294 175.966 174.700 -0.048 0.000 1.079 387 T CA 0.796 62.873 62.100 -0.039 0.000 1.013 387 T CB -0.436 68.402 68.868 -0.049 0.000 0.975 387 T HN 0.249 nan 8.240 nan 0.000 0.518 388 V N -2.383 117.479 119.914 -0.087 0.000 3.177 388 V HA 0.674 4.794 4.120 -0.000 0.000 0.219 388 V C 1.211 177.242 176.094 -0.105 0.000 1.344 388 V CA -0.211 62.038 62.300 -0.084 0.000 1.324 388 V CB -0.720 31.047 31.823 -0.093 0.000 1.165 388 V HN 0.385 nan 8.190 nan 0.000 0.510 389 A N 3.867 126.575 122.820 -0.186 0.000 2.505 389 A HA 0.315 4.635 4.320 -0.000 0.000 0.271 389 A C 1.567 179.069 177.584 -0.138 0.000 1.112 389 A CA 0.373 52.278 52.037 -0.221 0.000 0.781 389 A CB 0.091 18.835 19.000 -0.426 0.000 1.059 389 A HN 0.618 nan 8.150 nan 0.000 0.508 390 K N 3.014 123.374 120.400 -0.067 0.000 2.031 390 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 390 K C 0.015 176.632 176.600 0.029 0.000 1.049 390 K CA 1.242 57.525 56.287 -0.006 0.000 0.939 390 K CB -0.512 31.985 32.500 -0.005 0.000 0.717 390 K HN 0.768 nan 8.250 nan 0.000 0.438 391 D N 0.783 121.186 120.400 0.004 0.000 2.277 391 D HA 0.018 4.658 4.640 -0.000 0.000 0.250 391 D C 0.627 176.960 176.300 0.054 0.000 1.032 391 D CA -0.521 53.502 54.000 0.038 0.000 0.947 391 D CB 1.698 42.510 40.800 0.018 0.000 1.159 391 D HN -0.005 nan 8.370 nan 0.000 0.460 392 E N 0.756 121.031 120.200 0.125 0.000 2.268 392 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 392 E C 1.060 177.710 176.600 0.083 0.000 0.995 392 E CA 0.907 57.423 56.400 0.194 0.000 0.836 392 E CB 0.126 29.939 29.700 0.189 0.000 0.763 392 E HN 0.435 nan 8.360 nan 0.000 0.491 393 K N 0.062 120.485 120.400 0.038 0.000 2.365 393 K HA -0.047 4.273 4.320 -0.000 0.000 0.197 393 K C 1.960 178.547 176.600 -0.022 0.000 1.042 393 K CA 0.651 56.946 56.287 0.013 0.000 0.987 393 K CB 0.126 32.633 32.500 0.012 0.000 0.779 393 K HN 0.095 nan 8.250 nan 0.000 0.484 394 E N 0.650 120.820 120.200 -0.051 0.000 2.299 394 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 394 E C 1.650 178.161 176.600 -0.148 0.000 0.998 394 E CA 0.354 56.702 56.400 -0.087 0.000 0.851 394 E CB 0.154 29.800 29.700 -0.091 0.000 0.795 394 E HN 0.276 nan 8.360 nan 0.000 0.492 395 A N 0.861 123.554 122.820 -0.212 0.000 2.067 395 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 395 A C 1.998 179.494 177.584 -0.146 0.000 1.158 395 A CA 0.816 52.654 52.037 -0.331 0.000 0.661 395 A CB -0.151 18.518 19.000 -0.551 0.000 0.801 395 A HN -0.021 nan 8.150 nan 0.000 0.452 396 R N -0.137 120.324 120.500 -0.066 0.000 2.568 396 R HA 0.434 4.774 4.340 -0.000 0.000 0.288 396 R C 0.385 176.666 176.300 -0.032 0.000 1.077 396 R CA 0.075 56.161 56.100 -0.023 0.000 1.102 396 R CB -0.872 29.431 30.300 0.006 0.000 1.278 396 R HN 0.586 nan 8.270 nan 0.000 0.560 397 I N -0.874 119.662 120.570 -0.056 0.000 4.607 397 I HA 0.191 4.361 4.170 -0.000 0.000 0.324 397 I C 0.499 176.582 176.117 -0.057 0.000 1.279 397 I CA -0.085 61.186 61.300 -0.048 0.000 1.286 397 I CB 0.420 38.390 38.000 -0.050 0.000 1.265 397 I HN -0.049 nan 8.210 nan 0.000 0.446 398 I N -1.803 118.716 120.570 -0.085 0.000 2.493 398 I HA 0.531 4.701 4.170 -0.000 0.000 0.298 398 I C -1.077 174.985 176.117 -0.092 0.000 0.998 398 I CA -0.500 60.745 61.300 -0.091 0.000 1.137 398 I CB 2.157 40.085 38.000 -0.121 0.000 1.310 398 I HN -0.126 nan 8.210 nan 0.000 0.445 399 D N 3.502 123.866 120.400 -0.059 0.000 2.217 399 D HA 0.314 4.954 4.640 -0.000 0.000 0.248 399 D C 0.844 177.115 176.300 -0.049 0.000 1.008 399 D CA -0.303 53.682 54.000 -0.025 0.000 0.914 399 D CB 2.574 43.381 40.800 0.011 0.000 1.182 399 D HN 0.870 nan 8.370 nan 0.000 0.451 400 G N 1.398 110.184 108.800 -0.025 0.000 2.430 400 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 400 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 400 G C 1.183 176.114 174.900 0.052 0.000 1.146 400 G CA 0.657 45.719 45.100 -0.064 0.000 0.793 400 G HN 0.544 nan 8.290 nan 0.000 0.537 401 G N -0.387 108.480 108.800 0.112 0.000 2.920 401 G HA2 0.069 4.029 3.960 -0.000 0.000 0.208 401 G HA3 0.069 4.029 3.960 -0.000 0.000 0.208 401 G C 0.475 175.405 174.900 0.049 0.000 1.159 401 G CA 0.088 45.252 45.100 0.107 0.000 0.784 401 G HN 0.341 nan 8.290 nan 0.000 0.535 408 G N 1.440 110.231 108.800 -0.014 0.000 2.799 408 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.200 408 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.200 408 G C 0.368 175.273 174.900 0.007 0.000 1.206 408 G CA 0.152 45.250 45.100 -0.003 0.000 0.827 408 G HN 1.123 nan 8.290 nan 0.000 0.511 409 R N 0.798 121.298 120.500 -0.000 0.000 2.295 409 R HA 0.735 5.075 4.340 -0.000 0.000 0.324 409 R C 0.478 176.781 176.300 0.005 0.000 0.968 409 R CA 0.494 56.597 56.100 0.005 0.000 0.837 409 R CB 1.545 31.844 30.300 -0.003 0.000 1.133 409 R HN 0.256 nan 8.270 nan 0.000 0.450 410 S N 2.015 117.727 115.700 0.019 0.000 3.102 410 S HA 0.088 4.558 4.470 -0.000 0.000 0.265 410 S C 0.093 174.711 174.600 0.030 0.000 1.072 410 S CA 0.506 58.722 58.200 0.027 0.000 0.946 410 S CB 0.356 63.578 63.200 0.036 0.000 0.901 410 S HN 0.890 nan 8.310 nan 0.000 0.437 411 D N 0.619 121.040 120.400 0.036 0.000 3.031 411 D HA -0.161 4.479 4.640 -0.000 0.000 0.180 411 D C 0.695 177.013 176.300 0.031 0.000 1.571 411 D CA 1.551 55.576 54.000 0.041 0.000 2.057 411 D CB -1.269 39.544 40.800 0.021 0.000 1.356 411 D HN 0.379 nan 8.370 nan 0.000 0.442 412 L N 0.786 122.020 121.223 0.018 0.000 2.675 412 L HA 0.179 4.519 4.340 -0.000 0.000 0.238 412 L C 0.445 177.303 176.870 -0.020 0.000 1.155 412 L CA 1.148 55.986 54.840 -0.003 0.000 0.881 412 L CB -0.639 41.419 42.059 -0.001 0.000 1.008 412 L HN -0.017 nan 8.230 nan 0.000 0.443 413 S N -0.787 114.913 115.700 0.000 0.000 2.535 413 S HA 0.604 5.074 4.470 -0.000 0.000 0.272 413 S C -0.636 173.967 174.600 0.005 0.000 1.149 413 S CA -0.703 57.494 58.200 -0.006 0.000 0.888 413 S CB 3.015 66.266 63.200 0.084 0.000 1.110 413 S HN -0.049 nan 8.310 nan 0.000 0.463 414 V N 1.233 121.136 119.914 -0.018 0.000 2.686 414 V HA 0.799 4.919 4.120 -0.000 0.000 0.306 414 V C -0.910 175.189 176.094 0.009 0.000 1.065 414 V CA -0.823 61.471 62.300 -0.010 0.000 0.894 414 V CB 1.448 33.233 31.823 -0.062 0.000 1.004 414 V HN 0.856 nan 8.190 nan 0.000 0.424 415 L N 4.954 126.206 121.223 0.048 0.000 2.317 415 L HA 0.829 5.169 4.340 -0.000 0.000 0.281 415 L C -1.084 175.842 176.870 0.094 0.000 1.024 415 L CA -0.865 54.030 54.840 0.091 0.000 0.810 415 L CB 1.662 43.754 42.059 0.055 0.000 1.240 415 L HN 0.856 nan 8.230 nan 0.000 0.427 416 L N 4.320 125.608 121.223 0.108 0.000 2.356 416 L HA 0.731 5.071 4.340 -0.000 0.000 0.277 416 L C -0.043 176.912 176.870 0.143 0.000 0.996 416 L CA 0.008 54.918 54.840 0.117 0.000 0.822 416 L CB 1.729 43.783 42.059 -0.008 0.000 1.256 416 L HN 0.621 nan 8.230 nan 0.000 0.413 417 G N 4.132 113.017 108.800 0.141 0.000 2.395 417 G HA2 0.559 4.519 3.960 -0.000 0.000 0.283 417 G HA3 0.559 4.519 3.960 -0.000 0.000 0.283 417 G C -1.202 173.770 174.900 0.120 0.000 1.178 417 G CA -0.323 44.834 45.100 0.096 0.000 0.837 417 G HN 0.522 nan 8.290 nan 0.000 0.518 418 V N 1.558 121.526 119.914 0.091 0.000 2.823 418 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 418 V C -0.169 175.956 176.094 0.052 0.000 1.072 418 V CA -1.015 61.324 62.300 0.066 0.000 0.937 418 V CB 2.206 34.055 31.823 0.042 0.000 1.013 418 V HN 0.783 nan 8.190 nan 0.000 0.430 419 K N 3.954 124.379 120.400 0.041 0.000 2.450 419 K HA 0.766 5.086 4.320 -0.000 0.000 0.257 419 K C -1.584 175.042 176.600 0.045 0.000 0.953 419 K CA -0.467 55.837 56.287 0.028 0.000 0.844 419 K CB 1.134 33.626 32.500 -0.014 0.000 1.103 419 K HN 0.616 nan 8.250 nan 0.000 0.429 420 L N 4.541 125.799 121.223 0.060 0.000 2.301 420 L HA 0.569 4.909 4.340 -0.000 0.000 0.264 420 L C -1.815 175.117 176.870 0.103 0.000 1.016 420 L CA -2.335 52.551 54.840 0.077 0.000 0.821 420 L CB 1.389 43.482 42.059 0.058 0.000 1.346 420 L HN 0.575 nan 8.230 nan 0.000 0.429 421 P HA 0.117 nan 4.420 nan 0.000 0.248 421 P C -0.866 176.479 177.300 0.075 0.000 1.331 421 P CA 0.290 63.453 63.100 0.106 0.000 0.699 421 P CB 0.323 32.069 31.700 0.077 0.000 1.196 422 K N 0.000 120.430 120.400 0.050 0.000 2.780 422 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 422 K CA 0.000 56.309 56.287 0.037 0.000 0.838 422 K CB 0.000 32.518 32.500 0.030 0.000 1.064 422 K HN 0.000 nan 8.250 nan 0.000 0.543